*HEADER    ELECTRON TRANSPORT                      12-MAY-06   2GZZ              
*TITLE     SOLUTION STRUCTURES OF THE OXIDIZED FORM OF THIOREDOXIN               
*TITLE    2 FROM BACILLUS SUBTILIS                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THIOREDOXIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TRX;                                                        
*COMPND   5 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_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    ALPHA/BETA                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.XU, X.ZHANG, J.CHEN, C.JIN                                          
*REVDAT   1   13-FEB-07 2GZZ    0                                                


#
# 0 AMB  10-2:1013     0 AMB  10-1:1013   4.50    (#   1013:10  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=  54, 563, 564,
 igr2= 805, 789,
 &end
#
# 0 AMB  10-2:1016     0 AMB  10-1:1016   3.50    (#   1016:10  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 780, 781,  56,  57,  58,  60,  61,  62,  56,  57,
        58,  60,  61,  62,1128,1129,1130,1132,1133,1134,
      
 igr2= 789, 805,
 &end
#
# 0 AMB  10-2:1079     0 AMB  10-1:1079   3.50    (#   1079:10  Double Ambig)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 934,1250,
 igr2= 947,1192,
 &end
#
# 0 AMB  10-2:118      0 AMB  10-1:118    2.80    (#    118:10  Double Ambig)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 776, 777, 778, 277, 278, 279, 281, 282, 283, 296,
       297, 298, 300, 301, 302,
 igr2= 789, 805,
 &end
#
# 23 ASP  HN            0 AMB  10-1:126    3.50    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 789, 805,
 &end
#
# 0 AMB  10-2:1274     0 AMB  10-1:1274   5.50    (#   1274:10  Double Ambig)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1472,1473,1489,1490,
 igr2=1541,1542,1541,1542,
 &end
#
# 0 AMB  10-2:1276     0 AMB  10-1:1276   4.50    (#   1276:10  Double Ambig)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 682, 683, 684,1469,1470,1520,
 igr2=1541,1542,1541,1542,1541,1542,
 &end
#
# 0 AMB  10-2:128      0 AMB  10-1:128    2.80    (#    128:10  Double Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 791, 772, 807,
 igr2= 805, 789,
 &end
#
# 0 AMB  10-2:1298     0 AMB  10-1:1298   3.50    (#   1298:10  Double Ambig)
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 890, 891, 850, 851,
 igr2= 910, 911, 910, 911,
 &end
#
# 0 AMB  10-2:130      0 AMB  10-1:130    2.80    (#    130:10  Double Ambig)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=  37,  38,  39, 277, 278, 279, 281, 282, 283, 568,
       569, 570, 572, 573, 574, 568, 569, 570, 572, 573,
       574,
 igr2= 805, 789,
 &end
#
# 0 AMB  10-2:131      0 AMB  10-1:131    2.80    (#    131:10  Double Ambig)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 789, 805,
 &end
#
# 0 AMB  10-2:228      0 AMB  10-1:228    2.80    (#    228:10  Double Ambig)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 308,1140,
 igr2= 316,1309,
 &end
#
# 0 AMB  10-2:301      0 AMB  10-1:301    2.80    (#    301:10  Double Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 936, 937,1237,1238,
 igr2= 947,1192,
 &end
#
# 0 AMB  10-2:551      0 AMB  10-1:551    5.50    (#    551:10  Double Ambig)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 922, 923, 131, 132,
 igr2= 927, 928, 136, 137,
 &end
#
# 0 AMB  10-2:581      0 AMB  10-1:581    2.80    (#    581:10  Double Ambig)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1338,1339, 453, 447,
 igr2=1336, 451,
 &end
#
# 0 AMB  10-2:582      0 AMB  10-1:582    3.50    (#    582:10  Double Ambig)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 444, 445,1095,1096,1095,1096, 468, 469,
 igr2= 451,1336,
 &end
#
# 0 AMB  10-2:583      0 AMB  10-1:583    2.80    (#    583:10  Double Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1092,1093, 456,
 igr2= 451,1336,
 &end
#
# 0 AMB  10-2:590      0 AMB  10-1:590    4.50    (#    590:10  Double Ambig)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1472,1473,1428,1429,
 igr2=1477,1478,1477,1478,
 &end
#
# 0 AMB  10-2:69       0 AMB  10-1:69     2.80    (#     69:10  Double Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 755, 756, 291, 292,
 igr2= 770, 287,
 &end
#
# 0 AMB  10-2:70       0 AMB  10-1:70     2.80    (#     70:10  Double Ambig)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 738, 739, 740, 742, 743, 744, 277, 278, 279, 281,
       282, 283, 783, 784, 785,  41,  42, 261, 262, 263,
       265, 266, 267,
 igr2= 287, 770,
 &end
#
# 0 AMB  10-2:71       0 AMB  10-1:71     2.80    (#     71:10  Double Ambig)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 273, 772,
 igr2= 287, 770,
 &end
#
# 0 AMB  10-2:72       0 AMB  10-1:72     2.80    (#     72:10  Double Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
       301, 302,
 igr2= 287, 770,
 &end
#
# 51 LYS  HN            0 AMB  10-1:770    3.50    (#    770:10  Single Ambig)
 &rst
  ixpk= 770, nxpk= 10, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 287, 770,
 &end
#
# 0 AMB  10-2:774      0 AMB  10-1:774    4.50    (#    774:10  Double Ambig)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 770, 287,
 &end
#
# 0 AMB  10-2:792      0 AMB  10-1:792    4.50    (#    792:10  Double Ambig)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
       573, 574,1145,1034,1035,1036,1038,1039,1040, 277,
       278, 279, 281, 282, 283,
 igr2= 316,1309,
 &end
#
# 0 AMB  10-2:793      0 AMB  10-1:793    4.50    (#    793:10  Double Ambig)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 296, 297, 298, 300, 301, 302, 776, 777, 778,1506,
      1507,1508,1510,1511,1512,
 igr2= 316,1309,
 &end
#
# 0 AMB  10-2:794      0 AMB  10-1:794    5.50    (#    794:10  Double Ambig)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1123,1124, 812, 813, 294,
 igr2=1309, 316,
 &end
#
# 0 AMB  10-2:799      0 AMB  10-1:799    4.50    (#    799:10  Double Ambig)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 827,1138,
 igr2= 316,1309,
 &end
#
# 0 AMB  10-2:847      0 AMB  10-1:847    5.50    (#    847:10  Double Ambig)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 424,1376,1377,
 igr2= 451,1336,
 &end
#
# 0 AMB  10-2:854      0 AMB  10-1:854    3.50    (#    854:10  Double Ambig)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1324,1098,1099,1098,1099,
 igr2=1336, 451,
 &end
#
# 0 AMB  10-2:1000    96 LEU  HN          5.50    (#   1000:10  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1469,1470,1425,1426,1520,
 &end
#
# 0 AMB  10-2:1001    96 LEU  HN          5.50    (#   1001:10  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1469,1470,1486,1487,
 &end
#
# 0 AMB  10-2:1002    96 LEU  HN          4.50    (#   1002:10  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1370,1371,1367,1368,
 &end
#
# 0 AMB  10-2:1003    96 LEU  HN          5.50    (#   1003:10  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 549, 550, 551, 553, 554, 555,1506,1507,1508,1510,
      1511,1512,1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  10-2:1004    96 LEU  HN          4.50    (#   1004:10  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  10-2:1005    51 LYS  HN          4.50    (#   1005:10  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  10-2:1010    83 VAL  HN          5.50    (#   1010:10  Single Ambig)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1233,1280,
 &end
#
# 0 AMB  10-2:1018    83 VAL  HN          5.50    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1180,1177,1178,
 &end
#
# 0 AMB  10-2:1024    55 ILE  HN          5.50    (#   1024:10  Single Ambig)
 &rst
  ixpk= 1024, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 840, 841, 842, 376, 377, 378,
 &end
#
# 0 AMB  10-2:1025    55 ILE  HN          5.50    (#   1025:10  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 837, 838, 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  10-2:1026    55 ILE  HN          3.50    (#   1026:10  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 831, 812, 813, 310, 311, 312,
 &end
#
# 0 AMB  10-2:1029    55 ILE  HN          5.50    (#   1029:10  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 320, 321, 818, 819, 850, 851,
 &end
#
# 0 AMB  10-2:1030    55 ILE  HN          4.50    (#   1030:10  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 320, 321, 905, 906,
 &end
#
# 0 AMB  10-2:1034    56 ASP  HN          4.50    (#   1034:10  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 831, 864, 865, 866, 868, 869, 870,
 &end
#
# 0 AMB  10-2:1038    56 ASP  HN          5.50    (#   1038:10  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 840, 841, 842, 376, 377, 378,
 &end
#
# 0 AMB  10-2:1039    56 ASP  HN          5.50    (#   1039:10  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 890, 891,  76,  77, 809, 810,
 &end
#
# 0 AMB  10-2:104     51 LYS  HN          3.50    (#    104:10  Single Ambig)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 287, 770,
 &end
#
# 0 AMB  10-2:1047    57 VAL  HN          5.50    (#   1047:10  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 851, 922, 923,
 &end
#
# 0 AMB  10-2:1048    57 VAL  HN          4.50    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 376, 377, 378,1085,1086,1087,
 &end
#
# 0 AMB  10-2:1053    58 ASP  HN          5.50    (#   1053:10  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 862, 893, 894,
 &end
#
# 0 AMB  10-2:1054    58 ASP  HN          5.50    (#   1054:10  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 851, 922, 923,
 &end
#
# 0 AMB  10-2:1055    58 ASP  HN          3.50    (#   1055:10  Single Ambig)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 860, 848,
 &end
#
# 0 AMB  10-2:1059    59 GLU  HN          4.50    (#   1059:10  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851, 922, 923,
 &end
#
# 0 AMB  10-2:1068    60 ASN  HN          5.50    (#   1068:10  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 862, 893, 894,
 &end
#
# 0 AMB  10-2:1069    60 ASN  HN          3.50    (#   1069:10  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 890, 891, 850, 851, 893, 894,
 &end
#
# 0 AMB  10-2:1071    61 GLN  HN          4.50    (#   1071:10  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 905, 906, 116, 117,
 &end
#
# 0 AMB  10-2:1075    62 GLU  HN          4.50    (#   1075:10  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 905, 906, 116, 117,
 &end
#
# 0 AMB  10-2:1076    62 GLU  HN          5.50    (#   1076:10  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 905, 906, 922, 923,
 &end
#
# 0 AMB  10-2:1081    79 LYS  HN          3.50    (#   1081:10  Single Ambig)
 &rst
  ixpk= 1081, nxpk= 10, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1264,1214,
 &end
#
# 0 AMB  10-2:109     51 LYS  HN          2.80    (#    109:10  Single Ambig)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
       743, 744,
 &end
#
# 0 AMB  10-2:1093    66 LYS  HN          4.50    (#   1093:10  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 988, 989, 965, 966, 967,
 &end
#
# 0 AMB  10-2:1094    66 LYS  HN          5.50    (#   1094:10  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 939, 940,1004,1005,
 &end
#
# 0 AMB  10-2:1099    67 TYR  HN          3.50    (#   1099:10  Single Ambig)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 980, 973, 974,
 &end
#
# 0 AMB  10-2:1102    67 TYR  HN          5.50    (#   1102:10  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 988, 989, 965, 966, 967,
 &end
#
# 0 AMB  10-2:1104    67 TYR  HN          4.50    (#   1104:10  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 985, 986,1145,
 &end
#
# 0 AMB  10-2:1111    69 VAL  HN          4.50    (#   1111:10  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1000,1008,1017,
 &end
#
# 0 AMB  10-2:1113    69 VAL  HN          5.50    (#   1113:10  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1004,1005,1048,1049,
 &end
#
# 0 AMB  10-2:1129    72 ILE  HN          4.50    (#   1129:10  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1085,1086,1087, 376, 377, 378,
 &end
#
# 0 AMB  10-2:1132    72 ILE  HN          5.50    (#   1132:10  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1326,1327,1328,1330,1331,1332, 864, 865, 866, 868,
       869, 870,
 &end
#
# 0 AMB  10-2:1141    74 THR  HN          5.50    (#   1141:10  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1128,1129,1130,1132,1133,1134,1326,1327,1328,1330,
      1331,1332,
 &end
#
# 0 AMB  10-2:1144    75 LEU  HN          3.50    (#   1144:10  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1128,1129,1130,1132,1133,1134,1326,1327,1328,1330,
      1331,1332,
 &end
#
# 0 AMB  10-2:1146    75 LEU  HN          5.50    (#   1146:10  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1313,1314, 332, 333,
 &end
#
# 0 AMB  10-2:1157    76 LEU  HN          5.50    (#   1157:10  Single Ambig)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1159,1107,
 &end
#
# 0 AMB  10-2:1158    76 LEU  HN          2.80    (#   1158:10  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 296, 297, 298, 300, 301, 302,1182,1183,1184,1186,
      1187,1188,1182,1183,1184,1186,1187,1188,
 &end
#
# 0 AMB  10-2:1159    76 LEU  HN          2.80    (#   1159:10  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1147,1148,1149,1151,1152,1153,1128,1129,1130,1132,
      1133,1134,
 &end
#
# 0 AMB  10-2:1160    76 LEU  HN          4.50    (#   1160:10  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1111,1112,1113,1301,1302,1303,
 &end
#
# 0 AMB  10-2:1161    76 LEU  HN          3.50    (#   1161:10  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1123,1124, 294,
 &end
#
# 0 AMB  10-2:1163    77 VAL  HN          5.50    (#   1163:10  Single Ambig)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1301,1302,1303, 261, 262, 263, 265, 266, 267,1111,
      1112,1113,
 &end
#
# 0 AMB  10-2:1164    77 VAL  HN          5.50    (#   1164:10  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1254,1255,1256,1258,1259,1260, 310, 311, 312,
 &end
#
# 0 AMB  10-2:1171    77 VAL  HN          5.50    (#   1171:10  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1138,1248,
 &end
#
# 0 AMB  10-2:1176    80 ASP  HN          4.50    (#   1176:10  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 275,1202,1203, 237, 238, 711, 712,
 &end
#
# 0 AMB  10-2:1178    81 GLY  HN          4.50    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1182,1183,1184,1186,1187,1188, 277, 278, 279, 281,
       282, 283,
 &end
#
# 0 AMB  10-2:1188    82 GLU  HN          5.50    (#   1188:10  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 224,1250, 226, 227,
 &end
#
# 0 AMB  10-2:1191    82 GLU  HN          3.50    (#   1191:10  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1177,1178,1180,
 &end
#
# 0 AMB  10-2:1192    82 GLU  HN          4.50    (#   1192:10  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1182,1183,1184,1186,1187,1188, 277, 278, 279, 281,
       282, 283,
 &end
#
# 0 AMB  10-2:1198    84 VAL  HN          4.50    (#   1198:10  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1180,1177,1178,
 &end
#
# 0 AMB  10-2:1202    84 VAL  HN          4.50    (#   1202:10  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1163,1164,1165,1167,1168,1169,1182,1183,1184,1186,
      1187,1188,
 &end
#
# 0 AMB  10-2:1203    86 THR  HN          4.50    (#   1203:10  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
      1259,1260,
 &end
#
# 0 AMB  10-2:1204    86 THR  HN          4.50    (#   1204:10  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1301,1302,1303,1111,1112,1113,
 &end
#
# 0 AMB  10-2:1209    88 VAL  HN          5.50    (#   1209:10  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1111,1112,1113,1301,1302,1303,
 &end
#
# 0 AMB  10-2:1213    90 PHE  HN          5.50    (#   1213:10  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 513, 514, 515,1326,1327,1328,1330,1331,1332,1128,
      1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  10-2:1214    90 PHE  HN          4.50    (#   1214:10  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1095,1096, 444, 445,
 &end
#
# 0 AMB  10-2:1219    90 PHE  HN          5.50    (#   1219:10  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1336, 451,
 &end
#
# 0 AMB  10-2:1222    91 LYS  HN          3.50    (#   1222:10  Single Ambig)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1367,1368,1453,
 &end
#
# 0 AMB  10-2:1225    91 LYS  HN          5.50    (#   1225:10  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 &end
#
# 0 AMB  10-2:1226    93 LYS  HN          4.50    (#   1226:10  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1409,1410, 615,
 &end
#
# 0 AMB  10-2:123     36 ALA  HN          4.50    (#    123:10  Single Ambig)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 504, 533, 534, 487, 488,
 &end
#
# 0 AMB  10-2:1232    94 GLU  HN          4.50    (#   1232:10  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1440,1441,1442,1453,1367,1368,
 &end
#
# 0 AMB  10-2:1233    94 GLU  HN          4.80    (#   1233:10  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1409,1410, 615,
 &end
#
# 0 AMB  10-2:1235    99 LEU  HN          3.50    (#   1235:10  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1506,1507,1508,1510,1511,1512, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  10-2:1237    99 LEU  HN          5.50    (#   1237:10  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1440,1441,1442,1550,1551,1453,1367,1368,
 &end
#
# 0 AMB  10-2:1238    99 LEU  HN          4.50    (#   1238:10  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1489,1490,1472,1473,
 &end
#
# 0 AMB  10-2:1239    99 LEU  HN          5.50    (#   1239:10  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,1287,1288,
 &end
#
# 0 AMB  10-2:1244   100 VAL  HN          3.50    (#   1244:10  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1499,1484,
 &end
#
# 0 AMB  10-2:1246   100 VAL  HN          5.50    (#   1246:10  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,1559,1560,
 &end
#
# 0 AMB  10-2:1247   100 VAL  HN          3.50    (#   1247:10  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 617, 618, 619, 621, 622, 623, 296, 297, 298, 300,
       301, 302,1163,1164,1165,1167,1168,1169,
 &end
#
# 0 AMB  10-2:1255   103 HIS  HN          4.50    (#   1255:10  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1592,1202,1203,
 &end
#
# 0 AMB  10-2:1256   103 HIS  HN          3.50    (#   1256:10  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1550,1551,1589,1590,
 &end
#
# 0 AMB  10-2:1259   103 HIS  HN          5.50    (#   1259:10  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1594,1595,1596,1598,1599,1600,1270,1271,1272,1274,
      1275,1276,
 &end
#
# 0 AMB  10-2:1262   103 HIS  HN          4.50    (#   1262:10  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1499,
 &end
#
# 0 AMB  10-2:1271   104 LEU  HN          5.50    (#   1271:10  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262, 263, 265, 266, 267,1522,1523,1524,1526,
      1527,1528,
 &end
#
# 0 AMB  10-2:1285   101 ASN  HD2-        5.50    (#   1285:10  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1472,1473,1489,1490,
 igr2=1541,1542,
 &end
#
# 0 AMB  10-2:1286   101 ASN  HD2-        3.50    (#   1286:10  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 682, 683, 684,1469,1470,1520,
 igr2=1541,1542,
 &end
#
# 0 AMB  10-2:1289    60 ASN  HD2-        5.50    (#   1289:10  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 112,  88,
 igr2= 910, 911,
 &end
#
# 0 AMB  10-2:1299    60 ASN  HD2-        3.50    (#   1299:10  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 890, 891, 850, 851,
 igr2= 910, 911,
 &end
#
# 0 AMB  10-2:132     54 LYS  HN          2.80    (#    132:10  Single Ambig)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 809, 810,  73,  74,
 &end
#
# 0 AMB  10-2:146     66 LYS  HN          2.80    (#    146:10  Single Ambig)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1000,1008,1017,
 &end
#
# 0 AMB  10-2:147     66 LYS  HN          2.80    (#    147:10  Single Ambig)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 980, 973, 974,
 &end
#
# 0 AMB  10-2:151     19 VAL  HN          3.50    (#    151:10  Single Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 257,1194,
 &end
#
# 0 AMB  10-2:156     19 VAL  HN          3.50    (#    156:10  Single Ambig)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
       282, 283,
 &end
#
# 0 AMB  10-2:174     62 GLU  HN          2.80    (#    174:10  Single Ambig)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 939, 940, 919, 920,
 &end
#
# 0 AMB  10-2:185     64 ALA  HN          2.80    (#    185:10  Single Ambig)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 963, 949,
 &end
#
# 0 AMB  10-2:197     55 ILE  HN          2.80    (#    197:10  Single Ambig)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 807, 330,
 &end
#
# 29 CYS  HB3         29 CYS  HN          2.80    (#    205:10  Unique)
 &rst
  ixpk= 205, nxpk= 10, iat= 425, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 0 AMB  10-2:211     84 VAL  HN          2.80    (#    211:10  Single Ambig)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1270,1271,1272,1274,1275,1276,1254,1255,1256,1258,
      1259,1260,
 &end
#
# 0 AMB  10-2:217     77 VAL  HN          2.80    (#    217:10  Single Ambig)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
      1259,1260,
 &end
#
# 0 AMB  10-2:218     77 VAL  HN          2.80    (#    218:10  Single Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1163,1164,1165,1167,1168,1169,1182,1183,1184,1186,
      1187,1188,1182,1183,1184,1186,1187,1188,
 &end
#
# 0 AMB  10-2:225     95 ALA  HN          2.80    (#    225:10  Single Ambig)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1440,1441,1442,1367,1368,
 &end
#
# 0 AMB  10-2:229     23 ASP  HN          2.80    (#    229:10  Single Ambig)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 807, 318,
 &end
#
# 0 AMB  10-2:232     23 ASP  HN          3.50    (#    232:10  Single Ambig)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 310, 311, 312, 812, 813,
 &end
#
# 0 AMB  10-2:238     82 GLU  HN          5.50    (#    238:10  Single Ambig)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1214,1264,
 &end
#
# 0 AMB  10-2:243     87 SER  HN          2.80    (#    243:10  Single Ambig)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1301,1302,1303,1111,1112,1113,
 &end
#
# 0 AMB  10-2:244     87 SER  HN          2.80    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1297,1311,
 &end
#
# 0 AMB  10-2:248     93 LYS  HN          3.50    (#    248:10  Single Ambig)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1392,1393,1428,1429,
 &end
#
# 0 AMB  10-2:252     93 LYS  HN          2.80    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 549, 550, 551, 553, 554, 555,1406,1407,
 &end
#
# 0 AMB  10-2:259     76 LEU  HN          3.50    (#    259:10  Single Ambig)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1140, 289, 308,
 &end
#
# 0 AMB  10-2:265      8 ASP  HN          2.80    (#    265:10  Single Ambig)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 116, 117, 905, 906,
 &end
#
# 0 AMB  10-2:266      8 ASP  HN          3.50    (#    266:10  Single Ambig)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 104, 105, 106,  92,  93,  94,
 &end
#
# 0 AMB  10-2:268     41 GLU  HN          5.50    (#    268:10  Single Ambig)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 651, 652, 543,
 &end
#
# 0 AMB  10-2:275     42 LEU  HN          2.80    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 610, 580,
 &end
#
# 0 AMB  10-2:278     69 VAL  HN          2.80    (#    278:10  Single Ambig)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1023,1024, 963,
 &end
#
# 0 AMB  10-2:283     42 LEU  HN          2.80    (#    283:10  Single Ambig)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 593, 639,
 &end
#
# 0 AMB  10-2:284     42 LEU  HN          2.80    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 597, 598, 663, 664,
 &end
#
# 0 AMB  10-2:288     38 VAL  HN          4.50    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 519,1353,1357,
 &end
#
# 0 AMB  10-2:297     79 LYS  HN          2.80    (#    297:10  Single Ambig)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1177,1178,1180,
 &end
#
# 0 AMB  10-2:31      78 LEU  HN          5.50    (#     31:10  Single Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1192, 287,
 &end
#
# 0 AMB  10-2:314     60 ASN  HN          2.80    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 905, 906, 922, 923,
 &end
#
# 0 AMB  10-2:326     96 LEU  HN          2.80    (#    326:10  Single Ambig)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1453,1440,1441,1442,1367,1368,
 &end
#
# 0 AMB  10-2:328     96 LEU  HN          2.80    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 &end
#
# 0 AMB  10-2:329     43 ASP  HN          5.50    (#    329:10  Single Ambig)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 671,  31,
 &end
#
# 0 AMB  10-2:330     43 ASP  HN          2.80    (#    330:10  Single Ambig)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 639, 593,
 &end
#
# 0 AMB  10-2:332     43 ASP  HN          3.50    (#    332:10  Single Ambig)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 580, 610,
 &end
#
# 0 AMB  10-2:335     43 ASP  HN          2.80    (#    335:10  Single Ambig)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 612, 613, 615,
 &end
#
# 0 AMB  10-2:336     43 ASP  HN          2.80    (#    336:10  Single Ambig)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744,  41,
        42,
 &end
#
# 0 AMB  10-2:347    101 ASN  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1546,1497,
 &end
#
# 0 AMB  10-2:349    101 ASN  HN          3.50    (#    349:10  Single Ambig)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1484,1499,
 &end
#
# 0 AMB  10-2:35      78 LEU  HN          2.80    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1177,1178,1180,
 &end
#
# 0 AMB  10-2:352    101 ASN  HN          2.80    (#    352:10  Single Ambig)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1520, 682, 683, 684,
 &end
#
# 0 AMB  10-2:36      78 LEU  HN          2.80    (#     36:10  Single Ambig)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1182,1183,1184,1186,1187,1188,1182,1183,1184,1186,
      1187,1188,1163,1164,1165,1167,1168,1169,
 &end
#
# 0 AMB  10-2:37      78 LEU  HN          2.80    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1163,1164,1165,1167,1168,1169, 277, 278, 279, 281,
       282, 283,
 &end
#
# 0 AMB  10-2:380     17 GLU  HN          2.80    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 224, 226, 227,
 &end
#
# 0 AMB  10-2:388     99 LEU  HN          2.80    (#    388:10  Single Ambig)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1499,1484,
 &end
#
# 0 AMB  10-2:389     99 LEU  HN          2.80    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1486,1487,1469,1470,
 &end
#
# 0 AMB  10-2:404     39 LEU  HN          2.80    (#    404:10  Single Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
# 0 AMB  10-2:410     98 GLU  HN          2.80    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1472,1473,1489,1490,
 &end
#
# 0 AMB  10-2:411     98 GLU  HN          2.80    (#    411:10  Single Ambig)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1486,1487,1469,1470,
 &end
#
# 0 AMB  10-2:418     40 GLU  HN          2.80    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 580, 521,
 &end
#
# 0 AMB  10-2:422     40 GLU  HN          2.80    (#    422:10  Single Ambig)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 563, 564, 597, 598,
 &end
#
# 0 AMB  10-2:43      22 ALA  HN          2.80    (#     43:10  Single Ambig)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 289, 308,
 &end
#
# 0 AMB  10-2:434     45 GLU  HN          2.80    (#    434:10  Single Ambig)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 663, 664, 643, 644,
 &end
#
# 0 AMB  10-2:438     35 ILE  HN          2.80    (#    438:10  Single Ambig)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 519,1353,1357,
 &end
#
# 0 AMB  10-2:440     35 ILE  HN          2.80    (#    440:10  Single Ambig)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 504, 487, 488,
 &end
#
# 0 AMB  10-2:445     34 MET  HN          4.50    (#    445:10  Single Ambig)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 519,1353,1357,
 &end
#
# 0 AMB  10-2:45      22 ALA  HN          2.80    (#     45:10  Single Ambig)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 296, 297, 298, 300, 301, 302,1182,1183,1184,1186,
      1187,1188,
 &end
#
# 0 AMB  10-2:454    102 LYS  HN          2.80    (#    454:10  Single Ambig)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1548,1499,
 &end
#
# 0 AMB  10-2:455    102 LYS  HN          2.80    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1550,1551,1556,1557,
 &end
#
# 0 AMB  10-2:458    102 LYS  HN          3.50    (#    458:10  Single Ambig)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1536,1537,1559,1560,
 &end
#
# 0 AMB  10-2:463     59 GLU  HN          2.80    (#    463:10  Single Ambig)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 890, 891, 893, 894, 850, 851,
 &end
#
# 0 AMB  10-2:469     94 GLU  HN          3.50    (#    469:10  Single Ambig)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1428,1429,1392,1393,
 &end
#
# 0 AMB  10-2:47      20 VAL  HN          4.50    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 287,1192,
 &end
#
# 0 AMB  10-2:470     94 GLU  HN          2.80    (#    470:10  Single Ambig)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1392,1393,1472,1473,
 &end
#
# 0 AMB  10-2:48      20 VAL  HN          2.80    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 257,1194,
 &end
#
# 0 AMB  10-2:484     12 SER  HN          2.80    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 183, 193,
 &end
#
# 0 AMB  10-2:494     16 SER  HN          4.50    (#    494:10  Single Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 193, 183,
 &end
#
# 0 AMB  10-2:496     16 SER  HN          2.80    (#    496:10  Single Ambig)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 226, 227, 224,
 &end
#
# 0 AMB  10-2:50      20 VAL  HN          2.80    (#     50:10  Single Ambig)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 277, 278, 279, 281, 282, 283, 261, 262, 263, 265,
       266, 267, 738, 739, 740, 742, 743, 744,
 &end
#
# 0 AMB  10-2:501     46 MET  HN          3.50    (#    501:10  Single Ambig)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 658, 690, 691,
 &end
#
# 0 AMB  10-2:524     10 SER  HN          5.50    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 112,  88,
 &end
#
# 0 AMB  10-2:530     67 TYR  HN          3.50    (#    530:10  Single Ambig)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1028, 971,
 &end
#
# 0 AMB  10-2:57       4 VAL  HN          3.50    (#     57:10  Single Ambig)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 776, 777, 778,  41,  42, 783, 784, 785,
 &end
#
# 0 AMB  10-2:574    100 VAL  HN          2.80    (#    574:10  Single Ambig)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1497,1546,
 &end
#
# 0 AMB  10-2:586     32 CYS  HN          3.50    (#    586:10  Single Ambig)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 438, 439, 432, 433,
 &end
#
# 0 AMB  10-2:601     47 GLY  HN          2.80    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 671, 695,
 &end
#
# 0 AMB  10-2:602     47 GLY  HN          5.50    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 729, 639,
 &end
#
# 0 AMB  10-2:608     18 GLY  HN          2.80    (#    608:10  Single Ambig)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 250, 251, 224,
 &end
#
# 0 AMB  10-2:621      7 THR  HN          2.80    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  92,  93,  94, 104, 105, 106,
 &end
#
# 0 AMB  10-2:630     81 GLY  HN          2.80    (#    630:10  Single Ambig)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1228,1229,1216,
 &end
#
# 0 AMB  10-2:632     15 THR  HN          2.80    (#    632:10  Single Ambig)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 193, 183,
 &end
#
# 0 AMB  10-2:638     65 GLY  HN          5.50    (#    638:10  Single Ambig)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1000,1008,1017, 338, 342,
 &end
#
# 0 AMB  10-2:655      3 ILE  HN          5.50    (#    655:10  Single Ambig)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  50, 770,
 &end
#
# 0 AMB  10-2:657      4 VAL  HN          3.50    (#    657:10  Single Ambig)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  10-2:659      4 VAL  HN          4.50    (#    659:10  Single Ambig)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  31,  66,
 &end
#
# 0 AMB  10-2:660      5 LYS  HN          4.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  73,  74,  92,  93,  94,
 &end
#
# 0 AMB  10-2:661      5 LYS  HN          4.50    (#    661:10  Single Ambig)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  73,  74, 809, 810,
 &end
#
# 0 AMB  10-2:664      5 LYS  HN          4.50    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  50, 805,
 &end
#
# 0 AMB  10-2:667      6 ALA  HN          3.50    (#    667:10  Single Ambig)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  73,  74, 809, 810,
 &end
#
# 0 AMB  10-2:668      6 ALA  HN          3.50    (#    668:10  Single Ambig)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  10-2:670      7 THR  HN          5.50    (#    670:10  Single Ambig)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 128, 129, 200, 201,
 &end
#
# 0 AMB  10-2:676      7 THR  HN          4.50    (#    676:10  Single Ambig)
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 112,  88,
 &end
#
# 0 AMB  10-2:677      8 ASP  HN          5.50    (#    677:10  Single Ambig)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 128, 129, 919, 920,
 &end
#
# 0 AMB  10-2:678      8 ASP  HN          4.50    (#    678:10  Single Ambig)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 905, 906, 131, 132,
 &end
#
# 0 AMB  10-2:690      9 GLN  HN          4.50    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104, 105, 106,  92,  93,  94,
 &end
#
# 0 AMB  10-2:694     10 SER  HN          4.50    (#    694:10  Single Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  92,  93,  94, 104, 105, 106,
 &end
#
# 0 AMB  10-2:695     10 SER  HN          5.50    (#    695:10  Single Ambig)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 131, 132, 200, 201,
 &end
#
# 0 AMB  10-2:699     11 PHE  HN          4.50    (#    699:10  Single Ambig)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 183, 193,
 &end
#
# 0 AMB  10-2:708     12 SER  HN          5.50    (#    708:10  Single Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 187, 188, 189, 988, 989,
 &end
#
# 0 AMB  10-2:716     13 ALA  HN          5.50    (#    716:10  Single Ambig)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 195, 126,
 &end
#
# 0 AMB  10-2:718     14 GLU  HN          5.50    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  10-2:731     15 THR  HN          5.50    (#    731:10  Single Ambig)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 187, 188, 189, 793, 755, 756,
 &end
#
# 0 AMB  10-2:732     15 THR  HN          5.50    (#    732:10  Single Ambig)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  10-2:733     15 THR  HN          5.50    (#    733:10  Single Ambig)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
      1187,1188,
 &end
#
# 0 AMB  10-2:737     16 SER  HN          3.50    (#    737:10  Single Ambig)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 185, 212,
 &end
#
# 0 AMB  10-2:738     16 SER  HN          5.50    (#    738:10  Single Ambig)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 235, 143,
 &end
#
# 0 AMB  10-2:741     85 GLU  HN          4.70    (#    741:10  Single Ambig)
 &rst
  ixpk= 741, nxpk= 10, iat=1140,1280, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 0 AMB  10-2:743     17 GLU  HN          4.50    (#    743:10  Single Ambig)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 226, 227, 250, 251,
 &end
#
# 0 AMB  10-2:744     17 GLU  HN          3.50    (#    744:10  Single Ambig)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 210,1216,
 &end
#
# 0 AMB  10-2:746     85 GLU  HN          4.50    (#    746:10  Single Ambig)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1287,1288,1252,
 &end
#
# 0 AMB  10-2:750     85 GLU  HN          3.50    (#    750:10  Single Ambig)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1163,1164,1165,1167,1168,1169,1182,1183,1184,1186,
      1187,1188,1182,1183,1184,1186,1187,1188,
 &end
#
# 0 AMB  10-2:752     18 GLY  HN          4.50    (#    752:10  Single Ambig)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 237, 238, 275, 711, 712, 752, 753,
 &end
#
# 0 AMB  10-2:753     18 GLY  HN          4.50    (#    753:10  Single Ambig)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 237, 238, 711, 712,
 &end
#
# 0 AMB  10-2:761     20 VAL  HN          2.80    (#    761:10  Single Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  10-2:763     20 VAL  HN          4.50    (#    763:10  Single Ambig)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1177,1178,1180,
 &end
#
# 0 AMB  10-2:768     20 VAL  HN          5.50    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1214,1264,
 &end
#
# 0 AMB  10-2:771     21 LEU  HN          3.50    (#    771:10  Single Ambig)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 289, 308,
 &end
#
# 0 AMB  10-2:775     22 ALA  HN          4.50    (#    775:10  Single Ambig)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1128,1129,1130,1132,1133,1134, 780, 781,1506,1507,
      1508,1510,1511,1512,1270,1271,1272,1274,1275,1276,
      
 &end
#
# 0 AMB  10-2:776     22 ALA  HN          4.50    (#    776:10  Single Ambig)
 &rst
  ixpk= 776, nxpk= 10, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 0 AMB  10-2:777     22 ALA  HN          5.50    (#    777:10  Single Ambig)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1142,1143, 793,
 &end
#
# 0 AMB  10-2:778     22 ALA  HN          3.50    (#    778:10  Single Ambig)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1142,1143, 780, 781,
 &end
#
# 0 AMB  10-2:782     22 ALA  HN          4.50    (#    782:10  Single Ambig)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 287, 805,
 &end
#
# 0 AMB  10-2:785     78 LEU  HN          5.50    (#    785:10  Single Ambig)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1264,1214,
 &end
#
# 0 AMB  10-2:786     78 LEU  HN          3.50    (#    786:10  Single Ambig)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 289,1140,
 &end
#
# 0 AMB  10-2:789     78 LEU  HN          5.50    (#    789:10  Single Ambig)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 291, 292, 310, 311, 312,1254,1255,1256,1258,1259,
      1260,
 &end
#
# 0 AMB  10-2:791     23 ASP  HN          4.50    (#    791:10  Single Ambig)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  10-2:796     87 SER  HN          3.50    (#    796:10  Single Ambig)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1123,1124,1161,
 &end
#
# 0 AMB  10-2:798     23 ASP  HN          3.50    (#    798:10  Single Ambig)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 789, 805,
 &end
#
# 0 AMB  10-2:804     24 PHE  HN          5.50    (#    804:10  Single Ambig)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1128,1129,1130,1132,1133,1134, 864, 865, 866, 868,
       869, 870,
 &end
#
# 0 AMB  10-2:816     26 ALA  HN          2.80    (#    816:10  Single Ambig)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1085,1086,1087, 376, 377, 378,
 &end
#
# 0 AMB  10-2:819     26 ALA  HN          3.50    (#    819:10  Single Ambig)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 456, 374,
 &end
#
# 28 TRP  HA          28 TRP  HN          2.90    (#    824:11  Single Ambig)
 &rst
  ixpk= 824, nxpk= 11, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 29 CYS  HA          28 TRP  HN          5.00    (#    824:12  Single Ambig)
 &rst
  ixpk= 824, nxpk= 12, iat= 422, 396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 27 PRO  HD-         28 TRP  HN          4.50    (#    829:10  Unique)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 383, 384,
 &end
#
# 29 CYS  HA          29 CYS  HN          2.80    (#    834:11  Single Ambig)
 &rst
  ixpk= 834, nxpk= 11, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 TRP  HA          29 CYS  HN          3.50    (#    834:12  Single Ambig)
 &rst
  ixpk= 834, nxpk= 12, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 ALA  MB          29 CYS  HN          3.50    (#    837:10  Unique)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 376, 377, 378,
 &end
#
# 0 AMB  10-2:838     95 ALA  HN          4.50    (#    838:10  Single Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1450,1451,1403,1404,1504,
 &end
#
# 0 AMB  10-2:841     95 ALA  HN          4.50    (#    841:10  Single Ambig)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1392,1393,1428,1429,
 &end
#
# 0 AMB  10-2:842     95 ALA  HN          4.50    (#    842:10  Single Ambig)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1386,1387,1401,
 &end
#
# 0 AMB  10-2:846     32 CYS  HN          5.50    (#    846:10  Single Ambig)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 425, 474, 475,1347,1348,
 &end
#
# 0 AMB  10-2:85       6 ALA  HN          4.50    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  66, 152,
 &end
#
# 0 AMB  10-2:853     89 GLY  HN          2.80    (#    853:10  Single Ambig)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1326,1327,1328,1330,1331,1332,1128,1129,1130,1132,
      1133,1134,
 &end
#
# 0 AMB  10-2:855     33 LYS  HN          4.50    (#    855:10  Single Ambig)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 432, 433, 438, 439,
 &end
#
# 0 AMB  10-2:857     33 LYS  HN          4.50    (#    857:10  Single Ambig)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 453, 447,
 &end
#
# 0 AMB  10-2:859     33 LYS  HN          5.50    (#    859:10  Single Ambig)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 474, 475, 474, 475,
 &end
#
# 0 AMB  10-2:860     33 LYS  HN          4.50    (#    860:10  Single Ambig)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456,1092,1093,
 &end
#
# 0 AMB  10-2:865     34 MET  HN          3.50    (#    865:10  Single Ambig)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 447, 453,
 &end
#
# 0 AMB  10-2:869     35 ILE  HN          4.50    (#    869:10  Single Ambig)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 510, 511, 494, 495, 496,
 &end
#
# 0 AMB  10-2:870     35 ILE  HN          5.50    (#    870:10  Single Ambig)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1095,1096, 444, 445, 468, 469,
 &end
#
# 0 AMB  10-2:873     35 ILE  HN          5.50    (#    873:10  Single Ambig)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 530, 531, 521,
 &end
#
# 0 AMB  10-2:874     35 ILE  HN          3.50    (#    874:10  Single Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 453, 447,
 &end
#
# 0 AMB  10-2:875     35 ILE  HN          3.50    (#    875:10  Single Ambig)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 485, 455,
 &end
#
# 0 AMB  10-2:878     44 GLN  HN          4.50    (#    878:10  Single Ambig)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 580, 610,
 &end
#
# 0 AMB  10-2:881     44 GLN  HN          5.50    (#    881:10  Single Ambig)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 612, 613,  41,  42,
 &end
#
# 0 AMB  10-2:882     44 GLN  HN          5.50    (#    882:10  Single Ambig)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=  44,  45,  46, 617, 618, 619, 621, 622, 623, 617,
       618, 619, 621, 622, 623,
 &end
#
# 0 AMB  10-2:883     44 GLN  HN          5.50    (#    883:10  Single Ambig)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744,  41,
        42,
 &end
#
# 0 AMB  10-2:885     36 ALA  HN          4.50    (#    885:10  Single Ambig)
 &rst
  ixpk= 885, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 502, 539,
 &end
#
# 0 AMB  10-2:886     36 ALA  HN          5.50    (#    886:10  Single Ambig)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 453, 447,
 &end
#
# 0 AMB  10-2:888     36 ALA  HN          5.50    (#    888:10  Single Ambig)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 566, 468, 469,1095,1096, 444, 445,
 &end
#
# 0 AMB  10-2:890     38 VAL  HN          5.50    (#    890:10  Single Ambig)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
# 0 AMB  10-2:891     38 VAL  HN          5.50    (#    891:10  Single Ambig)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 566,1403,1404,1450,1451,
 &end
#
# 0 AMB  10-2:892     38 VAL  HN          4.50    (#    892:10  Single Ambig)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 536, 537, 585, 586,
 &end
#
# 0 AMB  10-2:895     38 VAL  HN          3.50    (#    895:10  Single Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 539,
 &end
#
# 0 AMB  10-2:897     39 LEU  HN          4.50    (#    897:10  Single Ambig)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 502, 539,
 &end
#
# 0 AMB  10-2:898     39 LEU  HN          4.50    (#    898:10  Single Ambig)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 612, 613,  41,  42,
 &end
#
# 0 AMB  10-2:899     39 LEU  HN          3.50    (#    899:10  Single Ambig)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 549, 550, 551, 553, 554, 555, 780, 781,
 &end
#
# 0 AMB  10-2:901     40 GLU  HN          3.50    (#    901:10  Single Ambig)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  44,  45,  46, 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  10-2:903     40 GLU  HN          4.50    (#    903:10  Single Ambig)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 774,
 &end
#
# 0 AMB  10-2:907     40 GLU  HN          4.50    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 543, 651, 652,
 &end
#
# 0 AMB  10-2:912     98 GLU  HN          5.50    (#    912:10  Single Ambig)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1501,1502,1389,1390,
 &end
#
# 0 AMB  10-2:913     98 GLU  HN          4.50    (#    913:10  Single Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1504,1450,1451,
 &end
#
# 0 AMB  10-2:914     98 GLU  HN          5.50    (#    914:10  Single Ambig)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1501,1502, 615,1556,1557,1550,1551,1373,1374,
 &end
#
# 0 AMB  10-2:915     98 GLU  HN          5.50    (#    915:10  Single Ambig)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1440,1441,1442,1453,1367,1368,1550,1551,
 &end
#
# 0 AMB  10-2:916     98 GLU  HN          5.50    (#    916:10  Single Ambig)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  10-2:917     41 GLU  HN          5.50    (#    917:10  Single Ambig)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 617, 618, 619, 621, 622, 623,  44,  45,  46, 568,
       569, 570, 572, 573, 574,
 &end
#
# 0 AMB  10-2:918     41 GLU  HN          5.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 549, 550, 551, 553, 554, 555, 563, 564,1406,1407,
      
 &end
#
# 0 AMB  10-2:919     41 GLU  HN          4.50    (#    919:10  Single Ambig)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 612, 613,1409,1410, 615,
 &end
#
# 0 AMB  10-2:921     41 GLU  HN          3.50    (#    921:10  Single Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 580, 610,
 &end
#
# 0 AMB  10-2:924     42 LEU  HN          4.50    (#    924:10  Single Ambig)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1477,1478, 578,
 &end
#
# 0 AMB  10-2:926     42 LEU  HN          4.50    (#    926:10  Single Ambig)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 600, 601, 678, 679,
 &end
#
# 0 AMB  10-2:927     42 LEU  HN          5.50    (#    927:10  Single Ambig)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1412,1413, 631, 632,
 &end
#
# 0 AMB  10-2:928     42 LEU  HN          5.50    (#    928:10  Single Ambig)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1406,1407, 549, 550, 551, 553, 554, 555, 563, 564,
      
 &end
#
# 0 AMB  10-2:929     42 LEU  HN          3.50    (#    929:10  Single Ambig)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  10-2:930     42 LEU  HN          4.50    (#    930:10  Single Ambig)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 783, 784, 785, 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  10-2:931     43 ASP  HN          3.50    (#    931:10  Single Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  44,  45,  46, 617, 618, 619, 621, 622, 623, 568,
       569, 570, 572, 573, 574,
 &end
#
# 0 AMB  10-2:932     43 ASP  HN          4.50    (#    932:10  Single Ambig)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 660, 661, 582, 583, 675, 676,
 &end
#
# 0 AMB  10-2:933     43 ASP  HN          4.50    (#    933:10  Single Ambig)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 643, 644, 597, 598, 663, 664,1472,1473,
 &end
#
# 0 AMB  10-2:936     44 GLN  HN          5.50    (#    936:10  Single Ambig)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 671,  31,
 &end
#
# 0 AMB  10-2:937     45 GLU  HN          5.50    (#    937:10  Single Ambig)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 615, 612, 613,
 &end
#
# 0 AMB  10-2:938     45 GLU  HN          5.50    (#    938:10  Single Ambig)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 617, 618, 619, 621, 622, 623,  44,  45,  46,
 &end
#
# 0 AMB  10-2:939     45 GLU  HN          4.50    (#    939:10  Single Ambig)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679, 646, 647,
 &end
#
# 0 AMB  10-2:944     46 MET  HN          5.50    (#    944:10  Single Ambig)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 639, 729,
 &end
#
# 0 AMB  10-2:950     47 GLY  HN          5.50    (#    950:10  Single Ambig)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 678, 679, 646, 647,
 &end
#
# 0 AMB  10-2:951     47 GLY  HN          5.50    (#    951:10  Single Ambig)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 678, 679, 663, 664, 646, 647,
 &end
#
# 0 AMB  10-2:954     47 GLY  HN          4.50    (#    954:10  Single Ambig)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 675, 676, 660, 661, 682, 683, 684,
 &end
#
# 0 AMB  10-2:955     47 GLY  HN          5.50    (#    955:10  Single Ambig)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 738, 739, 740, 742, 743, 744, 783, 784, 785,
 &end
#
# 0 AMB  10-2:961     48 ASP  HN          5.50    (#    961:10  Single Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 675, 676, 682, 683, 684, 259,
 &end
#
# 0 AMB  10-2:963     97 GLN  HN          4.50    (#    963:10  Single Ambig)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1453,1440,1441,1442,1367,1368,
 &end
#
# 0 AMB  10-2:966     97 GLN  HN          4.50    (#    966:10  Single Ambig)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 &end
#
# 0 AMB  10-2:967     97 GLN  HN          3.50    (#    967:10  Single Ambig)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  10-2:968     97 GLN  HN          5.50    (#    968:10  Single Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 549, 550, 551, 553, 554, 555,1506,1507,1508,1510,
      1511,1512,1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  10-2:969    101 ASN  HN          4.50    (#    969:10  Single Ambig)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1589,1590,1550,1551,1501,1502,1556,1557,
 &end
#
# 0 AMB  10-2:985     49 LYS  HN          5.50    (#    985:10  Single Ambig)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 675, 676, 259, 682, 683, 684,
 &end
#
# 0 AMB  10-2:988     49 LYS  HN          5.50    (#    988:10  Single Ambig)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 261, 262, 263, 265, 266, 267, 738, 739, 740, 742,
       743, 744, 738, 739, 740, 742, 743, 744,
 &end
#
# 0 AMB  10-2:989     50 LEU  HN          3.50    (#    989:10  Single Ambig)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
       743, 744, 261, 262, 263, 265, 266, 267, 783, 784,
       785,
 &end
#
# 0 AMB  10-2:993     50 LEU  HN          3.50    (#    993:10  Single Ambig)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 675, 676, 259,
 &end
#
# 0 AMB  10-2:996     50 LEU  HN          5.50    (#    996:10  Single Ambig)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 673, 750,
 &end
#
# 0 AMB  10-2:997     96 LEU  HN          3.50    (#    997:10  Single Ambig)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1438,1365,
 &end
#
# 0 AMB  10-2:999     96 LEU  HN          3.50    (#    999:10  Single Ambig)
 &rst
  ixpk= 999, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1401,1386,1387,
 &end
#
# 0 AMB  20-2:1001     0 AMB  20-1:1001   3.50    (#   1001:20  Double Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 758, 759, 758, 759,
 &end
#
# 0 AMB  20-2:1020     0 AMB  20-1:1020   2.80    (#   1020:20  Double Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,1254,
      1255,1256,1258,1259,1260,
 igr2= 510, 511, 510, 511, 988, 989,
 &end
#
# 0 AMB  20-2:1026     0 AMB  20-1:1026   2.80    (#   1026:20  Double Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 504,1284,1285,1486,1487,
 igr2= 510, 511,1556,1557,
 &end
#
# 0 AMB  20-2:1030     0 AMB  20-1:1030   2.80    (#   1030:20  Double Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 985, 986,1182,1183,1184,1186,1187,1188,1182,1183,
      1184,1186,1187,1188,
 igr2= 988, 989, 988, 989, 988, 989,
 &end
#
# 0 AMB  20-2:1045     0 AMB  20-1:1045   4.50    (#   1045:20  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 116, 117, 905, 906,
 igr2= 936, 937, 936, 937,
 &end
#
# 0 AMB  20-2:1049     0 AMB  20-1:1049   2.80    (#   1049:20  Double Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1559,1560,1412,1413,
 igr2=1556,1557,1409,1410,
 &end
#
# 0 AMB  20-2:1050     0 AMB  20-1:1050   2.80    (#   1050:20  Double Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 597, 598, 663, 664,
 igr2=1409,1410,1409,1410,
 &end
#
# 0 AMB  20-2:1055     0 AMB  20-1:1055   2.80    (#   1055:20  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  37,  38,  39, 568, 569, 570, 572, 573, 574,
 igr2= 815, 816, 815, 816,
 &end
#
# 0 AMB  20-2:1057     0 AMB  20-1:1057   2.80    (#   1057:20  Double Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 809, 810,  76,  77,
 igr2= 815, 816, 815, 816,
 &end
#
# 0 AMB  20-2:1070     0 AMB  20-1:1070   2.80    (#   1070:20  Double Ambig)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1128,1129,1130,1132,1133,1134,1594,1595,1596,1598,
      1599,1600,
 igr2=1126, 717, 718,
 &end
#
# 0 AMB  20-2:1083     0 AMB  20-1:1083   2.80    (#   1083:20  Double Ambig)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1477,1478, 578,
 igr2=1469,1470, 582, 583,
 &end
#
# 0 AMB  20-2:1084     0 AMB  20-1:1084   4.50    (#   1084:20  Double Ambig)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 102, 143,
 igr2= 128, 129, 128, 129,
 &end
#
# 0 AMB  20-2:1085     0 AMB  20-1:1085   2.80    (#   1085:20  Double Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 539, 145, 146,
 igr2= 582, 583, 128, 129,
 &end
#
# 0 AMB  20-2:1089     0 AMB  20-1:1089   2.80    (#   1089:20  Double Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 922, 923, 131, 132, 678, 679,
 igr2= 919, 920, 128, 129,1469,1470,
 &end
#
# 0 AMB  20-2:1090     0 AMB  20-1:1090   2.80    (#   1090:20  Double Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1472,1473, 585, 586,
 igr2=1469,1470, 582, 583,
 &end
#
# 0 AMB  20-2:1091     0 AMB  20-1:1091   3.50    (#   1091:20  Double Ambig)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,  44,  45,  46,
 igr2=1469,1470, 582, 583,
 &end
#
# 0 AMB  20-2:1110     0 AMB  20-1:1110   3.50    (#   1110:20  Double Ambig)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 444, 445,1095,1096,
 igr2= 441, 442, 441, 442,
 &end
#
# 94 GLU  HA            0 AMB  20-1:1118   2.80    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1425,1426,1469,1470,
 &end
#
# 0 AMB  20-2:1119     0 AMB  20-1:1119   2.80    (#   1119:20  Double Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1428,1429,1392,1393,
 igr2=1425,1426,1425,1426,
 &end
#
# 0 AMB  20-2:1120     0 AMB  20-1:1120   2.80    (#   1120:20  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1428,1429,1472,1473,
 igr2=1425,1426,1469,1470,
 &end
#
# 0 AMB  20-2:1128     0 AMB  20-1:1128   2.80    (#   1128:20  Double Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744,
 igr2= 780, 781, 780, 781,
 &end
#
# 0 AMB  20-2:1177     0 AMB  20-1:1177   2.80    (#   1177:20  Double Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 291, 292,1254,1255,1256,1258,1259,1260, 310, 311,
       312,
 igr2= 296, 297, 298, 300, 301, 302,1145,
 &end
#
# 0 AMB  20-2:1184     0 AMB  20-1:1184   2.80    (#   1184:20  Double Ambig)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1594,1595,1596,1598,1599,1600, 513, 514, 515,
 igr2=1592, 566,
 &end
#
# 0 AMB  20-2:1189     0 AMB  20-1:1189   4.00    (#   1189:20  Double Ambig)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1=1301,1302,1303, 261, 262, 263, 265, 266, 267,
 igr2=1145, 296, 297, 298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:1190     0 AMB  20-1:1190   2.80    (#   1190:20  Double Ambig)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1522,1523,1524,1526,1527,1528,1147,1148,1149,1151,
      1152,1153, 513, 514, 515,
 igr2= 296, 297, 298, 300, 301, 302,1145, 568, 569, 570,
       572, 573, 574,
 &end
#
# 0 AMB  20-2:1192     0 AMB  20-1:1192   5.50    (#   1192:20  Double Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1=1004,1005, 352, 353,
 igr2=1145, 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  20-2:1193     0 AMB  20-1:1193   2.80    (#   1193:20  Double Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1142,1143, 780, 781,1450,1451,1504,
 igr2=1145, 296, 297, 298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:1205     0 AMB  20-1:1205   2.80    (#   1205:20  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 320, 321, 818, 819, 320, 321,
 igr2= 568, 569, 570, 572, 573, 574, 296, 297, 298, 300,
       301, 302,
 &end
#
# 0 AMB  20-2:1206     0 AMB  20-1:1206   2.80    (#   1206:20  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1126, 566,1450,1451,
 igr2= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
       573, 574,
 &end
#
# 0 AMB  20-2:1237     0 AMB  20-1:1237   3.50    (#   1237:20  Double Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 465, 466, 818, 819,
 igr2= 468, 469,  73,  74,
 &end
#
# 0 AMB  20-2:1238     0 AMB  20-1:1238   4.50    (#   1238:20  Double Ambig)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=  56,  57,  58,  60,  61,  62,  56,  57,  58,  60,
        61,  62,
 igr2=  73,  74,  73,  74,
 &end
#
# 0 AMB  20-2:1242     0 AMB  20-1:1242   3.50    (#   1242:20  Double Ambig)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 257,1194,
 igr2=1199,1200,1199,1200,
 &end
#
# 0 AMB  20-2:1244     0 AMB  20-1:1244   3.50    (#   1244:20  Double Ambig)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1205,1206,  79,  80,
 igr2=1199,1200,  73,  74,
 &end
#
# 0 AMB  20-2:1251     0 AMB  20-1:1251   4.50    (#   1251:20  Double Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 474, 475,  79,  80,
 igr2= 468, 469,  73,  74,
 &end
#
# 0 AMB  20-2:1261     0 AMB  20-1:1261   2.80    (#   1261:20  Double Ambig)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1594,1595,1596,1598,1599,1600,  56,  57,  58,  60,
        61,  62,
 igr2= 714, 715, 755, 756,
 &end
#
# 0 AMB  20-2:1265     0 AMB  20-1:1265   2.80    (#   1265:20  Double Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 610, 980,
 igr2= 617, 618, 619, 621, 622, 623, 985, 986,
 &end
#
# 0 AMB  20-2:1280     0 AMB  20-1:1280   2.80    (#   1280:20  Double Ambig)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1594,1595,1596,1598,1599,1600, 864, 865, 866, 868,
       869, 870,
 igr2= 714, 715,1082,1083,
 &end
#
# 0 AMB  20-2:1282     0 AMB  20-1:1282   2.80    (#   1282:20  Double Ambig)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  73,  74, 809, 810,
 igr2= 812, 813, 812, 813,
 &end
#
# 0 AMB  20-2:1286     0 AMB  20-1:1286   2.80    (#   1286:20  Double Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 991, 992,1376,1377,
 igr2= 985, 986,1370,1371,
 &end
#
# 0 AMB  20-2:1287     0 AMB  20-1:1287   2.80    (#   1287:20  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1367,1368,1440,1441,1442,1453, 988, 989,
 igr2=1370,1371,1370,1371,1370,1371, 985, 986,
 &end
#
# 0 AMB  20-2:1293     0 AMB  20-1:1293   2.80    (#   1293:20  Double Ambig)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 988, 989,1453,
 igr2= 985, 986, 617, 618, 619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1295     0 AMB  20-1:1295   3.50    (#   1295:20  Double Ambig)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 991, 992,1412,1413,1412,1413,
 igr2= 985, 986, 617, 618, 619, 621, 622, 623, 617, 618,
       619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1296     0 AMB  20-1:1296   4.50    (#   1296:20  Double Ambig)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,
 igr2=1095,1096,1095,1096,
 &end
#
# 0 AMB  20-2:1300     0 AMB  20-1:1300   3.50    (#   1300:20  Double Ambig)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  37,  38,  39, 568, 569, 570, 572, 573, 574,
 igr2= 812, 813, 812, 813,
 &end
#
# 0 AMB  20-2:1302     0 AMB  20-1:1302   2.80    (#   1302:20  Double Ambig)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1386,1387,1401,
 igr2=1370,1371,1406,1407,
 &end
#
# 0 AMB  20-2:1303     0 AMB  20-1:1303   2.80    (#   1303:20  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1373,1374,1556,1557, 809, 810,
 igr2=1370,1371,1553,1554, 812, 813,
 &end
#
# 0 AMB  20-2:1327     0 AMB  20-1:1327   3.50    (#   1327:20  Double Ambig)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 776, 777, 778,  41,  42,
 igr2= 812, 813, 812, 813,
 &end
#
# 0 AMB  20-2:1328     0 AMB  20-1:1328   3.50    (#   1328:20  Double Ambig)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 807, 330,1101,
 igr2= 812, 813, 864, 865, 866, 868, 869, 870,1082,1083,
      
 &end
#
# 0 AMB  20-2:1330     0 AMB  20-1:1330   3.50    (#   1330:20  Double Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1085,1086,1087, 376, 377, 378,
 igr2= 864, 865, 866, 868, 869, 870,1082,1083,
 &end
#
# 0 AMB  20-2:1333     0 AMB  20-1:1333   4.50    (#   1333:20  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1313,1314,1313,1314,
 igr2=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
       301, 302,
 &end
#
# 0 AMB  20-2:1335     0 AMB  20-1:1335   3.50    (#   1335:20  Double Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1284,1285,1520,
 igr2=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
       301, 302,
 &end
#
# 0 AMB  20-2:1337     0 AMB  20-1:1337   2.80    (#   1337:20  Double Ambig)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1123,1124,1556,1557, 780, 781,
 igr2= 296, 297, 298, 300, 301, 302,1506,1507,1508,1510,
      1511,1512,
 &end
#
# 0 AMB  20-2:1342     0 AMB  20-1:1342   2.80    (#   1342:20  Double Ambig)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1499, 860,1548,
 igr2=1553,1554, 864, 865, 866, 868, 869, 870,
 &end
#
# 0 AMB  20-2:1343     0 AMB  20-1:1343   3.50    (#   1343:20  Double Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 332, 333,1572,1573, 878, 879,
 igr2= 864, 865, 866, 868, 869, 870,1553,1554,
 &end
#
# 0 AMB  20-2:139      0 AMB  20-1:139    3.50    (#    139:20  Double Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 275,  70,  71,
 igr2= 210,  52,
 &end
#
# 0 AMB  20-2:1425     0 AMB  20-1:1425   2.80    (#   1425:20  Double Ambig)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1516,1280,
 igr2=1522,1523,1524,1526,1527,1528,1254,1255,1256,1258,
      1259,1260,
 &end
#
# 53 VAL  HB            0 AMB  20-1:1487   2.80    (#   1487:20  Single Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  20-2:1510     0 AMB  20-1:1510   2.80    (#   1510:20  Double Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1163,1164,1165,1167,1168,1169, 617, 618, 619, 621,
       622, 623, 617, 618, 619, 621, 622, 623,
 igr2=1270,1271,1272,1274,1275,1276, 549, 550, 551, 553,
       554, 555,
 &end
#
# 0 AMB  20-2:1511     0 AMB  20-1:1511   2.80    (#   1511:20  Double Ambig)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1455,1456,1457,1459,1460,1461,1163,1164,1165,1167,
      1168,1169,
 igr2= 549, 550, 551, 553, 554, 555,1270,1271,1272,1274,
      1275,1276,
 &end
#
# 20 VAL  HN            0 AMB  20-1:1523   4.50    (#   1523:20  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:1524     0 AMB  20-1:1524   2.80    (#   1524:20  Double Ambig)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 287, 770,1192,
 igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:1530     0 AMB  20-1:1530   2.80    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 793,1550,1551,
 igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:1531     0 AMB  20-1:1531   2.80    (#   1531:20  Double Ambig)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 755, 756, 291, 292, 310, 311, 312,1553,1554,1553,
      1554,
 igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:1578     0 AMB  20-1:1578   4.50    (#   1578:20  Double Ambig)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=  33,1338,1339,
 igr2=  56,  57,  58,  60,  61,  62,1326,1327,1328,1330,
      1331,1332,
 &end
#
# 0 AMB  20-2:1582     0 AMB  20-1:1582   2.80    (#   1582:20  Double Ambig)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1324, 597, 598,
 igr2=1326,1327,1328,1330,1331,1332, 549, 550, 551, 553,
       554, 555,
 &end
#
# 0 AMB  20-2:1603     0 AMB  20-1:1603   2.80    (#   1603:20  Double Ambig)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1032,1161,1501,1502,
 igr2=1034,1035,1036,1038,1039,1040,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:1608     0 AMB  20-1:1608   3.50    (#   1608:20  Double Ambig)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 963,1518,
 igr2=1034,1035,1036,1038,1039,1040,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:161      0 AMB  20-1:161    2.80    (#    161:20  Double Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1472,1473,1428,1429, 939, 940,
 igr2=1423, 934,
 &end
#
# 0 AMB  20-2:162      0 AMB  20-1:162    2.80    (#    162:20  Double Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 936, 937,1425,1426,1469,1470,
 igr2= 934,1423,
 &end
#
# 0 AMB  20-2:1728     0 AMB  20-1:1728   3.50    (#   1728:20  Double Ambig)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 860, 226, 227,
 igr2= 965, 966, 967, 187, 188, 189,
 &end
#
# 0 AMB  20-2:2009     0 AMB  20-1:2009   3.50    (#   2009:20  Double Ambig)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 291, 292,1254,1255,1256,1258,1259,1260,
 igr2= 289,1140,
 &end
#
# 0 AMB  20-2:2010     0 AMB  20-1:2010   2.80    (#   2010:20  Double Ambig)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
      1168,1169,1182,1183,1184,1186,1187,1188,
 igr2= 289,1140,
 &end
#
# 76 LEU  HN            0 AMB  20-1:2015   4.50    (#   2015:20  Single Ambig)
 &rst
  ixpk= 2015, nxpk= 20, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1140, 289,
 &end
#
# 0 AMB  20-2:2019     0 AMB  20-1:2019   4.50    (#   2019:20  Double Ambig)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1301,1302,1303, 261, 262, 263, 265, 266, 267,1111,
      1112,1113,
 igr2=1140, 289,
 &end
#
# 0 AMB  20-2:2021     0 AMB  20-1:2021   4.50    (#   2021:20  Double Ambig)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 294,1123,1124,
 igr2= 289,1140,
 &end
#
# 0 AMB  20-2:2080     0 AMB  20-1:2080   5.50    (#   2080:20  Double Ambig)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
 igr1=  92,  93,  94, 563, 564, 549, 550, 551, 553, 554,
       555,
 igr2= 145, 146, 539,
 &end
#
# 0 AMB  20-2:2086     0 AMB  20-1:2086   5.50    (#   2086:20  Double Ambig)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1048,1049,1324,
 igr2=1065,1066,1065,1066,
 &end
#
# 0 AMB  20-2:2092     0 AMB  20-1:2092   5.50    (#   2092:20  Double Ambig)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1123,1124,1373,1374,
 igr2=1313,1314,1313,1314,
 &end
#
# 0 AMB  20-2:2094     0 AMB  20-1:2094   5.50    (#   2094:20  Double Ambig)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1111,1112,1113,1301,1302,1303,
 igr2=1313,1314,1313,1314,
 &end
#
# 0 AMB  20-2:2096     0 AMB  20-1:2096   5.50    (#   2096:20  Double Ambig)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1313,1314,1313,1314,
 &end
#
# 0 AMB  20-2:2100     0 AMB  20-1:2100   5.50    (#   2100:20  Double Ambig)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 874, 248,
 igr2= 860, 226, 227,
 &end
#
# 0 AMB  20-2:2128     0 AMB  20-1:2128   4.50    (#   2128:20  Double Ambig)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 210,  52,
 &end
#
# 0 AMB  20-2:2138     0 AMB  20-1:2138   5.50    (#   2138:20  Double Ambig)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 791, 273, 772,
 igr2=  52, 210,
 &end
#
# 0 AMB  20-2:2159     0 AMB  20-1:2159   4.50    (#   2159:20  Double Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 961, 639,
 igr2= 917, 658,
 &end
#
# 0 AMB  20-2:2165     0 AMB  20-1:2165   4.50    (#   2165:20  Double Ambig)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 559, 639, 593,
 igr2= 521, 610,
 &end
#
# 0 AMB  20-2:218      0 AMB  20-1:218    2.80    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 663, 664, 922, 923,
 igr2= 658, 917,
 &end
#
# 0 AMB  20-2:2195     0 AMB  20-1:2195   5.50    (#   2195:20  Double Ambig)
 &rst
  ixpk= 2195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 805, 858,
 igr2= 818, 819, 850, 851,
 &end
#
# 0 AMB  20-2:220      0 AMB  20-1:220    2.80    (#    220:20  Double Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 919, 920, 660, 661,
 igr2= 917, 658,
 &end
#
# 0 AMB  20-2:2202     0 AMB  20-1:2202   5.50    (#   2202:20  Double Ambig)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1264,1214,
 igr2=1177,1178,1177,1178,
 &end
#
# 0 AMB  20-2:2213     0 AMB  20-1:2213   5.50    (#   2213:20  Double Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1214,1264,
 igr2=1196,1197,1196,1197,
 &end
#
# 0 AMB  20-2:2214     0 AMB  20-1:2214   3.50    (#   2214:20  Double Ambig)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 770, 287, 789,
 igr2= 752, 753, 752, 753, 752, 753,
 &end
#
# 0 AMB  20-2:2216     0 AMB  20-1:2216   5.50    (#   2216:20  Double Ambig)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 770,  50, 789,
 igr2= 758, 759, 758, 759, 758, 759,
 &end
#
# 0 AMB  20-2:222      0 AMB  20-1:222    2.80    (#    222:20  Double Ambig)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1497,1546,
 igr2=1499,1548,
 &end
#
# 0 AMB  20-2:2223     0 AMB  20-1:2223   4.50    (#   2223:20  Double Ambig)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 770, 287, 789,
 igr2= 780, 781, 780, 781, 780, 781,
 &end
#
# 0 AMB  20-2:223      0 AMB  20-1:223    2.80    (#    223:20  Double Ambig)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1550,1551,1501,1502,1556,1557,1556,1557,
 igr2=1548,1499,
 &end
#
# 0 AMB  20-2:2230     0 AMB  20-1:2230   5.50    (#   2230:20  Double Ambig)
 &rst
  ixpk= 2230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1214,1264,
 igr2=1199,1200,1199,1200,
 &end
#
# 0 AMB  20-2:2232     0 AMB  20-1:2232   5.50    (#   2232:20  Double Ambig)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 287, 770, 805,
 igr2= 296, 297, 298, 300, 301, 302, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  20-2:224      0 AMB  20-1:224    2.80    (#    224:20  Double Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1550,1551,1550,1551,
 igr2=1548,1499,
 &end
#
# 0 AMB  20-2:225      0 AMB  20-1:225    3.50    (#    225:20  Double Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1553,1554,1553,1554,
 igr2=1499,1548,
 &end
#
# 0 AMB  20-2:2288     0 AMB  20-1:2288   5.50    (#   2288:20  Double Ambig)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  66, 348,
 igr2=  76,  77,  76,  77,
 &end
#
# 0 AMB  20-2:2289     0 AMB  20-1:2289   5.50    (#   2289:20  Double Ambig)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 500,1516,
 igr2= 510, 511,1556,1557,
 &end
#
# 103 HIS  HD2           0 AMB  20-1:2291   5.50    (#   2291:20  Single Ambig)
 &rst
  ixpk= 2291, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1550,1551,1161,
 &end
#
# 0 AMB  20-2:2316     0 AMB  20-1:2316   5.50    (#   2316:20  Double Ambig)
 &rst
  ixpk= 2316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1233, 729,
 igr2=1218,1219, 699, 700,
 &end
#
# 0 AMB  20-2:2329     0 AMB  20-1:2329   5.50    (#   2329:20  Double Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 141, 656,
 igr2= 131, 132, 646, 647,
 &end
#
# 0 AMB  20-2:2331     0 AMB  20-1:2331   5.50    (#   2331:20  Double Ambig)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1061, 656,
 igr2=1048,1049, 675, 676,
 &end
#
# 0 AMB  20-2:2347     0 AMB  20-1:2347   5.50    (#   2347:20  Double Ambig)
 &rst
  ixpk= 2347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 451,1336,
 igr2=1092,1093,1092,1093,
 &end
#
# 0 AMB  20-2:236      0 AMB  20-1:236    4.50    (#    236:20  Double Ambig)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 559, 639,
 igr2= 521, 610,
 &end
#
# 0 AMB  20-2:2360     0 AMB  20-1:2360   4.50    (#   2360:20  Double Ambig)
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 500, 729,
 igr2= 485, 629,
 &end
#
# 103 HIS  HN            0 AMB  20-1:2362   4.50    (#   2362:20  Single Ambig)
 &rst
  ixpk= 2362, nxpk= 20, iat=1568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1548,1499,
 &end
#
# 28 TRP  HN            28 TRP  HA        2.90    (#   2368:20  Unique)
 &rst
  ixpk= 2368, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 29 CYS  HN            29 CYS  HA        3.00    (#   2369:20  Unique)
 &rst
  ixpk= 2369, nxpk= 20, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 0 AMB  20-2:2376     0 AMB  20-1:2376   5.50    (#   2376:20  Double Ambig)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1000,1008,1017,
 igr2=1023,1024,1023,1024,
 &end
#
# 0 AMB  20-2:2377     0 AMB  20-1:2377   5.50    (#   2377:20  Double Ambig)
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1000,1008,1017,
 igr2= 973, 974, 973, 974,
 &end
#
# 0 AMB  20-2:2384     0 AMB  20-1:2384   5.50    (#   2384:20  Double Ambig)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 519, 363, 367,
 igr2= 533, 534, 386, 387, 386, 387,
 &end
#
# 0 AMB  20-2:2388     0 AMB  20-1:2388   5.50    (#   2388:20  Double Ambig)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 927, 928, 543,
 igr2= 862, 536, 537,
 &end
#
# 0 AMB  20-2:2391     0 AMB  20-1:2391   4.50    (#   2391:20  Double Ambig)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1477,1478, 927, 928,
 igr2= 678, 679,1051,1052,
 &end
#
# 0 AMB  20-2:24       0 AMB  20-1:24     2.80    (#     24:20  Double Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 389, 390, 200, 201,
 igr2= 392, 145, 146,
 &end
#
# 0 AMB  20-2:2405     0 AMB  20-1:2405   5.50    (#   2405:20  Double Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 927, 928, 651, 652,
 igr2= 922, 923, 646, 647,
 &end
#
# 0 AMB  20-2:2406     0 AMB  20-1:2406   5.50    (#   2406:20  Double Ambig)
 &rst
  ixpk= 2406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 927, 928, 651, 652,
 igr2= 922, 923, 646, 647,
 &end
#
# 0 AMB  20-2:242      0 AMB  20-1:242    3.50    (#    242:20  Double Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 530, 531, 641,
 igr2= 485, 629,
 &end
#
# 0 AMB  20-2:2437     0 AMB  20-1:2437   4.50    (#   2437:20  Double Ambig)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1353,1357,1008,1017,
 igr2= 510, 511, 988, 989,
 &end
#
# 0 AMB  20-2:248      0 AMB  20-1:248    2.80    (#    248:20  Double Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1450,1451, 566,
 igr2=1448, 521,
 &end
#
# 0 AMB  20-2:250      0 AMB  20-1:250    3.50    (#    250:20  Double Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 506, 507, 508,1522,1523,1524,1526,1527,1528,
 igr2= 521,1448,
 &end
#
# 0 AMB  20-2:2512     0 AMB  20-1:2512   4.50    (#   2512:20  Double Ambig)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 453,1338,1339,
 igr2=1095,1096,1095,1096,
 &end
#
# 0 AMB  20-2:2514     0 AMB  20-1:2514   5.50    (#   2514:20  Double Ambig)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1297,1311,
 igr2=1145, 296, 297, 298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:2515     0 AMB  20-1:2515   5.50    (#   2515:20  Double Ambig)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 318, 772, 807, 791,
 igr2= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
       573, 574,
 &end
#
# 0 AMB  20-2:2525     0 AMB  20-1:2525   4.50    (#   2525:20  Double Ambig)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 257,1194,
 igr2=1202,1203,1202,1203,
 &end
#
# 0 AMB  20-2:2540     0 AMB  20-1:2540   5.50    (#   2540:20  Double Ambig)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1194,1159, 257,
 igr2=1177,1178,1177,1178,1177,1178,
 &end
#
# 0 AMB  20-2:2548     0 AMB  20-1:2548   5.50    (#   2548:20  Double Ambig)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 447, 453,
 igr2= 441, 442, 441, 442,
 &end
#
# 0 AMB  20-2:255      0 AMB  20-1:255    5.50    (#    255:20  Double Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 714, 715, 187, 188, 189, 755, 756,
 igr2=1587, 195,
 &end
#
# 0 AMB  20-2:2553     0 AMB  20-1:2553   4.50    (#   2553:20  Double Ambig)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 102, 143,
 igr2= 131, 132, 200, 201,
 &end
#
# 0 AMB  20-2:2560     0 AMB  20-1:2560   4.50    (#   2560:20  Double Ambig)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1338,1339, 453,
 igr2=1092,1093,1092,1093,
 &end
#
# 0 AMB  20-2:2565     0 AMB  20-1:2565   5.50    (#   2565:20  Double Ambig)
 &rst
  ixpk= 2565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 447, 453,
 igr2= 438, 439, 438, 439,
 &end
#
# 0 AMB  20-2:257      0 AMB  20-1:257    3.50    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1450,1451, 815, 816,
 igr2=1448, 521,
 &end
#
# 0 AMB  20-2:2580     0 AMB  20-1:2580   4.50    (#   2580:20  Double Ambig)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 539, 502,
 igr2= 530, 531, 530, 531,
 &end
#
# 29 CYS  HA           30 GLY  HA-        4.50    (#   2585:20  Unique )
 &rst
  ixpk= 2585, nxpk= 20, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 432, 433,
 &end
#
# 0 AMB  20-2:2587     0 AMB  20-1:2587   4.50    (#   2587:20  Double Ambig)
 &rst
  ixpk= 2587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 530, 531, 154,
 igr2= 539, 145, 146,
 &end
#
# 0 AMB  20-2:2589     0 AMB  20-1:2589   5.50    (#   2589:20  Double Ambig)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 250, 251, 438, 439,
 igr2= 720, 721, 474, 475,
 &end
#
# 0 AMB  20-2:2591     0 AMB  20-1:2591   5.50    (#   2591:20  Double Ambig)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 455,1587,
 igr2= 474, 475, 720, 721,
 &end
#
# 0 AMB  20-2:2593     0 AMB  20-1:2593   5.50    (#   2593:20  Double Ambig)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 697, 453, 447,
 igr2= 720, 721, 474, 475,
 &end
#
# 0 AMB  20-2:261      0 AMB  20-1:261    2.80    (#    261:20  Double Ambig)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1589,1590, 197, 198,
 igr2=1587, 195,
 &end
#
# 0 AMB  20-2:2642     0 AMB  20-1:2642   4.50    (#   2642:20  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1438,1365,
 igr2=1389,1390,1389,1390,
 &end
#
# 0 AMB  20-2:2644     0 AMB  20-1:2644   3.50    (#   2644:20  Double Ambig)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 539, 502,
 igr2= 533, 534, 533, 534,
 &end
#
# 0 AMB  20-2:2645     0 AMB  20-1:2645   5.50    (#   2645:20  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1386,1387,1313,1314,
 igr2=1373,1374,1373,1374,
 &end
#
# 0 AMB  20-2:2647     0 AMB  20-1:2647   4.50    (#   2647:20  Double Ambig)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1548,1499,
 igr2=1556,1557,1556,1557,
 &end
#
# 0 AMB  20-2:2654     0 AMB  20-1:2654   5.50    (#   2654:20  Double Ambig)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1092,1093, 456,
 igr2=1098,1099,1098,1099,
 &end
#
# 0 AMB  20-2:2655     0 AMB  20-1:2655   5.50    (#   2655:20  Double Ambig)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1092,1093,1065,1066,
 igr2=1098,1099,1048,1049,
 &end
#
# 0 AMB  20-2:2668     0 AMB  20-1:2668   5.50    (#   2668:20  Double Ambig)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1250, 224,
 igr2=1177,1178,1177,1178,
 &end
#
# 87 SER  HB-           0 AMB  20-1:2670   5.50    (#   2670:20  Single Ambig)
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1313,1314,
 igr2=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
       301, 302,
 &end
#
# 0 AMB  20-2:2707     0 AMB  20-1:2707   5.50    (#   2707:20  Double Ambig)
 &rst
  ixpk= 2707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 474, 475, 474, 475,
 igr2= 465, 466, 465, 466,
 &end
#
# 0 AMB  20-2:2733     0 AMB  20-1:2733   5.50    (#   2733:20  Double Ambig)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 389, 390, 850, 851,
 igr2= 383, 384, 383, 384,
 &end
#
# 102 LYS  HE-           0 AMB  20-1:2740   5.50    (#   2740:20  Single Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1559,1560,
 igr2=1548,1499,
 &end
#
# 0 AMB  20-2:2755     0 AMB  20-1:2755   5.50    (#   2755:20  Double Ambig)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  92,  93,  94, 831,
 igr2= 156, 157, 156, 157,
 &end
#
# 0 AMB  20-2:2758     0 AMB  20-1:2758   4.50    (#   2758:20  Double Ambig)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1095,1096, 444, 445,
 igr2=1338,1339,1338,1339,
 &end
#
# 0 AMB  20-2:2761     0 AMB  20-1:2761   5.50    (#   2761:20  Double Ambig)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 711, 712, 237, 238, 752, 753,
 igr2= 250, 251, 250, 251, 250, 251,
 &end
#
# 0 AMB  20-2:2764     0 AMB  20-1:2764   5.50    (#   2764:20  Double Ambig)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1177,1178,1180,
 igr2=1228,1229,1228,1229,
 &end
#
# 0 AMB  20-2:2765     0 AMB  20-1:2765   5.50    (#   2765:20  Double Ambig)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 965, 966, 967, 988, 989,
 igr2= 973, 974, 973, 974,
 &end
#
# 0 AMB  20-2:2776     0 AMB  20-1:2776   4.50    (#   2776:20  Double Ambig)
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 444, 445,1095,1096,
 igr2= 438, 439, 438, 439,
 &end
#
# 0 AMB  20-2:2792     0 AMB  20-1:2792   3.50    (#   2792:20  Double Ambig)
 &rst
  ixpk= 2792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 468, 469,  73,  74, 809, 810,
 igr2= 474, 475, 474, 475,  79,  80,  79,  80,
 &end
#
# 0 AMB  20-2:2794     0 AMB  20-1:2794   5.50    (#   2794:20  Double Ambig)
 &rst
  ixpk= 2794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 711, 712,1202,1203,
 igr2= 699, 700,1218,1219,
 &end
#
# 0 AMB  20-2:2797     0 AMB  20-1:2797   5.50    (#   2797:20  Double Ambig)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 187, 188, 189, 793,
 igr2= 200, 201, 200, 201,
 &end
#
# 0 AMB  20-2:2801     0 AMB  20-1:2801   5.50    (#   2801:20  Double Ambig)
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1440,1441,1442,1367,1368,
 igr2=1392,1393,1392,1393,
 &end
#
# 0 AMB  20-2:2804     0 AMB  20-1:2804   5.50    (#   2804:20  Double Ambig)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1370,1371,1406,1407,
 igr2=1392,1393,1392,1393,
 &end
#
# 0 AMB  20-2:2805     0 AMB  20-1:2805   5.50    (#   2805:20  Double Ambig)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 468, 469, 615,
 igr2= 389, 390, 678, 679,
 &end
#
# 0 AMB  20-2:2807     0 AMB  20-1:2807   5.50    (#   2807:20  Double Ambig)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 615, 612, 613,1032,
 igr2= 678, 679, 678, 679,1051,1052,
 &end
#
# 0 AMB  20-2:2811     0 AMB  20-1:2811   4.50    (#   2811:20  Double Ambig)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 549, 550, 551, 553, 554, 555, 563, 564,
 igr2= 536, 537, 536, 537,
 &end
#
# 0 AMB  20-2:2815     0 AMB  20-1:2815   5.50    (#   2815:20  Double Ambig)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 965, 966, 967,1440,1441,1442,1550,1551,
 igr2= 919, 920,1486,1487,1486,1487,
 &end
#
# 0 AMB  20-2:2817     0 AMB  20-1:2817   4.50    (#   2817:20  Double Ambig)
 &rst
  ixpk= 2817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1440,1441,1442,1453,1367,1368,
 igr2=1425,1426,1469,1470,1469,1470,1425,1426,1425,1426,
      
 &end
#
# 0 AMB  20-2:2831     0 AMB  20-1:2831   5.50    (#   2831:20  Double Ambig)
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 582, 583, 675, 676,
 igr2=  41,  42,  41,  42,
 &end
#
# 0 AMB  20-2:2832     0 AMB  20-1:2832   2.80    (#   2832:20  Double Ambig)
 &rst
  ixpk= 2832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1142,1143,1453,
 igr2=1145, 296, 297, 298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:2844     0 AMB  20-1:2844   4.50    (#   2844:20  Double Ambig)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1367,1368,1367,1368,
 &end
#
# 0 AMB  20-2:2846     0 AMB  20-1:2846   5.50    (#   2846:20  Double Ambig)
 &rst
  ixpk= 2846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,
 igr2=1367,1368,1367,1368,
 &end
#
# 0 AMB  20-2:2852     0 AMB  20-1:2852   5.50    (#   2852:20  Double Ambig)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 752, 753, 752, 753,
 &end
#
# 0 AMB  20-2:2861     0 AMB  20-1:2861   5.50    (#   2861:20  Double Ambig)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 200, 201, 200, 201,
 &end
#
# 0 AMB  20-2:2882     0 AMB  20-1:2882   5.50    (#   2882:20  Double Ambig)
 &rst
  ixpk= 2882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 761, 762, 761, 762,  79,  80,
 &end
#
# 0 AMB  20-2:2887     0 AMB  20-1:2887   5.50    (#   2887:20  Double Ambig)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 549, 550, 551, 553, 554, 555, 563, 564,
 igr2= 530, 531, 530, 531,
 &end
#
# 0 AMB  20-2:2888     0 AMB  20-1:2888   4.50    (#   2888:20  Double Ambig)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1370,1371,1367,1368,
 igr2=1386,1387,1386,1387,
 &end
#
# 0 AMB  20-2:2892     0 AMB  20-1:2892   5.50    (#   2892:20  Double Ambig)
 &rst
  ixpk= 2892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 277, 278, 279, 281, 282, 283, 261, 262, 263, 265,
       266, 267,
 igr2= 250, 251, 250, 251,
 &end
#
# 0 AMB  20-2:2894     0 AMB  20-1:2894   5.50    (#   2894:20  Double Ambig)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1=1326,1327,1328,1330,1331,1332,1128,1129,1130,1132,
      1133,1134, 513, 514, 515,
 igr2=1338,1339,1338,1339,1338,1339,
 &end
#
# 0 AMB  20-2:2906     0 AMB  20-1:2906   3.50    (#   2906:20  Double Ambig)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 812, 813, 291, 292, 831, 310, 311, 312,
 igr2= 791, 273,
 &end
#
# 29 CYS  HB3          29 CYS  HA         3.00    (#   2932:20  Unique)
 &rst
  ixpk= 2932, nxpk= 20, iat= 425, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 28 TRP  HA           27 PRO  HA         4.70    (#   2933:20  Unique)
 &rst
  ixpk= 2933, nxpk= 20, iat= 398, 392, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 0 AMB  20-2:2936     0 AMB  20-1:2936   4.50    (#   2936:20  Double Ambig)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2=1469,1470,1469,1470,
 &end
#
# 28 TRP  HD1          28 TRP  HA         4.50    (#    312:20  Unique)
 &rst
  ixpk= 312, nxpk= 20, iat= 404, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 0 AMB  20-2:345      0 AMB  20-1:345    3.50    (#    345:20  Double Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 386, 387, 389, 390,
 igr2= 383, 384, 383, 384,
 &end
#
# 0 AMB  20-2:35       0 AMB  20-1:35     2.80    (#     35:20  Double Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 389, 390, 582, 583, 386, 387,
 igr2= 392, 539,
 &end
#
# 0 AMB  20-2:354      0 AMB  20-1:354    2.80    (#    354:20  Double Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 444, 445,1095,1096,
 igr2=1092,1093,1092,1093,
 &end
#
# 0 AMB  20-2:37       0 AMB  20-1:37     2.80    (#     37:20  Double Ambig)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1516, 593,
 igr2=1518, 545,
 &end
#
# 0 AMB  20-2:373      0 AMB  20-1:373    2.80    (#    373:20  Double Ambig)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1440,1441,1442,1367,1368,
 igr2=1386,1387,1386,1387,
 &end
#
# 0 AMB  20-2:387      0 AMB  20-1:387    3.50    (#    387:20  Double Ambig)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 695, 671,
 igr2= 690, 691, 690, 691,
 &end
#
# 0 AMB  20-2:39       0 AMB  20-1:39     2.80    (#     39:20  Double Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 597, 598,1520,
 igr2= 545,1518,
 &end
#
# 0 AMB  20-2:392      0 AMB  20-1:392    2.80    (#    392:20  Double Ambig)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 971,1028,
 igr2= 973, 974, 973, 974,
 &end
#
# 0 AMB  20-2:40       0 AMB  20-1:40     4.50    (#     40:20  Double Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1409,1410,1501,1502,1550,1551,1589,1590, 615,1161,
      
 igr2= 545,1518,
 &end
#
# 0 AMB  20-2:401      0 AMB  20-1:401    4.50    (#    401:20  Double Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 675, 676, 259,
 igr2= 733, 734, 733, 734,
 &end
#
# 0 AMB  20-2:404      0 AMB  20-1:404    2.80    (#    404:20  Double Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
       743, 744,
 igr2= 733, 734, 733, 734,
 &end
#
# 0 AMB  20-2:410      0 AMB  20-1:410    2.80    (#    410:20  Double Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 224, 226, 227,
 igr2=1228,1229,1228,1229,
 &end
#
# 0 AMB  20-2:42       0 AMB  20-1:42     3.50    (#     42:20  Double Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1163,1164,1165,1167,1168,1169, 617, 618, 619, 621,
       622, 623, 617, 618, 619, 621, 622, 623, 296, 297,
       298, 300, 301, 302,
 igr2=1518, 545,
 &end
#
# 0 AMB  20-2:421      0 AMB  20-1:421    2.80    (#    421:20  Double Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
      1168,1169,
 igr2= 291, 292, 291, 292,
 &end
#
# 0 AMB  20-2:43       0 AMB  20-1:43     3.50    (#     43:20  Double Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1163,1164,1165,1167,1168,1169, 568, 569, 570, 572,
       573, 574,
 igr2=1518, 545,
 &end
#
# 0 AMB  20-2:436      0 AMB  20-1:436    4.50    (#    436:20  Double Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 310, 311, 312,1254,1255,1256,1258,1259,1260,
 igr2=1142,1143,1142,1143,
 &end
#
# 0 AMB  20-2:437      0 AMB  20-1:437    3.50    (#    437:20  Double Ambig)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
      1259,1260,
 igr2=1142,1143,1142,1143,
 &end
#
# 0 AMB  20-2:438      0 AMB  20-1:438    2.80    (#    438:20  Double Ambig)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1182,1183,1184,1186,1187,1188,1145,
 igr2=1142,1143,1142,1143,
 &end
#
# 0 AMB  20-2:478      0 AMB  20-1:478    2.80    (#    478:20  Double Ambig)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 296, 297, 298, 300, 301, 302,1506,1507,1508,1510,
      1511,1512,
 igr2=1123,1124,1123,1124,
 &end
#
# 0 AMB  20-2:490      0 AMB  20-1:490    2.80    (#    490:20  Double Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 783, 784, 785,  41,  42,
 igr2= 631, 632, 631, 632,
 &end
#
# 0 AMB  20-2:498      0 AMB  20-1:498    2.80    (#    498:20  Double Ambig)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2= 612, 613, 612, 613,
 &end
#
# 0 AMB  20-2:500      0 AMB  20-1:500    2.80    (#    500:20  Double Ambig)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=  73,  74, 815, 816, 104, 105, 106,
 igr2=  79,  80,  79,  80,  79,  80,
 &end
#
# 0 AMB  20-2:501      0 AMB  20-1:501    2.80    (#    501:20  Double Ambig)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 711, 712, 468, 469,  76,  77,
 igr2= 720, 721, 474, 475,  79,  80,
 &end
#
# 0 AMB  20-2:504      0 AMB  20-1:504    3.50    (#    504:20  Double Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 389, 390, 259, 487, 488,
 igr2= 474, 475, 720, 721,
 &end
#
# 0 AMB  20-2:507      0 AMB  20-1:507    3.50    (#    507:20  Double Ambig)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  56,  57,  58,  60,  61,  62,1270,1271,1272,1274,
      1275,1276,
 igr2= 761, 762,1559,1560,  79,  80,
 &end
#
# 0 AMB  20-2:509      0 AMB  20-1:509    2.80    (#    509:20  Double Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 985, 986,1370,1371,1254,1255,1256,1258,1259,1260,
      
 igr2= 991, 992,1376,1377, 991, 992,
 &end
#
# 0 AMB  20-2:510      0 AMB  20-1:510    3.50    (#    510:20  Double Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 982, 983, 752, 753,
 igr2= 991, 992, 761, 762,
 &end
#
# 0 AMB  20-2:511      0 AMB  20-1:511    2.80    (#    511:20  Double Ambig)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 988, 989, 988, 989,
 igr2= 991, 992, 991, 992,
 &end
#
# 0 AMB  20-2:518      0 AMB  20-1:518    2.80    (#    518:20  Double Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2= 612, 613, 612, 613,
 &end
#
# 0 AMB  20-2:523      0 AMB  20-1:523    2.80    (#    523:20  Double Ambig)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1550,1551, 758, 759,1556,1557,
 igr2=1559,1560, 761, 762,1559,1560,
 &end
#
# 0 AMB  20-2:524      0 AMB  20-1:524    4.50    (#    524:20  Double Ambig)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1550,1551, 755, 756,
 igr2=1559,1560, 761, 762,
 &end
#
# 0 AMB  20-2:525      0 AMB  20-1:525    3.50    (#    525:20  Double Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1553,1554, 755, 756, 812, 813,
 igr2=1559,1560, 761, 762,  79,  80,
 &end
#
# 0 AMB  20-2:527      0 AMB  20-1:527    3.50    (#    527:20  Double Ambig)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 985, 986,1182,1183,1184,1186,1187,1188,1182,1183,
      1184,1186,1187,1188,
 igr2= 991, 992, 991, 992, 991, 992,
 &end
#
# 0 AMB  20-2:528      0 AMB  20-1:528    2.80    (#    528:20  Double Ambig)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1550,1551,1556,1557,1409,1410,
 igr2=1559,1560,1412,1413,
 &end
#
# 0 AMB  20-2:540      0 AMB  20-1:540    3.50    (#    540:20  Double Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2=1450,1451,1450,1451,
 &end
#
# 0 AMB  20-2:541      0 AMB  20-1:541    2.80    (#    541:20  Double Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1450,1451,1450,1451,
 &end
#
# 0 AMB  20-2:556      0 AMB  20-1:556    3.50    (#    556:20  Double Ambig)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 809, 810,  73,  74,
 igr2= 818, 819, 818, 819,
 &end
#
# 0 AMB  20-2:559      0 AMB  20-1:559    2.80    (#    559:20  Double Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=  37,  38,  39, 568, 569, 570, 572, 573, 574, 568,
       569, 570, 572, 573, 574,
 igr2= 818, 819, 818, 819, 818, 819,
 &end
#
# 0 AMB  20-2:577      0 AMB  20-1:577    2.80    (#    577:20  Double Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 igr2= 563, 564, 563, 564,
 &end
#
# 0 AMB  20-2:580      0 AMB  20-1:580    4.50    (#    580:20  Double Ambig)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 566, 774,
 igr2= 563, 564, 563, 564,
 &end
#
# 0 AMB  20-2:581      0 AMB  20-1:581    2.80    (#    581:20  Double Ambig)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 776, 777, 778, 783, 784, 785,  41,  42,
 igr2= 563, 564, 563, 564, 563, 564,
 &end
#
# 0 AMB  20-2:586      0 AMB  20-1:586    3.50    (#    586:20  Double Ambig)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 807, 318,
 igr2= 320, 321, 320, 321,
 &end
#
# 0 AMB  20-2:61       0 AMB  20-1:61     3.50    (#     61:20  Double Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1072,1044,
 igr2=1065,1066,1065,1066,
 &end
#
# 0 AMB  20-2:638      0 AMB  20-1:638    4.50    (#    638:20  Double Ambig)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 330, 318,
 igr2= 332, 333, 332, 333,
 &end
#
# 0 AMB  20-2:648      0 AMB  20-1:648    2.80    (#    648:20  Double Ambig)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1008,1017,1000,
 igr2=1004,1005,1004,1005,
 &end
#
# 0 AMB  20-2:670      0 AMB  20-1:670    2.80    (#    670:20  Double Ambig)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1425,1426, 660, 661, 597, 598,
 igr2=1428,1429, 663, 664, 663, 664,
 &end
#
# 0 AMB  20-2:671      0 AMB  20-1:671    2.80    (#    671:20  Double Ambig)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1423, 934,
 igr2=1428,1429, 939, 940,
 &end
#
# 0 AMB  20-2:672      0 AMB  20-1:672    2.80    (#    672:20  Double Ambig)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1425,1426, 563, 564,
 igr2=1428,1429, 585, 586,
 &end
#
# 0 AMB  20-2:673      0 AMB  20-1:673    3.50    (#    673:20  Double Ambig)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 888, 539,
 igr2= 893, 894, 585, 586,
 &end
#
# 0 AMB  20-2:674      0 AMB  20-1:674    3.50    (#    674:20  Double Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 890, 891,1403,1404,
 igr2= 893, 894,1428,1429,
 &end
#
# 0 AMB  20-2:676      0 AMB  20-1:676    2.80    (#    676:20  Double Ambig)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 595, 934,
 igr2= 600, 601, 939, 940,
 &end
#
# 0 AMB  20-2:688      0 AMB  20-1:688    3.50    (#    688:20  Double Ambig)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 578,1477,1478,
 igr2= 585, 586,1428,1429,
 &end
#
# 0 AMB  20-2:697      0 AMB  20-1:697    2.80    (#    697:20  Double Ambig)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 936, 937, 237, 238,
 igr2= 939, 940, 240, 241,
 &end
#
# 0 AMB  20-2:712      0 AMB  20-1:712    3.50    (#    712:20  Double Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1194, 257,
 igr2=1196,1197,1196,1197,
 &end
#
# 0 AMB  20-2:736      0 AMB  20-1:736    5.50    (#    736:20  Double Ambig)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 818, 819, 320, 321,
 igr2= 809, 810, 809, 810,
 &end
#
# 0 AMB  20-2:755      0 AMB  20-1:755    4.50    (#    755:20  Double Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2=1472,1473,1472,1473,
 &end
#
# 0 AMB  20-2:772      0 AMB  20-1:772    2.80    (#    772:20  Double Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 919, 920, 128, 129,
 igr2= 922, 923, 131, 132,
 &end
#
# 0 AMB  20-2:776      0 AMB  20-1:776    2.80    (#    776:20  Double Ambig)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1556,1557,1161,1501,1502,1550,1551,
 igr2=1287,1288,1287,1288,1287,1288,1287,1288,
 &end
#
# 0 AMB  20-2:782      0 AMB  20-1:782    4.50    (#    782:20  Double Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 318, 330,
 igr2=1098,1099,1098,1099,
 &end
#
# 0 AMB  20-2:788      0 AMB  20-1:788    3.50    (#    788:20  Double Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 259, 682, 683, 684,
 igr2= 711, 712, 711, 712,
 &end
#
# 0 AMB  20-2:796      0 AMB  20-1:796    3.50    (#    796:20  Double Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 116, 117, 905, 906,
 igr2= 131, 132, 922, 923,
 &end
#
# 0 AMB  20-2:807      0 AMB  20-1:807    4.50    (#    807:20  Double Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1044, 255,
 igr2=1048,1049, 711, 712,
 &end
#
# 0 AMB  20-2:81       0 AMB  20-1:81     4.50    (#     81:20  Double Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 965, 966, 967, 187, 188, 189,
 igr2= 860, 226, 227,
 &end
#
# 0 AMB  20-2:814      0 AMB  20-1:814    2.80    (#    814:20  Double Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 678, 679,1051,1052,
 igr2= 675, 676,1048,1049,
 &end
#
# 0 AMB  20-2:815      0 AMB  20-1:815    2.80    (#    815:20  Double Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1270,1271,1272,1274,1275,1276,1326,1327,1328,1330,
      1331,1332,
 igr2=1268,1324,
 &end
#
# 0 AMB  20-2:829      0 AMB  20-1:829    2.80    (#    829:20  Double Ambig)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1287,1288, 490, 491,
 igr2=1284,1285, 487, 488,
 &end
#
# 0 AMB  20-2:835      0 AMB  20-1:835    2.80    (#    835:20  Double Ambig)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  73,  74, 809, 810,
 igr2=  70,  71,  70,  71,
 &end
#
# 0 AMB  20-2:860      0 AMB  20-1:860    4.50    (#    860:20  Double Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 490, 491,1392,1393,
 igr2= 487, 488,1403,1404,
 &end
#
# 0 AMB  20-2:874      0 AMB  20-1:874    2.80    (#    874:20  Double Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1406,1407, 104, 105, 106,
 igr2=1403,1404, 890, 891,
 &end
#
# 0 AMB  20-2:880      0 AMB  20-1:880    3.50    (#    880:20  Double Ambig)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 673,1063,
 igr2= 678, 679,1051,1052,
 &end
#
# 0 AMB  20-2:884      0 AMB  20-1:884    2.80    (#    884:20  Double Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 386, 387, 487, 488,
 igr2= 389, 390, 490, 491,
 &end
#
# 0 AMB  20-2:886      0 AMB  20-1:886    4.50    (#    886:20  Double Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 673,1063,
 igr2= 678, 679,1051,1052,
 &end
#
# 0 AMB  20-2:901      0 AMB  20-1:901    2.80    (#    901:20  Double Ambig)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 893, 894,1428,1429,
 igr2= 890, 891,1403,1404,
 &end
#
# 0 AMB  20-2:904      0 AMB  20-1:904    3.50    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 850, 851,1428,1429,
 igr2= 890, 891,1403,1404,
 &end
#
# 0 AMB  20-2:911      0 AMB  20-1:911    3.50    (#    911:20  Double Ambig)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1548,1499,
 igr2=1550,1551,1550,1551,
 &end
#
# 0 AMB  20-2:915      0 AMB  20-1:915    2.80    (#    915:20  Double Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 675, 676,1048,1049,
 igr2= 678, 679,1051,1052,
 &end
#
# 0 AMB  20-2:929      0 AMB  20-1:929    2.80    (#    929:20  Double Ambig)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 985, 986,1163,1164,1165,1167,1168,1169,
 igr2= 982, 983,1161,
 &end
#
# 0 AMB  20-2:943      0 AMB  20-1:943    4.50    (#    943:20  Double Ambig)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 483, 361,
 igr2= 490, 491, 389, 390,
 &end
#
# 0 AMB  20-2:947      0 AMB  20-1:947    3.50    (#    947:20  Double Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1250, 432, 433,
 igr2=1252, 465, 466,
 &end
#
# 0 AMB  20-2:963      0 AMB  20-1:963    2.80    (#    963:20  Double Ambig)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 441, 442, 490, 491,
 igr2= 444, 445, 444, 445,
 &end
#
# 0 AMB  20-2:982      0 AMB  20-1:982    2.80    (#    982:20  Double Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 663, 664,1472,1473,
 igr2= 660, 661, 660, 661,
 &end
#
# 0 AMB  20-2:998      0 AMB  20-1:998    2.80    (#    998:20  Double Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1205,1206,  79,  80,
 igr2=1202,1203,  76,  77,
 &end
#
# 0 AMB  20-2:999      0 AMB  20-1:999    2.80    (#    999:20  Double Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  73,  74,1196,1197, 815, 816,
 igr2=  76,  77,1202,1203,  76,  77,
 &end
#
# 0 AMB  20-2:100     35 ILE  HA          3.50    (#    100:20  Single Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 504, 533, 534,
 &end
#
# 0 AMB  20-2:1014    35 ILE  HG1-        2.80    (#   1014:20  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 513, 514, 515, 549, 550, 551, 553, 554, 555,
 igr2= 510, 511,
 &end
#
# 0 AMB  20-2:1033    66 LYS  HD-         3.50    (#   1033:20  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 985, 986,1182,1183,1184,1186,1187,1188,
 igr2= 988, 989,
 &end
#
# 0 AMB  20-2:1035    54 LYS  HD-         3.50    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 809, 810,  73,  74,
 igr2= 815, 816,
 &end
#
# 0 AMB  20-2:1037    54 LYS  HD-         3.50    (#   1037:20  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  37,  38,  39, 568, 569, 570, 572, 573, 574,
 igr2= 815, 816,
 &end
#
# 0 AMB  20-2:1069    75 LEU  HG          3.50    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,1126, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1123,1124, 294,
 &end
#
# 0 AMB  20-2:107     12 SER  HA          3.50    (#    107:20  Single Ambig)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 183, 193,
 &end
#
# 0 AMB  20-2:1071    55 ILE  HG1-        3.50    (#   1071:20  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 829, 100,
 igr2= 837, 838,
 &end
#
# 0 AMB  20-2:1111    31 PRO  HG-         4.50    (#   1111:20  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 447, 453,
 igr2= 441, 442,
 &end
#
# 0 AMB  20-2:1121    52 ILE  HG1-        3.50    (#   1121:20  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 770, 287, 789,
 igr2= 780, 781,
 &end
#
# 0 AMB  20-2:1123    52 ILE  HG1-        2.80    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744, 738,
       739, 740, 742, 743, 744,
 igr2= 780, 781,
 &end
#
# 0 AMB  20-2:115      3 ILE  HA          2.80    (#    115:20  Single Ambig)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  50, 770,
 &end
#
# 0 AMB  20-2:1161    50 LEU  HG          2.80    (#   1161:20  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 780, 781, 733, 734,
 &end
#
# 0 AMB  20-2:1162    50 LEU  HG          2.80    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 738, 739, 740, 742, 743, 744, 783, 784, 785,
 &end
#
# 0 AMB  20-2:1180    42 LEU  HG          2.80    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 617, 618, 619, 621, 622, 623, 296, 297, 298, 300,
       301, 302,
 &end
#
# 0 AMB  20-2:119      3 ILE  HA          2.80    (#    119:20  Single Ambig)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=  41,  42, 776, 777, 778,
 &end
#
# 0 AMB  20-2:1191    76 LEU  HG          3.50    (#   1191:20  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 338, 342,1008,1017,
 &end
#
# 0 AMB  20-2:1197    39 LEU  HG          2.80    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
# 0 AMB  20-2:1207    96 LEU  HG          2.80    (#   1207:20  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 &end
#
# 0 AMB  20-2:1210    96 LEU  MDX         2.80    (#   1210:20  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1367,1368,1453,1440,1441,1442,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 0 AMB  20-2:1213    75 LEU  MDX         3.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 328,1138,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:1216    75 LEU  MDX         3.50    (#   1216:20  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 320, 321,1098,1099,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:1219    75 LEU  MDX         2.80    (#   1219:20  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1123,1124,1373,1374, 294,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:1220    75 LEU  MDX         2.80    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
       573, 574,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:1221    75 LEU  MDX         2.80    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:1227    96 LEU  MDX         2.80    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1450,1451,1126, 566,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 0 AMB  20-2:1228    96 LEU  MDX         3.50    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1370,1371,1406,1407,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 0 AMB  20-2:1230    96 LEU  MDX         2.80    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 549, 550, 551, 553, 554, 555,1128,1129,1130,1132,
      1133,1134, 513, 514, 515,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 0 AMB  20-2:1246    79 LYS  HG-         4.50    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 257,1194,
 igr2=1199,1200,
 &end
#
# 0 AMB  20-2:1257    42 LEU  MDX         4.50    (#   1257:20  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1472,1473, 597, 598,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1258    42 LEU  MDX         2.80    (#   1258:20  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 660, 661, 682, 683, 684,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1269    42 LEU  MDX         2.80    (#   1269:20  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 612, 613, 615,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1272    42 LEU  MDY         3.50    (#   1272:20  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 660, 661, 682, 683, 684,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1273    42 LEU  MDY         2.80    (#   1273:20  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 612, 613, 615,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 0 AMB  20-2:1290    21 LEU  MDX         2.80    (#   1290:20  Single Ambig)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 289, 308,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:1292    21 LEU  MDX         2.80    (#   1292:20  Single Ambig)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1123,1124, 294,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:1304    54 LYS  HG-         4.50    (#   1304:20  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 320, 321, 818, 819,
 igr2= 812, 813,
 &end
#
# 0 AMB  20-2:1313    76 LEU  MDX         2.80    (#   1313:20  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1301,1302,1303,1111,1112,1113,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 0 AMB  20-2:1314    76 LEU  MDX         2.80    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1145,1182,1183,1184,1186,1187,1188,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 0 AMB  20-2:1316    99 LEU  MDY         4.50    (#   1316:20  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1497,1546,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 0 AMB  20-2:1321    99 LEU  MDY         2.80    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1556,1557,1123,1124,1161,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 0 AMB  20-2:1331    99 LEU  MDX         4.50    (#   1331:20  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1497,1546,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 0 AMB  20-2:1350   104 LEU  MDY         2.80    (#   1350:20  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 682, 683, 684, 259,1520,
 igr2=1594,1595,1596,1598,1599,1600,
 &end
#
# 0 AMB  20-2:1351   104 LEU  MDY         2.80    (#   1351:20  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 711, 712,1592,
 igr2=1594,1595,1596,1598,1599,1600,
 &end
#
# 0 AMB  20-2:1357    50 LEU  MDX         4.50    (#   1357:20  Single Ambig)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 273, 772,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 0 AMB  20-2:1359    50 LEU  MDX         3.50    (#   1359:20  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 259,1520, 682, 683, 684, 660, 661,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 0 AMB  20-2:1362     6 ALA  MB          4.50    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 197, 198,  70,  71,
 igr2=  92,  93,  94,
 &end
#
# 0 AMB  20-2:1364     6 ALA  MB          5.50    (#   1364:20  Single Ambig)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 152,  66,
 igr2=  92,  93,  94,
 &end
#
# 0 AMB  20-2:1368     6 ALA  MB          2.80    (#   1368:20  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2=  92,  93,  94,
 &end
#
# 0 AMB  20-2:1370     6 ALA  MB          4.50    (#   1370:20  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 833, 834, 835, 214, 215, 216,
 igr2=  92,  93,  94,
 &end
#
# 0 AMB  20-2:1382    83 VAL  MGY         4.50    (#   1382:20  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1142,1143, 982, 983,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 0 AMB  20-2:1383    83 VAL  MGY         3.50    (#   1383:20  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1142,1143, 988, 989,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 0 AMB  20-2:1400   100 VAL  MGX         2.80    (#   1400:20  Single Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1520, 682, 683, 684,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 0 AMB  20-2:1405    19 VAL  MGX         2.80    (#   1405:20  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 257,1194,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:1410    19 VAL  MGX         2.80    (#   1410:20  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1202,1203, 711, 712,1592,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:1411    19 VAL  MGX         4.50    (#   1411:20  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1589,1590,1161,1550,1551,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:1412    19 VAL  MGX         2.80    (#   1412:20  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1199,1200,1196,1197,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:1415   100 VAL  MGX         3.50    (#   1415:20  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1504,1589,1590,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 0 AMB  20-2:1420    39 LEU  MDX         2.80    (#   1420:20  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 566,1126,1450,1451,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  20-2:1421    39 LEU  MDX         2.80    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 612, 613, 615, 809, 810,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  20-2:1422    39 LEU  MDX         2.80    (#   1422:20  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 563, 564, 815, 816,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  20-2:1424    39 LEU  MDX         2.80    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1128,1129,1130,1132,1133,1134, 780, 781,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  20-2:1432    20 VAL  MGX         3.50    (#   1432:20  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 755, 756, 310, 311, 312,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1434    20 VAL  MGX         3.50    (#   1434:20  Single Ambig)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 287, 770,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1435    20 VAL  MGX         4.50    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 233, 748,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1436    20 VAL  MGX         2.80    (#   1436:20  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 273, 772,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1440    20 VAL  MGX         2.80    (#   1440:20  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 752, 753, 275,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1444    53 VAL  MGX         2.80    (#   1444:20  Single Ambig)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  92,  93,  94, 831,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:1452    38 VAL  MGY         2.80    (#   1452:20  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 502,1395,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1453    38 VAL  MGY         5.50    (#   1453:20  Single Ambig)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 521,1448, 580,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1456    38 VAL  MGY         4.50    (#   1456:20  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 536, 537,1472,1473,1428,1429,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1457    38 VAL  MGY         2.80    (#   1457:20  Single Ambig)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 533, 534, 504,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1462    38 VAL  MGY         4.50    (#   1462:20  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1468    84 VAL  MGY         2.80    (#   1468:20  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1196,1197,1202,1203,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 0 AMB  20-2:1480   100 VAL  MGY         2.80    (#   1480:20  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1520, 682, 683, 684,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 0 AMB  20-2:1482   100 VAL  MGY         4.50    (#   1482:20  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615,1589,1590,1501,1502,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 0 AMB  20-2:1484    53 VAL  MGX         2.80    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 789, 805,  50, 770,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:1485    53 VAL  MGY         2.80    (#   1485:20  Single Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 791, 772, 807,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:1486    53 VAL  MGY         3.50    (#   1486:20  Single Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 197, 198, 752, 753,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:1488    53 VAL  MGY         2.80    (#   1488:20  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=  56,  57,  58,  60,  61,  62,  56,  57,  58,  60,
        61,  62,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:1490     7 THR  MG2         4.50    (#   1490:20  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 112,  88,
 igr2= 104, 105, 106,
 &end
#
# 0 AMB  20-2:150     93 LYS  HA          2.80    (#    150:20  Single Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1450,1451,1403,1404,
 &end
#
# 0 AMB  20-2:1502   100 VAL  MGY         2.80    (#   1502:20  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
       301, 302, 617, 618, 619, 621, 622, 623,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 0 AMB  20-2:1508    38 VAL  MGX         5.50    (#   1508:20  Single Ambig)
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1392,1393, 663, 664, 585, 586,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1514    77 VAL  MGY         4.50    (#   1514:20  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1280,1516,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 0 AMB  20-2:1515    77 VAL  MGY         3.50    (#   1515:20  Single Ambig)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289,1140,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 0 AMB  20-2:1520    77 VAL  MGY         2.80    (#   1520:20  Single Ambig)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1161,1123,1124,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 0 AMB  20-2:1525    20 VAL  MGY         3.50    (#   1525:20  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 308, 289,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1526    20 VAL  MGY         2.80    (#   1526:20  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 273, 772,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:1529    20 VAL  MGY         2.80    (#   1529:20  Single Ambig)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 752, 753, 275, 237, 238,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 0 AMB  20-2:153     93 LYS  HA          3.50    (#    153:20  Single Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 &end
#
# 0 AMB  20-2:1534    53 VAL  MGY         4.50    (#   1534:20  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 761, 762, 320, 321,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:1536    22 ALA  MB          3.50    (#   1536:20  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1147,1148,1149,1151,1152,1153,1128,1129,1130,1132,
      1133,1134,1254,1255,1256,1258,1259,1260,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1539    22 ALA  MB          3.50    (#   1539:20  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1138, 328,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1540    22 ALA  MB          4.50    (#   1540:20  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 789, 805, 770,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1544    22 ALA  MB          4.50    (#   1544:20  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 318, 807, 791, 772,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1546    22 ALA  MB          2.80    (#   1546:20  Single Ambig)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1142,1143, 793,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1548    22 ALA  MB          2.80    (#   1548:20  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1182,1183,1184,1186,1187,1188,1182,1183,1184,1186,
      1187,1188, 277, 278, 279, 281, 282, 283,1145,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1549    22 ALA  MB          2.80    (#   1549:20  Single Ambig)
 &rst
  ixpk= 1549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 310, 311, 312,
 &end
#
# 0 AMB  20-2:1556    38 VAL  MGX         2.80    (#   1556:20  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1409,1410, 615,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:1558    77 VAL  MGX         5.50    (#   1558:20  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1280,1516,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 0 AMB  20-2:1565    63 THR  MG2         4.50    (#   1565:20  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 338, 342,1008,1017,
 igr2= 953, 954, 955,
 &end
#
# 0 AMB  20-2:1571    63 THR  MG2         3.50    (#   1571:20  Single Ambig)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 833, 834, 835, 214, 215, 216,
 igr2= 953, 954, 955,
 &end
#
# 0 AMB  20-2:1575     4 VAL  MGY         2.80    (#   1575:20  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  50, 770,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1577     4 VAL  MGY         4.50    (#   1577:20  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 791, 772, 273,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1580     4 VAL  MGY         4.50    (#   1580:20  Single Ambig)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 761, 762,  79,  80,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1583     4 VAL  MGY         2.80    (#   1583:20  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 755, 756,  25,  26,  27,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1584     4 VAL  MGY         2.80    (#   1584:20  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1590    19 VAL  MGY         2.80    (#   1590:20  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 257,1194,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:1593    19 VAL  MGY         2.80    (#   1593:20  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1202,1203, 711, 712,1592,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:1628    86 THR  MG2         2.80    (#   1628:20  Single Ambig)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1326,1327,1328,1330,1331,1332,1254,1255,1256,1258,
      1259,1260,
 igr2=1301,1302,1303,
 &end
#
# 0 AMB  20-2:1629     4 VAL  MGX         3.50    (#   1629:20  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  50, 770,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1633     4 VAL  MGX         4.50    (#   1633:20  Single Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 755, 756,  25,  26,  27,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 0 AMB  20-2:1643    26 ALA  MB          4.50    (#   1643:20  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 425, 878, 879,
 igr2= 376, 377, 378,
 &end
#
# 0 AMB  20-2:1649    69 VAL  MGX         3.50    (#   1649:20  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 336, 344, 338, 342,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 0 AMB  20-2:165     41 GLU  HA          2.80    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 593, 639,
 &end
#
# 0 AMB  20-2:1668    72 ILE  QG2         4.50    (#   1668:20  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1101, 330,
 igr2=1078,1079,1080,
 &end
#
# 0 AMB  20-2:167     41 GLU  HA          2.80    (#    167:20  Single Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 643, 644, 597, 598,
 &end
#
# 0 AMB  20-2:1673    72 ILE  QG2         2.80    (#   1673:20  Single Ambig)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 864, 865, 866, 868, 869, 870,1082,1083,
 igr2=1078,1079,1080,
 &end
#
# 0 AMB  20-2:168     98 GLU  HA          2.80    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1486,1487,1469,1470,
 &end
#
# 0 AMB  20-2:1687    15 THR  MG2         4.50    (#   1687:20  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 275, 197, 198,
 igr2= 214, 215, 216,
 &end
#
# 0 AMB  20-2:1688    15 THR  MG2         4.50    (#   1688:20  Single Ambig)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 793,1142,1143,
 igr2= 214, 215, 216,
 &end
#
# 0 AMB  20-2:169     40 GLU  HA          4.50    (#    169:20  Single Ambig)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 593, 639,
 &end
#
# 0 AMB  20-2:1690    15 THR  MG2         2.80    (#   1690:20  Single Ambig)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1182,1183,1184,1186,1187,1188, 277, 278, 279, 281,
       282, 283,
 igr2= 214, 215, 216,
 &end
#
# 0 AMB  20-2:1691    15 THR  MG2         2.80    (#   1691:20  Single Ambig)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 214, 215, 216,
 &end
#
# 0 AMB  20-2:1694    95 ALA  MB          2.80    (#   1694:20  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1438,1365,
 igr2=1440,1441,1442,
 &end
#
# 0 AMB  20-2:1697    95 ALA  MB          4.50    (#   1697:20  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1425,1426,1469,1470,
 igr2=1440,1441,1442,
 &end
#
# 0 AMB  20-2:1700    95 ALA  MB          4.50    (#   1700:20  Single Ambig)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1440,1441,1442,
 &end
#
# 0 AMB  20-2:1707    57 VAL  MGY         2.80    (#   1707:20  Single Ambig)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1085,1086,1087, 376, 377, 378,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 0 AMB  20-2:1709    13 ALA  MB          2.80    (#   1709:20  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 183, 193,
 igr2= 187, 188, 189,
 &end
#
# 0 AMB  20-2:1715    84 VAL  MGX         3.50    (#   1715:20  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1280,1233,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 0 AMB  20-2:1719    84 VAL  MGX         3.50    (#   1719:20  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1240,1241,1287,1288,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 0 AMB  20-2:1721    84 VAL  MGX         3.50    (#   1721:20  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1196,1197,1202,1203,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 0 AMB  20-2:1723    84 VAL  MGX         3.50    (#   1723:20  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1196,1197,1199,1200,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 0 AMB  20-2:1725    84 VAL  MGX         4.50    (#   1725:20  Single Ambig)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1506,1507,1508,1510,1511,1512,1182,1183,1184,1186,
      1187,1188,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 0 AMB  20-2:1731    64 ALA  MB          2.80    (#   1731:20  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 971,1028,
 igr2= 965, 966, 967,
 &end
#
# 0 AMB  20-2:1741    52 ILE  QG2         2.80    (#   1741:20  Single Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 789, 805,  50,
 igr2= 776, 777, 778,
 &end
#
# 0 AMB  20-2:1742    52 ILE  QG2         2.80    (#   1742:20  Single Ambig)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 772, 791,
 igr2= 776, 777, 778,
 &end
#
# 0 AMB  20-2:1747    52 ILE  QG2         4.50    (#   1747:20  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 291, 292, 812, 813,
 igr2= 776, 777, 778,
 &end
#
# 0 AMB  20-2:1748    52 ILE  QG2         2.80    (#   1748:20  Single Ambig)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574, 296, 297, 298, 300, 301, 302,
 igr2= 776, 777, 778,
 &end
#
# 0 AMB  20-2:1756    46 MET  ME          4.50    (#   1756:20  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 711, 712,1592,
 igr2= 682, 683, 684,
 &end
#
# 0 AMB  20-2:1757    46 MET  ME          5.50    (#   1757:20  Single Ambig)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1589,1590,1504,
 igr2= 682, 683, 684,
 &end
#
# 0 AMB  20-2:1760    46 MET  ME          3.50    (#   1760:20  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2= 682, 683, 684,
 &end
#
# 0 AMB  20-2:1772     3 ILE  QG2         2.80    (#   1772:20  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  50, 805, 770,
 igr2=  37,  38,  39,
 &end
#
# 0 AMB  20-2:1774     3 ILE  QG2         4.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 791, 772, 807,
 igr2=  37,  38,  39,
 &end
#
# 0 AMB  20-2:1778     3 ILE  QG2         2.80    (#   1778:20  Single Ambig)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  35, 809, 810,
 igr2=  37,  38,  39,
 &end
#
# 0 AMB  20-2:178     97 GLN  HA          2.80    (#    178:20  Single Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1469,1470,1520, 682, 683, 684,
 &end
#
# 0 AMB  20-2:1796    35 ILE  QG2         2.80    (#   1796:20  Single Ambig)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1095,1096, 566,
 igr2= 506, 507, 508,
 &end
#
# 0 AMB  20-2:1799    35 ILE  QG2         2.80    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 igr2= 506, 507, 508,
 &end
#
# 0 AMB  20-2:1803    72 ILE  QD1         5.50    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 367, 363,
 igr2=1085,1086,1087,
 &end
#
# 0 AMB  20-2:1810    72 ILE  QD1         2.80    (#   1810:20  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 864, 865, 866, 868, 869, 870,1082,1083,
 igr2=1085,1086,1087,
 &end
#
# 0 AMB  20-2:1822    35 ILE  QG2         4.50    (#   1822:20  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 563, 564, 549, 550, 551, 553, 554, 555,
 igr2= 506, 507, 508,
 &end
#
# 0 AMB  20-2:1828    55 ILE  QG2         3.50    (#   1828:20  Single Ambig)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 330, 807,
 igr2= 833, 834, 835,
 &end
#
# 0 AMB  20-2:184     97 GLN  HA          3.50    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  20-2:1841    36 ALA  MB          5.50    (#   1841:20  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 539, 502, 392,
 igr2= 523, 524, 525,
 &end
#
# 0 AMB  20-2:1845    36 ALA  MB          4.50    (#   1845:20  Single Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 533, 534, 504, 487, 488,
 igr2= 523, 524, 525,
 &end
#
# 0 AMB  20-2:1848    36 ALA  MB          4.50    (#   1848:20  Single Ambig)
 &rst
  ixpk= 1848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 igr2= 523, 524, 525,
 &end
#
# 0 AMB  20-2:1853    55 ILE  QD1         4.50    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 100, 829,
 igr2= 840, 841, 842,
 &end
#
# 0 AMB  20-2:1855    55 ILE  QD1         3.50    (#   1855:20  Single Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 905, 906, 116, 117,
 igr2= 840, 841, 842,
 &end
#
# 0 AMB  20-2:1858    55 ILE  QD1         2.80    (#   1858:20  Single Ambig)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 831,  92,  93,  94,
 igr2= 840, 841, 842,
 &end
#
# 0 AMB  20-2:1879    35 ILE  QD1         4.50    (#   1879:20  Single Ambig)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 502,1395,
 igr2= 513, 514, 515,
 &end
#
# 0 AMB  20-2:1886    35 ILE  QD1         2.80    (#   1886:20  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2= 513, 514, 515,
 &end
#
# 0 AMB  20-2:1896     3 ILE  QD1         4.50    (#   1896:20  Single Ambig)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 582, 583, 818, 819,
 igr2=  44,  45,  46,
 &end
#
# 0 AMB  20-2:1898     3 ILE  QD1         4.50    (#   1898:20  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 774, 566,
 igr2=  44,  45,  46,
 &end
#
# 0 AMB  20-2:1925    74 THR  HA          3.50    (#   1925:20  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1128,1129,1130,1132,1133,1134,1326,1327,1328,1330,
      1331,1332,1147,1148,1149,1151,1152,1153,
 &end
#
# 0 AMB  20-2:1937    19 VAL  HA          2.80    (#   1937:20  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
       282, 283,
 &end
#
# 0 AMB  20-2:1942    77 VAL  HA          5.50    (#   1942:20  Single Ambig)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1161,1284,1285,
 &end
#
# 0 AMB  20-2:1943    77 VAL  HA          2.80    (#   1943:20  Single Ambig)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1163,1164,1165,1167,1168,1169, 296, 297, 298, 300,
       301, 302,1182,1183,1184,1186,1187,1188,
 &end
#
# 0 AMB  20-2:1949    52 ILE  HA          2.80    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 789, 770,
 &end
#
# 0 AMB  20-2:1952    52 ILE  HA          2.80    (#   1952:20  Single Ambig)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 776, 777, 778, 277, 278, 279, 281, 282, 283, 783,
       784, 785, 738, 739, 740, 742, 743, 744, 296, 297,
       298, 300, 301, 302,
 &end
#
# 0 AMB  20-2:1956    20 VAL  HA          2.80    (#   1956:20  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 752, 753, 275,
 &end
#
# 0 AMB  20-2:1957    20 VAL  HA          2.80    (#   1957:20  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 277, 278, 279, 281, 282, 283, 738, 739, 740, 742,
       743, 744,
 &end
#
# 0 AMB  20-2:1959    53 VAL  HA          2.80    (#   1959:20  Single Ambig)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 805,  50, 789,
 &end
#
# 0 AMB  20-2:1962    53 VAL  HA          2.80    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  20-2:1965    24 PHE  HA          3.50    (#   1965:20  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 336, 344, 338, 342,
 &end
#
# 0 AMB  20-2:1967    24 PHE  HA          4.50    (#   1967:20  Single Ambig)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 864, 865, 866, 868, 869, 870, 831, 310, 311, 312,
      
 &end
#
# 0 AMB  20-2:1974    54 LYS  HA          3.50    (#   1974:20  Single Ambig)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 805, 789,
 &end
#
# 0 AMB  20-2:1976    54 LYS  HA          3.50    (#   1976:20  Single Ambig)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 320, 321, 818, 819,
 &end
#
# 0 AMB  20-2:1987    79 LYS  HA          4.50    (#   1987:20  Single Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1196,1197,1202,1203,
 &end
#
# 0 AMB  20-2:1994    78 LEU  HA          2.80    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1180,1177,1178,
 &end
#
# 0 AMB  20-2:1995    78 LEU  HA          3.50    (#   1995:20  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1182,1183,1184,1186,1187,1188,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:2000    75 LEU  HA          2.80    (#   2000:20  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1138, 328,
 &end
#
# 0 AMB  20-2:2013    60 ASN  HA          3.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 905, 906, 116, 117,
 &end
#
# 0 AMB  20-2:202     66 LYS  HA          4.50    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1000,1008,1017,
 &end
#
# 0 AMB  20-2:2037    22 ALA  HA          3.50    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 791, 807, 318,
 &end
#
# 0 AMB  20-2:2039    22 ALA  HA          3.50    (#   2039:20  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  20-2:2041    22 ALA  HA          4.50    (#   2041:20  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 296, 297, 298, 300, 301, 302, 277, 278, 279, 281,
       282, 283,1182,1183,1184,1186,1187,1188,
 &end
#
# 0 AMB  20-2:205     67 TYR  HA          2.80    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1008,1017,1000,
 &end
#
# 0 AMB  20-2:2075   100 VAL  HA          5.50    (#   2075:20  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1497,
 &end
#
# 0 AMB  20-2:2085    83 VAL  HA          5.50    (#   2085:20  Single Ambig)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1266,1235,
 &end
#
# 0 AMB  20-2:2093    87 SER  HB-         5.50    (#   2093:20  Single Ambig)
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1111,1112,1113,1301,1302,1303,
 igr2=1313,1314,
 &end
#
# 0 AMB  20-2:2095    87 SER  HB-         4.50    (#   2095:20  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
       301, 302,
 igr2=1313,1314,
 &end
#
# 0 AMB  20-2:2097    87 SER  HB-         5.50    (#   2097:20  Single Ambig)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1313,1314,
 &end
#
# 0 AMB  20-2:2099    11 PHE  HA          4.50    (#   2099:20  Single Ambig)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 193, 183,
 &end
#
# 0 AMB  20-2:2112    32 CYS  HA          4.50    (#   2112:20  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 504, 487, 488,
 &end
#
# 0 AMB  20-2:2118    12 SER  HA          5.50    (#   2118:20  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 187, 188, 189, 988, 989, 793,
 &end
#
# 0 AMB  20-2:2120    35 ILE  HA          3.50    (#   2120:20  Single Ambig)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 547, 490, 491,
 &end
#
# 0 AMB  20-2:2127    16 SER  HA          5.50    (#   2127:20  Single Ambig)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
      1187,1188,
 &end
#
# 0 AMB  20-2:2130    93 LYS  HA          4.50    (#   2130:20  Single Ambig)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1453,1440,1441,1442,
 &end
#
# 0 AMB  20-2:2131    90 PHE  HA          5.50    (#   2131:20  Single Ambig)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 510, 511, 494, 495, 496,
 &end
#
# 0 AMB  20-2:2134    90 PHE  HA          5.50    (#   2134:20  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1095,1096, 444, 445,
 &end
#
# 0 AMB  20-2:2136    92 PRO  HA          4.50    (#   2136:20  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1386,1387,1401,
 &end
#
# 0 AMB  20-2:2137    93 LYS  HA          5.50    (#   2137:20  Single Ambig)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1395, 502,
 &end
#
# 0 AMB  20-2:2143    94 GLU  HA          4.50    (#   2143:20  Single Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1403,1404,1450,1451,
 &end
#
# 0 AMB  20-2:2161    42 LEU  HA          3.50    (#   2161:20  Single Ambig)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 663, 664,1472,1473, 597, 598,
 &end
#
# 0 AMB  20-2:2188    79 LYS  HB-         5.50    (#   2188:20  Single Ambig)
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1214,1264,
 igr2=1196,1197,
 &end
#
# 0 AMB  20-2:2211     3 ILE  HB          5.50    (#   2211:20  Single Ambig)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  50, 770, 805,
 &end
#
# 0 AMB  20-2:2220    54 LYS  HD-         5.50    (#   2220:20  Single Ambig)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 789,  50,
 igr2= 815, 816,
 &end
#
# 0 AMB  20-2:2221    75 LEU  HG          5.50    (#   2221:20  Single Ambig)
 &rst
  ixpk= 2221, nxpk= 20, iat=  -1,1126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1138, 328,
 &end
#
# 0 AMB  20-2:2224     3 ILE  HG1-        5.50    (#   2224:20  Single Ambig)
 &rst
  ixpk= 2224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 770,  50, 805, 789,
 igr2=  41,  42,
 &end
#
# 0 AMB  20-2:2228    75 LEU  MDX         5.50    (#   2228:20  Single Ambig)
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 316,1309,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:2231    79 LYS  HG-         5.50    (#   2231:20  Single Ambig)
 &rst
  ixpk= 2231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1214,1264,
 igr2=1199,1200,
 &end
#
# 0 AMB  20-2:2235    19 VAL  MGX         5.50    (#   2235:20  Single Ambig)
 &rst
  ixpk= 2235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1214,1264,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:2242     2 ALA  MB          5.50    (#   2242:20  Single Ambig)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  50, 770,
 igr2=  25,  26,  27,
 &end
#
# 0 AMB  20-2:2244    55 ILE  QD1         4.50    (#   2244:20  Single Ambig)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 112,  88,
 igr2= 840, 841, 842,
 &end
#
# 0 AMB  20-2:2245    55 ILE  QD1         5.50    (#   2245:20  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 827,1138,
 igr2= 840, 841, 842,
 &end
#
# 0 AMB  20-2:2246     3 ILE  QD1         5.50    (#   2246:20  Single Ambig)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 770,  50, 805, 789,
 igr2=  44,  45,  46,
 &end
#
# 0 AMB  20-2:2251    15 THR  MG2         5.50    (#   2251:20  Single Ambig)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 193, 183,
 igr2= 214, 215, 216,
 &end
#
# 0 AMB  20-2:2261     3 ILE  QD1         5.50    (#   2261:20  Single Ambig)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 639, 593,
 igr2=  44,  45,  46,
 &end
#
# 0 AMB  20-2:2262    52 ILE  QD1         5.50    (#   2262:20  Single Ambig)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 639, 593,
 igr2= 783, 784, 785,
 &end
#
# 0 AMB  20-2:2267    72 ILE  QG2         4.50    (#   2267:20  Single Ambig)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1072,1044,
 igr2=1078,1079,1080,
 &end
#
# 0 AMB  20-2:2269    74 THR  MG2         5.50    (#   2269:20  Single Ambig)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1105,1028,
 igr2=1111,1112,1113,
 &end
#
# 0 AMB  20-2:227     42 LEU  HA          2.80    (#    227:20  Single Ambig)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 660, 661, 597, 598,
 &end
#
# 0 AMB  20-2:228     42 LEU  HA          2.80    (#    228:20  Single Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 612, 613, 615,
 &end
#
# 0 AMB  20-2:229     42 LEU  HA          2.80    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 &end
#
# 0 AMB  20-2:2303    73 PRO  HD-         5.50    (#   2303:20  Single Ambig)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 451,1336,
 igr2=1092,1093,
 &end
#
# 0 AMB  20-2:231      8 ASP  HA          4.50    (#    231:20  Single Ambig)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 102, 143,
 &end
#
# 0 AMB  20-2:2364    54 LYS  HA          4.50    (#   2364:20  Single Ambig)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 367, 363,
 &end
#
# 0 AMB  20-2:2418    35 ILE  HB          4.50    (#   2418:20  Single Ambig)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1353,1357, 519,
 &end
#
# 0 AMB  20-2:2428    54 LYS  HB-         5.50    (#   2428:20  Single Ambig)
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 367, 363,
 igr2= 809, 810,
 &end
#
# 0 AMB  20-2:243     43 ASP  HA          4.50    (#    243:20  Single Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 671, 695,
 &end
#
# 0 AMB  20-2:2447    76 LEU  MDX         5.50    (#   2447:20  Single Ambig)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1008,1017, 338, 342,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 0 AMB  20-2:2450   100 VAL  MGX         5.50    (#   2450:20  Single Ambig)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1497,1546,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 0 AMB  20-2:2453    95 ALA  MB          5.50    (#   2453:20  Single Ambig)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1497,1355,
 igr2=1440,1441,1442,
 &end
#
# 0 AMB  20-2:246     43 ASP  HA          4.50    (#    246:20  Single Ambig)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 639, 729,
 &end
#
# 0 AMB  20-2:2461    35 ILE  QD1         5.50    (#   2461:20  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1353,1357, 519,
 igr2= 513, 514, 515,
 &end
#
# 0 AMB  20-2:2474    52 ILE  QG2         5.50    (#   2474:20  Single Ambig)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 289,
 igr2= 776, 777, 778,
 &end
#
# 0 AMB  20-2:2495    35 ILE  QD1         5.50    (#   2495:20  Single Ambig)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 453,1338,1339, 447,
 igr2= 513, 514, 515,
 &end
#
# 0 AMB  20-2:2496    55 ILE  QD1         5.50    (#   2496:20  Single Ambig)
 &rst
  ixpk= 2496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 330, 807, 791, 318,
 igr2= 840, 841, 842,
 &end
#
# 0 AMB  20-2:2505    26 ALA  MB          5.50    (#   2505:20  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 876, 422, 398,
 igr2= 376, 377, 378,
 &end
#
# 0 AMB  20-2:2508    53 VAL  MGY         4.50    (#   2508:20  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 210,  52,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:2510     6 ALA  MB          5.50    (#   2510:20  Single Ambig)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 791, 807,
 igr2=  92,  93,  94,
 &end
#
# 0 AMB  20-2:252     39 LEU  HA          4.50    (#    252:20  Single Ambig)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 566,1450,1451,
 &end
#
# 0 AMB  20-2:2526    19 VAL  HB          4.50    (#   2526:20  Single Ambig)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 257,1194,
 &end
#
# 0 AMB  20-2:2534    52 ILE  HB          5.50    (#   2534:20  Single Ambig)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 772, 791,
 &end
#
# 0 AMB  20-2:2535    35 ILE  HB          5.50    (#   2535:20  Single Ambig)
 &rst
  ixpk= 2535, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 453, 447,
 &end
#
# 0 AMB  20-2:2537    55 ILE  HB          5.50    (#   2537:20  Single Ambig)
 &rst
  ixpk= 2537, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 807, 330,
 &end
#
# 0 AMB  20-2:2539    78 LEU  HB-         5.50    (#   2539:20  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1194,1159,
 igr2=1177,1178,
 &end
#
# 0 AMB  20-2:254     39 LEU  HA          3.50    (#    254:20  Single Ambig)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 563, 564, 549, 550, 551, 553, 554, 555,
 &end
#
# 0 AMB  20-2:2546    72 ILE  QD1         5.50    (#   2546:20  Single Ambig)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 422,1046, 398, 876,
 igr2=1085,1086,1087,
 &end
#
# 0 AMB  20-2:2561    73 PRO  HD-         4.50    (#   2561:20  Single Ambig)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1338,1339, 453,
 igr2=1092,1093,
 &end
#
# 0 AMB  20-2:2562    37 PRO  HD-         4.50    (#   2562:20  Single Ambig)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 539, 502,
 igr2= 530, 531,
 &end
#
# 0 AMB  20-2:2566    31 PRO  HD-         4.50    (#   2566:20  Single Ambig)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 447, 453,
 igr2= 438, 439,
 &end
#
# 0 AMB  20-2:2586    37 PRO  HA          4.50    (#   2586:20  Single Ambig)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531, 521, 580,
 &end
#
# 32 CYS  HB3         29 CYS  HB3         3.80    (#   2588:20  Unique)
 &rst
  ixpk= 2588, nxpk= 20, iat= 456, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 0 AMB  20-2:2601    73 PRO  HB-         5.50    (#   2601:20  Single Ambig)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1092,1093, 456,
 igr2=1098,1099,
 &end
#
# 0 AMB  20-2:2613    31 PRO  HB-         5.50    (#   2613:20  Single Ambig)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439,1345,
 igr2= 444, 445,
 &end
#
# 0 AMB  20-2:2619    35 ILE  QG2         5.50    (#   2619:20  Single Ambig)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 456,1092,1093,
 igr2= 506, 507, 508,
 &end
#
# 0 AMB  20-2:2620    46 MET  ME          6.00    (#   2620:20  Single Ambig)
 &rst
  ixpk= 2620, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 682, 683, 684,
 &end
#
# 0 AMB  20-2:2621    46 MET  ME          5.50    (#   2621:20  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1484,1499,
 igr2= 682, 683, 684,
 &end
#
# 0 AMB  20-2:2624    88 VAL  MGY         4.50    (#   2624:20  Single Ambig)
 &rst
  ixpk= 2624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1299,1345,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 0 AMB  20-2:2629    19 VAL  MGX         5.50    (#   2629:20  Single Ambig)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 250, 251,1499,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 0 AMB  20-2:2633    75 LEU  MDX         4.50    (#   2633:20  Single Ambig)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1345,1109,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 0 AMB  20-2:2646   102 LYS  HD-         4.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1499,
 igr2=1556,1557,
 &end
#
# 0 AMB  20-2:2678    72 ILE  QD1         5.50    (#   2678:20  Single Ambig)
 &rst
  ixpk= 2678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 456,1092,1093,
 igr2=1085,1086,1087,
 &end
#
# 0 AMB  20-2:2682    55 ILE  QG2         4.50    (#   2682:20  Single Ambig)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 905, 906, 320, 321, 116, 117,
 igr2= 833, 834, 835,
 &end
#
# 0 AMB  20-2:2686    57 VAL  MGY         5.50    (#   2686:20  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 332, 333, 878, 879,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 0 AMB  20-2:2687    26 ALA  MB          5.50    (#   2687:20  Single Ambig)
 &rst
  ixpk= 2687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 424, 352, 353,
 igr2= 376, 377, 378,
 &end
#
# 0 AMB  20-2:2691    53 VAL  MGY         5.50    (#   2691:20  Single Ambig)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 761, 762,  79,  80,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:2714     6 ALA  MB          5.50    (#   2714:20  Single Ambig)
 &rst
  ixpk= 2714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 156, 157,  79,  80,
 igr2=  92,  93,  94,
 &end
#
# 0 AMB  20-2:2717    95 ALA  MB          5.50    (#   2717:20  Single Ambig)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1392,1393,1428,1429,
 igr2=1440,1441,1442,
 &end
#
# 0 AMB  20-2:2734    27 PRO  HD-         5.50    (#   2734:20  Single Ambig)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 389, 390, 850, 851,
 igr2= 383, 384,
 &end
#
# 0 AMB  20-2:2739   102 LYS  HA          5.50    (#   2739:20  Single Ambig)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,1572,1573,
 &end
#
# 0 AMB  20-2:2745    32 CYS  HB2         4.50    (#   2745:20  Single Ambig)
 &rst
  ixpk= 2745, nxpk= 20, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 474, 475, 425,
 &end
#
# 0 AMB  20-2:2746    19 VAL  HA          4.50    (#   2746:20  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 20, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1196,1197,1202,1203, 275,
 &end
#
# 0 AMB  20-2:2747    19 VAL  HA          5.50    (#   2747:20  Single Ambig)
 &rst
  ixpk= 2747, nxpk= 20, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1200,1196,1197,
 &end
#
# 0 AMB  20-2:2748    52 ILE  HA          4.50    (#   2748:20  Single Ambig)
 &rst
  ixpk= 2748, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 755, 756, 793,
 &end
#
# 0 AMB  20-2:275     59 GLU  HA          2.80    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 893, 894, 890, 891,
 &end
#
# 0 AMB  20-2:2753   103 HIS  HB-         5.50    (#   2753:20  Single Ambig)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1199,1200,1196,1197,
 igr2=1572,1573,
 &end
#
# 0 AMB  20-2:2756    11 PHE  HB-         5.50    (#   2756:20  Single Ambig)
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  92,  93,  94, 831,
 igr2= 156, 157,
 &end
#
# 0 AMB  20-2:2757    90 PHE  HB-         5.50    (#   2757:20  Single Ambig)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 444, 445,1095,1096,
 igr2=1347,1348,
 &end
#
# 0 AMB  20-2:2759    89 GLY  HA-         5.50    (#   2759:20  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1095,1096, 444, 445,
 igr2=1338,1339,
 &end
#
# 0 AMB  20-2:2760    18 GLY  HA-         5.50    (#   2760:20  Single Ambig)
 &rst
  ixpk= 2760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 711, 712, 237, 238, 752, 753,
 igr2= 250, 251,
 &end
#
# 0 AMB  20-2:2763    81 GLY  HA-         5.50    (#   2763:20  Single Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1177,1178,1180,
 igr2=1228,1229,
 &end
#
# 0 AMB  20-2:2777    31 PRO  HD-         4.50    (#   2777:20  Single Ambig)
 &rst
  ixpk= 2777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 444, 445,1095,1096,
 igr2= 438, 439,
 &end
#
# 0 AMB  20-2:2778    56 ASP  HA          5.50    (#   2778:20  Single Ambig)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 864, 865, 866, 868, 869, 870, 831,
 &end
#
# 0 AMB  20-2:2782    95 ALA  HA          5.50    (#   2782:20  Single Ambig)
 &rst
  ixpk= 2782, nxpk= 20, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,1472,1473,
 &end
#
# 0 AMB  20-2:28      38 VAL  HA          2.80    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 549, 550, 551, 553, 554, 555,1406,1407,
 &end
#
# 0 AMB  20-2:2800    14 GLU  HG-         5.50    (#   2800:20  Single Ambig)
 &rst
  ixpk= 2800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 187, 188, 189, 793,
 igr2= 200, 201,
 &end
#
# 0 AMB  20-2:2802    92 PRO  HB-         5.50    (#   2802:20  Single Ambig)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1440,1441,1442,1367,1368,1453,
 igr2=1392,1393,
 &end
#
# 0 AMB  20-2:2803    92 PRO  HB-         5.50    (#   2803:20  Single Ambig)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 549, 550, 551, 553, 554, 555,1406,1407,
 igr2=1392,1393,
 &end
#
# 0 AMB  20-2:2806    46 MET  HG-         4.50    (#   2806:20  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 733, 734,1450,1451,1504,
 igr2= 678, 679,
 &end
#
# 0 AMB  20-2:2813    41 GLU  HB-         5.50    (#   2813:20  Single Ambig)
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1406,1407, 549, 550, 551, 553, 554, 555,
 igr2= 597, 598,
 &end
#
# 0 AMB  20-2:2820    74 THR  MG2         4.50    (#   2820:20  Single Ambig)
 &rst
  ixpk= 2820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1142,1143, 965, 966, 967,
 igr2=1111,1112,1113,
 &end
#
# 0 AMB  20-2:2834    26 ALA  MB          5.50    (#   2834:20  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 386, 387, 389, 390,
 igr2= 376, 377, 378,
 &end
#
# 0 AMB  20-2:2835    26 ALA  MB          5.50    (#   2835:20  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 386, 387,1076,
 igr2= 376, 377, 378,
 &end
#
# 0 AMB  20-2:2840    53 VAL  MGY         2.80    (#   2840:20  Single Ambig)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 755, 756, 310, 311, 312,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 0 AMB  20-2:2845    91 LYS  HB-         4.50    (#   2845:20  Single Ambig)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,
 igr2=1367,1368,
 &end
#
# 0 AMB  20-2:2853    14 GLU  HG-         4.50    (#   2853:20  Single Ambig)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 200, 201,
 &end
#
# 0 AMB  20-2:2863    38 VAL  HB          4.50    (#   2863:20  Single Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1455,1456,1457,1459,1460,1461, 568, 569, 570, 572,
       573, 574,
 &end
#
# 0 AMB  20-2:2870    73 PRO  HB-         4.50    (#   2870:20  Single Ambig)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1128,1129,1130,1132,1133,1134, 513, 514, 515,
 igr2=1098,1099,
 &end
#
# 0 AMB  20-2:2881    93 LYS  HE-         5.50    (#   2881:20  Single Ambig)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2=1412,1413,
 &end
#
# 0 AMB  20-2:2885    64 ALA  HA          5.50    (#   2885:20  Single Ambig)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 864, 865, 866, 868, 869, 870, 985, 986,
 &end
#
# 0 AMB  20-2:2893    18 GLY  HA-         5.50    (#   2893:20  Single Ambig)
 &rst
  ixpk= 2893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 277, 278, 279, 281, 282, 283, 261, 262, 263, 265,
       266, 267,
 igr2= 250, 251,
 &end
#
# 0 AMB  20-2:2899    89 GLY  HA-         5.50    (#   2899:20  Single Ambig)
 &rst
  ixpk= 2899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1326,1327,1328,1330,1331,1332,1128,1129,1130,1132,
      1133,1134, 513, 514, 515,
 igr2=1338,1339,
 &end
#
# 0 AMB  20-2:2901    78 LEU  HA          4.50    (#   2901:20  Single Ambig)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,1254,1255,1256,1258,
      1259,1260,
 &end
#
# 0 AMB  20-2:2903    52 ILE  HA          5.50    (#   2903:20  Single Ambig)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  20-2:2904    52 ILE  HA          3.50    (#   2904:20  Single Ambig)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
       301, 302, 568, 569, 570, 572, 573, 574,
 &end
#
# 0 AMB  20-2:2905    52 ILE  HA          5.50    (#   2905:20  Single Ambig)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 291, 292, 755, 756,
 &end
#
# 0 AMB  20-2:2908    75 LEU  HA          5.50    (#   2908:20  Single Ambig)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:2909    75 LEU  HA          5.50    (#   2909:20  Single Ambig)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1111,1112,1113,1301,1302,1303,
 &end
#
# 0 AMB  20-2:2910    75 LEU  HA          5.50    (#   2910:20  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 310, 311, 312, 291, 292, 812, 813,1367,1368,
 &end
#
# 0 AMB  20-2:292     64 ALA  HA          4.50    (#    292:20  Single Ambig)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1028, 971,
 &end
#
# 0 AMB  20-2:2923    51 LYS  HA          5.50    (#   2923:20  Single Ambig)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 758, 759,  35,
 &end
#
# 0 AMB  20-2:2935    36 ALA  MB          5.50    (#   2935:20  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 585, 586, 536, 537,
 igr2= 523, 524, 525,
 &end
#
# 0 AMB  20-2:294     64 ALA  HA          4.50    (#    294:20  Single Ambig)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1008,1017, 338, 342, 336, 344,
 &end
#
# 0 AMB  20-2:2941    26 ALA  MB          5.50    (#   2941:20  Single Ambig)
 &rst
  ixpk= 2941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 367, 363,
 igr2= 376, 377, 378,
 &end
#
# 0 AMB  20-2:2944    72 ILE  QD1         5.50    (#   2944:20  Single Ambig)
 &rst
  ixpk= 2944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 330, 318,
 igr2=1085,1086,1087,
 &end
#
# 0 AMB  20-2:2945    46 MET  ME          5.50    (#   2945:20  Single Ambig)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1516, 729,
 igr2= 682, 683, 684,
 &end
#
# 0 AMB  20-2:306     13 ALA  HA          2.80    (#    306:20  Single Ambig)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 183, 193,
 &end
#
# 0 AMB  20-2:323     50 LEU  HA          2.80    (#    323:20  Single Ambig)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 738, 739, 740, 742, 743, 744, 261, 262, 263, 265,
       266, 267,
 &end
#
# 0 AMB  20-2:328     91 LYS  HA          2.80    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1367,1368,1440,1441,1442,
 &end
#
# 0 AMB  20-2:329     91 LYS  HA          2.80    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1370,1371,1367,1368,
 &end
#
# 0 AMB  20-2:33      37 PRO  HA          2.80    (#     33:20  Single Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 536, 537, 585, 586,
 &end
#
# 0 AMB  20-2:34      37 PRO  HA          3.50    (#     34:20  Single Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 585, 586, 600, 601,
 &end
#
# 0 AMB  20-2:350     27 PRO  HD-         3.50    (#    350:20  Single Ambig)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 386, 387, 389, 390,
 igr2= 383, 384,
 &end
#
# 0 AMB  20-2:356     73 PRO  HD-         2.80    (#    356:20  Single Ambig)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 444, 445,1095,1096,
 igr2=1092,1093,
 &end
#
# 0 AMB  20-2:378     92 PRO  HD-         2.80    (#    378:20  Single Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1440,1441,1442,1367,1368,
 igr2=1386,1387,
 &end
#
# 0 AMB  20-2:379     92 PRO  HD-         4.50    (#    379:20  Single Ambig)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1370,1371,1367,1368,
 igr2=1386,1387,
 &end
#
# 0 AMB  20-2:384     47 GLY  HA-         3.50    (#    384:20  Single Ambig)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 695, 671,
 igr2= 690, 691,
 &end
#
# 0 AMB  20-2:395     50 LEU  HB-         4.50    (#    395:20  Single Ambig)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 675, 676, 259,
 igr2= 733, 734,
 &end
#
# 0 AMB  20-2:398     50 LEU  HB-         2.80    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
       743, 744,
 igr2= 733, 734,
 &end
#
# 0 AMB  20-2:406     81 GLY  HA-         3.50    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 224, 226, 227,
 igr2=1228,1229,
 &end
#
# 0 AMB  20-2:415     21 LEU  HB-         2.80    (#    415:20  Single Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 738, 739, 740, 742, 743, 744, 776, 777, 778, 261,
       262, 263, 265, 266, 267,
 igr2= 291, 292,
 &end
#
# 0 AMB  20-2:416     21 LEU  HB-         2.80    (#    416:20  Single Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
      1168,1169, 617, 618, 619, 621, 622, 623,
 igr2= 291, 292,
 &end
#
# 0 AMB  20-2:431     76 LEU  HB-         2.80    (#    431:20  Single Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 310, 311, 312,1254,1255,1256,1258,1259,1260,
 igr2=1142,1143,
 &end
#
# 0 AMB  20-2:432     76 LEU  HB-         3.50    (#    432:20  Single Ambig)
 &rst
  ixpk= 432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
      1259,1260,
 igr2=1142,1143,
 &end
#
# 0 AMB  20-2:433     76 LEU  HB-         2.80    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1182,1183,1184,1186,1187,1188,1145,
 igr2=1142,1143,
 &end
#
# 0 AMB  20-2:44      31 PRO  HA          4.50    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 490, 491, 441, 442,
 &end
#
# 72 ILE  QD1         29 CYS  HB3         4.20    (#    441:20  Unique)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1085,1086,1087,
 &end
#
# 72 ILE  QD1         29 CYS  HB2         4.00    (#    443:20  Unique)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1085,1086,1087,
 &end
#
# 0 AMB  20-2:445     78 LEU  HB-         2.80    (#    445:20  Single Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1182,1183,1184,1186,1187,1188,1182,1183,1184,1186,
      1187,1188,
 igr2=1177,1178,
 &end
#
# 0 AMB  20-2:483     43 ASP  HB-         2.80    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 783, 784, 785,  41,  42,
 igr2= 631, 632,
 &end
#
# 0 AMB  20-2:506      5 LYS  HE-         2.80    (#    506:20  Single Ambig)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=  73,  74, 815, 816, 104, 105, 106,
 igr2=  79,  80,
 &end
#
# 0 AMB  20-2:51      31 PRO  HA          3.50    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 444, 445, 468, 469,
 &end
#
# 0 AMB  20-2:514     51 LYS  HE-         4.50    (#    514:20  Single Ambig)
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 761, 762,
 &end
#
# 0 AMB  20-2:534     96 LEU  HB-         3.50    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2=1450,1451,
 &end
#
# 0 AMB  20-2:535     96 LEU  HB-         2.80    (#    535:20  Single Ambig)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1450,1451,
 &end
#
# 0 AMB  20-2:54      83 VAL  HA          4.50    (#     54:20  Single Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1280,1233,
 &end
#
# 0 AMB  20-2:574     39 LEU  HB-         3.50    (#    574:20  Single Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 566, 774,
 igr2= 563, 564,
 &end
#
# 0 AMB  20-2:575     39 LEU  HB-         2.80    (#    575:20  Single Ambig)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 igr2= 563, 564,
 &end
#
# 0 AMB  20-2:582     23 ASP  HB-         3.50    (#    582:20  Single Ambig)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 807, 318,
 igr2= 320, 321,
 &end
#
# 0 AMB  20-2:59      83 VAL  HA          3.50    (#     59:20  Single Ambig)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1182,1183,1184,1186,1187,1188,1163,1164,1165,1167,
      1168,1169,
 &end
#
# 0 AMB  20-2:6       86 THR  HB          4.50    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
      1259,1260,
 &end
#
# 0 AMB  20-2:627     52 ILE  HB          2.80    (#    627:20  Single Ambig)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 770,  50, 789,
 &end
#
# 0 AMB  20-2:630     52 ILE  HB          2.80    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  41,  42, 776, 777, 778, 783, 784, 785,
 &end
#
# 0 AMB  20-2:634     24 PHE  HB-         4.50    (#    634:20  Single Ambig)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 330, 318,
 igr2= 332, 333,
 &end
#
# 0 AMB  20-2:642     67 TYR  HB-         2.80    (#    642:20  Single Ambig)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1008,1017,1000,
 igr2=1004,1005,
 &end
#
# 0 AMB  20-2:683     91 LYS  HB-         3.50    (#    683:20  Single Ambig)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
      1460,1461,
 igr2=1367,1368,
 &end
#
# 0 AMB  20-2:702     20 VAL  HB          2.80    (#    702:20  Single Ambig)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
      1187,1188,
 &end
#
# 0 AMB  20-2:711     79 LYS  HB-         3.50    (#    711:20  Single Ambig)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1194, 257,
 igr2=1196,1197,
 &end
#
# 0 AMB  20-2:723      4 VAL  HB          2.80    (#    723:20  Single Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  54, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  50, 805,
 &end
#
# 0 AMB  20-2:727      4 VAL  HB          2.80    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  54, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  56,  57,  58,  60,  61,  62,  56,  57,  58,  60,
        61,  62,
 &end
#
# 0 AMB  20-2:728      4 VAL  HB          3.50    (#    728:20  Single Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  54, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  20-2:74      87 SER  HB-         4.50    (#     74:20  Single Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1123,1124,1373,1374,
 igr2=1313,1314,
 &end
#
# 0 AMB  20-2:766     53 VAL  HB          3.50    (#    766:20  Single Ambig)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 791, 772, 807,
 &end
#
# 0 AMB  20-2:767     53 VAL  HB          3.50    (#    767:20  Single Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 310, 311, 312, 755, 756, 831,
 &end
#
# 0 AMB  20-2:768     53 VAL  HB          3.50    (#    768:20  Single Ambig)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
      1187,1188,
 &end
#
# 0 AMB  20-2:769     53 VAL  HB          2.80    (#    769:20  Single Ambig)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 &end
#
# 0 AMB  20-2:778     97 GLN  HG-         3.50    (#    778:20  Single Ambig)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
       622, 623,
 igr2=1472,1473,
 &end
#
# 0 AMB  20-2:780     85 GLU  HG-         2.80    (#    780:20  Single Ambig)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1556,1557,1161,1501,1502,1550,1551,
 igr2=1287,1288,
 &end
#
# 0 AMB  20-2:867     66 LYS  HB-         4.50    (#    867:20  Single Ambig)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1000,1008,1017,
 igr2= 982, 983,
 &end
#
# 0 AMB  20-2:906    102 LYS  HB-         3.50    (#    906:20  Single Ambig)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1548,1499,
 igr2=1550,1551,
 &end
#
# 0 AMB  20-2:949     83 VAL  HB          2.80    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1254,1255,1256,1258,1259,1260,1147,1148,1149,1151,
      1152,1153,
 &end
#
# 0 AMB  20-2:95      32 CYS  HA          3.50    (#     95:20  Single Ambig)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 456,1092,1093,
 &end
#
# 0 AMB  20-2:954     19 VAL  HB          2.80    (#    954:20  Single Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 261, 262, 263, 265, 266, 267,1522,1523,1524,1526,
      1527,1528,
 &end
#
# 0 AMB  20-2:955     19 VAL  HB          2.80    (#    955:20  Single Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 261, 262, 263, 265, 266, 267, 738, 739, 740, 742,
       743, 744, 738, 739, 740, 742, 743, 744,
 &end
#
# 0 AMB  20-2:96      32 CYS  HA          3.50    (#     96:20  Single Ambig)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1095,1096, 444, 445,
 &end
#
# 0 AMB  20-2:99      35 ILE  HA          3.50    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1353,1357, 519,
 &end
#
# 0 AMB  20-2:992     14 GLU  HB-         3.50    (#    992:20  Single Ambig)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
       800, 801,
 igr2= 197, 198,
 &end
#
# 10 SER  HB+          10 SER  HN          3.50    (#    693:10  Unique         2.69, 3.30 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 145, 146,
 &end
#
# 10 SER  HB+          14 GLU  HG+         4.50    (#   2551:20  Unique         2.90, 4.22 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 145, 146,
 igr2= 200, 201,
 &end
#
# 10 SER  HB+          14 GLU  HN          5.50    (#    724:10  Unique         4.14, 4.76 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 145, 146,
 &end
#
# 10 SER  HB+           7 THR  HN          4.50    (#    673:10  Unique         3.07, 4.10 A)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 145, 146,
 &end
#
# 10 SER  HB-          10 SER  HN          2.80    (#    525:10  Unique         2.69, 3.30 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 145, 146,
 &end
#
# 10 SER  HB-          11 PHE  HN          4.50    (#    704:10  Unique         3.34, 3.94 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 145, 146,
 &end
#
# 10 SER  HB-          14 GLU  HG+         5.50    (#   2602:20  Unique         2.90, 4.22 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 145, 146,
 igr2= 200, 201,
 &end
#
# 10 SER  HB-           7 THR  HN          5.50    (#    672:10  Unique         3.07, 4.10 A)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 145, 146,
 &end
#
# 11 PHE  HA           10 SER  HN          5.50    (#    691:10  Unique         4.34, 4.46 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 154, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HB+          10 SER  HN          5.50    (#    697:10  Unique         3.92, 4.14 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB-          10 SER  HN          5.50    (#    696:10  Unique         3.92, 4.14 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 156, 157,
 &end
#
# 11 PHE  HN           10 SER  HN          2.80    (#    522:10  Unique         1.87, 1.96 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 152, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 10 SER  HN            7 THR  HN          3.50    (#    619:10  Unique         2.79, 3.15 A)
 &rst
  ixpk= 619, nxpk= 10, iat= 141,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 10 SER  HN            8 ASP  HN          5.50    (#    682:10  Unique         4.45, 4.53 A)
 &rst
  ixpk= 682, nxpk= 10, iat= 141, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 GLN  HA           10 SER  HN          3.50    (#    692:10  Unique         3.51, 3.54 A)
 &rst
  ixpk= 692, nxpk= 10, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 9 GLN  HB+          10 SER  HN          2.80    (#    521:10  Unique         2.76, 3.36 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 128, 129,
 &end
#
# 9 GLN  HN           10 SER  HN          2.80    (#    523:10  Unique         2.68, 2.75 A)
 &rst
  ixpk= 523, nxpk= 10, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  HA          100 VAL  HB          3.50    (#    896:20  Unique         3.02, 3.04 A)
 &rst
  ixpk= 896, nxpk= 20, iat=1518,1520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 100 VAL  HA          100 VAL  HN          2.80    (#    575:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 575, nxpk= 10, iat=1518,1516, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  HA          100 VAL  MGX         2.80    (#   1399:20  Unique         2.42, 3.16 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 100 VAL  HA          100 VAL  MGY         2.80    (#   1478:20  Unique         2.42, 3.16 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 100 VAL  HA          101 ASN  HN          3.50    (#    972:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 972, nxpk= 10, iat=1518,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 100 VAL  HA          102 LYS  HN          5.50    (#   1251:10  Unique         3.69, 4.13 A)
 &rst
  ixpk= 1251, nxpk= 10, iat=1518,1546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 HIS  HB+         100 VAL  HA          5.50    (#   2077:20  Unique         2.97, 4.68 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1572,1573,
 &end
#
# 103 HIS  HD2         100 VAL  HA          4.50    (#     38:20  Unique         2.47, 3.77 A)
 &rst
  ixpk= 38, nxpk= 20, iat=1581,1518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 100 VAL  HA          103 HIS  HN          5.50    (#   1261:10  Unique         3.58, 3.85 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=1518,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 VAL  HA           46 MET  ME          5.50    (#   1785:20  Unique         5.18, 7.68 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 682, 683, 684,
 &end
#
# 100 VAL  HA           77 VAL  MGY         4.50    (#   1517:20  Unique         3.51, 4.93 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 100 VAL  HA           99 LEU  HN          5.50    (#   1242:10  Unique         5.17, 5.22 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=1518,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 VAL  HB          100 VAL  HN          2.80    (#    576:10  Unique         2.33, 2.54 A)
 &rst
  ixpk= 576, nxpk= 10, iat=1520,1516, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  MGX         100 VAL  HB          2.80    (#    895:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1522,1523,1524,1526,1527,1528,
 &end
#
# 97 GLN  HA          100 VAL  HB          4.50    (#    897:20  Unique         2.39, 2.82 A)
 &rst
  ixpk= 897, nxpk= 20, iat=1467,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 100 VAL  MGY         100 VAL  HN          2.80    (#    579:10  Unique         2.10, 3.76 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1522,1523,1524,1526,1527,1528,
 &end
#
# 101 ASN  HN          100 VAL  HN          2.80    (#    572:10  Unique         2.59, 2.75 A)
 &rst
  ixpk= 572, nxpk= 10, iat=1532,1516, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  HN          102 LYS  HN          5.50    (#   1249:10  Unique         4.11, 4.28 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=1516,1546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 97 GLN  HA          100 VAL  HN          3.50    (#   1245:10  Unique         3.05, 3.34 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=1467,1516, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 97 GLN  HN          100 VAL  HN          5.50    (#    573:10  Unique         4.68, 4.78 A)
 &rst
  ixpk= 573, nxpk= 10, iat=1465,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 VAL  HN           99 LEU  HA          4.50    (#   2361:20  Unique         3.50, 3.65 A)
 &rst
  ixpk= 2361, nxpk= 20, iat=1516,1499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  HB+         100 VAL  HN          2.80    (#    578:10  Unique         2.46, 3.45 A)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1501,1502,
 &end
#
# 99 LEU  HB-         100 VAL  HN          3.50    (#    577:10  Unique         2.46, 3.45 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1501,1502,
 &end
#
# 99 LEU  HG          100 VAL  HN          4.50    (#   1248:10  Unique         2.43, 2.94 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 100 VAL  HN           99 LEU  HN          2.80    (#    385:10  Unique         2.56, 2.65 A)
 &rst
  ixpk= 385, nxpk= 10, iat=1516,1497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 101 ASN  HA          100 VAL  MGX         5.50    (#   1398:20  Unique         3.16, 5.70 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 101 ASN  HN          100 VAL  MGX         4.50    (#   1397:20  Unique         3.30, 4.63 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 100 VAL  MGX         102 LYS  HN          5.50    (#   1254:10  Unique         5.24, 6.34 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1522,1523,1524,1526,1527,1528,
 &end
#
# 104 LEU  HG          100 VAL  MGX         3.50    (#   1401:20  Unique         2.16, 4.59 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 97 GLN  HA          100 VAL  MGX         5.50    (#   2631:20  Unique         2.91, 4.53 A)
 &rst
  ixpk= 2631, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 101 ASN  HA          100 VAL  MGY         5.50    (#   2627:20  Unique         3.16, 5.70 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 100 VAL  MGY         101 ASN  HN          3.50    (#    353:10  Unique         3.30, 4.63 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1522,1523,1524,1526,1527,1528,
 &end
#
# 104 LEU  HG          100 VAL  MGY         3.50    (#   1481:20  Unique         2.16, 4.59 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 100 VAL  MGY          42 LEU  MDY         3.50    (#   1259:20  Unique         2.28, 5.15 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1522,1523,1524,1526,1527,1528,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 97 GLN  HA          100 VAL  MGY         2.80    (#   1479:20  Unique         2.91, 4.53 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1522,1523,1524,1526,1527,1528,
 &end
#
# 100 VAL  MGY          99 LEU  HN          4.50    (#   1234:10  Unique         4.36, 6.19 A)
 &rst
  ixpk= 1234, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1522,1523,1524,1526,1527,1528,
 &end
#
# 101 ASN  HA          101 ASN  HB+         2.80    (#    660:20  Unique         2.26, 2.81 A)
 &rst
  ixpk= 660, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1536,1537,
 &end
#
# 101 ASN  HA          101 ASN  HB-         3.50    (#    653:20  Unique         2.26, 2.81 A)
 &rst
  ixpk= 653, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1536,1537,
 &end
#
# 101 ASN  HA          101 ASN  HD2+        5.50    (#   1277:10  Unique         3.33, 3.93 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1541,1542,
 &end
#
# 101 ASN  HA          101 ASN  HD2-        5.50    (#   1281:10  Unique         3.33, 3.93 A)
 &rst
  ixpk= 1281, nxpk= 10, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1541,1542,
 &end
#
# 101 ASN  HA          101 ASN  HN          2.80    (#    348:10  Unique         2.78, 2.83 A)
 &rst
  ixpk= 348, nxpk= 10, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 101 ASN  HA          102 LYS  HN          4.50    (#   1252:10  Unique         3.37, 3.53 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=1534,1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 ASN  HA          103 HIS  HN          4.50    (#   1264:10  Unique         3.37, 3.62 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=1534,1568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 LEU  HB+         101 ASN  HA          3.50    (#    290:20  Unique         2.08, 3.44 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1589,1590,
 &end
#
# 101 ASN  HA          104 LEU  HB-         4.50    (#   2538:20  Unique         2.08, 3.44 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1589,1590,
 &end
#
# 104 LEU  HG          101 ASN  HA          3.50    (#    289:20  Unique         2.18, 2.84 A)
 &rst
  ixpk= 289, nxpk= 20, iat=1592,1534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 101 ASN  HA          104 LEU  HN          3.50    (#   1266:10  Unique         2.69, 3.02 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=1534,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 104 LEU  MDY         101 ASN  HA          2.80    (#    291:20  Unique         2.23, 4.36 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1594,1595,1596,1598,1599,1600,
 &end
#
# 101 ASN  HA           46 MET  ME          4.50    (#   1753:20  Unique         3.95, 6.00 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 682, 683, 684,
 &end
#
# 101 ASN  HB+         101 ASN  HD2+        3.50    (#   1272:10  Unique         2.15, 3.36 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1536,1537,
 igr2=1541,1542,
 &end
#
# 101 ASN  HB+         101 ASN  HD2-        4.50    (#   1283:10  Unique         2.15, 3.36 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1536,1537,
 igr2=1541,1542,
 &end
#
# 101 ASN  HB+         101 ASN  HN          2.80    (#    351:10  Unique         2.14, 2.93 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1536,1537,
 &end
#
# 101 ASN  HB+         102 LYS  HN          3.50    (#   1253:10  Unique         2.67, 3.55 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1536,1537,
 &end
#
# 101 ASN  HB+          98 GLU  HA          3.50    (#   2153:20  Unique         2.20, 3.13 A)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1536,1537,
 &end
#
# 101 ASN  HB-         101 ASN  HD2+        2.80    (#    616:10  Unique         2.15, 3.36 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1536,1537,
 igr2=1541,1542,
 &end
#
# 101 ASN  HB-         101 ASN  HD2-        3.50    (#   1282:10  Unique         2.15, 3.36 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1536,1537,
 igr2=1541,1542,
 &end
#
# 101 ASN  HB-         101 ASN  HN          2.80    (#    350:10  Unique         2.14, 2.93 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1536,1537,
 &end
#
# 101 ASN  HB-          46 MET  ME          3.50    (#   1764:20  Unique         2.90, 6.08 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1536,1537,
 igr2= 682, 683, 684,
 &end
#
# 98 GLU  HA          101 ASN  HB-         3.50    (#    657:20  Unique         2.20, 3.13 A)
 &rst
  ixpk= 657, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1536,1537,
 &end
#
# 101 ASN  HN          101 ASN  HD2+        5.50    (#   1278:10  Unique         2.40, 3.57 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1541,1542,
 &end
#
# 101 ASN  HD2+         46 MET  ME          4.50    (#   1750:20  Unique         2.12, 3.60 A)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1541,1542,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HG+         101 ASN  HD2+        5.50    (#   1275:10  Unique         2.68, 5.71 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1472,1473,
 igr2=1541,1542,
 &end
#
# 98 GLU  HA          101 ASN  HD2+        4.50    (#   1273:10  Unique         2.22, 3.89 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1541,1542,
 &end
#
# 101 ASN  HN          101 ASN  HD2-        5.50    (#   1279:10  Unique         2.40, 3.57 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1541,1542,
 &end
#
# 101 ASN  HD2-         46 MET  ME          5.50    (#   1751:20  Unique         2.12, 3.60 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1541,1542,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HG+         101 ASN  HD2-        5.50    (#   1284:10  Unique         2.68, 5.71 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1472,1473,
 igr2=1541,1542,
 &end
#
# 101 ASN  HD2-         97 GLN  HG-         5.50    (#   2410:20  Unique         2.68, 5.71 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1541,1542,
 igr2=1472,1473,
 &end
#
# 98 GLU  HA          101 ASN  HD2-        5.50    (#   1280:10  Unique         2.22, 3.89 A)
 &rst
  ixpk= 1280, nxpk= 10, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1541,1542,
 &end
#
# 101 ASN  HN          102 LYS  HN          2.80    (#    451:10  Unique         2.73, 2.83 A)
 &rst
  ixpk= 451, nxpk= 10, iat=1532,1546, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 103 HIS  HN          101 ASN  HN          5.50    (#    979:10  Unique         4.18, 4.31 A)
 &rst
  ixpk= 979, nxpk= 10, iat=1568,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 ASN  HN           46 MET  ME          5.50    (#   2946:20  Unique         3.52, 5.53 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HA          101 ASN  HN          5.50    (#    971:10  Unique         3.69, 3.99 A)
 &rst
  ixpk= 971, nxpk= 10, iat=1467,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 ASN  HN           98 GLU  HA          4.50    (#   2151:20  Unique         3.11, 3.33 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=1532,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 ASN  HN           98 GLU  HN          5.50    (#    908:10  Unique         4.53, 4.65 A)
 &rst
  ixpk= 908, nxpk= 10, iat=1532,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 ASN  HN           99 LEU  HN          5.50    (#    387:10  Unique         3.89, 3.98 A)
 &rst
  ixpk= 387, nxpk= 10, iat=1532,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 LYS  HA          104 LEU  HN          5.50    (#   1268:10  Unique         4.06, 4.62 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=1548,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 LYS  HE-         102 LYS  HB+         5.50    (#   2705:20  Unique         2.08, 3.99 A)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1559,1560,
 igr2=1550,1551,
 &end
#
# 102 LYS  HG-         102 LYS  HB+         2.80    (#    912:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1553,1554,
 igr2=1550,1551,
 &end
#
# 102 LYS  HB+         102 LYS  HN          2.80    (#    456:10  Unique         2.41, 3.11 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1550,1551,
 &end
#
# 103 HIS  HD2         102 LYS  HB+         5.50    (#   2296:20  Unique         2.46, 4.44 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1550,1551,
 &end
#
# 102 LYS  HB+         103 HIS  HN          5.50    (#   1257:10  Unique         2.75, 4.02 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1550,1551,
 &end
#
# 102 LYS  HG-         102 LYS  HB-         2.80    (#    908:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1553,1554,
 igr2=1550,1551,
 &end
#
# 102 LYS  HN          102 LYS  HB-         2.80    (#    905:20  Unique         2.41, 3.11 A)
 &rst
  ixpk= 905, nxpk= 20, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1550,1551,
 &end
#
# 103 HIS  HN          102 LYS  HB-         5.50    (#   2295:20  Unique         2.75, 4.02 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=1568,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1550,1551,
 &end
#
# 102 LYS  HN          102 LYS  HG+         3.50    (#   2449:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1553,1554,
 &end
#
# 99 LEU  MDY         102 LYS  HG+         3.50    (#   1346:20  Unique         2.98, 5.87 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1506,1507,1508,1510,1511,1512,
 igr2=1553,1554,
 &end
#
# 102 LYS  HG-         102 LYS  HN          2.80    (#    457:10  Unique         2.16, 2.99 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1553,1554,
 &end
#
# 102 LYS  HG-         103 HIS  HN          5.50    (#   1258:10  Unique         3.03, 4.18 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1553,1554,
 &end
#
# 103 HIS  HD2         102 LYS  HN          4.50    (#   1250:10  Unique         3.85, 4.36 A)
 &rst
  ixpk= 1250, nxpk= 10, iat=1581,1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 102 LYS  HN          103 HIS  HN          2.80    (#    488:10  Unique         2.56, 2.72 A)
 &rst
  ixpk= 488, nxpk= 10, iat=1546,1568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  HN          102 LYS  HN          4.50    (#    453:10  Unique         4.00, 4.20 A)
 &rst
  ixpk= 453, nxpk= 10, iat=1585,1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 HIS  HA          103 HIS  HB+         4.50    (#    938:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 938, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1572,1573,
 &end
#
# 103 HIS  HA          103 HIS  HB-         3.50    (#    936:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 936, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1572,1573,
 &end
#
# 103 HIS  HA          103 HIS  HN          3.50    (#   1265:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=1570,1568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 HIS  HA          104 LEU  HN          3.50    (#   1267:10  Unique         3.32, 3.44 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=1570,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 HIS  HD2         103 HIS  HB+         4.50    (#   2333:20  Unique         2.53, 3.16 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1572,1573,
 &end
#
# 103 HIS  HB+         103 HIS  HN          2.80    (#    491:10  Unique         2.40, 3.19 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1572,1573,
 &end
#
# 103 HIS  HB+         104 LEU  HN          3.50    (#   1270:10  Unique         2.90, 3.83 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1572,1573,
 &end
#
# 19 VAL  MGX         103 HIS  HB+         5.50    (#   2867:20  Unique         2.43, 4.50 A)
 &rst
  ixpk= 2867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1572,1573,
 &end
#
# 103 HIS  HB+          19 VAL  MGY         4.50    (#   1591:20  Unique         2.43, 4.50 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1572,1573,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 77 VAL  MGX         103 HIS  HB+         5.50    (#   2869:20  Unique         2.60, 5.43 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,1165,1167,1168,1169,
 igr2=1572,1573,
 &end
#
# 103 HIS  HB+          79 LYS  HD+         5.50    (#   2708:20  Unique         2.11, 3.79 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1572,1573,
 igr2=1202,1203,
 &end
#
# 103 HIS  HB+          84 VAL  MGX         5.50    (#   2684:20  Unique         2.59, 4.88 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1572,1573,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 103 HIS  HD2         103 HIS  HB-         5.50    (#   2336:20  Unique         2.53, 3.16 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1572,1573,
 &end
#
# 103 HIS  HB-         103 HIS  HN          3.50    (#   1260:10  Unique         2.40, 3.19 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1572,1573,
 &end
#
# 103 HIS  HB-         104 LEU  HN          4.50    (#   1269:10  Unique         2.90, 3.83 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1572,1573,
 &end
#
# 19 VAL  MGX         103 HIS  HB-         5.50    (#   2866:20  Unique         2.43, 4.50 A)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1572,1573,
 &end
#
# 19 VAL  MGY         103 HIS  HB-         5.50    (#   2865:20  Unique         2.43, 4.50 A)
 &rst
  ixpk= 2865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1572,1573,
 &end
#
# 77 VAL  MGX         103 HIS  HB-         5.50    (#   2864:20  Unique         2.60, 5.43 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,1165,1167,1168,1169,
 igr2=1572,1573,
 &end
#
# 79 LYS  HD+         103 HIS  HB-         4.50    (#   2752:20  Unique         2.11, 3.79 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1202,1203,
 igr2=1572,1573,
 &end
#
# 103 HIS  HB-          84 VAL  MGX         5.50    (#   2676:20  Unique         2.59, 4.88 A)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1572,1573,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 103 HIS  HD2         103 HIS  HN          3.50    (#    489:10  Unique         3.24, 3.47 A)
 &rst
  ixpk= 489, nxpk= 10, iat=1581,1568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 HIS  HD2          77 VAL  MGX         4.50    (#   1563:20  Unique         2.34, 4.34 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 103 HIS  HD2          77 VAL  MGY         5.50    (#   2268:20  Unique         2.34, 4.34 A)
 &rst
  ixpk= 2268, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 103 HIS  HD2          84 VAL  MGX         5.50    (#   2253:20  Unique         2.98, 5.46 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 103 HIS  HD2          85 GLU  HG+         5.50    (#   2323:20  Unique         2.42, 3.93 A)
 &rst
  ixpk= 2323, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1287,1288,
 &end
#
# 103 HIS  HD2          85 GLU  HG-         5.50    (#   2324:20  Unique         2.42, 3.93 A)
 &rst
  ixpk= 2324, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1287,1288,
 &end
#
# 104 LEU  HA          103 HIS  HN          5.50    (#   1263:10  Unique         4.61, 4.70 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=1587,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 LEU  HN          103 HIS  HN          2.80    (#    490:10  Unique         2.00, 2.08 A)
 &rst
  ixpk= 490, nxpk= 10, iat=1585,1568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  HA          104 LEU  HB+         3.50    (#    453:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 453, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1589,1590,
 &end
#
# 104 LEU  HA          104 LEU  HB-         3.50    (#    458:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 458, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1589,1590,
 &end
#
# 104 LEU  HA          104 LEU  HG          5.50    (#   2638:20  Unique         2.61, 3.05 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=1587,1592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 LEU  HA          104 LEU  HN          2.80    (#    100:10  Unique         2.81, 2.85 A)
 &rst
  ixpk= 100, nxpk= 10, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  HA          104 LEU  MDY         2.80    (#   1349:20  Unique         2.09, 3.80 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1594,1595,1596,1598,1599,1600,
 &end
#
# 104 LEU  HA           19 VAL  MGX         3.50    (#   1406:20  Unique         2.24, 4.37 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 104 LEU  HG          104 LEU  HB+         2.80    (#    454:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 454, nxpk= 20, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1589,1590,
 &end
#
# 104 LEU  HB+         104 LEU  HN          2.80    (#    102:10  Unique         2.24, 3.01 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1589,1590,
 &end
#
# 104 LEU  MDY         104 LEU  HB+         2.80    (#    456:20  Unique         2.33, 3.33 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1594,1595,1596,1598,1599,1600,
 igr2=1589,1590,
 &end
#
# 104 LEU  HN          104 LEU  HB-         3.50    (#    457:20  Unique         2.24, 3.01 A)
 &rst
  ixpk= 457, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1589,1590,
 &end
#
# 104 LEU  HB-         104 LEU  MDY         2.80    (#   1352:20  Unique         2.33, 3.33 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1589,1590,
 igr2=1594,1595,1596,1598,1599,1600,
 &end
#
# 104 LEU  HG          104 LEU  HN          2.80    (#    101:10  Unique         2.27, 2.58 A)
 &rst
  ixpk= 101, nxpk= 10, iat=1592,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  MDY         104 LEU  HN          3.50    (#    103:10  Unique         3.33, 4.53 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1594,1595,1596,1598,1599,1600,
 &end
#
# 104 LEU  MDY          19 VAL  HN          4.50    (#    760:10  Unique         4.02, 6.91 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1594,1595,1596,1598,1599,1600,
 &end
#
# 104 LEU  MDY          46 MET  ME          2.80    (#   1759:20  Unique         2.60, 6.46 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1594,1595,1596,1598,1599,1600,
 igr2= 682, 683, 684,
 &end
#
# 104 LEU  MDY          49 LYS  HB+         3.50    (#    789:20  Unique         2.21, 4.32 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1594,1595,1596,1598,1599,1600,
 igr2= 711, 712,
 &end
#
# 104 LEU  MDY          49 LYS  HE+         4.50    (#    521:20  Unique         3.36, 6.69 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1594,1595,1596,1598,1599,1600,
 igr2= 720, 721,
 &end
#
# 49 LYS  HG+         104 LEU  MDY         4.50    (#   1354:20  Unique         2.29, 4.78 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 714, 715,
 igr2=1594,1595,1596,1598,1599,1600,
 &end
#
# 11 PHE  HA           11 PHE  HB+         3.50    (#    631:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 156, 157,
 &end
#
# 11 PHE  HA           11 PHE  HB-         3.50    (#    625:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 156, 157,
 &end
#
# 11 PHE  HD           11 PHE  HA          3.50    (#     68:20  Unique         2.79, 3.57 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 160, 168,
 &end
#
# 11 PHE  HA           11 PHE  HN          2.80    (#    139:10  Unique         2.70, 2.74 A)
 &rst
  ixpk= 139, nxpk= 10, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 11 PHE  HA           12 SER  HN          4.50    (#    711:10  Unique         3.60, 3.62 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 154, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14 GLU  HB+          11 PHE  HA          3.50    (#   2098:20  Unique         2.53, 3.51 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 197, 198,
 &end
#
# 11 PHE  HA           14 GLU  HB-         5.50    (#   2649:20  Unique         2.53, 3.51 A)
 &rst
  ixpk= 2649, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 197, 198,
 &end
#
# 11 PHE  HA           14 GLU  HN          4.50    (#    721:10  Unique         3.43, 3.53 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 154, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 PHE  HA            6 ALA  MB          3.50    (#   1366:20  Unique         2.35, 3.15 A)
 &rst
  ixpk= 1366, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
# 11 PHE  HA            7 THR  HN          5.50    (#    671:10  Unique         4.02, 4.30 A)
 &rst
  ixpk= 671, nxpk= 10, iat= 154,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HD           11 PHE  HB+         3.50    (#    623:20  Unique         2.42, 3.08 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 160, 168,
 igr2= 156, 157,
 &end
#
# 11 PHE  HB+          11 PHE  HN          2.80    (#    142:10  Unique         2.29, 2.44 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB+          12 SER  HN          3.50    (#    709:10  Unique         2.45, 3.24 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB+          55 ILE  QD1         4.50    (#   2681:20  Unique         2.49, 3.87 A)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 840, 841, 842,
 &end
#
# 11 PHE  HB+           6 ALA  MB          5.50    (#   1367:20  Unique         2.83, 4.59 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157,
 igr2=  92,  93,  94,
 &end
#
# 11 PHE  HB+          63 THR  MG2         4.50    (#   2690:20  Unique         3.25, 4.21 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 953, 954, 955,
 &end
#
# 11 PHE  HB+           8 ASP  HA          5.50    (#   2166:20  Unique         2.53, 3.02 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 156, 157,
 &end
#
# 11 PHE  HD           11 PHE  HB-         3.50    (#    626:20  Unique         2.42, 3.08 A)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 160, 168,
 igr2= 156, 157,
 &end
#
# 11 PHE  HB-          11 PHE  HN          2.80    (#    140:10  Unique         2.29, 2.44 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB-          12 SER  HA          5.50    (#   2741:20  Unique         4.20, 5.00 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB-          12 SER  HN          3.50    (#    486:10  Unique         2.45, 3.24 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 156, 157,
 &end
#
# 55 ILE  QD1          11 PHE  HB-         5.50    (#   2874:20  Unique         2.49, 3.87 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 840, 841, 842,
 igr2= 156, 157,
 &end
#
# 11 PHE  HB-          63 THR  MG2         5.50    (#   2689:20  Unique         3.25, 4.21 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157,
 igr2= 953, 954, 955,
 &end
#
# 11 PHE  HB-           8 ASP  HA          5.50    (#   2167:20  Unique         2.53, 3.02 A)
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 156, 157,
 &end
#
# 11 PHE  HD           11 PHE  HN          4.50    (#    701:10  Unique         4.34, 4.66 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 160, 168,
 &end
#
# 11 PHE  HD           12 SER  HA          4.50    (#    108:20  Unique         3.10, 4.89 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 160, 168,
 &end
#
# 11 PHE  HD           12 SER  HN          3.50    (#    713:10  Unique         3.11, 4.52 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 160, 168,
 &end
#
# 11 PHE  HD           15 THR  MG2         4.50    (#   1681:20  Unique         3.66, 4.76 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 160, 168,
 igr2= 214, 215, 216,
 &end
#
# 11 PHE  HD           53 VAL  MGX         4.50    (#   1445:20  Unique         2.57, 5.99 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 160, 168,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 11 PHE  HD           55 ILE  HB          5.50    (#   2425:20  Unique         2.93, 5.04 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 160, 168,
 &end
#
# 11 PHE  HD           55 ILE  QD1         3.50    (#   1851:20  Unique         2.34, 4.35 A)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 160, 168,
 igr2= 840, 841, 842,
 &end
#
# 11 PHE  HD           55 ILE  QG2         4.50    (#   1827:20  Unique         2.94, 5.66 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 160, 168,
 igr2= 833, 834, 835,
 &end
#
# 11 PHE  HD            6 ALA  MB          3.50    (#   1371:20  Unique         2.36, 5.02 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 160, 168,
 igr2=  92,  93,  94,
 &end
#
# 11 PHE  HD           63 THR  MG2         3.50    (#   1566:20  Unique         3.16, 4.33 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 160, 168,
 igr2= 953, 954, 955,
 &end
#
# 11 PHE  HN           12 SER  HN          3.50    (#    714:10  Unique         2.94, 3.04 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 11 PHE  HN           14 GLU  HN          5.50    (#    726:10  Unique         4.79, 4.88 A)
 &rst
  ixpk= 726, nxpk= 10, iat= 152, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE  QD1          11 PHE  HN          5.50    (#    706:10  Unique         4.40, 5.29 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 840, 841, 842,
 &end
#
# 6 ALA  MB           11 PHE  HN          4.50    (#    705:10  Unique         3.07, 4.39 A)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
# 63 THR  MG2          11 PHE  HN          5.50    (#    707:10  Unique         5.26, 6.18 A)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 955,
 &end
#
# 7 THR  HN           11 PHE  HN          3.50    (#    138:10  Unique         3.20, 3.43 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  98, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 8 ASP  HA           11 PHE  HN          4.50    (#    702:10  Unique         3.29, 3.47 A)
 &rst
  ixpk= 702, nxpk= 10, iat= 114, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 PHE  HN            8 ASP  HN          5.50    (#    684:10  Unique         4.68, 4.78 A)
 &rst
  ixpk= 684, nxpk= 10, iat= 152, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HN            9 GLN  HN          5.50    (#    685:10  Unique         3.97, 4.04 A)
 &rst
  ixpk= 685, nxpk= 10, iat= 152, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 SER  HA           12 SER  HN          2.80    (#    485:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 12 SER  HA           13 ALA  HN          3.50    (#    136:10  Unique         3.47, 3.55 A)
 &rst
  ixpk= 136, nxpk= 10, iat= 174, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 12 SER  HA           14 GLU  HN          4.50    (#    722:10  Unique         4.47, 4.52 A)
 &rst
  ixpk= 722, nxpk= 10, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12 SER  HA           15 THR  HN          3.50    (#    727:10  Unique         3.46, 3.51 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 174, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 12 SER  HA           15 THR  MG2         4.50    (#   1676:20  Unique         4.03, 4.88 A)
 &rst
  ixpk= 1676, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
# 12 SER  HN           13 ALA  HN          2.80    (#    133:10  Unique         2.72, 2.81 A)
 &rst
  ixpk= 133, nxpk= 10, iat= 172, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 12 SER  HN           14 GLU  HN          5.50    (#    511:10  Unique         4.16, 4.29 A)
 &rst
  ixpk= 511, nxpk= 10, iat= 172, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 ALA  HA           13 ALA  HN          2.80    (#    135:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 135, nxpk= 10, iat= 185, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 13 ALA  HA           13 ALA  MB          2.80    (#   1711:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 187, 188, 189,
 &end
#
# 13 ALA  HA           14 GLU  HN          3.50    (#    723:10  Unique         3.57, 3.57 A)
 &rst
  ixpk= 723, nxpk= 10, iat= 185, 193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16 SER  HN           13 ALA  HA          5.50    (#   2367:20  Unique         3.63, 3.72 A)
 &rst
  ixpk= 2367, nxpk= 20, iat= 222, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 ALA  MB           13 ALA  HN          2.80    (#    137:10  Unique         2.49, 2.93 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 187, 188, 189,
 &end
#
# 15 THR  HN           13 ALA  HN          5.50    (#    134:10  Unique         3.80, 4.05 A)
 &rst
  ixpk= 134, nxpk= 10, iat= 208, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 ALA  MB           14 GLU  HN          2.80    (#    518:10  Unique         2.57, 3.41 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 187, 188, 189,
 &end
#
# 14 GLU  HA           14 GLU  HB+         4.50    (#    994:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 994, nxpk= 20, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 197, 198,
 &end
#
# 14 GLU  HB-          14 GLU  HA          2.80    (#    260:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 197, 198,
 &end
#
# 14 GLU  HA           14 GLU  HG-         4.50    (#   2656:20  Unique         2.99, 3.38 A)
 &rst
  ixpk= 2656, nxpk= 20, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 200, 201,
 &end
#
# 14 GLU  HA           14 GLU  HN          2.80    (#    513:10  Unique         2.84, 2.84 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 195, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  HN           14 GLU  HA          5.50    (#   2365:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 2365, nxpk= 20, iat= 208, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLU  HG+          14 GLU  HB+         3.50    (#    995:20  Unique         2.42, 2.60 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 200, 201,
 igr2= 197, 198,
 &end
#
# 14 GLU  HB+          14 GLU  HG-         2.80    (#    760:20  Unique         2.42, 2.60 A)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 197, 198,
 igr2= 200, 201,
 &end
#
# 14 GLU  HB+          14 GLU  HN          2.80    (#    517:10  Unique         2.37, 3.01 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 197, 198,
 &end
#
# 14 GLU  HB+          15 THR  HN          4.50    (#    729:10  Unique         2.61, 3.22 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 197, 198,
 &end
#
# 14 GLU  HB+          15 THR  MG2         4.50    (#   1677:20  Unique         3.22, 4.62 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 197, 198,
 igr2= 214, 215, 216,
 &end
#
# 14 GLU  HG+          14 GLU  HB-         3.50    (#    991:20  Unique         2.42, 2.60 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 200, 201,
 igr2= 197, 198,
 &end
#
# 14 GLU  HB-          14 GLU  HG-         2.80    (#    759:20  Unique         2.42, 2.60 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 197, 198,
 igr2= 200, 201,
 &end
#
# 14 GLU  HB-          14 GLU  HN          2.80    (#    516:10  Unique         2.37, 3.01 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 197, 198,
 &end
#
# 14 GLU  HB-          15 THR  HN          4.50    (#    730:10  Unique         2.61, 3.22 A)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 197, 198,
 &end
#
# 15 THR  MG2          14 GLU  HB-         5.50    (#   2849:20  Unique         3.22, 4.62 A)
 &rst
  ixpk= 2849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 214, 215, 216,
 igr2= 197, 198,
 &end
#
# 14 GLU  HG+          14 GLU  HN          2.80    (#    514:10  Unique         2.37, 3.18 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 200, 201,
 &end
#
# 4 VAL  MGX          14 GLU  HG+         5.50    (#   2862:20  Unique         2.56, 5.33 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  56,  57,  58,  60,  61,  62,
 igr2= 200, 201,
 &end
#
# 14 GLU  HG+          53 VAL  MGY         5.50    (#   2692:20  Unique         3.41, 5.09 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 200, 201,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 14 GLU  HG+           6 ALA  MB          4.50    (#   2715:20  Unique         2.45, 3.93 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 200, 201,
 igr2=  92,  93,  94,
 &end
#
# 14 GLU  HG-          14 GLU  HN          3.50    (#    515:10  Unique         2.37, 3.18 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 200, 201,
 &end
#
# 4 VAL  MGX          14 GLU  HG-         2.80    (#    763:20  Unique         2.56, 5.33 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  56,  57,  58,  60,  61,  62,
 igr2= 200, 201,
 &end
#
# 14 GLU  HG-           6 ALA  MB          3.50    (#   1373:20  Unique         2.45, 3.93 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 200, 201,
 igr2=  92,  93,  94,
 &end
#
# 15 THR  HN           14 GLU  HN          2.80    (#    512:10  Unique         2.70, 2.75 A)
 &rst
  ixpk= 512, nxpk= 10, iat= 208, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  MG2          14 GLU  HN          5.50    (#    717:10  Unique         4.46, 5.64 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 214, 215, 216,
 &end
#
# 16 SER  HN           14 GLU  HN          5.50    (#    725:10  Unique         4.07, 4.15 A)
 &rst
  ixpk= 725, nxpk= 10, iat= 222, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 ALA  MB           14 GLU  HN          5.50    (#    719:10  Unique         5.04, 5.64 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
# 15 THR  HB           15 THR  HA          2.80    (#    121:20  Unique         2.50, 2.52 A)
 &rst
  ixpk= 121, nxpk= 20, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  HA           15 THR  HN          2.80    (#    635:10  Unique         2.84, 2.86 A)
 &rst
  ixpk= 635, nxpk= 10, iat= 210, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  HA           15 THR  MG2         2.80    (#   1684:20  Unique         2.42, 2.99 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 214, 215, 216,
 &end
#
# 15 THR  HA           16 SER  HA          4.50    (#    125:20  Unique         4.55, 4.60 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 THR  HA           16 SER  HN          3.50    (#    495:10  Unique         3.24, 3.31 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 210, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 GLU  HN           15 THR  HA          5.50    (#   2125:20  Unique         3.33, 3.43 A)
 &rst
  ixpk= 2125, nxpk= 20, iat= 233, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 THR  HA           20 VAL  MGX         2.80    (#   1438:20  Unique         2.10, 3.11 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGY          15 THR  HA          2.80    (#    141:20  Unique         2.10, 3.11 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 15 THR  HB           15 THR  HN          3.50    (#    728:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 212, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 15 THR  HB           15 THR  MG2         2.80    (#   1685:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1685, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 214, 215, 216,
 &end
#
# 15 THR  HB           20 VAL  MGX         4.50    (#   1439:20  Unique         3.97, 4.82 A)
 &rst
  ixpk= 1439, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 15 THR  HB           20 VAL  MGY         4.50    (#   1528:20  Unique         3.97, 4.82 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 78 LEU  MDY          15 THR  HB          2.80    (#     13:20  Unique         2.18, 3.79 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1182,1183,1184,1186,1187,1188,
 &end
#
# 15 THR  MG2          15 THR  HN          2.80    (#    637:10  Unique         2.37, 3.33 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 214, 215, 216,
 &end
#
# 16 SER  HN           15 THR  HN          2.80    (#    634:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 222, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  HN           17 GLU  HN          5.50    (#    739:10  Unique         4.46, 4.80 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 208, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 VAL  MGX          15 THR  HN          5.50    (#    734:10  Unique         4.05, 5.46 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 15 THR  MG2          16 SER  HN          5.50    (#    735:10  Unique         4.82, 5.35 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 214, 215, 216,
 &end
#
# 15 THR  MG2          20 VAL  MGX         3.50    (#   1442:20  Unique         2.45, 4.67 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 214, 215, 216,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 15 THR  MG2          20 VAL  MGY         2.80    (#   1483:20  Unique         2.45, 4.67 A)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 214, 215, 216,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 15 THR  MG2          22 ALA  MB          3.50    (#   1551:20  Unique         3.09, 4.75 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 214, 215, 216,
 igr2= 310, 311, 312,
 &end
#
# 15 THR  MG2           4 VAL  MGX         5.50    (#   1637:20  Unique         7.36, 9.20 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 214, 215, 216,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 15 THR  MG2          53 VAL  HB          5.50    (#   2843:20  Unique         3.39, 4.28 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 214, 215, 216,
 &end
#
# 15 THR  MG2          53 VAL  MGY         2.80    (#   1489:20  Unique         2.85, 4.91 A)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 214, 215, 216,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 16 SER  HN           16 SER  HA          3.50    (#    124:20  Unique         2.83, 2.93 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 GLU  HN           16 SER  HA          4.50    (#    113:20  Unique         2.90, 3.06 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 233, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 GLY  HA+          16 SER  HA          3.50    (#    127:20  Unique         2.29, 2.96 A)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1228,1229,
 &end
#
# 81 GLY  HA-          16 SER  HA          3.50    (#    126:20  Unique         2.29, 2.96 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1228,1229,
 &end
#
# 16 SER  HA           81 GLY  HN          4.50    (#   1182:10  Unique         2.53, 2.63 A)
 &rst
  ixpk= 1182, nxpk= 10, iat= 224,1226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 SER  HN           16 SER  HB+         3.50    (#     80:20  Unique         2.39, 3.06 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 226, 227,
 &end
#
# 81 GLY  HA+          16 SER  HB+         5.50    (#   2106:20  Unique         3.47, 4.45 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1228,1229,
 igr2= 226, 227,
 &end
#
# 16 SER  HB-          16 SER  HN          2.80    (#    497:10  Unique         2.39, 3.06 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 226, 227,
 &end
#
# 17 GLU  HG+          16 SER  HB-         5.50    (#   2104:20  Unique         2.95, 4.33 A)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 240, 241,
 igr2= 226, 227,
 &end
#
# 17 GLU  HN           16 SER  HB-         5.50    (#   2107:20  Unique         3.12, 4.17 A)
 &rst
  ixpk= 2107, nxpk= 20, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 226, 227,
 &end
#
# 81 GLY  HA+          16 SER  HB-         5.50    (#   2105:20  Unique         3.47, 4.45 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1228,1229,
 igr2= 226, 227,
 &end
#
# 17 GLU  HN           16 SER  HN          2.80    (#    492:10  Unique         2.55, 2.78 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 233, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 17 GLU  HA           17 GLU  HB-         3.50    (#    824:20  Unique         2.41, 2.73 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 237, 238,
 &end
#
# 17 GLU  HA           17 GLU  HG+         3.50    (#    704:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
# 17 GLU  HA           17 GLU  HN          3.50    (#    384:10  Unique         2.90, 2.96 A)
 &rst
  ixpk= 384, nxpk= 10, iat= 235, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 GLU  HA           18 GLY  HA+         4.50    (#   2573:20  Unique         4.20, 4.32 A)
 &rst
  ixpk= 2573, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 250, 251,
 &end
#
# 17 GLU  HA           18 GLY  HA-         5.50    (#   2572:20  Unique         4.20, 4.32 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
# 17 GLU  HA           18 GLY  HN          2.80    (#    606:10  Unique         2.36, 2.54 A)
 &rst
  ixpk= 606, nxpk= 10, iat= 235, 248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 17 GLU  HA           20 VAL  MGX         4.50    (#   1437:20  Unique         4.98, 6.66 A)
 &rst
  ixpk= 1437, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 17 GLU  HA           51 LYS  HE-         5.50    (#    526:20  Unique         4.74, 5.41 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 761, 762,
 &end
#
# 17 GLU  HA           80 ASP  HA          4.50    (#    282:20  Unique         4.28, 4.48 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 235,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17 GLU  HA           80 ASP  HN          5.50    (#   1172:10  Unique         5.31, 5.50 A)
 &rst
  ixpk= 1172, nxpk= 10, iat= 235,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 GLU  HG+          17 GLU  HB+         2.80    (#    827:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 240, 241,
 igr2= 237, 238,
 &end
#
# 17 GLU  HB+          17 GLU  HN          2.80    (#    383:10  Unique         2.46, 3.23 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 237, 238,
 &end
#
# 17 GLU  HB-          17 GLU  HN          2.80    (#    382:10  Unique         2.46, 3.23 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 237, 238,
 &end
#
# 17 GLU  HG+          17 GLU  HN          3.50    (#    381:10  Unique         2.50, 3.56 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
# 17 GLU  HG+          18 GLY  HN          4.50    (#    754:10  Unique         4.70, 5.04 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 240, 241,
 &end
#
# 51 LYS  HE+          17 GLU  HG+         5.50    (#   2698:20  Unique         3.22, 5.12 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 761, 762,
 igr2= 240, 241,
 &end
#
# 17 GLU  HN           18 GLY  HN          5.50    (#    756:10  Unique         2.69, 3.24 A)
 &rst
  ixpk= 756, nxpk= 10, iat= 233, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 VAL  MGX          17 GLU  HN          4.50    (#    749:10  Unique         2.57, 4.49 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 18 GLY  HA+          18 GLY  HN          2.80    (#    609:10  Unique         2.33, 2.67 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 18 GLY  HA+          19 VAL  HN          2.80    (#    153:10  Unique         2.23, 2.61 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 19 VAL  MGX          18 GLY  HA+         5.50    (#   2891:20  Unique         4.19, 6.12 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2= 250, 251,
 &end
#
# 18 GLY  HN           18 GLY  HA-         2.80    (#    422:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 250, 251,
 &end
#
# 19 VAL  HB           18 GLY  HA-         5.50    (#   2762:20  Unique         4.60, 4.97 A)
 &rst
  ixpk= 2762, nxpk= 20, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
# 18 GLY  HA-          19 VAL  HN          2.80    (#    152:10  Unique         2.23, 2.61 A)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 19 VAL  MGX          18 GLY  HA-         5.50    (#   2890:20  Unique         4.19, 6.12 A)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2= 250, 251,
 &end
#
# 19 VAL  HN           18 GLY  HN          4.50    (#    757:10  Unique         4.53, 4.56 A)
 &rst
  ixpk= 757, nxpk= 10, iat= 255, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HA           18 GLY  HN          5.50    (#    755:10  Unique         4.59, 4.84 A)
 &rst
  ixpk= 755, nxpk= 10, iat=1194, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASP  HA           18 GLY  HN          2.80    (#    607:10  Unique         2.81, 2.86 A)
 &rst
  ixpk= 607, nxpk= 10, iat=1216, 248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 18 GLY  HN           80 ASP  HB-         5.50    (#   2309:20  Unique         3.58, 4.65 A)
 &rst
  ixpk= 2309, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1218,1219,
 &end
#
# 80 ASP  HN           18 GLY  HN          3.50    (#    605:10  Unique         2.88, 3.19 A)
 &rst
  ixpk= 605, nxpk= 10, iat=1214, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 VAL  HB           19 VAL  HA          4.50    (#   1935:20  Unique         3.06, 3.07 A)
 &rst
  ixpk= 1935, nxpk= 20, iat= 259, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 VAL  HN           19 VAL  HA          5.50    (#   2916:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 2916, nxpk= 20, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 VAL  MGX          19 VAL  HA          3.50    (#   1936:20  Unique         2.38, 3.16 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 20 VAL  HN           19 VAL  HA          2.80    (#   1934:20  Unique         2.16, 2.22 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 271, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 19 VAL  HA           20 VAL  MGX         3.50    (#   1429:20  Unique         3.58, 5.56 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 19 VAL  HB           19 VAL  HN          2.80    (#    154:10  Unique         2.36, 2.44 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 259, 255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 19 VAL  HB           19 VAL  MGX         2.80    (#   1409:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1409, nxpk= 20, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HB           19 VAL  MGY         2.80    (#   1592:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1592, nxpk= 20, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HB           20 VAL  HN          4.50    (#    765:10  Unique         4.25, 4.35 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 259, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 VAL  HB           51 LYS  HN          5.50    (#   1008:10  Unique         3.88, 4.34 A)
 &rst
  ixpk= 1008, nxpk= 10, iat= 259, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 VAL  MGX          19 VAL  HN          2.80    (#    155:10  Unique         2.42, 4.01 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HN           19 VAL  MGY         4.50    (#   1589:20  Unique         2.42, 4.01 A)
 &rst
  ixpk= 1589, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HN           20 VAL  HN          5.50    (#    767:10  Unique         4.40, 4.45 A)
 &rst
  ixpk= 767, nxpk= 10, iat= 255, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 VAL  HN           20 VAL  MGX         5.50    (#   2271:20  Unique         4.12, 6.11 A)
 &rst
  ixpk= 2271, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 50 LEU  HA           19 VAL  HN          5.50    (#    759:10  Unique         3.39, 3.76 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 731, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 VAL  MGX          20 VAL  HN          3.50    (#    762:10  Unique         3.06, 4.37 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 77 VAL  MGX          19 VAL  MGX         2.80    (#   1414:20  Unique         2.44, 5.99 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1163,1164,1165,1167,1168,1169,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  MGX          79 LYS  HA          4.50    (#   1989:20  Unique         3.69, 5.15 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  MGX          79 LYS  HD+         3.50    (#    997:20  Unique         2.41, 5.08 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1202,1203,
 &end
#
# 79 LYS  HE+          19 VAL  MGX         4.50    (#   1395:20  Unique         2.44, 5.44 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1205,1206,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  MGX          79 LYS  HG+         3.50    (#   1253:20  Unique         2.18, 4.70 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1199,1200,
 &end
#
# 19 VAL  MGX          80 ASP  HN          5.50    (#   1177:10  Unique         4.95, 6.46 A)
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 20 VAL  HN           19 VAL  MGY         2.80    (#   1588:20  Unique         3.06, 4.37 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 21 LEU  HB+          19 VAL  MGY         3.50    (#   1594:20  Unique         3.82, 6.86 A)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 291, 292,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 77 VAL  MGX          19 VAL  MGY         2.80    (#   1596:20  Unique         2.44, 5.99 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1163,1164,1165,1167,1168,1169,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 84 VAL  MGX          19 VAL  MGY         4.50    (#   1597:20  Unique         3.90, 7.18 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 2 ALA  HA            2 ALA  MB          2.80    (#   1664:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  25,  26,  27,
 &end
#
# 3 ILE  HA            2 ALA  HA          5.50    (#   2569:20  Unique         4.44, 4.51 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=  33,  23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 2 ALA  HA            3 ILE  HB          5.50    (#   2660:20  Unique         4.53, 4.94 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  23,  35, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 ILE  HG1-          2 ALA  HA          4.50    (#    334:20  Unique         4.02, 5.01 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  41,  42,
 &end
#
# 2 ALA  HA            3 ILE  HN          2.80    (#    157:10  Unique         2.21, 2.55 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 3 ILE  HA            2 ALA  MB          5.50    (#   2504:20  Unique         4.53, 5.16 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  25,  26,  27,
 &end
#
# 3 ILE  HB            2 ALA  MB          4.50    (#   1665:20  Unique         4.18, 5.33 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
# 2 ALA  MB            3 ILE  HN          2.80    (#    159:10  Unique         2.10, 3.17 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  25,  26,  27,
 &end
#
# 4 VAL  MGY           2 ALA  MB          4.20    (#   1666:20  Unique         2.88, 6.37 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=  56,  57,  58,  60,  61,  62,
 igr2=  25,  26,  27,
 &end
#
# 20 VAL  HA           20 VAL  HB          4.50    (#   2532:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2532, nxpk= 20, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 VAL  HA           20 VAL  HN          3.50    (#    766:10  Unique         2.95, 2.96 A)
 &rst
  ixpk= 766, nxpk= 10, iat= 273, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 VAL  MGY          20 VAL  HA          2.80    (#   1958:20  Unique         2.34, 3.12 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 21 LEU  HN           20 VAL  HA          2.80    (#   2917:20  Unique         2.06, 2.14 A)
 &rst
  ixpk= 2917, nxpk= 20, iat= 287, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20 VAL  HA           51 LYS  HB+         3.50    (#    744:20  Unique         2.62, 3.52 A)
 &rst
  ixpk= 744, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 752, 753,
 &end
#
# 20 VAL  HA           51 LYS  HN          2.80    (#    105:10  Unique         2.37, 2.57 A)
 &rst
  ixpk= 105, nxpk= 10, iat= 273, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20 VAL  HB           20 VAL  HN          2.80    (#     49:10  Unique         2.74, 2.78 A)
 &rst
  ixpk= 49, nxpk= 10, iat= 275, 271, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20 VAL  MGX          20 VAL  HB          2.80    (#    700:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  HB           78 LEU  HB+         4.50    (#    448:20  Unique         2.50, 3.32 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1177,1178,
 &end
#
# 78 LEU  HB-          20 VAL  HB          2.80    (#    699:20  Unique         2.50, 3.32 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1177,1178,
 &end
#
# 20 VAL  HB           78 LEU  HN          3.50    (#    788:10  Unique         3.42, 3.52 A)
 &rst
  ixpk= 788, nxpk= 10, iat= 275,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 VAL  HN           20 VAL  MGX         3.50    (#   1433:20  Unique         2.91, 4.20 A)
 &rst
  ixpk= 1433, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  HN           21 LEU  HN          4.50    (#    769:10  Unique         4.07, 4.18 A)
 &rst
  ixpk= 769, nxpk= 10, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 VAL  HN           51 LYS  HN          5.50    (#   1009:10  Unique         4.75, 4.83 A)
 &rst
  ixpk= 1009, nxpk= 10, iat= 271, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 VAL  HN           78 LEU  HB+         5.50    (#   2204:20  Unique         3.79, 4.45 A)
 &rst
  ixpk= 2204, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
# 78 LEU  HB-          20 VAL  HN          4.50    (#    764:10  Unique         3.79, 4.45 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1177,1178,
 &end
#
# 78 LEU  HN           20 VAL  HN          3.50    (#     46:10  Unique         2.99, 3.10 A)
 &rst
  ixpk= 46, nxpk= 10, iat=1173, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 VAL  MGX          51 LYS  HB+         3.50    (#    747:20  Unique         2.20, 3.99 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 277, 278, 279, 281, 282, 283,
 igr2= 752, 753,
 &end
#
# 51 LYS  HD+          20 VAL  MGX         2.80    (#   1430:20  Unique         2.40, 4.06 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 758, 759,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 51 LYS  HG+          20 VAL  MGX         4.50    (#   1431:20  Unique         2.86, 5.11 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 755, 756,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGY          51 LYS  HB+         4.50    (#    748:20  Unique         2.20, 3.99 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 277, 278, 279, 281, 282, 283,
 igr2= 752, 753,
 &end
#
# 21 LEU  HA           21 LEU  HB+         3.50    (#    418:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 418, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB-          21 LEU  HA          4.50    (#   2006:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 291, 292,
 &end
#
# 21 LEU  HN           21 LEU  HA          3.50    (#   2008:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22 ALA  HN           21 LEU  HA          2.80    (#   2007:20  Unique         2.09, 2.18 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 306, 289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  HA           21 LEU  HA          3.50    (#   2005:20  Unique         2.24, 2.44 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=1159, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21 LEU  HG           21 LEU  HB+         2.80    (#    420:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 291, 292,
 &end
#
# 21 LEU  HN           21 LEU  HB+         4.50    (#    417:20  Unique         2.26, 2.65 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 291, 292,
 &end
#
# 22 ALA  HN           21 LEU  HB+         5.50    (#   2197:20  Unique         4.17, 4.47 A)
 &rst
  ixpk= 2197, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB+          50 LEU  MDX         2.80    (#   1361:20  Unique         2.17, 3.94 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 291, 292,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 52 ILE  HA           21 LEU  HB+         5.50    (#   2542:20  Unique         2.80, 3.74 A)
 &rst
  ixpk= 2542, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB+          52 ILE  HG1+        5.50    (#   2828:20  Unique         2.25, 3.90 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 291, 292,
 igr2= 780, 781,
 &end
#
# 21 LEU  HG           21 LEU  HB-         2.80    (#    413:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB-          21 LEU  HN          2.80    (#     78:10  Unique         2.26, 2.65 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 291, 292,
 &end
#
# 21 LEU  HB-          21 LEU  MDY         2.80    (#   1188:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 291, 292,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 21 LEU  HB-          22 ALA  HN          5.50    (#    779:10  Unique         4.17, 4.47 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
# 52 ILE  HA           21 LEU  HB-         4.50    (#   2541:20  Unique         2.80, 3.74 A)
 &rst
  ixpk= 2541, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 291, 292,
 &end
#
# 52 ILE  HG1-         21 LEU  HB-         3.50    (#   2789:20  Unique         2.25, 3.90 A)
 &rst
  ixpk= 2789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 780, 781,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB-          52 ILE  QD1         4.50    (#   1868:20  Unique         3.95, 5.36 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 291, 292,
 igr2= 783, 784, 785,
 &end
#
# 21 LEU  HB-          52 ILE  QG2         4.50    (#   1744:20  Unique         2.83, 5.14 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 291, 292,
 igr2= 776, 777, 778,
 &end
#
# 21 LEU  HG           77 VAL  MGX         3.80    (#   1560:20  Unique         2.22, 5.66 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 21 LEU  HG           77 VAL  MGY         4.50    (#   1521:20  Unique         2.22, 5.66 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 22 ALA  HN           21 LEU  HN          5.50    (#     67:10  Unique         3.99, 4.17 A)
 &rst
  ixpk= 67, nxpk= 10, iat= 306, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LEU  HN           50 LEU  MDX         3.50    (#   1355:20  Unique         2.67, 4.53 A)
 &rst
  ixpk= 1355, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 22 ALA  HN           21 LEU  MDX         4.50    (#   1288:20  Unique         2.33, 5.08 A)
 &rst
  ixpk= 1288, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 75 LEU  HA           21 LEU  MDX         5.50    (#   2471:20  Unique         3.07, 5.26 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 76 LEU  HN           21 LEU  MDX         5.50    (#   1289:20  Unique         2.89, 5.44 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 77 VAL  HA           21 LEU  MDX         5.50    (#   1291:20  Unique         2.70, 5.45 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 22 ALA  HN           22 ALA  HA          4.50    (#   2034:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 ALA  MB           22 ALA  HA          2.80    (#   2040:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
# 23 ASP  HN           22 ALA  HA          2.80    (#   2035:20  Unique         2.16, 2.25 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 316, 308, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53 VAL  HB           22 ALA  HA          3.50    (#   2038:20  Unique         2.36, 2.42 A)
 &rst
  ixpk= 2038, nxpk= 20, iat= 793, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22 ALA  HA           53 VAL  HN          2.80    (#    127:10  Unique         2.31, 2.48 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 308, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 22 ALA  HA           53 VAL  MGY         3.50    (#   1533:20  Unique         3.57, 4.65 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 22 ALA  MB           22 ALA  HN          2.80    (#     44:10  Unique         2.32, 2.94 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
# 23 ASP  HN           22 ALA  HN          5.50    (#    783:10  Unique         4.14, 4.50 A)
 &rst
  ixpk= 783, nxpk= 10, iat= 316, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LEU  HA           22 ALA  HN          5.50    (#    781:10  Unique         4.14, 4.65 A)
 &rst
  ixpk= 781, nxpk= 10, iat=1121, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 LEU  HN           22 ALA  HN          3.00    (#     42:10  Unique         2.92, 3.04 A)
 &rst
  ixpk= 42, nxpk= 10, iat=1138, 306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 77 VAL  HA           22 ALA  HN          3.50    (#    780:10  Unique         3.12, 3.34 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1159, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 ASP  HN           22 ALA  MB          3.50    (#   1538:20  Unique         2.77, 3.68 A)
 &rst
  ixpk= 1538, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
# 24 PHE  HD           22 ALA  MB          5.50    (#   2451:20  Unique         3.28, 5.72 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 336, 344,
 igr2= 310, 311, 312,
 &end
#
# 55 ILE  QD1          22 ALA  MB          4.50    (#   1550:20  Unique         4.97, 6.79 A)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 840, 841, 842,
 igr2= 310, 311, 312,
 &end
#
# 75 LEU  HA           22 ALA  MB          5.50    (#   2477:20  Unique         4.64, 5.40 A)
 &rst
  ixpk= 2477, nxpk= 20, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
# 76 LEU  HB-          22 ALA  MB          2.80    (#   1545:20  Unique         2.13, 3.64 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1142,1143,
 igr2= 310, 311, 312,
 &end
#
# 22 ALA  MB           76 LEU  HN          2.80    (#    261:10  Unique         2.90, 3.88 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
# 23 ASP  HB+          23 ASP  HA          3.50    (#   2027:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          23 ASP  HA          4.50    (#   2026:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 2026, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 320, 321,
 &end
#
# 23 ASP  HN           23 ASP  HA          3.50    (#   2023:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 316, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 ASP  HA           24 PHE  HN          2.80    (#     77:10  Unique         2.10, 2.15 A)
 &rst
  ixpk= 77, nxpk= 10, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 75 LEU  HA           23 ASP  HA          3.50    (#   2025:20  Unique         2.60, 2.74 A)
 &rst
  ixpk= 2025, nxpk= 20, iat=1121, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 LEU  HG           23 ASP  HA          4.50    (#   2751:20  Unique         2.76, 4.12 A)
 &rst
  ixpk= 2751, nxpk= 20, iat=1126, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 LEU  MDX          23 ASP  HA          2.80    (#   2028:20  Unique         2.13, 4.54 A)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1128,1129,1130,1132,1133,1134,
 &end
#
# 23 ASP  HA           76 LEU  HN          4.50    (#   1156:10  Unique         3.79, 3.92 A)
 &rst
  ixpk= 1156, nxpk= 10, iat= 318,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 ASP  HB+          23 ASP  HN          2.80    (#    231:10  Unique         2.37, 2.92 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          23 ASP  HN          2.80    (#    230:10  Unique         2.37, 2.92 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          39 LEU  MDY         5.50    (#   2694:20  Unique         2.66, 4.48 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 320, 321,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 23 ASP  HB-          54 LYS  HA          3.50    (#   1975:20  Unique         2.28, 3.28 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 320, 321,
 &end
#
# 53 VAL  HB           23 ASP  HN          4.50    (#    795:10  Unique         3.97, 4.04 A)
 &rst
  ixpk= 795, nxpk= 10, iat= 793, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 ASP  HN           54 LYS  HA          3.50    (#   1972:20  Unique         2.62, 2.77 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 316, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 ASP  HN           55 ILE  HN          5.50    (#   1032:10  Unique         3.49, 3.68 A)
 &rst
  ixpk= 1032, nxpk= 10, iat= 316, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PHE  HB+          24 PHE  HA          4.50    (#   1966:20  Unique         2.54, 2.80 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB-          24 PHE  HA          4.50    (#   2576:20  Unique         2.54, 2.80 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
# 24 PHE  HN           24 PHE  HA          3.50    (#   1963:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1963, nxpk= 20, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24 PHE  HA           25 TRP  HN          2.80    (#    189:10  Unique         2.13, 2.16 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 330, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 ILE  QG2          24 PHE  HA          3.50    (#   1968:20  Unique         2.29, 3.27 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 833, 834, 835,
 &end
#
# 24 PHE  HD           24 PHE  HB+         3.50    (#    637:20  Unique         2.38, 3.09 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
# 24 PHE  HB+          24 PHE  HN          4.50    (#    802:10  Unique         2.28, 2.93 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB+          25 TRP  HN          5.50    (#    811:10  Unique         3.50, 4.02 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
# 57 VAL  MGX          24 PHE  HB+         3.50    (#    640:20  Unique         2.41, 4.89 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2= 332, 333,
 &end
#
# 24 PHE  HB+          69 VAL  MGY         3.50    (#   1602:20  Unique         2.41, 4.28 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 332, 333,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 72 ILE  QG2          24 PHE  HB+         4.50    (#   2871:20  Unique         2.56, 3.81 A)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1078,1079,1080,
 igr2= 332, 333,
 &end
#
# 74 THR  HB           24 PHE  HB+         4.50    (#   2596:20  Unique         2.17, 2.88 A)
 &rst
  ixpk= 2596, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 332, 333,
 &end
#
# 24 PHE  HB+          74 THR  HN          4.50    (#   1139:10  Unique         2.89, 3.60 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
# 24 PHE  HD           24 PHE  HB-         3.50    (#    633:20  Unique         2.38, 3.09 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
# 24 PHE  HB-          24 PHE  HN          3.50    (#    803:10  Unique         2.28, 2.93 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB-          25 TRP  HN          5.50    (#    808:10  Unique         3.50, 4.02 A)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
# 57 VAL  MGX          24 PHE  HB-         4.50    (#   2754:20  Unique         2.41, 4.89 A)
 &rst
  ixpk= 2754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2= 332, 333,
 &end
#
# 69 VAL  MGY          24 PHE  HB-         4.50    (#   2895:20  Unique         2.41, 4.28 A)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1034,1035,1036,1038,1039,1040,
 igr2= 332, 333,
 &end
#
# 72 ILE  QG2          24 PHE  HB-         4.50    (#   2896:20  Unique         2.56, 3.81 A)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1078,1079,1080,
 igr2= 332, 333,
 &end
#
# 74 THR  HB           24 PHE  HB-         3.50    (#    635:20  Unique         2.17, 2.88 A)
 &rst
  ixpk= 635, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
# 24 PHE  HB-          74 THR  HN          3.50    (#   1137:10  Unique         2.89, 3.60 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
# 74 THR  MG2          24 PHE  HB-         5.50    (#   2897:20  Unique         3.04, 4.67 A)
 &rst
  ixpk= 2897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1111,1112,1113,
 igr2= 332, 333,
 &end
#
# 24 PHE  HD           24 PHE  HN          3.50    (#    801:10  Unique         2.31, 3.75 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 344,
 &end
#
# 24 PHE  HD           55 ILE  QG2         4.50    (#   1833:20  Unique         2.95, 4.18 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 336, 344,
 igr2= 833, 834, 835,
 &end
#
# 24 PHE  HD           57 VAL  MGX         2.80    (#   1341:20  Unique         2.17, 5.97 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 344,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 24 PHE  HD           57 VAL  MGY         5.50    (#   2455:20  Unique         2.17, 5.97 A)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 336, 344,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 24 PHE  HD           64 ALA  HN          5.50    (#   1085:10  Unique         4.05, 5.86 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 344,
 &end
#
# 24 PHE  HD           64 ALA  MB          4.50    (#   1733:20  Unique         2.69, 5.60 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 336, 344,
 igr2= 965, 966, 967,
 &end
#
# 24 PHE  HD           69 VAL  MGY         4.50    (#   1621:20  Unique         3.30, 5.11 A)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 344,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 24 PHE  HD           72 ILE  QG2         5.50    (#   2464:20  Unique         4.34, 6.01 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 336, 344,
 igr2=1078,1079,1080,
 &end
#
# 24 PHE  HD           74 THR  MG2         5.50    (#   1495:20  Unique         3.17, 5.74 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 336, 344,
 igr2=1111,1112,1113,
 &end
#
# 24 PHE  HD           76 LEU  HN          5.50    (#   1154:10  Unique         3.17, 5.91 A)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 344,
 &end
#
# 24 PHE  HN           74 THR  HN          4.50    (#    254:10  Unique         2.98, 3.20 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 328,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HB+          25 TRP  HA          3.50    (#   1983:20  Unique         2.21, 2.50 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB-          25 TRP  HA          3.50    (#   1982:20  Unique         2.21, 2.50 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
# 25 TRP  HA           25 TRP  HN          2.80    (#    806:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 806, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 TRP  HA           26 ALA  HN          2.80    (#    820:10  Unique         2.54, 2.65 A)
 &rst
  ixpk= 820, nxpk= 10, iat= 350, 372, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 TRP  HA           26 ALA  MB          5.50    (#   2506:20  Unique         4.57, 5.06 A)
 &rst
  ixpk= 2506, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 376, 377, 378,
 &end
#
# 32 CYS  HB3          25 TRP  HA          4.50    (#   2743:20  Unique         3.09, 4.18 A)
 &rst
  ixpk= 2743, nxpk= 20, iat= 456, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HA           72 ILE  HB          4.50    (#   2536:20  Unique         2.23, 2.36 A)
 &rst
  ixpk= 2536, nxpk= 20, iat= 350,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 ILE  QD1          25 TRP  HA          4.50    (#   1985:20  Unique         2.28, 3.47 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1085,1086,1087,
 &end
#
# 25 TRP  HA           72 ILE  QG2         4.50    (#   2503:20  Unique         2.50, 3.65 A)
 &rst
  ixpk= 2503, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1078,1079,1080,
 &end
#
# 25 TRP  HD1          25 TRP  HB+         4.50    (#   2398:20  Unique         2.47, 3.09 A)
 &rst
  ixpk= 2398, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
# 25 TRP  HB+          25 TRP  HN          5.50    (#    810:10  Unique         2.78, 3.43 A)
 &rst
  ixpk= 810, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB+          26 ALA  HN          2.80    (#    817:10  Unique         2.59, 3.31 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB+          32 CYS  HB2         4.50    (#   2744:20  Unique         3.49, 4.76 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB+          32 CYS  HB3         3.50    (#    722:20  Unique         2.11, 3.26 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
# 25 TRP  HD1          25 TRP  HB-         5.50    (#   2399:20  Unique         2.47, 3.09 A)
 &rst
  ixpk= 2399, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 352, 353,
 &end
#
# 25 TRP  HE3          25 TRP  HB-         5.50    (#   2401:20  Unique         2.82, 3.61 A)
 &rst
  ixpk= 2401, nxpk= 20, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 352, 353,
 &end
#
# 25 TRP  HB-          25 TRP  HN          4.50    (#    809:10  Unique         2.78, 3.43 A)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB-          26 ALA  HN          3.50    (#    818:10  Unique         2.59, 3.31 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
# 32 CYS  HB2          25 TRP  HB-         5.50    (#   2609:20  Unique         3.49, 4.76 A)
 &rst
  ixpk= 2609, nxpk= 20, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 352, 353,
 &end
#
# 25 TRP  HB-          32 CYS  HB3         4.50    (#   2720:20  Unique         2.11, 3.26 A)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
# 25 TRP  HD1          26 ALA  HA          5.50    (#   2939:20  Unique         4.41, 4.65 A)
 &rst
  ixpk= 2939, nxpk= 20, iat= 356, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HD1          26 ALA  HN          3.50    (#    822:10  Unique         2.66, 2.84 A)
 &rst
  ixpk= 822, nxpk= 10, iat= 356, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HD1          27 PRO  HA          4.50    (#     30:20  Unique         3.00, 3.72 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 356, 392, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HD1          32 CYS  HB2         5.50    (#   2380:20  Unique         2.50, 3.05 A)
 &rst
  ixpk= 2380, nxpk= 20, iat= 356, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HD1          32 CYS  HB3         4.50    (#   2378:20  Unique         1.96, 2.10 A)
 &rst
  ixpk= 2378, nxpk= 20, iat= 356, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HE1          54 LYS  HB-         5.50    (#    734:20  Unique         5.50, 6.37 A)
 &rst
  ixpk= 734, nxpk= 20, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 809, 810,
 &end
#
# 25 TRP  HE3          25 TRP  HN          2.80    (#    190:10  Unique         2.13, 2.41 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 367, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 TRP  HE3          54 LYS  HB+         5.50    (#   2429:20  Unique         2.89, 3.88 A)
 &rst
  ixpk= 2429, nxpk= 20, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 809, 810,
 &end
#
# 25 TRP  HE3          55 ILE  HN          2.80    (#    200:10  Unique         2.44, 2.53 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 367, 827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 TRP  HH2          27 PRO  HG-         4.50    (#   2439:20  Unique         4.55, 5.19 A)
 &rst
  ixpk= 2439, nxpk= 20, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 386, 387,
 &end
#
# 25 TRP  HN           55 ILE  HN          3.50    (#    199:10  Unique         3.25, 3.41 A)
 &rst
  ixpk= 199, nxpk= 10, iat= 348, 827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 ILE  QG2          25 TRP  HN          4.50    (#    815:10  Unique         3.93, 4.89 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 833, 834, 835,
 &end
#
# 56 ASP  HA           25 TRP  HN          4.50    (#    807:10  Unique         3.02, 3.14 A)
 &rst
  ixpk= 807, nxpk= 10, iat= 848, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 VAL  HN           25 TRP  HN          3.50    (#    805:10  Unique         3.11, 3.28 A)
 &rst
  ixpk= 805, nxpk= 10, iat= 858, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  MGX          25 TRP  HN          3.50    (#    812:10  Unique         2.79, 4.70 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  MGY          25 TRP  HN          4.50    (#    813:10  Unique         2.79, 4.70 A)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 72 ILE  QG2          25 TRP  HN          4.50    (#    814:10  Unique         3.82, 4.80 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1078,1079,1080,
 &end
#
# 25 TRP  HZ2          56 ASP  HB+         4.50    (#   2306:20  Unique         4.60, 5.49 A)
 &rst
  ixpk= 2306, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 850, 851,
 &end
#
# 26 ALA  HN           26 ALA  HA          4.50    (#   2370:20  Unique         2.82, 2.85 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26 ALA  HA           26 ALA  MB          2.80    (#   1641:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 376, 377, 378,
 &end
#
# 27 PRO  HD-          26 ALA  HA          2.80    (#    357:20  Unique         2.07, 2.52 A)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 383, 384,
 &end
#
# 26 ALA  HA           57 VAL  HN          5.50    (#   1044:10  Unique         3.73, 3.96 A)
 &rst
  ixpk= 1044, nxpk= 10, iat= 374, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 VAL  MGY          26 ALA  HA          5.50    (#   2940:20  Unique         3.96, 5.82 A)
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 26 ALA  HA           58 ASP  HN          5.50    (#   1056:10  Unique         4.12, 4.59 A)
 &rst
  ixpk= 1056, nxpk= 10, iat= 374, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  HN           26 ALA  MB          4.50    (#   1659:20  Unique         2.96, 3.52 A)
 &rst
  ixpk= 1659, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 376, 377, 378,
 &end
#
# 26 ALA  HN           29 CYS  HB2         3.50    (#   2422:20  Unique         4.74, 5.00 A)
 &rst
  ixpk= 2422, nxpk= 20, iat= 372, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 ALA  HN           29 CYS  HB3         3.20    (#   2421:20  Unique         3.23, 4.32 A)
 &rst
  ixpk= 2421, nxpk= 20, iat= 372, 425, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 26 ALA  HN           29 CYS  HN          5.50    (#    833:10  Unique         3.53, 3.84 A)
 &rst
  ixpk= 833, nxpk= 10, iat= 372, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 CYS  HB2          26 ALA  HN          5.50    (#    821:10  Unique         3.10, 3.99 A)
 &rst
  ixpk= 821, nxpk= 10, iat= 455, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  HN           32 CYS  HB3         5.50    (#   2379:20  Unique         2.32, 3.39 A)
 &rst
  ixpk= 2379, nxpk= 20, iat= 372, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  HN           72 ILE  QD1         4.50    (#   1804:20  Unique         2.39, 3.52 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1085,1086,1087,
 &end
#
# 27 PRO  HD+          26 ALA  MB          3.50    (#   1642:20  Unique         2.55, 4.00 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 383, 384,
 igr2= 376, 377, 378,
 &end
#
# 27 PRO  HD-          26 ALA  MB          3.50    (#   1644:20  Unique         2.55, 4.00 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 383, 384,
 igr2= 376, 377, 378,
 &end
#
# 28 TRP  HD1          26 ALA  MB          3.50    (#   1640:20  Unique         2.30, 4.18 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 376, 377, 378,
 &end
#
# 28 TRP  HE1          26 ALA  MB          2.80    (#   1646:20  Unique         2.87, 3.61 A)
 &rst
  ixpk= 1646, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 376, 377, 378,
 &end
#
# 26 ALA  MB           28 TRP  HN          3.00    (#    831:10  Unique         2.56, 3.59 A)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 376, 377, 378,
 &end
#
# 29 CYS  HN           26 ALA  MB          5.50    (#   2468:20  Unique         3.02, 4.43 A)
 &rst
  ixpk= 2468, nxpk= 20, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 376, 377, 378,
 &end
#
# 56 ASP  HA           26 ALA  MB          5.50    (#   2942:20  Unique         3.97, 5.01 A)
 &rst
  ixpk= 2942, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 376, 377, 378,
 &end
#
# 57 VAL  HN           26 ALA  MB          5.50    (#   2241:20  Unique         3.16, 4.37 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 376, 377, 378,
 &end
#
# 57 VAL  MGX          26 ALA  MB          5.50    (#   2841:20  Unique         2.28, 5.09 A)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2= 376, 377, 378,
 &end
#
# 57 VAL  MGY          26 ALA  MB          2.80    (#   1645:20  Unique         2.28, 5.09 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2= 376, 377, 378,
 &end
#
# 26 ALA  MB           58 ASP  HB-         5.50    (#   2937:20  Unique         3.40, 4.82 A)
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 376, 377, 378,
 igr2= 878, 879,
 &end
#
# 26 ALA  MB           58 ASP  HN          4.50    (#   1050:10  Unique         3.04, 4.39 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 376, 377, 378,
 &end
#
# 27 PRO  HA           27 PRO  HB+         3.50    (#    892:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 892, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 389, 390,
 &end
#
# 27 PRO  HA           27 PRO  HB-         2.80    (#    882:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 882, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 389, 390,
 &end
#
# 27 PRO  HA           28 TRP  HN          3.50    (#    825:10  Unique         2.99, 3.44 A)
 &rst
  ixpk= 825, nxpk= 10, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 27 PRO  HD+          27 PRO  HB+         5.50    (#   2653:20  Unique         2.85, 3.70 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 383, 384,
 igr2= 389, 390,
 &end
#
# 27 PRO  HD-          27 PRO  HB+         5.50    (#   2704:20  Unique         2.85, 3.70 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 383, 384,
 igr2= 389, 390,
 &end
#
# 27 PRO  HB+          28 TRP  HN          4.50    (#    830:10  Unique         2.65, 4.01 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 389, 390,
 &end
#
# 27 PRO  HD+          27 PRO  HB-         5.50    (#   2610:20  Unique         2.85, 3.70 A)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 383, 384,
 igr2= 389, 390,
 &end
#
# 27 PRO  HD-          27 PRO  HB-         5.50    (#   2703:20  Unique         2.85, 3.70 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 383, 384,
 igr2= 389, 390,
 &end
#
# 27 PRO  HB-          27 PRO  HG+         2.80    (#   2711:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 389, 390,
 igr2= 386, 387,
 &end
#
# 27 PRO  HB-          27 PRO  HG-         3.50    (#   1138:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 389, 390,
 igr2= 386, 387,
 &end
#
# 27 PRO  HD+          27 PRO  HG+         4.50    (#   1134:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 383, 384,
 igr2= 386, 387,
 &end
#
# 27 PRO  HG-          27 PRO  HD+         3.50    (#    346:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 386, 387,
 igr2= 383, 384,
 &end
#
# 27 PRO  HD+          28 TRP  HN          4.50    (#    827:10  Unique         2.98, 3.83 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 383, 384,
 &end
#
# 27 PRO  HD-          27 PRO  HG+         4.50    (#   1135:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 383, 384,
 igr2= 386, 387,
 &end
#
# 27 PRO  HG-          27 PRO  HD-         3.50    (#    351:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 386, 387,
 igr2= 383, 384,
 &end
#
# 28 TRP  HA           28 TRP  HB+         2.50    (#   1064:20  Unique         2.27, 2.45 A)
 &rst
  ixpk= 1064, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 400, 401,
 &end
#
# 28 TRP  HA           28 TRP  HB-         2.50    (#   1061:20  Unique         2.27, 2.45 A)
 &rst
  ixpk= 1061, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 400, 401,
 &end
#
# 28 TRP  HD1          28 TRP  HB+         2.60    (#   1063:20  Unique         2.43, 3.33 A)
 &rst
  ixpk= 1063, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 400, 401,
 &end
#
# 28 TRP  HB+          28 TRP  HN          2.80    (#    828:10  Unique         2.45, 3.28 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 400, 401,
 &end
#
# 28 TRP  HD1          28 TRP  HB-         2.60    (#   1060:20  Unique         2.43, 3.33 A)
 &rst
  ixpk= 1060, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 400, 401,
 &end
#
# 28 TRP  HB-          28 TRP  HN          2.80    (#    826:10  Unique         2.45, 3.28 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 400, 401,
 &end
#
# 28 TRP  HD1          28 TRP  HN          3.00    (#    823:10  Unique         2.31, 3.53 A)
 &rst
  ixpk= 823, nxpk= 10, iat= 404, 396, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 28 TRP  HD1          29 CYS  HB2         5.50    (#   2934:20  Unique         3.92, 4.78 A)
 &rst
  ixpk= 2934, nxpk= 20, iat= 404, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 TRP  HD1          57 VAL  MGY         5.50    (#   2456:20  Unique         4.75, 7.81 A)
 &rst
  ixpk= 2456, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 28 TRP  HD1          72 ILE  QD1         4.50    (#   1802:20  Unique         3.06, 4.67 A)
 &rst
  ixpk= 1802, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1085,1086,1087,
 &end
#
# 28 TRP  HN           29 CYS  HN          2.90    (#    832:10  Unique         1.90, 2.53 A)
 &rst
  ixpk= 832, nxpk= 10, iat= 396, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 29 CYS  HA           29 CYS  HB2         3.00    (#   2558:20  Unique         2.20, 2.46 A)
 &rst
  ixpk= 2558, nxpk= 20, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29 CYS  HA           29 CYS  HB3         3.00    (#   2557:20  Unique         2.26, 2.42 A)
 &rst
  ixpk= 2557, nxpk= 20, iat= 422, 425, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29 CYS  HA           30 GLY  HN          5.50    (#    844:10  Unique         2.17, 2.32 A)
 &rst
  ixpk= 844, nxpk= 10, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 CYS  HB2          29 CYS  HN          2.80    (#    836:10  Unique         3.06, 3.52 A)
 &rst
  ixpk= 836, nxpk= 10, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 29 CYS  HB2          72 ILE  QD1         3.50    (#   1807:20  Unique         2.60, 4.34 A)
 &rst
  ixpk= 1807, nxpk= 20, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1085,1086,1087,
 &end
#
# 29 CYS  HN           29 CYS  HB3         2.50    (#    439:21  Single Ambig)
 &rst
  ixpk= 439, nxpk= 21, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 25 TRP  HD1          29 CYS  HB3         3.50    (#    439:22  Single Ambig)
 &rst
  ixpk= 439, nxpk= 22, iat= 356, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HD1          29 CYS  HB2         3.50    (#   2423:22  Single Ambig)
 &rst
  ixpk= 2423, nxpk= 22, iat= 356, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 CYS  HN           29 CYS  HB2         2.50    (#   2423:21  Single Ambig)
 &rst
  ixpk= 2423, nxpk= 21, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 32 CYS  HB2          29 CYS  HB3         3.80    (#   2559:20  Unique         2.63, 4.25 A)
 &rst
  ixpk= 2559, nxpk= 20, iat= 455, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 CYS  HB3          72 ILE  QD1         4.50    (#   1806:20  Unique         2.40, 3.43 A)
 &rst
  ixpk= 1806, nxpk= 20, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1085,1086,1087,
 &end
#
# 3 ILE  HA            3 ILE  HB          4.50    (#   2533:20  Unique         3.03, 3.05 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  33,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3 ILE  HA            3 ILE  HG1+        3.50    (#   2520:20  Unique         2.36, 2.89 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  41,  42,
 &end
#
# 3 ILE  HG1-          3 ILE  HA          3.50    (#    118:20  Unique         2.36, 2.89 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  41,  42,
 &end
#
# 3 ILE  HA            3 ILE  HN          3.50    (#    653:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  33,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 ILE  HA            3 ILE  QD1         4.50    (#   1890:20  Unique         3.75, 4.58 A)
 &rst
  ixpk= 1890, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  44,  45,  46,
 &end
#
# 3 ILE  QG2           3 ILE  HA          2.80    (#    120:20  Unique         2.39, 3.20 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
# 3 ILE  HA            4 VAL  HB          4.50    (#   2529:20  Unique         4.37, 4.50 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  33,  54, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3 ILE  HA            4 VAL  HN          2.80    (#     59:10  Unique         2.01, 2.21 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  33,  50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 3 ILE  HA           52 ILE  HB          3.50    (#    628:20  Unique         2.17, 2.30 A)
 &rst
  ixpk= 628, nxpk= 20, iat=  33, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 ILE  HA           52 ILE  HN          2.80    (#    772:10  Unique         2.45, 2.73 A)
 &rst
  ixpk= 772, nxpk= 10, iat=  33, 770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 3 ILE  HA           52 ILE  QD1         5.50    (#   2494:20  Unique         4.24, 5.21 A)
 &rst
  ixpk= 2494, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 783, 784, 785,
 &end
#
# 3 ILE  HA           52 ILE  QG2         5.50    (#   2502:20  Unique         3.63, 4.41 A)
 &rst
  ixpk= 2502, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 776, 777, 778,
 &end
#
# 3 ILE  HB            3 ILE  HN          2.80    (#    158:10  Unique         2.33, 2.49 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 3 ILE  QG2           3 ILE  HB          2.80    (#    651:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
# 3 ILE  HN            3 ILE  HG1+        5.50    (#   2283:20  Unique         2.54, 3.50 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  41,  42,
 &end
#
# 52 ILE  HB            3 ILE  HG1+        3.50    (#   1133:20  Unique         2.12, 2.51 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  41,  42,
 &end
#
# 3 ILE  HN            3 ILE  HG1-        4.50    (#   1124:20  Unique         2.54, 3.50 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  41,  42,
 &end
#
# 3 ILE  HG1-          3 ILE  QD1         2.80    (#   1899:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  41,  42,
 igr2=  44,  45,  46,
 &end
#
# 3 ILE  HG1-         43 ASP  HB+         4.50    (#   2790:20  Unique         2.48, 4.02 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  41,  42,
 igr2= 631, 632,
 &end
#
# 3 ILE  HG1-         43 ASP  HB-         4.50    (#   2791:20  Unique         2.48, 4.02 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  41,  42,
 igr2= 631, 632,
 &end
#
# 3 ILE  HG1-         52 ILE  HB          4.50    (#    629:20  Unique         2.12, 2.51 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  41,  42,
 &end
#
# 3 ILE  QD1           3 ILE  HN          2.80    (#    651:10  Unique         2.20, 3.69 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  44,  45,  46,
 &end
#
# 3 ILE  QG2           3 ILE  HN          4.50    (#    650:10  Unique         4.35, 4.61 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  37,  38,  39,
 &end
#
# 52 ILE  HB            3 ILE  HN          5.50    (#    652:10  Unique         4.25, 4.54 A)
 &rst
  ixpk= 652, nxpk= 10, iat= 774,  31, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 LEU  HB-           3 ILE  QD1         5.50    (#   1897:20  Unique         3.13, 4.69 A)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 563, 564,
 igr2=  44,  45,  46,
 &end
#
# 40 GLU  HA            3 ILE  QD1         2.80    (#   1891:20  Unique         2.07, 2.99 A)
 &rst
  ixpk= 1891, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  44,  45,  46,
 &end
#
# 40 GLU  HG+           3 ILE  QD1         4.50    (#   1894:20  Unique         2.27, 3.21 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 585, 586,
 igr2=  44,  45,  46,
 &end
#
# 40 GLU  HG-           3 ILE  QD1         4.50    (#   1895:20  Unique         2.27, 3.21 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 585, 586,
 igr2=  44,  45,  46,
 &end
#
# 40 GLU  HN            3 ILE  QD1         5.50    (#   2462:20  Unique         3.03, 4.53 A)
 &rst
  ixpk= 2462, nxpk= 20, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
# 43 ASP  HB+           3 ILE  QD1         3.50    (#   1893:20  Unique         2.43, 4.04 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632,
 igr2=  44,  45,  46,
 &end
#
# 43 ASP  HB-           3 ILE  QD1         3.50    (#   1892:20  Unique         2.43, 4.04 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632,
 igr2=  44,  45,  46,
 &end
#
# 43 ASP  HN            3 ILE  QD1         5.50    (#   2260:20  Unique         3.63, 5.24 A)
 &rst
  ixpk= 2260, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
# 4 VAL  HA            3 ILE  QG2         5.50    (#   2501:20  Unique         3.80, 4.96 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  37,  38,  39,
 &end
#
# 3 ILE  QG2           4 VAL  HN          2.80    (#     58:10  Unique         2.44, 3.21 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
# 52 ILE  HB            3 ILE  QG2         3.50    (#   1777:20  Unique         2.44, 3.80 A)
 &rst
  ixpk= 1777, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  37,  38,  39,
 &end
#
# 54 LYS  HD-           3 ILE  QG2         3.50    (#   1780:20  Unique         2.49, 3.81 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 815, 816,
 igr2=  37,  38,  39,
 &end
#
# 54 LYS  HE+           3 ILE  QG2         4.50    (#   1776:20  Unique         2.60, 5.45 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 818, 819,
 igr2=  37,  38,  39,
 &end
#
# 54 LYS  HG+           3 ILE  QG2         3.50    (#   1779:20  Unique         6.84, 9.08 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 812, 813,
 igr2=  37,  38,  39,
 &end
#
# 30 GLY  HA+          31 PRO  HD+         3.50    (#    336:20  Unique         2.15, 3.44 A)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 432, 433,
 igr2= 438, 439,
 &end
#
# 31 PRO  HD-          30 GLY  HA+         3.50    (#    381:20  Unique         2.15, 3.44 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 438, 439,
 igr2= 432, 433,
 &end
#
# 31 PRO  HG-          30 GLY  HA+         5.50    (#   2772:20  Unique         4.34, 5.37 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 441, 442,
 igr2= 432, 433,
 &end
#
# 33 LYS  HG+          30 GLY  HA+         5.50    (#   2771:20  Unique         2.35, 4.97 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 468, 469,
 igr2= 432, 433,
 &end
#
# 31 PRO  HD-          30 GLY  HA-         3.50    (#    383:20  Unique         2.15, 3.44 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 438, 439,
 igr2= 432, 433,
 &end
#
# 33 LYS  HB+          30 GLY  HA-         5.50    (#   2773:20  Unique         3.32, 5.57 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 465, 466,
 igr2= 432, 433,
 &end
#
# 33 LYS  HB-          30 GLY  HA-         5.50    (#   2770:20  Unique         3.32, 5.57 A)
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 465, 466,
 igr2= 432, 433,
 &end
#
# 33 LYS  HE+          30 GLY  HA-         5.50    (#   2721:20  Unique         2.21, 4.75 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 474, 475,
 igr2= 432, 433,
 &end
#
# 30 GLY  HA-          33 LYS  HE-         4.50    (#   2590:20  Unique         2.21, 4.75 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 432, 433,
 igr2= 474, 475,
 &end
#
# 33 LYS  HG+          30 GLY  HA-         4.50    (#   2769:20  Unique         2.35, 4.97 A)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 468, 469,
 igr2= 432, 433,
 &end
#
# 33 LYS  HN           30 GLY  HA-         5.50    (#   2346:20  Unique         3.39, 4.27 A)
 &rst
  ixpk= 2346, nxpk= 20, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 432, 433,
 &end
#
# 31 PRO  HA           31 PRO  HB+         3.50    (#    960:20  Unique         2.25, 2.64 A)
 &rst
  ixpk= 960, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 444, 445,
 &end
#
# 31 PRO  HA           31 PRO  HB-         2.80    (#    940:20  Unique         2.25, 2.64 A)
 &rst
  ixpk= 940, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 444, 445,
 &end
#
# 31 PRO  HG-          31 PRO  HA          4.50    (#     48:20  Unique         2.80, 3.56 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 441, 442,
 &end
#
# 32 CYS  HN           31 PRO  HA          5.50    (#   2081:20  Unique         3.42, 3.51 A)
 &rst
  ixpk= 2081, nxpk= 20, iat= 451, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 PRO  HA           34 MET  HB+         4.50    (#   2528:20  Unique         2.11, 3.17 A)
 &rst
  ixpk= 2528, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 487, 488,
 &end
#
# 34 MET  HB-          31 PRO  HA          3.50    (#     49:20  Unique         2.11, 3.17 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 487, 488,
 &end
#
# 31 PRO  HA           34 MET  HG+         4.50    (#   2652:20  Unique         2.21, 3.21 A)
 &rst
  ixpk= 2652, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 490, 491,
 &end
#
# 34 MET  HN           31 PRO  HA          3.50    (#     45:20  Unique         2.54, 2.94 A)
 &rst
  ixpk= 45, nxpk= 20, iat= 483, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 31 PRO  HA           34 MET  ME          5.50    (#   2499:20  Unique         2.19, 4.48 A)
 &rst
  ixpk= 2499, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 494, 495, 496,
 &end
#
# 31 PRO  HD+          31 PRO  HB+         5.50    (#   2651:20  Unique         2.84, 3.69 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 438, 439,
 igr2= 444, 445,
 &end
#
# 32 CYS  HN           31 PRO  HB+         5.50    (#   2292:20  Unique         2.79, 3.71 A)
 &rst
  ixpk= 2292, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 444, 445,
 &end
#
# 73 PRO  HD-          31 PRO  HB+         4.50    (#    961:20  Unique         2.23, 3.59 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1092,1093,
 igr2= 444, 445,
 &end
#
# 90 PHE  HB-          31 PRO  HB+         5.50    (#   2706:20  Unique         2.29, 3.67 A)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1347,1348,
 igr2= 444, 445,
 &end
#
# 31 PRO  HB-          31 PRO  HD+         5.50    (#   2735:20  Unique         2.84, 3.69 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 444, 445,
 igr2= 438, 439,
 &end
#
# 31 PRO  HB-          31 PRO  HD-         5.50    (#   2736:20  Unique         2.84, 3.69 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 444, 445,
 igr2= 438, 439,
 &end
#
# 31 PRO  HB-          31 PRO  HG+         3.50    (#   1108:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
# 31 PRO  HB-          32 CYS  HN          5.50    (#    848:10  Unique         2.79, 3.71 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 444, 445,
 &end
#
# 73 PRO  HD+          31 PRO  HB-         4.50    (#   2612:20  Unique         2.23, 3.59 A)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1092,1093,
 igr2= 444, 445,
 &end
#
# 73 PRO  HD-          31 PRO  HB-         4.50    (#   2611:20  Unique         2.23, 3.59 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1092,1093,
 igr2= 444, 445,
 &end
#
# 90 PHE  HB+          31 PRO  HB-         4.50    (#   2719:20  Unique         2.29, 3.67 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1347,1348,
 igr2= 444, 445,
 &end
#
# 90 PHE  HB-          31 PRO  HB-         4.50    (#    941:20  Unique         2.29, 3.67 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1347,1348,
 igr2= 444, 445,
 &end
#
# 31 PRO  HB-          90 PHE  HN          4.50    (#   1215:10  Unique         3.46, 4.39 A)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 444, 445,
 &end
#
# 31 PRO  HD+          31 PRO  HG+         3.50    (#   1106:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 438, 439,
 igr2= 441, 442,
 &end
#
# 31 PRO  HG-          31 PRO  HD+         3.50    (#    339:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 441, 442,
 igr2= 438, 439,
 &end
#
# 32 CYS  HN           31 PRO  HD+         5.50    (#   2349:20  Unique         2.65, 3.47 A)
 &rst
  ixpk= 2349, nxpk= 20, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 438, 439,
 &end
#
# 31 PRO  HG+          31 PRO  HD-         3.50    (#    342:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 441, 442,
 igr2= 438, 439,
 &end
#
# 31 PRO  HD-          31 PRO  HG-         3.50    (#   1112:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 438, 439,
 igr2= 441, 442,
 &end
#
# 31 PRO  HD-          32 CYS  HN          3.50    (#    850:10  Unique         2.65, 3.47 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 438, 439,
 &end
#
# 31 PRO  HG+          32 CYS  HN          5.50    (#    849:10  Unique         2.75, 4.35 A)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 441, 442,
 &end
#
# 31 PRO  HG+          73 PRO  HD+         5.50    (#   2727:20  Unique         2.30, 4.24 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 441, 442,
 igr2=1092,1093,
 &end
#
# 31 PRO  HG+          73 PRO  HD-         5.50    (#   2728:20  Unique         2.30, 4.24 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 441, 442,
 igr2=1092,1093,
 &end
#
# 73 PRO  HD-          31 PRO  HG-         4.50    (#   2617:20  Unique         2.30, 4.24 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1092,1093,
 igr2= 441, 442,
 &end
#
# 32 CYS  HA           32 CYS  HB2         3.50    (#    718:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HA           32 CYS  HB3         3.50    (#    720:20  Unique         2.41, 2.50 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HN           32 CYS  HA          4.50    (#     93:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 93, nxpk= 20, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 33 LYS  HN           32 CYS  HA          5.50    (#   2108:20  Unique         3.53, 3.58 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 461, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 MET  HN           32 CYS  HA          5.50    (#   2110:20  Unique         4.12, 4.57 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 483, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 ILE  HN           32 CYS  HA          5.50    (#   2109:20  Unique         3.26, 3.84 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 500, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 CYS  HA           35 ILE  QG2         3.50    (#   1791:20  Unique         2.23, 3.23 A)
 &rst
  ixpk= 1791, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 506, 507, 508,
 &end
#
# 73 PRO  HB+          32 CYS  HA          5.50    (#   2113:20  Unique         2.18, 3.21 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1098,1099,
 &end
#
# 32 CYS  HA           73 PRO  HB-         5.50    (#   2550:20  Unique         2.18, 3.21 A)
 &rst
  ixpk= 2550, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1098,1099,
 &end
#
# 32 CYS  HB2          32 CYS  HN          2.80    (#    585:10  Unique         2.20, 2.41 A)
 &rst
  ixpk= 585, nxpk= 10, iat= 455, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 CYS  HB2          33 LYS  HN          3.50    (#    856:10  Unique         2.59, 2.84 A)
 &rst
  ixpk= 856, nxpk= 10, iat= 455, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HN           32 CYS  HB3         5.50    (#   2321:20  Unique         3.45, 3.51 A)
 &rst
  ixpk= 2321, nxpk= 20, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 CYS  HB3          33 LYS  HE-         4.50    (#    502:20  Unique         3.32, 5.03 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 474, 475,
 &end
#
# 33 LYS  HN           32 CYS  HB3         5.50    (#   2320:20  Unique         3.48, 3.79 A)
 &rst
  ixpk= 2320, nxpk= 20, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 LYS  HA           32 CYS  HN          5.50    (#    851:10  Unique         5.20, 5.40 A)
 &rst
  ixpk= 851, nxpk= 10, iat= 463, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 LYS  HN           32 CYS  HN          2.80    (#    584:10  Unique         2.55, 2.80 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 461, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 CYS  HN           34 MET  HN          5.50    (#    863:10  Unique         3.81, 4.10 A)
 &rst
  ixpk= 863, nxpk= 10, iat= 451, 483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 LYS  HB-          33 LYS  HA          2.80    (#    189:20  Unique         2.33, 2.64 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 465, 466,
 &end
#
# 33 LYS  HG+          33 LYS  HA          3.50    (#    190:20  Unique         2.31, 3.30 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 468, 469,
 &end
#
# 33 LYS  HA           33 LYS  HG-         3.50    (#   1236:20  Unique         2.31, 3.30 A)
 &rst
  ixpk= 1236, nxpk= 20, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 468, 469,
 &end
#
# 33 LYS  HA           33 LYS  HN          2.80    (#    193:10  Unique         2.86, 2.93 A)
 &rst
  ixpk= 193, nxpk= 10, iat= 463, 461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 33 LYS  HA           34 MET  HN          4.50    (#    864:10  Unique         3.53, 3.56 A)
 &rst
  ixpk= 864, nxpk= 10, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  HN           33 LYS  HA          5.50    (#   2924:20  Unique         3.95, 4.29 A)
 &rst
  ixpk= 2924, nxpk= 20, iat= 500, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 LYS  HA           36 ALA  HN          3.50    (#    884:10  Unique         2.85, 3.30 A)
 &rst
  ixpk= 884, nxpk= 10, iat= 463, 519, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 33 LYS  HA           36 ALA  MB          3.50    (#   1842:20  Unique         2.37, 3.50 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 523, 524, 525,
 &end
#
# 33 LYS  HA           37 PRO  HD+         5.50    (#   2583:20  Unique         4.10, 4.80 A)
 &rst
  ixpk= 2583, nxpk= 20, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
# 33 LYS  HA           37 PRO  HD-         5.50    (#   2584:20  Unique         4.10, 4.80 A)
 &rst
  ixpk= 2584, nxpk= 20, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
# 33 LYS  HB+          33 LYS  HG+         2.80    (#   1235:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 465, 466,
 igr2= 468, 469,
 &end
#
# 33 LYS  HG-          33 LYS  HB+         2.80    (#    928:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 468, 469,
 igr2= 465, 466,
 &end
#
# 33 LYS  HB+          33 LYS  HN          2.80    (#    195:10  Unique         2.32, 3.16 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 465, 466,
 &end
#
# 34 MET  HN           33 LYS  HB+         4.50    (#   2337:20  Unique         2.70, 3.61 A)
 &rst
  ixpk= 2337, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 465, 466,
 &end
#
# 33 LYS  HB-          33 LYS  HD+         2.80    (#   1067:20  Unique         2.42, 3.21 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 465, 466,
 igr2= 471, 472,
 &end
#
# 33 LYS  HB-          33 LYS  HG+         2.80    (#   1234:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 465, 466,
 igr2= 468, 469,
 &end
#
# 33 LYS  HG-          33 LYS  HB-         2.80    (#    925:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 468, 469,
 igr2= 465, 466,
 &end
#
# 33 LYS  HB-          33 LYS  HN          2.80    (#    194:10  Unique         2.32, 3.16 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 465, 466,
 &end
#
# 34 MET  HN           33 LYS  HB-         4.50    (#    922:20  Unique         2.70, 3.61 A)
 &rst
  ixpk= 922, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 465, 466,
 &end
#
# 33 LYS  HE-          33 LYS  HG+         5.50    (#   2712:20  Unique         2.26, 3.13 A)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 474, 475,
 igr2= 468, 469,
 &end
#
# 33 LYS  HG+          33 LYS  HN          2.80    (#    196:10  Unique         2.02, 3.05 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 468, 469,
 &end
#
# 33 LYS  HG+          34 MET  HN          4.50    (#    866:10  Unique         2.31, 4.18 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 468, 469,
 &end
#
# 33 LYS  HG-          33 LYS  HN          4.50    (#    861:10  Unique         2.02, 3.05 A)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 468, 469,
 &end
#
# 33 LYS  HN           34 MET  HN          2.80    (#    443:10  Unique         2.08, 2.33 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 461, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  HN           33 LYS  HN          5.50    (#    862:10  Unique         3.72, 4.02 A)
 &rst
  ixpk= 862, nxpk= 10, iat= 500, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 MET  HB+          34 MET  HA          2.80    (#    241:20  Unique         2.25, 2.74 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 487, 488,
 &end
#
# 34 MET  HA           34 MET  HB-         4.50    (#    859:20  Unique         2.25, 2.74 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 487, 488,
 &end
#
# 34 MET  HA           34 MET  HG+         3.50    (#    917:20  Unique         2.40, 3.04 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 490, 491,
 &end
#
# 34 MET  HA           34 MET  HG-         3.50    (#    945:20  Unique         2.40, 3.04 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 490, 491,
 &end
#
# 34 MET  HA           34 MET  HN          2.80    (#    446:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 485, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 34 MET  HA           34 MET  ME          5.50    (#   2618:20  Unique         3.00, 5.40 A)
 &rst
  ixpk= 2618, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 494, 495, 496,
 &end
#
# 36 ALA  HN           34 MET  HA          5.50    (#   2925:20  Unique         3.74, 4.09 A)
 &rst
  ixpk= 2925, nxpk= 20, iat= 519, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 MET  HA           37 PRO  HD+         4.50    (#   2581:20  Unique         3.19, 4.02 A)
 &rst
  ixpk= 2581, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 530, 531,
 &end
#
# 34 MET  HA           37 PRO  HD-         5.50    (#   2582:20  Unique         3.19, 4.02 A)
 &rst
  ixpk= 2582, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
# 34 MET  HG+          34 MET  HB+         3.50    (#    865:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 490, 491,
 igr2= 487, 488,
 &end
#
# 34 MET  HB+          34 MET  HN          2.80    (#    449:10  Unique         2.27, 3.09 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 487, 488,
 &end
#
# 34 MET  HB+          35 ILE  HN          3.50    (#    871:10  Unique         2.59, 3.28 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 487, 488,
 &end
#
# 90 PHE  HD           34 MET  HB+         5.50    (#   2394:20  Unique         2.50, 5.39 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1351,1359,
 igr2= 487, 488,
 &end
#
# 90 PHE  HE           34 MET  HB+         5.50    (#   2396:20  Unique         2.77, 5.04 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2= 487, 488,
 &end
#
# 34 MET  HB-          34 MET  HN          2.80    (#    448:10  Unique         2.27, 3.09 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 487, 488,
 &end
#
# 90 PHE  HD           34 MET  HB-         5.50    (#   2393:20  Unique         2.50, 5.39 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1351,1359,
 igr2= 487, 488,
 &end
#
# 90 PHE  HE           34 MET  HB-         5.50    (#   2395:20  Unique         2.77, 5.04 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2= 487, 488,
 &end
#
# 34 MET  HG+          34 MET  HN          2.80    (#    450:10  Unique         2.05, 2.85 A)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 490, 491,
 &end
#
# 90 PHE  HE           34 MET  HG+         5.50    (#   2392:20  Unique         2.70, 7.00 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2= 490, 491,
 &end
#
# 34 MET  HG-          34 MET  HN          3.50    (#    447:10  Unique         2.05, 2.85 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 490, 491,
 &end
#
# 34 MET  HG-          34 MET  ME          5.50    (#   1815:20  Unique         2.55, 3.42 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 490, 491,
 igr2= 494, 495, 496,
 &end
#
# 34 MET  HG-          35 ILE  HN          5.50    (#    872:10  Unique         2.58, 4.62 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 490, 491,
 &end
#
# 35 ILE  HN           34 MET  HN          2.80    (#    444:10  Unique         2.61, 2.75 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 500, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 34 MET  HN           35 ILE  QG2         5.50    (#   2266:20  Unique         4.23, 5.46 A)
 &rst
  ixpk= 2266, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 506, 507, 508,
 &end
#
# 34 MET  HN           36 ALA  HN          4.50    (#    120:10  Unique         3.98, 4.10 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 483, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  QG2          34 MET  ME          4.50    (#   1820:20  Unique         6.47, 9.62 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 506, 507, 508,
 igr2= 494, 495, 496,
 &end
#
# 90 PHE  HD           34 MET  ME          5.50    (#   2460:20  Unique         2.91, 7.75 A)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1351,1359,
 igr2= 494, 495, 496,
 &end
#
# 90 PHE  HE           34 MET  ME          5.50    (#   1814:20  Unique         3.41, 7.79 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1353,1357,
 igr2= 494, 495, 496,
 &end
#
# 35 ILE  HA           35 ILE  HB          3.50    (#    619:20  Unique         2.50, 2.53 A)
 &rst
  ixpk= 619, nxpk= 20, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 ILE  HA           35 ILE  HG1+        4.50    (#   1018:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 510, 511,
 &end
#
# 35 ILE  HA           35 ILE  HG1-        3.50    (#   1013:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 510, 511,
 &end
#
# 35 ILE  HA           35 ILE  HN          2.80    (#    439:10  Unique         2.84, 2.87 A)
 &rst
  ixpk= 439, nxpk= 10, iat= 502, 500, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  HA           35 ILE  QG2         4.50    (#   1792:20  Unique         3.74, 3.95 A)
 &rst
  ixpk= 1792, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 506, 507, 508,
 &end
#
# 35 ILE  HA           38 VAL  HB          2.80    (#    966:20  Unique         2.81, 2.84 A)
 &rst
  ixpk= 966, nxpk= 20, iat= 502, 547, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  HN           35 ILE  HA          5.50    (#   2121:20  Unique         3.16, 3.31 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 543, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 VAL  MGX          35 ILE  HA          4.50    (#    105:20  Unique         2.37, 4.05 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  MGY          35 ILE  HA          3.50    (#    103:20  Unique         2.37, 4.05 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 90 PHE  HD           35 ILE  HA          4.50    (#   2122:20  Unique         3.21, 5.39 A)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1351,1359,
 &end
#
# 35 ILE  HB           35 ILE  HG1+        4.50    (#   1019:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1019, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 510, 511,
 &end
#
# 35 ILE  HG1-         35 ILE  HB          3.50    (#    620:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 510, 511,
 &end
#
# 35 ILE  HN           35 ILE  HB          2.80    (#    617:20  Unique         2.29, 2.34 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  QD1          35 ILE  HB          2.80    (#   2859:20  Unique         2.41, 3.10 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 513, 514, 515,
 &end
#
# 35 ILE  HB           35 ILE  QG2         2.80    (#   1794:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 506, 507, 508,
 &end
#
# 90 PHE  HA           35 ILE  HB          5.50    (#   2661:20  Unique         3.23, 3.86 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=1345, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 PHE  HD           35 ILE  HB          3.50    (#    618:20  Unique         2.20, 4.24 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1351,1359,
 &end
#
# 35 ILE  HG1+         35 ILE  HN          4.50    (#    868:10  Unique         4.22, 4.46 A)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511,
 &end
#
# 35 ILE  HG1+         35 ILE  QD1         3.50    (#   1883:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 510, 511,
 igr2= 513, 514, 515,
 &end
#
# 35 ILE  HG1+         35 ILE  QG2         3.50    (#   1797:20  Unique         2.50, 3.57 A)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 510, 511,
 igr2= 506, 507, 508,
 &end
#
# 35 ILE  HG1+         38 VAL  HB          4.50    (#   2808:20  Unique         2.55, 2.86 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511,
 &end
#
# 35 ILE  HG1+         38 VAL  MGY         2.80    (#   1460:20  Unique         2.96, 4.66 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 510, 511,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 35 ILE  HG1+         75 LEU  MDX         3.50    (#   1218:20  Unique         4.16, 5.81 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 510, 511,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 35 ILE  HG1+         90 PHE  HA          5.50    (#   2132:20  Unique         3.77, 4.92 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
# 90 PHE  HD           35 ILE  HG1+        5.50    (#   2436:20  Unique         3.32, 5.62 A)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1351,1359,
 igr2= 510, 511,
 &end
#
# 35 ILE  HG1-         35 ILE  QD1         2.80    (#   1882:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 510, 511,
 igr2= 513, 514, 515,
 &end
#
# 35 ILE  HG1-         38 VAL  HB          4.50    (#   2809:20  Unique         2.55, 2.86 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511,
 &end
#
# 35 ILE  HG1-         38 VAL  MGY         3.50    (#   1459:20  Unique         2.96, 4.66 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 510, 511,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 90 PHE  HD           35 ILE  HG1-        5.50    (#   2435:20  Unique         3.32, 5.62 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1351,1359,
 igr2= 510, 511,
 &end
#
# 90 PHE  HE           35 ILE  HG1-        5.50    (#   2434:20  Unique         2.78, 5.32 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2= 510, 511,
 &end
#
# 35 ILE  HG1-         91 LYS  HN          5.50    (#   1223:10  Unique         3.20, 4.29 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
# 35 ILE  QG2          35 ILE  HN          2.80    (#    441:10  Unique         2.27, 3.23 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 506, 507, 508,
 &end
#
# 35 ILE  HN           36 ALA  HN          2.80    (#    119:10  Unique         2.59, 2.69 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 36 ALA  MB           35 ILE  HN          5.50    (#    867:10  Unique         4.86, 5.43 A)
 &rst
  ixpk= 867, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 523, 524, 525,
 &end
#
# 90 PHE  HD           35 ILE  HN          4.50    (#    876:10  Unique         2.97, 5.53 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1351,1359,
 &end
#
# 35 ILE  QD1          90 PHE  HA          2.80    (#    145:20  Unique         2.19, 3.31 A)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 513, 514, 515,
 &end
#
# 90 PHE  HD           35 ILE  QD1         4.50    (#   1877:20  Unique         2.60, 5.26 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1351,1359,
 igr2= 513, 514, 515,
 &end
#
# 91 LYS  HB-          35 ILE  QD1         4.50    (#   1884:20  Unique         2.68, 4.82 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1367,1368,
 igr2= 513, 514, 515,
 &end
#
# 35 ILE  QD1          91 LYS  HN          2.80    (#     82:10  Unique         2.12, 3.26 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 513, 514, 515,
 &end
#
# 36 ALA  HA           35 ILE  QG2         4.50    (#   1793:20  Unique         3.40, 4.27 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 506, 507, 508,
 &end
#
# 35 ILE  QG2          36 ALA  HN          3.50    (#    125:10  Unique         2.66, 3.62 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 506, 507, 508,
 &end
#
# 35 ILE  QG2          36 ALA  MB          4.50    (#   1847:20  Unique         4.13, 5.59 A)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 506, 507, 508,
 igr2= 523, 524, 525,
 &end
#
# 35 ILE  QG2          39 LEU  HN          4.50    (#    900:10  Unique         4.32, 5.45 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 506, 507, 508,
 &end
#
# 73 PRO  HB+          35 ILE  QG2         4.50    (#   1795:20  Unique         2.54, 4.05 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1098,1099,
 igr2= 506, 507, 508,
 &end
#
# 73 PRO  HB-          35 ILE  QG2         5.50    (#   2683:20  Unique         2.54, 4.05 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1098,1099,
 igr2= 506, 507, 508,
 &end
#
# 90 PHE  HD           35 ILE  QG2         5.50    (#   2459:20  Unique         4.05, 6.62 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1351,1359,
 igr2= 506, 507, 508,
 &end
#
# 36 ALA  HA           36 ALA  HN          2.80    (#    121:10  Unique         2.73, 2.79 A)
 &rst
  ixpk= 121, nxpk= 10, iat= 521, 519, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 36 ALA  HA           36 ALA  MB          2.80    (#   1843:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 1843, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 523, 524, 525,
 &end
#
# 36 ALA  HA           39 LEU  MDY         3.50    (#   1208:20  Unique         2.44, 4.77 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 36 ALA  MB           36 ALA  HN          2.80    (#    124:10  Unique         2.49, 2.92 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 523, 524, 525,
 &end
#
# 36 ALA  HN           37 PRO  HD+         3.50    (#    359:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 359, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 530, 531,
 &end
#
# 37 PRO  HD-          36 ALA  HN          3.50    (#    122:10  Unique         2.31, 3.06 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 530, 531,
 &end
#
# 38 VAL  HN           36 ALA  HN          5.50    (#    887:10  Unique         4.00, 4.13 A)
 &rst
  ixpk= 887, nxpk= 10, iat= 543, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 ALA  MB           37 PRO  HD+         3.50    (#    363:20  Unique         2.31, 3.47 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 523, 524, 525,
 igr2= 530, 531,
 &end
#
# 37 PRO  HD-          36 ALA  MB          2.80    (#   1844:20  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 530, 531,
 igr2= 523, 524, 525,
 &end
#
# 36 ALA  MB           37 PRO  HG+         4.50    (#   2816:20  Unique         4.58, 5.65 A)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 523, 524, 525,
 igr2= 533, 534,
 &end
#
# 39 LEU  HN           36 ALA  MB          5.50    (#   2264:20  Unique         5.20, 5.47 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 523, 524, 525,
 &end
#
# 37 PRO  HA           37 PRO  HB+         3.50    (#    983:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 983, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 536, 537,
 &end
#
# 37 PRO  HA           37 PRO  HB-         2.80    (#    976:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 976, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 536, 537,
 &end
#
# 38 VAL  HN           37 PRO  HA          3.50    (#     31:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 543, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 37 PRO  HA           40 GLU  HN          3.50    (#    417:10  Unique         3.06, 3.10 A)
 &rst
  ixpk= 417, nxpk= 10, iat= 539, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 37 PRO  HA           41 GLU  HN          5.50    (#    922:10  Unique         3.91, 4.00 A)
 &rst
  ixpk= 922, nxpk= 10, iat= 539, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PRO  HD-          37 PRO  HB+         4.50    (#   2648:20  Unique         2.81, 3.66 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531,
 igr2= 536, 537,
 &end
#
# 38 VAL  HN           37 PRO  HB+         5.50    (#   2389:20  Unique         3.46, 3.94 A)
 &rst
  ixpk= 2389, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 536, 537,
 &end
#
# 37 PRO  HB-          37 PRO  HD+         4.50    (#   2726:20  Unique         2.81, 3.66 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 536, 537,
 igr2= 530, 531,
 &end
#
# 37 PRO  HD-          37 PRO  HB-         4.50    (#    977:20  Unique         2.81, 3.66 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531,
 igr2= 536, 537,
 &end
#
# 37 PRO  HG+          37 PRO  HB-         2.80    (#   2810:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 533, 534,
 igr2= 536, 537,
 &end
#
# 37 PRO  HD+          37 PRO  HG+         2.80    (#   1114:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
# 37 PRO  HD+          38 VAL  HN          3.50    (#    894:10  Unique         2.91, 3.55 A)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 530, 531,
 &end
#
# 37 PRO  HD-          37 PRO  HG+         2.80    (#   1132:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 530, 531,
 igr2= 533, 534,
 &end
#
# 37 PRO  HD-          38 VAL  HN          4.50    (#    893:10  Unique         2.91, 3.55 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 530, 531,
 &end
#
# 37 PRO  HG+          38 VAL  HN          2.80    (#    291:10  Unique         2.55, 3.40 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 533, 534,
 &end
#
# 38 VAL  HA           38 VAL  HB          3.50    (#    967:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 967, nxpk= 20, iat= 545, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 38 VAL  HA           38 VAL  HN          2.80    (#    289:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 545, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  HA           38 VAL  MGX         2.80    (#   1505:20  Unique         2.29, 3.14 A)
 &rst
  ixpk= 1505, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  HA           38 VAL  MGY         2.80    (#   1454:20  Unique         2.29, 3.14 A)
 &rst
  ixpk= 1454, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 41 GLU  HB-          38 VAL  HA          3.50    (#     27:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 597, 598,
 &end
#
# 38 VAL  HA           41 GLU  HG+         4.50    (#   2597:20  Unique         3.25, 4.22 A)
 &rst
  ixpk= 2597, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 600, 601,
 &end
#
# 38 VAL  HA           41 GLU  HN          3.50    (#    271:10  Unique         3.16, 3.30 A)
 &rst
  ixpk= 271, nxpk= 10, iat= 545, 593, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 42 LEU  HN           38 VAL  HA          5.50    (#   2076:20  Unique         3.89, 3.99 A)
 &rst
  ixpk= 2076, nxpk= 20, iat= 608, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 VAL  HB           38 VAL  HN          2.80    (#    290:10  Unique         2.66, 2.74 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 547, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  HB           38 VAL  MGX         2.80    (#   1507:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1507, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  HB           38 VAL  MGY         2.80    (#   1455:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  HB           39 LEU  HN          2.80    (#    400:10  Unique         2.72, 2.80 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  HB           40 GLU  HN          5.50    (#    904:10  Unique         5.17, 5.24 A)
 &rst
  ixpk= 904, nxpk= 10, iat= 547, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 VAL  MGX          38 VAL  HN          3.50    (#    889:10  Unique         1.99, 3.73 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  MGY          38 VAL  HN          2.80    (#    292:10  Unique         1.99, 3.73 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  HN           39 LEU  HN          2.80    (#    398:10  Unique         2.54, 2.60 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 543, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40 GLU  HN           38 VAL  HN          4.50    (#    896:10  Unique         3.96, 4.03 A)
 &rst
  ixpk= 896, nxpk= 10, iat= 578, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 LEU  HN           38 VAL  MGX         4.50    (#   1503:20  Unique         4.01, 4.72 A)
 &rst
  ixpk= 1503, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 93 LYS  HA           38 VAL  MGX         2.80    (#   1506:20  Unique         2.25, 4.12 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  MGX          93 LYS  HB+         4.50    (#   2851:20  Unique         2.11, 4.55 A)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 549, 550, 551, 553, 554, 555,
 igr2=1403,1404,
 &end
#
# 38 VAL  MGX          93 LYS  HB-         2.80    (#    864:20  Unique         2.11, 4.55 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 549, 550, 551, 553, 554, 555,
 igr2=1403,1404,
 &end
#
# 38 VAL  MGX          93 LYS  HN          2.80    (#    253:10  Unique         2.89, 4.33 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  MGX          94 GLU  HN          5.50    (#   1230:10  Unique         5.24, 6.78 A)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 39 LEU  HN           38 VAL  MGY         4.50    (#   1448:20  Unique         4.01, 4.72 A)
 &rst
  ixpk= 1448, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 42 LEU  MDX          38 VAL  MGY         4.50    (#   1474:20  Unique         2.36, 7.92 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 617, 618, 619, 621, 622, 623,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 90 PHE  HE           38 VAL  MGY         2.80    (#   1450:20  Unique         2.59, 5.59 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1353,1357,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 90 PHE  HZ           38 VAL  MGY         3.50    (#   1449:20  Unique         2.73, 4.56 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 38 VAL  MGY          92 PRO  HA          4.50    (#    138:20  Unique         3.37, 5.00 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 549, 550, 551, 553, 554, 555,
 &end
#
# 93 LYS  HA           38 VAL  MGY         5.50    (#   2628:20  Unique         2.25, 4.12 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 93 LYS  HB-          38 VAL  MGY         5.50    (#   1458:20  Unique         2.11, 4.55 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1403,1404,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 93 LYS  HN           38 VAL  MGY         4.50    (#   1447:20  Unique         2.89, 4.33 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 549, 550, 551, 553, 554, 555,
 &end
#
# 39 LEU  HA           39 LEU  HB+         3.50    (#    576:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
# 39 LEU  HA           39 LEU  HB-         3.50    (#    570:20  Unique         2.50, 2.78 A)
 &rst
  ixpk= 570, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
# 39 LEU  HA           39 LEU  HG          5.50    (#   2640:20  Unique         2.86, 3.03 A)
 &rst
  ixpk= 2640, nxpk= 20, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 LEU  HA           39 LEU  HN          2.80    (#    399:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 399, nxpk= 10, iat= 561, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 39 LEU  HA           39 LEU  MDX         2.80    (#   1418:20  Unique         2.09, 3.80 A)
 &rst
  ixpk= 1418, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 42 LEU  HB+          39 LEU  HA          2.80    (#    239:20  Unique         2.12, 2.61 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 612, 613,
 &end
#
# 39 LEU  HA           52 ILE  QD1         4.50    (#   1866:20  Unique         2.78, 3.70 A)
 &rst
  ixpk= 1866, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 783, 784, 785,
 &end
#
# 39 LEU  HA           52 ILE  QG2         5.50    (#   2677:20  Unique         4.09, 5.47 A)
 &rst
  ixpk= 2677, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 776, 777, 778,
 &end
#
# 39 LEU  HB+          39 LEU  HG          4.50    (#   2819:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 563, 564,
 &end
#
# 39 LEU  HB+          39 LEU  HN          2.80    (#    403:10  Unique         2.39, 3.03 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 563, 564,
 &end
#
# 39 LEU  HB+          40 GLU  HN          3.50    (#    902:10  Unique         2.71, 3.27 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
# 39 LEU  HB+          52 ILE  QD1         3.50    (#   1871:20  Unique         2.32, 3.96 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 563, 564,
 igr2= 783, 784, 785,
 &end
#
# 39 LEU  HB+          52 ILE  QG2         3.50    (#   1746:20  Unique         2.20, 4.19 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 563, 564,
 igr2= 776, 777, 778,
 &end
#
# 39 LEU  HB-          39 LEU  HN          2.80    (#    401:10  Unique         2.39, 3.03 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 563, 564,
 &end
#
# 39 LEU  HB-          39 LEU  MDX         3.50    (#   1419:20  Unique         2.40, 3.34 A)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 563, 564,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 39 LEU  HB-          39 LEU  MDY         2.80    (#   1209:20  Unique         2.40, 3.34 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 563, 564,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 40 GLU  HN           39 LEU  HB-         4.50    (#    573:20  Unique         2.71, 3.27 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
# 39 LEU  HB-          52 ILE  QG2         4.50    (#   1743:20  Unique         2.20, 4.19 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 563, 564,
 igr2= 776, 777, 778,
 &end
#
# 39 LEU  HG           39 LEU  HN          2.80    (#    402:10  Unique         2.37, 2.40 A)
 &rst
  ixpk= 402, nxpk= 10, iat= 566, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 39 LEU  HN           39 LEU  MDX         4.50    (#   1417:20  Unique         3.61, 4.44 A)
 &rst
  ixpk= 1417, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 39 LEU  HN           39 LEU  MDY         4.50    (#   1204:20  Unique         3.61, 4.44 A)
 &rst
  ixpk= 1204, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
# 40 GLU  HN           39 LEU  HN          2.80    (#    397:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 397, nxpk= 10, iat= 578, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 4 VAL  HA            4 VAL  HB          3.50    (#    726:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 726, nxpk= 20, iat=  52,  54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 VAL  HA            4 VAL  HN          3.50    (#     60:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  52,  50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 VAL  HA            4 VAL  MGX         2.80    (#   1631:20  Unique         2.47, 3.22 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  HA            4 VAL  MGY         2.80    (#   1579:20  Unique         2.47, 3.22 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  HA            5 LYS  HB+         4.50    (#    834:20  Unique         3.99, 4.69 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  70,  71,
 &end
#
# 4 VAL  HA            5 LYS  HN          2.80    (#     91:10  Unique         2.39, 2.44 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  52,  66, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 4 VAL  HB            4 VAL  HN          2.80    (#     61:10  Unique         2.54, 2.66 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  54,  50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 4 VAL  HB            4 VAL  MGX         2.80    (#   1632:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  HB            5 LYS  HN          3.50    (#     92:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  54,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53 VAL  HA            4 VAL  HB          3.50    (#    725:20  Unique         2.48, 2.75 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 791,  54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 VAL  HB           53 VAL  MGX         3.50    (#   1472:20  Unique         2.18, 3.83 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 4 VAL  MGY           4 VAL  HN          2.80    (#    656:10  Unique         2.30, 4.12 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  56,  57,  58,  60,  61,  62,
 &end
#
# 53 VAL  HA            4 VAL  HN          2.80    (#    658:10  Unique         2.62, 2.75 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 791,  50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 4 VAL  MGX           5 LYS  HN          2.80    (#     94:10  Unique         2.12, 3.86 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  56,  57,  58,  60,  61,  62,
 &end
#
# 53 VAL  MGY           4 VAL  MGX         2.80    (#   1635:20  Unique         3.24, 5.67 A)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 795, 796, 797, 799, 800, 801,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 6 ALA  MB            4 VAL  MGX         3.50    (#   1634:20  Unique         2.85, 6.62 A)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,  94,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 5 LYS  HN            4 VAL  MGY         4.50    (#   1576:20  Unique         2.12, 3.86 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  MGY          51 LYS  HE-         3.50    (#    513:20  Unique         3.41, 5.97 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  56,  57,  58,  60,  61,  62,
 igr2= 761, 762,
 &end
#
# 40 GLU  HA           40 GLU  HB+         2.80    (#   1088:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1088, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 582, 583,
 &end
#
# 40 GLU  HG+          40 GLU  HA          2.80    (#    172:20  Unique         2.42, 2.71 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
# 40 GLU  HG-          40 GLU  HA          2.80    (#    173:20  Unique         2.42, 2.71 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
# 40 GLU  HN           40 GLU  HA          2.80    (#    170:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 578, 580, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40 GLU  HA           43 ASP  HB+         3.50    (#    488:20  Unique         2.73, 3.20 A)
 &rst
  ixpk= 488, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 631, 632,
 &end
#
# 40 GLU  HA           43 ASP  HB-         3.50    (#    482:20  Unique         2.73, 3.20 A)
 &rst
  ixpk= 482, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 631, 632,
 &end
#
# 43 ASP  HN           40 GLU  HA          4.50    (#   2146:20  Unique         3.31, 3.42 A)
 &rst
  ixpk= 2146, nxpk= 20, iat= 627, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 40 GLU  HB+          40 GLU  HN          2.80    (#    421:10  Unique         2.43, 3.05 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 582, 583,
 &end
#
# 40 GLU  HB+          41 GLU  HN          2.80    (#    274:10  Unique         2.57, 3.10 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 582, 583,
 &end
#
# 40 GLU  HG+          40 GLU  HN          2.80    (#    419:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
# 40 GLU  HG-          40 GLU  HN          2.80    (#    420:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
# 41 GLU  HA           40 GLU  HN          5.50    (#    906:10  Unique         5.37, 5.40 A)
 &rst
  ixpk= 906, nxpk= 10, iat= 595, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLU  HG+          40 GLU  HN          5.50    (#    905:10  Unique         4.82, 5.69 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 600, 601,
 &end
#
# 41 GLU  HN           40 GLU  HN          2.80    (#    415:10  Unique         2.75, 2.80 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 593, 578, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42 LEU  HN           40 GLU  HN          4.50    (#    416:10  Unique         4.06, 4.11 A)
 &rst
  ixpk= 416, nxpk= 10, iat= 608, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 40 GLU  HN           44 GLN  HE2+        5.50    (#    556:10  Unique         5.17, 5.68 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 651, 652,
 &end
#
# 41 GLU  HA           41 GLU  HB+         2.80    (#   1009:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1009, nxpk= 20, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 597, 598,
 &end
#
# 41 GLU  HA           41 GLU  HB-         2.80    (#   1004:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1004, nxpk= 20, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 597, 598,
 &end
#
# 41 GLU  HG+          41 GLU  HA          3.50    (#    166:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 600, 601,
 &end
#
# 41 GLU  HA           41 GLU  HN          2.80    (#    270:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 270, nxpk= 10, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 41 GLU  HA           42 LEU  HN          3.50    (#    925:10  Unique         3.56, 3.56 A)
 &rst
  ixpk= 925, nxpk= 10, iat= 595, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 41 GLU  HA           43 ASP  HN          4.50    (#    934:10  Unique         4.39, 4.49 A)
 &rst
  ixpk= 934, nxpk= 10, iat= 595, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 45 GLU  HN           41 GLU  HA          5.50    (#   2150:20  Unique         4.25, 4.54 A)
 &rst
  ixpk= 2150, nxpk= 20, iat= 656, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLU  HG+          41 GLU  HB+         3.50    (#   1010:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 600, 601,
 igr2= 597, 598,
 &end
#
# 41 GLU  HB+          41 GLU  HN          2.80    (#    920:10  Unique         2.22, 2.98 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 597, 598,
 &end
#
# 41 GLU  HB+          42 LEU  HN          2.80    (#    285:10  Unique         2.61, 3.15 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 597, 598,
 &end
#
# 93 LYS  HD+          41 GLU  HB+         3.50    (#   1011:20  Unique         2.26, 3.86 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1409,1410,
 igr2= 597, 598,
 &end
#
# 93 LYS  HG+          41 GLU  HB+         4.50    (#   2812:20  Unique         3.03, 4.53 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1406,1407,
 igr2= 597, 598,
 &end
#
# 41 GLU  HG+          41 GLU  HB-         2.80    (#   1006:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 600, 601,
 igr2= 597, 598,
 &end
#
# 41 GLU  HB-          41 GLU  HN          2.80    (#    273:10  Unique         2.22, 2.98 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 597, 598,
 &end
#
# 42 LEU  HN           41 GLU  HB-         3.50    (#   1002:20  Unique         2.61, 3.15 A)
 &rst
  ixpk= 1002, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 597, 598,
 &end
#
# 93 LYS  HD+          41 GLU  HB-         4.50    (#   2814:20  Unique         2.26, 3.86 A)
 &rst
  ixpk= 2814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1409,1410,
 igr2= 597, 598,
 &end
#
# 41 GLU  HG+          41 GLU  HN          2.80    (#    272:10  Unique         2.42, 3.14 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 600, 601,
 &end
#
# 42 LEU  HN           41 GLU  HG+         5.50    (#   2319:20  Unique         4.55, 4.86 A)
 &rst
  ixpk= 2319, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 600, 601,
 &end
#
# 41 GLU  HN           41 GLU  HG-         4.50    (#    667:20  Unique         2.42, 3.14 A)
 &rst
  ixpk= 667, nxpk= 20, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 600, 601,
 &end
#
# 42 LEU  HN           41 GLU  HG-         5.50    (#   2318:20  Unique         4.55, 4.86 A)
 &rst
  ixpk= 2318, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 600, 601,
 &end
#
# 42 LEU  HN           41 GLU  HN          2.80    (#    267:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 267, nxpk= 10, iat= 608, 593, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42 LEU  HA           42 LEU  HB+         2.80    (#    516:20  Unique         2.47, 2.81 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 612, 613,
 &end
#
# 42 LEU  HA           42 LEU  HG          4.50    (#   1160:20  Unique         2.68, 3.17 A)
 &rst
  ixpk= 1160, nxpk= 20, iat= 610, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 LEU  HN           42 LEU  HA          3.50    (#    226:20  Unique         2.81, 2.82 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 608, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 42 LEU  HA           45 GLU  HB+         3.50    (#    975:20  Unique         2.32, 3.20 A)
 &rst
  ixpk= 975, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 660, 661,
 &end
#
# 42 LEU  HA           45 GLU  HN          3.50    (#    941:10  Unique         3.13, 3.30 A)
 &rst
  ixpk= 941, nxpk= 10, iat= 610, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HG+          42 LEU  HA          5.50    (#   2163:20  Unique         3.40, 4.29 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
# 46 MET  HG-          42 LEU  HA          5.50    (#   2162:20  Unique         3.40, 4.29 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
# 42 LEU  HA           46 MET  HN          4.50    (#    945:10  Unique         3.43, 3.90 A)
 &rst
  ixpk= 945, nxpk= 10, iat= 610, 671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 LEU  HB+          42 LEU  HN          2.80    (#    286:10  Unique         2.10, 2.57 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 612, 613,
 &end
#
# 42 LEU  HN           42 LEU  HG          4.50    (#   1159:20  Unique         3.70, 4.34 A)
 &rst
  ixpk= 1159, nxpk= 20, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 LEU  HN           42 LEU  MDX         5.50    (#   2279:20  Unique         2.61, 5.00 A)
 &rst
  ixpk= 2279, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 46 MET  HG+          42 LEU  MDX         4.50    (#   1267:20  Unique         2.28, 4.50 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 678, 679,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 46 MET  HG-          42 LEU  MDX         4.50    (#   1268:20  Unique         2.28, 4.50 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 678, 679,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 42 LEU  MDX          93 LYS  HA          4.50    (#    129:20  Unique         2.57, 5.75 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 617, 618, 619, 621, 622, 623,
 &end
#
# 96 LEU  HB+          42 LEU  MDX         2.80    (#   1270:20  Unique         2.15, 3.86 A)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1450,1451,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 97 GLN  HA           42 LEU  MDX         4.50    (#   1266:20  Unique         2.16, 4.06 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 97 GLN  HE2+         42 LEU  MDX         5.50    (#   2469:20  Unique         2.24, 6.09 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1477,1478,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 97 GLN  HG+          42 LEU  MDX         4.50    (#   1256:20  Unique         2.26, 4.78 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1472,1473,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 97 GLN  HN           42 LEU  MDX         5.50    (#   2280:20  Unique         2.88, 4.86 A)
 &rst
  ixpk= 2280, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 46 MET  HG-          42 LEU  MDY         4.50    (#   2833:20  Unique         2.28, 4.50 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 678, 679,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 97 GLN  HG+          42 LEU  MDY         4.50    (#   1271:20  Unique         2.26, 4.78 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1472,1473,
 igr2= 617, 618, 619, 621, 622, 623,
 &end
#
# 43 ASP  HB+          43 ASP  HA          2.80    (#    247:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 631, 632,
 &end
#
# 43 ASP  HA           43 ASP  HB-         3.50    (#    481:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 481, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 631, 632,
 &end
#
# 43 ASP  HA           43 ASP  HN          2.80    (#    331:10  Unique         2.81, 2.83 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 43 ASP  HA           44 GLN  HN          3.50    (#    877:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 629, 639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 47 GLY  HN           43 ASP  HA          4.50    (#    245:20  Unique         3.11, 3.52 A)
 &rst
  ixpk= 245, nxpk= 20, iat= 688, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 43 ASP  HA           52 ILE  QD1         3.50    (#   1865:20  Unique         2.97, 3.94 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 783, 784, 785,
 &end
#
# 43 ASP  HB+          43 ASP  HN          2.80    (#    334:10  Unique         2.41, 2.56 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 631, 632,
 &end
#
# 44 GLN  HN           43 ASP  HB+         3.50    (#    486:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 631, 632,
 &end
#
# 43 ASP  HB+          52 ILE  QD1         3.50    (#   1867:20  Unique         2.23, 3.92 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 631, 632,
 igr2= 783, 784, 785,
 &end
#
# 43 ASP  HB-          43 ASP  HN          2.80    (#    333:10  Unique         2.41, 2.56 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 631, 632,
 &end
#
# 43 ASP  HB-          44 GLN  HG-         2.80    (#    797:20  Unique         2.93, 4.60 A)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 631, 632,
 igr2= 646, 647,
 &end
#
# 43 ASP  HB-          44 GLN  HN          2.80    (#    426:10  Unique         2.40, 3.15 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 631, 632,
 &end
#
# 43 ASP  HB-          45 GLU  HN          5.50    (#    940:10  Unique         4.72, 5.17 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 631, 632,
 &end
#
# 43 ASP  HN           44 GLN  HN          2.80    (#    423:10  Unique         2.67, 2.72 A)
 &rst
  ixpk= 423, nxpk= 10, iat= 627, 639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45 GLU  HN           43 ASP  HN          5.50    (#    935:10  Unique         3.96, 4.01 A)
 &rst
  ixpk= 935, nxpk= 10, iat= 656, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ASP  HN           52 ILE  QD1         4.50    (#   1864:20  Unique         2.84, 3.49 A)
 &rst
  ixpk= 1864, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 783, 784, 785,
 &end
#
# 44 GLN  HA           44 GLN  HB+         2.80    (#   1104:20  Unique         2.53, 2.78 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 643, 644,
 &end
#
# 44 GLN  HA           44 GLN  HG+         3.50    (#    809:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 809, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 646, 647,
 &end
#
# 44 GLN  HA           44 GLN  HG-         3.50    (#    812:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 812, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 646, 647,
 &end
#
# 44 GLN  HA           44 GLN  HN          2.80    (#    425:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 641, 639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 44 GLN  HA           45 GLU  HN          3.50    (#    942:10  Unique         3.41, 3.44 A)
 &rst
  ixpk= 942, nxpk= 10, iat= 641, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 44 GLN  HA           46 MET  HN          5.50    (#    946:10  Unique         4.55, 4.66 A)
 &rst
  ixpk= 946, nxpk= 10, iat= 641, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 GLN  HB+          44 GLN  HG+         2.80    (#    810:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 643, 644,
 igr2= 646, 647,
 &end
#
# 44 GLN  HG-          44 GLN  HB+         2.80    (#   1105:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 646, 647,
 igr2= 643, 644,
 &end
#
# 44 GLN  HN           44 GLN  HB+         2.80    (#   1103:20  Unique         2.35, 2.97 A)
 &rst
  ixpk= 1103, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 643, 644,
 &end
#
# 45 GLU  HN           44 GLN  HB+         3.50    (#   1102:20  Unique         3.20, 3.80 A)
 &rst
  ixpk= 1102, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 643, 644,
 &end
#
# 44 GLN  HB-          44 GLN  HN          2.80    (#    428:10  Unique         2.35, 2.97 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 643, 644,
 &end
#
# 44 GLN  HE2+         44 GLN  HN          4.50    (#    424:10  Unique         3.07, 4.01 A)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 651, 652,
 &end
#
# 44 GLN  HG+          44 GLN  HN          2.80    (#    427:10  Unique         2.35, 3.03 A)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 646, 647,
 &end
#
# 44 GLN  HG-          44 GLN  HN          2.80    (#    879:10  Unique         2.35, 3.03 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 646, 647,
 &end
#
# 45 GLU  HB+          44 GLN  HN          4.50    (#    880:10  Unique         4.64, 5.40 A)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 660, 661,
 &end
#
# 44 GLN  HN           45 GLU  HN          2.80    (#    431:10  Unique         2.67, 2.72 A)
 &rst
  ixpk= 431, nxpk= 10, iat= 639, 656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45 GLU  HA           45 GLU  HB+         2.80    (#    974:20  Unique         2.57, 2.81 A)
 &rst
  ixpk= 974, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 660, 661,
 &end
#
# 45 GLU  HA           45 GLU  HG+         3.50    (#   2598:20  Unique         2.36, 3.16 A)
 &rst
  ixpk= 2598, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 663, 664,
 &end
#
# 45 GLU  HA           45 GLU  HG-         3.50    (#    692:20  Unique         2.36, 3.16 A)
 &rst
  ixpk= 692, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 663, 664,
 &end
#
# 45 GLU  HA           45 GLU  HN          2.90    (#    432:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 432, nxpk= 10, iat= 658, 656, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 46 MET  HN           45 GLU  HA          4.50    (#    221:20  Unique         3.53, 3.56 A)
 &rst
  ixpk= 221, nxpk= 20, iat= 671, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 45 GLU  HG+          45 GLU  HB+         2.80    (#    981:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 663, 664,
 igr2= 660, 661,
 &end
#
# 45 GLU  HB+          45 GLU  HN          2.80    (#    435:10  Unique         2.26, 2.93 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 660, 661,
 &end
#
# 45 GLU  HB+          46 MET  HN          2.80    (#    504:10  Unique         2.67, 3.23 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 660, 661,
 &end
#
# 45 GLU  HG+          45 GLU  HN          2.80    (#    433:10  Unique         2.82, 3.35 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 663, 664,
 &end
#
# 45 GLU  HN           45 GLU  HG-         4.50    (#    691:20  Unique         2.82, 3.35 A)
 &rst
  ixpk= 691, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 663, 664,
 &end
#
# 45 GLU  HN           46 MET  HN          2.80    (#    500:10  Unique         2.18, 2.23 A)
 &rst
  ixpk= 500, nxpk= 10, iat= 656, 671, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45 GLU  HN           47 GLY  HN          3.50    (#    956:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 956, nxpk= 10, iat= 656, 688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HA           46 MET  HB+         3.50    (#    819:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 675, 676,
 &end
#
# 46 MET  HA           46 MET  HB-         3.50    (#    817:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 675, 676,
 &end
#
# 46 MET  HA           46 MET  HN          3.50    (#    505:10  Unique         2.99, 2.99 A)
 &rst
  ixpk= 505, nxpk= 10, iat= 673, 671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HA           46 MET  ME          4.50    (#   1752:20  Unique         2.15, 4.70 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 682, 683, 684,
 &end
#
# 46 MET  HA           47 GLY  HN          3.50    (#    949:10  Unique         3.23, 3.32 A)
 &rst
  ixpk= 949, nxpk= 10, iat= 673, 688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HA           48 ASP  HN          3.50    (#    957:10  Unique         3.22, 3.40 A)
 &rst
  ixpk= 957, nxpk= 10, iat= 673, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HA           49 LYS  HN          5.50    (#    983:10  Unique         4.08, 4.33 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 673, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 MET  HN           46 MET  HB+         3.50    (#    818:20  Unique         2.39, 3.12 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 675, 676,
 &end
#
# 46 MET  HB-          46 MET  HN          2.80    (#    503:10  Unique         2.39, 3.12 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 675, 676,
 &end
#
# 46 MET  HB-          46 MET  ME          2.80    (#   1768:20  Unique         2.27, 5.03 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 675, 676,
 igr2= 682, 683, 684,
 &end
#
# 46 MET  HB-          47 GLY  HN          4.50    (#    952:10  Unique         3.50, 3.99 A)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 675, 676,
 &end
#
# 46 MET  HG+          46 MET  HN          2.80    (#    502:10  Unique         2.63, 3.43 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 678, 679,
 &end
#
# 46 MET  HG-          46 MET  HN          2.80    (#    948:10  Unique         2.63, 3.43 A)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 678, 679,
 &end
#
# 46 MET  HG-          46 MET  ME          2.80    (#   1765:20  Unique         2.47, 3.30 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 678, 679,
 igr2= 682, 683, 684,
 &end
#
# 47 GLY  HA+          46 MET  HN          5.50    (#    947:10  Unique         4.20, 4.40 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 690, 691,
 &end
#
# 47 GLY  HN           46 MET  HN          2.80    (#    499:10  Unique         2.13, 2.21 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 688, 671, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 LYS  HB-          46 MET  ME          3.50    (#   1769:20  Unique         4.17, 9.42 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 711, 712,
 igr2= 682, 683, 684,
 &end
#
# 50 LEU  HB+          46 MET  ME          4.50    (#   1758:20  Unique         4.24, 7.69 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HA           46 MET  ME          4.50    (#   1754:20  Unique         2.58, 4.16 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HE2-         46 MET  ME          5.50    (#   2383:20  Unique         3.54, 5.73 A)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1477,1478,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HG+          46 MET  ME          3.50    (#   1766:20  Unique         2.37, 4.32 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1472,1473,
 igr2= 682, 683, 684,
 &end
#
# 97 GLN  HG-          46 MET  ME          2.80    (#   1767:20  Unique         2.37, 4.32 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1472,1473,
 igr2= 682, 683, 684,
 &end
#
# 47 GLY  HA+          47 GLY  HN          2.80    (#    604:10  Unique         2.22, 2.50 A)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 690, 691,
 &end
#
# 48 ASP  HA           47 GLY  HA+         5.50    (#   2579:20  Unique         4.56, 4.74 A)
 &rst
  ixpk= 2579, nxpk= 20, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 690, 691,
 &end
#
# 47 GLY  HA+          48 ASP  HN          2.90    (#    364:10  Unique         3.09, 3.28 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr1= 690, 691,
 &end
#
# 47 GLY  HA+          49 LYS  HN          5.50    (#    981:10  Unique         3.54, 4.12 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 690, 691,
 &end
#
# 50 LEU  HB-          47 GLY  HA+         5.50    (#   2767:20  Unique         2.15, 3.90 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 734,
 igr2= 690, 691,
 &end
#
# 50 LEU  HN           47 GLY  HA+         5.50    (#   2343:20  Unique         2.61, 3.59 A)
 &rst
  ixpk= 2343, nxpk= 20, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 690, 691,
 &end
#
# 47 GLY  HA-          47 GLY  HN          2.80    (#    603:10  Unique         2.22, 2.50 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 690, 691,
 &end
#
# 48 ASP  HA           47 GLY  HA-         5.50    (#   2578:20  Unique         4.56, 4.74 A)
 &rst
  ixpk= 2578, nxpk= 20, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 690, 691,
 &end
#
# 47 GLY  HA-          48 ASP  HN          3.50    (#    363:10  Unique         3.09, 3.28 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 690, 691,
 &end
#
# 47 GLY  HA-          49 LYS  HN          5.50    (#    980:10  Unique         3.54, 4.12 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 690, 691,
 &end
#
# 50 LEU  HB-          47 GLY  HA-         5.50    (#   2768:20  Unique         2.15, 3.90 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 734,
 igr2= 690, 691,
 &end
#
# 47 GLY  HA-          50 LEU  HN          4.50    (#    995:10  Unique         2.61, 3.59 A)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 690, 691,
 &end
#
# 47 GLY  HN           48 ASP  HN          3.50    (#    360:10  Unique         2.95, 3.02 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 LEU  HB-          47 GLY  HN          5.50    (#    953:10  Unique         3.63, 4.33 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 733, 734,
 &end
#
# 48 ASP  HA           48 ASP  HB+         2.80    (#    601:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 601, nxpk= 20, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 699, 700,
 &end
#
# 48 ASP  HA           48 ASP  HN          2.80    (#    362:10  Unique         2.84, 2.87 A)
 &rst
  ixpk= 362, nxpk= 10, iat= 697, 695, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 48 ASP  HA           49 LYS  HN          4.50    (#    982:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 982, nxpk= 10, iat= 697, 707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LEU  HN           48 ASP  HA          5.50    (#   2354:20  Unique         4.81, 4.95 A)
 &rst
  ixpk= 2354, nxpk= 20, iat= 729, 697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ASP  HB+          48 ASP  HN          2.80    (#    365:10  Unique         2.39, 2.52 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 699, 700,
 &end
#
# 48 ASP  HB+          49 LYS  HN          4.50    (#    984:10  Unique         2.56, 3.41 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 699, 700,
 &end
#
# 49 LYS  HA           48 ASP  HN          5.50    (#    958:10  Unique         5.04, 5.22 A)
 &rst
  ixpk= 958, nxpk= 10, iat= 709, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS  HB+          48 ASP  HN          5.50    (#    960:10  Unique         4.72, 5.66 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 711, 712,
 &end
#
# 49 LYS  HG+          48 ASP  HN          4.50    (#    959:10  Unique         4.59, 5.32 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 714, 715,
 &end
#
# 48 ASP  HN           49 LYS  HN          2.80    (#    366:10  Unique         2.45, 2.53 A)
 &rst
  ixpk= 366, nxpk= 10, iat= 695, 707, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 LEU  HN           48 ASP  HN          3.50    (#    359:10  Unique         3.21, 3.54 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 729, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 LYS  HB+          49 LYS  HA          2.80    (#    268:20  Unique         2.35, 2.75 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 711, 712,
 &end
#
# 49 LYS  HB-          49 LYS  HA          2.80    (#    267:20  Unique         2.35, 2.75 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 711, 712,
 &end
#
# 49 LYS  HA           49 LYS  HE+         5.50    (#   2592:20  Unique         1.88, 4.31 A)
 &rst
  ixpk= 2592, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 720, 721,
 &end
#
# 49 LYS  HA           49 LYS  HG+         3.50    (#   1276:20  Unique         2.70, 3.32 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 714, 715,
 &end
#
# 49 LYS  HA           49 LYS  HN          3.50    (#    368:10  Unique         2.97, 2.99 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 709, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 LYS  HA           50 LEU  HN          3.50    (#    994:10  Unique         3.43, 3.53 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 709, 729, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 LYS  HG+          49 LYS  HB+         2.80    (#    793:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 714, 715,
 igr2= 711, 712,
 &end
#
# 49 LYS  HB+          49 LYS  HN          2.80    (#    369:10  Unique         2.46, 3.23 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 711, 712,
 &end
#
# 49 LYS  HB-          49 LYS  HG+         2.80    (#   1278:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 711, 712,
 igr2= 714, 715,
 &end
#
# 49 LYS  HB-          49 LYS  HN          3.50    (#    986:10  Unique         2.46, 3.23 A)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 711, 712,
 &end
#
# 49 LYS  HB-          50 LEU  HN          4.50    (#    992:10  Unique         2.68, 3.46 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 711, 712,
 &end
#
# 49 LYS  HE+          49 LYS  HD+         2.80    (#   1025:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 720, 721,
 igr2= 717, 718,
 &end
#
# 49 LYS  HD+          49 LYS  HG+         2.80    (#   1279:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 717, 718,
 igr2= 714, 715,
 &end
#
# 49 LYS  HN           49 LYS  HD+         5.50    (#   2286:20  Unique         4.21, 5.00 A)
 &rst
  ixpk= 2286, nxpk= 20, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 717, 718,
 &end
#
# 49 LYS  HE+          49 LYS  HG+         3.50    (#   1277:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 720, 721,
 igr2= 714, 715,
 &end
#
# 49 LYS  HG+          49 LYS  HN          2.80    (#    370:10  Unique         2.80, 3.45 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 714, 715,
 &end
#
# 49 LYS  HG+          50 LEU  HN          4.50    (#    991:10  Unique         4.20, 4.69 A)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 714, 715,
 &end
#
# 50 LEU  HB+          49 LYS  HN          5.50    (#    987:10  Unique         3.87, 4.07 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 733, 734,
 &end
#
# 50 LEU  HN           49 LYS  HN          2.80    (#    367:10  Unique         1.79, 1.85 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 729, 707, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 5 LYS  HA            5 LYS  HE+         2.80    (#    499:20  Unique         2.86, 3.34 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  79,  80,
 &end
#
# 5 LYS  HB+           5 LYS  HG-         2.80    (#   1254:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  70,  71,
 igr2=  73,  74,
 &end
#
# 5 LYS  HB+           5 LYS  HN          2.80    (#     93:10  Unique         2.50, 2.93 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  70,  71,
 &end
#
# 5 LYS  HB+          54 LYS  HE+         5.50    (#    554:20  Unique         2.98, 7.39 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  70,  71,
 igr2= 818, 819,
 &end
#
# 5 LYS  HB+           6 ALA  HN          3.50    (#    666:10  Unique         3.15, 4.03 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  70,  71,
 &end
#
# 5 LYS  HN            5 LYS  HG+         5.50    (#   2278:20  Unique         3.12, 4.59 A)
 &rst
  ixpk= 2278, nxpk= 20, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  73,  74,
 &end
#
# 6 ALA  HN            5 LYS  HN          5.50    (#    663:10  Unique         4.20, 4.32 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  88,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50 LEU  HA           50 LEU  HB+         3.50    (#    400:20  Unique         2.46, 2.76 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 733, 734,
 &end
#
# 50 LEU  HA           50 LEU  HB-         4.50    (#    394:20  Unique         2.46, 2.76 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 733, 734,
 &end
#
# 50 LEU  HG           50 LEU  HA          5.50    (#   2781:20  Unique         3.13, 3.17 A)
 &rst
  ixpk= 2781, nxpk= 20, iat= 736, 731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50 LEU  HA           50 LEU  HN          2.90    (#    318:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 318, nxpk= 10, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 50 LEU  HA           50 LEU  MDX         2.80    (#   1358:20  Unique         2.20, 3.85 A)
 &rst
  ixpk= 1358, nxpk= 20, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 50 LEU  HA           51 LYS  HN          2.80    (#    107:10  Unique         2.12, 2.19 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 LEU  HG           50 LEU  HB+         2.80    (#    403:20  Unique         2.47, 2.76 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 733, 734,
 &end
#
# 50 LEU  HB+          50 LEU  HN          2.80    (#    320:10  Unique         2.36, 2.48 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 733, 734,
 &end
#
# 50 LEU  HB+          51 LYS  HN          3.50    (#   1006:10  Unique         3.82, 3.98 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 733, 734,
 &end
#
# 50 LEU  HG           50 LEU  HB-         2.80    (#    396:20  Unique         2.47, 2.76 A)
 &rst
  ixpk= 396, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 733, 734,
 &end
#
# 50 LEU  HB-          50 LEU  HN          2.80    (#    319:10  Unique         2.36, 2.48 A)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 733, 734,
 &end
#
# 50 LEU  HG           50 LEU  HN          4.50    (#    990:10  Unique         4.39, 4.47 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 736, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LEU  HG           50 LEU  MDX         2.80    (#   1360:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1360, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 50 LEU  HG           51 LYS  HN          3.50    (#   1007:10  Unique         2.52, 2.66 A)
 &rst
  ixpk= 1007, nxpk= 10, iat= 736, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 LEU  HG           52 ILE  HG1+        5.50    (#   2829:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 2829, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 780, 781,
 &end
#
# 50 LEU  HG           52 ILE  QD1         4.50    (#   1870:20  Unique         2.73, 4.31 A)
 &rst
  ixpk= 1870, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 783, 784, 785,
 &end
#
# 51 LYS  HN           50 LEU  MDX         3.50    (#   1356:20  Unique         2.02, 4.06 A)
 &rst
  ixpk= 1356, nxpk= 20, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 738, 739, 740, 742, 743, 744,
 &end
#
# 51 LYS  HA           51 LYS  HB+         2.80    (#    745:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 745, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 752, 753,
 &end
#
# 51 LYS  HA           51 LYS  HG+         3.50    (#   1262:20  Unique         2.68, 2.83 A)
 &rst
  ixpk= 1262, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 755, 756,
 &end
#
# 51 LYS  HA           51 LYS  HN          3.50    (#    106:10  Unique         2.95, 2.96 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 51 LYS  HA           52 ILE  HN          2.80    (#     66:10  Unique         2.35, 2.41 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 750, 770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51 LYS  HE+          51 LYS  HB+         5.50    (#   2700:20  Unique         2.30, 3.23 A)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 761, 762,
 igr2= 752, 753,
 &end
#
# 51 LYS  HG-          51 LYS  HB+         2.80    (#    746:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 755, 756,
 igr2= 752, 753,
 &end
#
# 51 LYS  HB+          51 LYS  HN          2.80    (#    108:10  Unique         2.66, 2.97 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 752, 753,
 &end
#
# 51 LYS  HE+          51 LYS  HD+         2.80    (#   1016:20  Unique         2.25, 2.76 A)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 761, 762,
 igr2= 758, 759,
 &end
#
# 51 LYS  HD+          51 LYS  HE-         2.80    (#    512:20  Unique         2.25, 2.76 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 758, 759,
 igr2= 761, 762,
 &end
#
# 51 LYS  HD+          53 VAL  MGY         2.80    (#   1535:20  Unique         2.63, 4.63 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 758, 759,
 igr2= 795, 796, 797, 799, 800, 801,
 &end
#
# 51 LYS  HE-          51 LYS  HG+         5.50    (#   2713:20  Unique         2.43, 3.38 A)
 &rst
  ixpk= 2713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 761, 762,
 igr2= 755, 756,
 &end
#
# 51 LYS  HG+          52 ILE  HN          2.80    (#    773:10  Unique         2.05, 2.78 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 755, 756,
 &end
#
# 52 ILE  HN           51 LYS  HG-         3.50    (#   1264:20  Unique         2.05, 2.78 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 755, 756,
 &end
#
# 52 ILE  HA           52 ILE  HG1+        4.50    (#   2519:20  Unique         2.43, 2.83 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 780, 781,
 &end
#
# 52 ILE  HG1-         52 ILE  HA          3.50    (#   1951:20  Unique         2.43, 2.83 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 780, 781,
 &end
#
# 52 ILE  HA           52 ILE  QD1         5.50    (#   1872:20  Unique         3.80, 4.64 A)
 &rst
  ixpk= 1872, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 783, 784, 785,
 &end
#
# 52 ILE  HB           52 ILE  HN          2.80    (#     68:10  Unique         2.63, 2.67 A)
 &rst
  ixpk= 68, nxpk= 10, iat= 774, 770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 52 ILE  HB           52 ILE  QG2         2.80    (#   1745:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1745, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 776, 777, 778,
 &end
#
# 52 ILE  HG1-         52 ILE  QD1         2.80    (#   1869:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 780, 781,
 igr2= 783, 784, 785,
 &end
#
# 52 ILE  HN           52 ILE  QD1         4.50    (#   1863:20  Unique         2.70, 5.06 A)
 &rst
  ixpk= 1863, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 783, 784, 785,
 &end
#
# 53 VAL  HB           53 VAL  HA          3.50    (#   1961:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1961, nxpk= 20, iat= 793, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53 VAL  HB           53 VAL  HN          2.80    (#    129:10  Unique         2.54, 2.65 A)
 &rst
  ixpk= 129, nxpk= 10, iat= 793, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 54 LYS  HA           54 LYS  HB+         3.50    (#    735:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 809, 810,
 &end
#
# 54 LYS  HB-          54 LYS  HA          3.50    (#   1977:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 809, 810,
 &end
#
# 54 LYS  HA           54 LYS  HD+         5.50    (#   2523:20  Unique         2.35, 4.61 A)
 &rst
  ixpk= 2523, nxpk= 20, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 815, 816,
 &end
#
# 54 LYS  HA           54 LYS  HD-         5.50    (#   2524:20  Unique         2.35, 4.61 A)
 &rst
  ixpk= 2524, nxpk= 20, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 815, 816,
 &end
#
# 54 LYS  HG+          54 LYS  HA          4.50    (#   2749:20  Unique         2.30, 2.84 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 812, 813,
 &end
#
# 54 LYS  HG-          54 LYS  HA          4.50    (#   1980:20  Unique         2.30, 2.84 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 812, 813,
 &end
#
# 55 ILE  HN           54 LYS  HA          2.80    (#   1973:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 1973, nxpk= 20, iat= 827, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 54 LYS  HG+          54 LYS  HB+         3.50    (#    738:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 812, 813,
 igr2= 809, 810,
 &end
#
# 54 LYS  HG-          54 LYS  HB+         3.50    (#    739:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 812, 813,
 igr2= 809, 810,
 &end
#
# 54 LYS  HN           54 LYS  HB+         3.50    (#    740:20  Unique         2.21, 3.05 A)
 &rst
  ixpk= 740, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 809, 810,
 &end
#
# 54 LYS  HB+          55 ILE  HN          4.50    (#   1027:10  Unique         3.01, 3.66 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 809, 810,
 &end
#
# 54 LYS  HB-          54 LYS  HD-         3.50    (#   1034:20  Unique         2.35, 3.24 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 809, 810,
 igr2= 815, 816,
 &end
#
# 54 LYS  HB-          54 LYS  HE+         2.80    (#    555:20  Unique         2.08, 3.45 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 809, 810,
 igr2= 818, 819,
 &end
#
# 54 LYS  HB-          54 LYS  HG+         2.80    (#   1281:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 809, 810,
 igr2= 812, 813,
 &end
#
# 54 LYS  HG-          54 LYS  HB-         3.50    (#    729:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 812, 813,
 igr2= 809, 810,
 &end
#
# 54 LYS  HB-          54 LYS  HN          2.80    (#   1012:10  Unique         2.21, 3.05 A)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 809, 810,
 &end
#
# 54 LYS  HB-          55 ILE  HN          4.50    (#   1028:10  Unique         3.01, 3.66 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 809, 810,
 &end
#
# 54 LYS  HD+          54 LYS  HE+         2.80    (#    557:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 815, 816,
 igr2= 818, 819,
 &end
#
# 54 LYS  HD-          54 LYS  HE+         2.80    (#    558:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 815, 816,
 igr2= 818, 819,
 &end
#
# 54 LYS  HG+          54 LYS  HN          3.50    (#   1014:10  Unique         2.08, 3.11 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 812, 813,
 &end
#
# 54 LYS  HG-          54 LYS  HN          2.80    (#   1015:10  Unique         2.08, 3.11 A)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 812, 813,
 &end
#
# 55 ILE  HA           55 ILE  HB          3.50    (#    546:20  Unique         2.31, 2.34 A)
 &rst
  ixpk= 546, nxpk= 20, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 ILE  HA           55 ILE  HG1+        4.50    (#   2521:20  Unique         2.39, 2.89 A)
 &rst
  ixpk= 2521, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 837, 838,
 &end
#
# 55 ILE  HG1-         55 ILE  HA          5.50    (#    186:20  Unique         2.39, 2.89 A)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 837, 838,
 &end
#
# 55 ILE  HA           55 ILE  HN          3.50    (#   1031:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1031, nxpk= 10, iat= 829, 827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 ILE  HA           55 ILE  QG2         4.50    (#   1829:20  Unique         3.73, 3.96 A)
 &rst
  ixpk= 1829, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 833, 834, 835,
 &end
#
# 55 ILE  HA           56 ASP  HN          2.80    (#     63:10  Unique         2.12, 2.15 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 829, 846, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 ILE  HB           55 ILE  HG1+        3.50    (#   1076:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 837, 838,
 &end
#
# 55 ILE  HG1-         55 ILE  HB          3.50    (#    547:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 837, 838,
 &end
#
# 55 ILE  HN           55 ILE  HB          4.50    (#   2210:20  Unique         3.39, 3.44 A)
 &rst
  ixpk= 2210, nxpk= 20, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 55 ILE  QD1          55 ILE  HB          3.50    (#    549:20  Unique         2.46, 3.07 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 840, 841, 842,
 &end
#
# 55 ILE  HB           55 ILE  QG2         2.80    (#   1836:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1836, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 833, 834, 835,
 &end
#
# 56 ASP  HN           55 ILE  HB          5.50    (#   2300:20  Unique         4.02, 4.09 A)
 &rst
  ixpk= 2300, nxpk= 20, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE  HG1+         55 ILE  QD1         2.80    (#   1859:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 837, 838,
 igr2= 840, 841, 842,
 &end
#
# 55 ILE  HG1+         55 ILE  QG2         3.50    (#   1831:20  Unique         2.57, 3.54 A)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 837, 838,
 igr2= 833, 834, 835,
 &end
#
# 55 ILE  HG1+         56 ASP  HN          5.50    (#   1035:10  Unique         2.56, 2.99 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 837, 838,
 &end
#
# 60 ASN  HB+          55 ILE  HG1+        4.50    (#   2695:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 905, 906,
 igr2= 837, 838,
 &end
#
# 55 ILE  HG1+         60 ASN  HB-         5.50    (#   2876:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 905, 906,
 &end
#
# 55 ILE  HG1+         60 ASN  HD2+        5.50    (#   1306:10  Unique         2.78, 3.33 A)
 &rst
  ixpk= 1306, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 910, 911,
 &end
#
# 55 ILE  HG1+         60 ASN  HD2-        5.50    (#   1307:10  Unique         2.78, 3.33 A)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 910, 911,
 &end
#
# 55 ILE  HG1-         55 ILE  QD1         2.80    (#   1857:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 837, 838,
 igr2= 840, 841, 842,
 &end
#
# 55 ILE  HG1-         55 ILE  QG2         4.50    (#   1835:20  Unique         2.57, 3.54 A)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 837, 838,
 igr2= 833, 834, 835,
 &end
#
# 55 ILE  HG1-         56 ASP  HN          3.50    (#   1033:10  Unique         2.56, 2.99 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 837, 838,
 &end
#
# 55 ILE  HG1-         60 ASN  HB+         5.50    (#   2880:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 905, 906,
 &end
#
# 55 ILE  HG1-         60 ASN  HB-         5.50    (#   2879:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 905, 906,
 &end
#
# 55 ILE  HG1-         60 ASN  HD2+        5.50    (#   1302:10  Unique         2.78, 3.33 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 910, 911,
 &end
#
# 55 ILE  HG1-         60 ASN  HD2-        5.50    (#   1303:10  Unique         2.78, 3.33 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 837, 838,
 igr2= 910, 911,
 &end
#
# 55 ILE  QG2          55 ILE  HN          3.00    (#    198:10  Unique         2.50, 3.21 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 833, 834, 835,
 &end
#
# 55 ILE  QG2          55 ILE  QD1         2.80    (#   1860:20  Unique         2.21, 3.84 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 833, 834, 835,
 igr2= 840, 841, 842,
 &end
#
# 55 ILE  QD1           6 ALA  MB          4.50    (#   1369:20  Unique         3.03, 5.07 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 840, 841, 842,
 igr2=  92,  93,  94,
 &end
#
# 60 ASN  HA           55 ILE  QD1         5.50    (#   2497:20  Unique         4.48, 5.65 A)
 &rst
  ixpk= 2497, nxpk= 20, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 840, 841, 842,
 &end
#
# 60 ASN  HB+          55 ILE  QD1         4.50    (#   1856:20  Unique         2.37, 3.80 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 905, 906,
 igr2= 840, 841, 842,
 &end
#
# 55 ILE  QD1          60 ASN  HB-         4.50    (#    599:20  Unique         2.37, 3.80 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 840, 841, 842,
 igr2= 905, 906,
 &end
#
# 60 ASN  HD2+         55 ILE  QD1         5.50    (#   2259:20  Unique         3.76, 4.82 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 910, 911,
 igr2= 840, 841, 842,
 &end
#
# 63 THR  HA           55 ILE  QD1         5.50    (#   1854:20  Unique         5.45, 6.13 A)
 &rst
  ixpk= 1854, nxpk= 20, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 840, 841, 842,
 &end
#
# 55 ILE  QD1           7 THR  HN          5.50    (#    669:10  Unique         3.92, 4.99 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 840, 841, 842,
 &end
#
# 8 ASP  HA           55 ILE  QD1         5.50    (#   2498:20  Unique         3.48, 4.14 A)
 &rst
  ixpk= 2498, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 840, 841, 842,
 &end
#
# 55 ILE  QD1           8 ASP  HN          4.50    (#    679:10  Unique         2.96, 4.03 A)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 840, 841, 842,
 &end
#
# 55 ILE  QG2          56 ASP  HN          5.50    (#   1036:10  Unique         4.56, 5.15 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 833, 834, 835,
 &end
#
# 57 VAL  HA           55 ILE  QG2         5.50    (#   2679:20  Unique         5.06, 6.34 A)
 &rst
  ixpk= 2679, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 833, 834, 835,
 &end
#
# 55 ILE  QG2          57 VAL  MGX         4.50    (#   1345:20  Unique         4.38, 7.55 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 833, 834, 835,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 60 ASN  HB+          55 ILE  QG2         4.50    (#   1830:20  Unique         4.70, 5.68 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 905, 906,
 igr2= 833, 834, 835,
 &end
#
# 55 ILE  QG2          60 ASN  HB-         5.50    (#   2878:20  Unique         4.70, 5.68 A)
 &rst
  ixpk= 2878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 833, 834, 835,
 igr2= 905, 906,
 &end
#
# 60 ASN  HD2+         55 ILE  QG2         5.50    (#   2258:20  Unique         5.28, 6.50 A)
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 910, 911,
 igr2= 833, 834, 835,
 &end
#
# 56 ASP  HA           56 ASP  HB+         3.50    (#    568:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 850, 851,
 &end
#
# 56 ASP  HB-          56 ASP  HA          4.50    (#   2737:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
# 56 ASP  HA           56 ASP  HN          4.50    (#   1040:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 1040, nxpk= 10, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 56 ASP  HA           57 VAL  HN          2.80    (#    179:10  Unique         2.19, 2.23 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 848, 858, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 VAL  MGY          56 ASP  HA          5.50    (#   2886:20  Unique         3.97, 5.04 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 56 ASP  HB+          56 ASP  HN          2.80    (#     65:10  Unique         2.36, 2.57 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 850, 851,
 &end
#
# 56 ASP  HB+          57 VAL  HN          4.50    (#   1045:10  Unique         4.30, 4.40 A)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
# 56 ASP  HB-          56 ASP  HN          2.80    (#     64:10  Unique         2.36, 2.57 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 850, 851,
 &end
#
# 59 GLU  HB+          56 ASP  HB-         4.50    (#   2793:20  Unique         2.28, 4.65 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 890, 891,
 igr2= 850, 851,
 &end
#
# 56 ASP  HB-          60 ASN  HD2+        3.50    (#   1296:10  Unique         2.75, 3.92 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 850, 851,
 igr2= 910, 911,
 &end
#
# 56 ASP  HB-          60 ASN  HD2-        4.50    (#   1297:10  Unique         2.75, 3.92 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 910, 911,
 &end
#
# 56 ASP  HN           57 VAL  HN          5.50    (#   1043:10  Unique         4.43, 4.48 A)
 &rst
  ixpk= 1043, nxpk= 10, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 ASN  HD2+         56 ASP  HN          4.50    (#   1042:10  Unique         2.58, 2.98 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 910, 911,
 &end
#
# 60 ASN  HD2-         56 ASP  HN          4.50    (#     62:10  Unique         2.58, 2.98 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 910, 911,
 &end
#
# 57 VAL  HA           57 VAL  HB          2.80    (#    970:20  Unique         2.46, 2.48 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 860, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 VAL  HN           57 VAL  HA          3.50    (#     85:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 85, nxpk= 20, iat= 858, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  MGX          57 VAL  HA          2.80    (#     82:20  Unique         2.37, 3.51 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  MGY          57 VAL  HA          3.50    (#   2103:20  Unique         2.37, 3.51 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  HA           59 GLU  HN          5.50    (#   1062:10  Unique         3.62, 3.88 A)
 &rst
  ixpk= 1062, nxpk= 10, iat= 860, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 ASN  HB+          57 VAL  HA          5.50    (#   2102:20  Unique         2.65, 3.64 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 905, 906,
 &end
#
# 57 VAL  HA           60 ASN  HN          3.50    (#    313:10  Unique         2.94, 3.15 A)
 &rst
  ixpk= 313, nxpk= 10, iat= 860, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  HB           57 VAL  HN          4.50    (#   1046:10  Unique         3.63, 3.64 A)
 &rst
  ixpk= 1046, nxpk= 10, iat= 862, 858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 VAL  HB           57 VAL  MGX         2.80    (#   1344:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1344, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  HB           57 VAL  MGY         2.80    (#   1705:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1705, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  HB           64 ALA  MB          3.50    (#   1735:20  Unique         3.28, 3.99 A)
 &rst
  ixpk= 1735, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 965, 966, 967,
 &end
#
# 57 VAL  MGX          57 VAL  HN          2.80    (#    181:10  Unique         2.05, 3.10 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  MGY          57 VAL  HN          2.80    (#    180:10  Unique         2.05, 3.10 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 58 ASP  HN           57 VAL  HN          2.80    (#    178:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 874, 858, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 VAL  MGX          58 ASP  HN          5.50    (#   1051:10  Unique         2.54, 4.32 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  MGX          64 ALA  MB          2.80    (#   1737:20  Unique         2.43, 5.31 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2= 965, 966, 967,
 &end
#
# 57 VAL  MGX          69 VAL  MGX         5.50    (#   2842:20  Unique         2.72, 6.64 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 57 VAL  MGY          58 ASP  HN          3.50    (#   1049:10  Unique         2.54, 4.32 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 864, 865, 866, 868, 869, 870,
 &end
#
# 57 VAL  MGY          64 ALA  MB          4.50    (#   1738:20  Unique         2.43, 5.31 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2= 965, 966, 967,
 &end
#
# 57 VAL  MGY          72 ILE  QD1         3.50    (#   1811:20  Unique         2.22, 4.48 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 864, 865, 866, 868, 869, 870,
 igr2=1085,1086,1087,
 &end
#
# 58 ASP  HA           58 ASP  HB+         2.80    (#    593:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 593, nxpk= 20, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 878, 879,
 &end
#
# 58 ASP  HA           58 ASP  HB-         3.50    (#    590:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 878, 879,
 &end
#
# 58 ASP  HA           58 ASP  HN          3.50    (#    162:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 58 ASP  HA           59 GLU  HN          4.50    (#   1063:10  Unique         3.44, 3.48 A)
 &rst
  ixpk= 1063, nxpk= 10, iat= 876, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 58 ASP  HB+          58 ASP  HN          2.80    (#    164:10  Unique         2.43, 2.53 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 878, 879,
 &end
#
# 58 ASP  HB+          59 GLU  HN          3.50    (#   1060:10  Unique         2.72, 3.64 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 878, 879,
 &end
#
# 58 ASP  HB-          58 ASP  HN          2.80    (#    163:10  Unique         2.43, 2.53 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 878, 879,
 &end
#
# 58 ASP  HB-          59 GLU  HG+         5.50    (#   2931:20  Unique         2.69, 4.56 A)
 &rst
  ixpk= 2931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 878, 879,
 igr2= 893, 894,
 &end
#
# 58 ASP  HB-          59 GLU  HN          3.50    (#   1061:10  Unique         2.72, 3.64 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 878, 879,
 &end
#
# 58 ASP  HN           59 GLU  HN          2.80    (#    459:10  Unique         2.32, 2.61 A)
 &rst
  ixpk= 459, nxpk= 10, iat= 874, 886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 58 ASP  HN           60 ASN  HN          4.50    (#   1065:10  Unique         3.69, 3.97 A)
 &rst
  ixpk= 1065, nxpk= 10, iat= 874, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 GLU  HB+          59 GLU  HA          3.50    (#   2784:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
# 59 GLU  HA           59 GLU  HB-         2.80    (#    889:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 890, 891,
 &end
#
# 59 GLU  HG+          59 GLU  HA          3.50    (#    274:20  Unique         2.42, 2.92 A)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 893, 894,
 &end
#
# 59 GLU  HA           59 GLU  HG-         2.80    (#    675:20  Unique         2.42, 2.92 A)
 &rst
  ixpk= 675, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 893, 894,
 &end
#
# 59 GLU  HA           59 GLU  HN          3.50    (#    462:10  Unique         2.90, 2.98 A)
 &rst
  ixpk= 462, nxpk= 10, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 59 GLU  HA           60 ASN  HN          3.50    (#   1066:10  Unique         3.21, 3.32 A)
 &rst
  ixpk= 1066, nxpk= 10, iat= 888, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 59 GLU  HA           61 GLN  HG+         5.50    (#   2552:20  Unique         4.48, 5.59 A)
 &rst
  ixpk= 2552, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 922, 923,
 &end
#
# 59 GLU  HB+          59 GLU  HN          2.80    (#    464:10  Unique         2.36, 3.10 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 890, 891,
 &end
#
# 59 GLU  HB+          60 ASN  HD2+        3.50    (#   1300:10  Unique         2.29, 3.31 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 890, 891,
 igr2= 910, 911,
 &end
#
# 59 GLU  HB+          60 ASN  HD2-        3.50    (#   1301:10  Unique         2.29, 3.31 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 890, 891,
 igr2= 910, 911,
 &end
#
# 59 GLU  HB+          60 ASN  HN          3.50    (#   1070:10  Unique         3.31, 4.01 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 890, 891,
 &end
#
# 59 GLU  HG+          59 GLU  HB-         2.80    (#    890:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 893, 894,
 igr2= 890, 891,
 &end
#
# 59 GLU  HN           59 GLU  HB-         4.50    (#    888:20  Unique         2.36, 3.10 A)
 &rst
  ixpk= 888, nxpk= 20, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 890, 891,
 &end
#
# 59 GLU  HG+          59 GLU  HN          3.50    (#   1058:10  Unique         2.49, 3.44 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 893, 894,
 &end
#
# 59 GLU  HN           59 GLU  HG-         5.50    (#   2413:20  Unique         2.49, 3.44 A)
 &rst
  ixpk= 2413, nxpk= 20, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 893, 894,
 &end
#
# 59 GLU  HN           60 ASN  HD2+        5.50    (#   1287:10  Unique         2.94, 3.78 A)
 &rst
  ixpk= 1287, nxpk= 10, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 910, 911,
 &end
#
# 59 GLU  HN           60 ASN  HD2-        5.50    (#   1288:10  Unique         2.94, 3.78 A)
 &rst
  ixpk= 1288, nxpk= 10, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 910, 911,
 &end
#
# 60 ASN  HN           59 GLU  HN          2.80    (#    460:10  Unique         2.05, 2.23 A)
 &rst
  ixpk= 460, nxpk= 10, iat= 901, 886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 6 ALA  HA            6 ALA  MB          2.80    (#   1372:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
# 6 ALA  HA            7 THR  HN          2.80    (#    620:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  90,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 6 ALA  MB            6 ALA  HN          2.80    (#     87:10  Unique         2.73, 3.34 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  92,  93,  94,
 &end
#
# 7 THR  HN            6 ALA  HN          5.50    (#    665:10  Unique         4.38, 4.42 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  98,  88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 THR  HN            6 ALA  MB          3.50    (#   1365:20  Unique         2.20, 3.16 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
# 60 ASN  HB+          60 ASN  HA          3.50    (#   2014:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 905, 906,
 &end
#
# 60 ASN  HA           60 ASN  HB-         3.50    (#    597:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 905, 906,
 &end
#
# 60 ASN  HA           60 ASN  HN          3.50    (#    312:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 312, nxpk= 10, iat= 903, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 60 ASN  HA           61 GLN  HN          2.80    (#    305:10  Unique         2.66, 2.77 A)
 &rst
  ixpk= 305, nxpk= 10, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 60 ASN  HA           62 GLU  HN          4.50    (#   1073:10  Unique         3.08, 3.21 A)
 &rst
  ixpk= 1073, nxpk= 10, iat= 903, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 60 ASN  HA            8 ASP  HN          5.50    (#    680:10  Unique         3.84, 4.00 A)
 &rst
  ixpk= 680, nxpk= 10, iat= 903, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 ASN  HB+          60 ASN  HD2+        2.80    (#   1294:10  Unique         2.26, 3.35 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 905, 906,
 igr2= 910, 911,
 &end
#
# 60 ASN  HB+          60 ASN  HD2-        3.50    (#   1295:10  Unique         2.26, 3.35 A)
 &rst
  ixpk= 1295, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 905, 906,
 igr2= 910, 911,
 &end
#
# 60 ASN  HN           60 ASN  HB+         3.50    (#    605:20  Unique         2.74, 3.34 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 905, 906,
 &end
#
# 61 GLN  HN           60 ASN  HB+         5.50    (#   2314:20  Unique         4.25, 4.41 A)
 &rst
  ixpk= 2314, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 905, 906,
 &end
#
# 60 ASN  HB-          60 ASN  HD2+        3.50    (#   1292:10  Unique         2.26, 3.35 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 905, 906,
 igr2= 910, 911,
 &end
#
# 60 ASN  HB-          60 ASN  HD2-        4.50    (#   1293:10  Unique         2.26, 3.35 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 905, 906,
 igr2= 910, 911,
 &end
#
# 60 ASN  HB-          60 ASN  HN          3.50    (#   1067:10  Unique         2.74, 3.34 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 905, 906,
 &end
#
# 61 GLN  HN           60 ASN  HB-         5.50    (#   2313:20  Unique         4.25, 4.41 A)
 &rst
  ixpk= 2313, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 905, 906,
 &end
#
# 8 ASP  HN           60 ASN  HB-         4.50    (#   2170:20  Unique         3.40, 4.20 A)
 &rst
  ixpk= 2170, nxpk= 20, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 905, 906,
 &end
#
# 60 ASN  HD2+         60 ASN  HN          3.50    (#    310:10  Unique         3.08, 3.87 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 910, 911,
 &end
#
# 7 THR  HA           60 ASN  HD2+        4.50    (#   1290:10  Unique         2.53, 3.41 A)
 &rst
  ixpk= 1290, nxpk= 10, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 910, 911,
 &end
#
# 7 THR  MG2          60 ASN  HD2+        5.50    (#   1304:10  Unique         1.82, 3.90 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 104, 105, 106,
 igr2= 910, 911,
 &end
#
# 7 THR  HA           60 ASN  HD2-        4.50    (#   1291:10  Unique         2.53, 3.41 A)
 &rst
  ixpk= 1291, nxpk= 10, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 910, 911,
 &end
#
# 7 THR  MG2          60 ASN  HD2-        4.50    (#   1305:10  Unique         1.82, 3.90 A)
 &rst
  ixpk= 1305, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104, 105, 106,
 igr2= 910, 911,
 &end
#
# 60 ASN  HD2-          8 ASP  HN          5.50    (#    681:10  Unique         3.85, 4.44 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 910, 911,
 &end
#
# 60 ASN  HN           61 GLN  HE2+        3.50    (#    539:10  Unique         2.68, 4.07 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 927, 928,
 &end
#
# 61 GLN  HN           60 ASN  HN          4.50    (#   1064:10  Unique         2.40, 2.59 A)
 &rst
  ixpk= 1064, nxpk= 10, iat= 915, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 61 GLN  HA           61 GLN  HB-         2.80    (#   1039:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 1039, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 919, 920,
 &end
#
# 61 GLN  HG+          61 GLN  HA          2.80    (#    216:20  Unique         2.37, 3.23 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 922, 923,
 &end
#
# 61 GLN  HA           61 GLN  HN          2.80    (#    306:10  Unique         2.79, 2.81 A)
 &rst
  ixpk= 306, nxpk= 10, iat= 917, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 61 GLN  HA           62 GLU  HN          4.50    (#   1074:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 1074, nxpk= 10, iat= 917, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 61 GLN  HA           64 ALA  HN          4.50    (#   1083:10  Unique         3.39, 3.63 A)
 &rst
  ixpk= 1083, nxpk= 10, iat= 917, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 64 ALA  MB           61 GLN  HA          3.50    (#    217:20  Unique         2.25, 3.29 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
# 61 GLN  HA           65 GLY  HN          5.50    (#   1089:10  Unique         3.54, 3.71 A)
 &rst
  ixpk= 1089, nxpk= 10, iat= 917, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 GLN  HB+          61 GLN  HN          2.80    (#    309:10  Unique         2.36, 3.03 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 919, 920,
 &end
#
# 61 GLN  HB+          62 GLU  HN          2.80    (#    175:10  Unique         2.81, 3.37 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 919, 920,
 &end
#
# 61 GLN  HB+          64 ALA  MB          4.50    (#   1736:20  Unique         4.17, 5.82 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 919, 920,
 igr2= 965, 966, 967,
 &end
#
# 61 GLN  HB-          61 GLN  HN          2.80    (#    308:10  Unique         2.36, 3.03 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 919, 920,
 &end
#
# 62 GLU  HN           61 GLN  HB-         5.50    (#   2180:20  Unique         2.81, 3.37 A)
 &rst
  ixpk= 2180, nxpk= 20, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 919, 920,
 &end
#
# 61 GLN  HG+          61 GLN  HN          2.80    (#    307:10  Unique         2.23, 3.11 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 922, 923,
 &end
#
# 61 GLN  HG-          61 GLN  HN          2.80    (#    303:10  Unique         2.23, 3.11 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 922, 923,
 &end
#
# 61 GLN  HG-          62 GLU  HN          5.50    (#   1077:10  Unique         4.54, 4.99 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 922, 923,
 &end
#
# 62 GLU  HN           61 GLN  HN          2.80    (#    302:10  Unique         2.75, 2.80 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 932, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 62 GLU  HA           62 GLU  HB+         2.80    (#   1044:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 1044, nxpk= 20, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 936, 937,
 &end
#
# 62 GLU  HA           62 GLU  HN          2.80    (#    172:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 172, nxpk= 10, iat= 934, 932, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 63 THR  HN           62 GLU  HA          4.50    (#   2148:20  Unique         3.61, 3.65 A)
 &rst
  ixpk= 2148, nxpk= 20, iat= 947, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62 GLU  HA           65 GLY  HN          3.50    (#   1088:10  Unique         3.51, 3.54 A)
 &rst
  ixpk= 1088, nxpk= 10, iat= 934, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 62 GLU  HA           66 LYS  HN          5.50    (#   1096:10  Unique         4.22, 4.45 A)
 &rst
  ixpk= 1096, nxpk= 10, iat= 934, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HB+          62 GLU  HN          2.80    (#    176:10  Unique         2.20, 3.00 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 936, 937,
 &end
#
# 63 THR  HN           62 GLU  HB+         3.50    (#   1043:20  Unique         2.42, 3.10 A)
 &rst
  ixpk= 1043, nxpk= 20, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 936, 937,
 &end
#
# 62 GLU  HB+           8 ASP  HB+         3.50    (#    542:20  Unique         3.04, 4.49 A)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 936, 937,
 igr2= 116, 117,
 &end
#
# 62 GLU  HG+          62 GLU  HN          3.50    (#    173:10  Unique         2.24, 3.09 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 939, 940,
 &end
#
# 62 GLU  HN           62 GLU  HG-         5.50    (#    696:20  Unique         2.24, 3.09 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 939, 940,
 &end
#
# 63 THR  HA           62 GLU  HN          5.50    (#   1078:10  Unique         5.34, 5.37 A)
 &rst
  ixpk= 1078, nxpk= 10, iat= 949, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HN           63 THR  HN          2.80    (#    298:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 298, nxpk= 10, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 62 GLU  HN           64 ALA  HN          5.50    (#   1086:10  Unique         4.15, 4.23 A)
 &rst
  ixpk= 1086, nxpk= 10, iat= 932, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 THR  HB           63 THR  HA          3.00    (#     15:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 63 THR  HA           63 THR  HN          2.80    (#    299:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 949, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 63 THR  HA           63 THR  MG2         2.80    (#   1569:20  Unique         2.53, 2.99 A)
 &rst
  ixpk= 1569, nxpk= 20, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 953, 954, 955,
 &end
#
# 64 ALA  HN           63 THR  HA          5.50    (#   2062:20  Unique         3.59, 3.61 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 961, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 TYR  HE           63 THR  HA          5.50    (#   2059:20  Unique         3.91, 5.13 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1010,1015,
 &end
#
# 63 THR  HB           63 THR  HN          2.80    (#    300:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 300, nxpk= 10, iat= 951, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 63 THR  HB           63 THR  MG2         2.80    (#   1570:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 953, 954, 955,
 &end
#
# 63 THR  HB           66 LYS  HB+         4.50    (#    877:20  Unique         4.73, 5.19 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
# 63 THR  HB           66 LYS  HB-         4.50    (#    898:20  Unique         4.73, 5.19 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
# 63 THR  HB           66 LYS  HN          5.50    (#   1095:10  Unique         4.94, 5.07 A)
 &rst
  ixpk= 1095, nxpk= 10, iat= 951, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 THR  HN           64 ALA  HN          2.80    (#    182:10  Unique         2.42, 2.67 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 63 THR  HN           65 GLY  HN          5.50    (#   1087:10  Unique         3.81, 4.07 A)
 &rst
  ixpk= 1087, nxpk= 10, iat= 947, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 THR  MG2          64 ALA  HA          5.50    (#   2884:20  Unique         4.55, 5.64 A)
 &rst
  ixpk= 2884, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 955,
 &end
#
# 63 THR  MG2          64 ALA  HN          4.50    (#   1084:10  Unique         4.28, 4.79 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 953, 954, 955,
 &end
#
# 63 THR  MG2          66 LYS  HN          5.50    (#   1092:10  Unique         4.66, 5.67 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 955,
 &end
#
# 67 TYR  HE           63 THR  MG2         2.80    (#   1567:20  Unique         2.27, 4.74 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1010,1015,
 igr2= 953, 954, 955,
 &end
#
# 63 THR  MG2          67 TYR  HN          5.50    (#   1105:10  Unique         5.55, 6.70 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 953, 954, 955,
 &end
#
# 64 ALA  HN           64 ALA  HA          3.50    (#    293:20  Unique         2.80, 2.81 A)
 &rst
  ixpk= 293, nxpk= 20, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 64 ALA  HA           64 ALA  MB          2.80    (#   1734:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 1734, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
# 64 ALA  HA           67 TYR  HN          3.80    (#   1100:10  Unique         3.83, 3.85 A)
 &rst
  ixpk= 1100, nxpk= 10, iat= 963,1000, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 ALA  HA           69 VAL  HB          3.50    (#    986:20  Unique         2.36, 2.49 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 963,1032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 64 ALA  HA           69 VAL  MGX         3.50    (#   1650:20  Unique         2.78, 4.07 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGY          64 ALA  HA          5.50    (#   2883:20  Unique         2.78, 4.07 A)
 &rst
  ixpk= 2883, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 64 ALA  MB           64 ALA  HN          2.80    (#    186:10  Unique         2.40, 2.85 A)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 965, 966, 967,
 &end
#
# 64 ALA  HN           65 GLY  HN          2.80    (#    639:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 639, nxpk= 10, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 64 ALA  HN           66 LYS  HN          5.50    (#   1097:10  Unique         4.03, 4.07 A)
 &rst
  ixpk= 1097, nxpk= 10, iat= 961, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 TYR  HE           64 ALA  HN          5.00    (#    184:10  Unique         4.61, 6.55 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1010,1015,
 &end
#
# 64 ALA  MB           65 GLY  HN          2.80    (#    641:10  Unique         2.51, 3.37 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 965, 966, 967,
 &end
#
# 64 ALA  MB           69 VAL  HN          4.50    (#   1112:10  Unique         3.38, 4.65 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 965, 966, 967,
 &end
#
# 69 VAL  MGX          64 ALA  MB          4.50    (#   1762:20  Unique         2.67, 5.05 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1034,1035,1036,1038,1039,1040,
 igr2= 965, 966, 967,
 &end
#
# 64 ALA  MB           69 VAL  MGY         2.80    (#   1604:20  Unique         2.67, 5.05 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 965, 966, 967,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 65 GLY  HA+          65 GLY  HN          2.80    (#    640:10  Unique         2.25, 2.55 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 973, 974,
 &end
#
# 66 LYS  HB+          65 GLY  HA+         5.50    (#   2766:20  Unique         4.91, 5.61 A)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,
 igr2= 973, 974,
 &end
#
# 66 LYS  HB+          66 LYS  HA          2.80    (#    200:20  Unique         2.51, 2.85 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
# 66 LYS  HA           66 LYS  HB-         2.80    (#    868:20  Unique         2.51, 2.85 A)
 &rst
  ixpk= 868, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 982, 983,
 &end
#
# 66 LYS  HD+          66 LYS  HA          3.80    (#   2788:20  Unique         2.19, 2.94 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 988, 989,
 &end
#
# 66 LYS  HA           66 LYS  HG-         3.50    (#   1285:20  Unique         2.27, 3.28 A)
 &rst
  ixpk= 1285, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 985, 986,
 &end
#
# 66 LYS  HN           66 LYS  HA          3.50    (#    198:20  Unique         2.79, 2.80 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 978, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 66 LYS  HB+          66 LYS  HN          2.80    (#    149:10  Unique         2.06, 2.52 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
# 66 LYS  HB+          67 TYR  HN          2.80    (#    534:10  Unique         2.88, 3.38 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
# 66 LYS  HG+          66 LYS  HB-         4.50    (#    870:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 985, 986,
 igr2= 982, 983,
 &end
#
# 66 LYS  HB-          66 LYS  HN          2.80    (#    148:10  Unique         2.06, 2.52 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
# 66 LYS  HB-          67 TYR  HN          3.50    (#   1101:10  Unique         2.88, 3.38 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 983,
 &end
#
# 66 LYS  HE+          66 LYS  HD+         2.80    (#   1029:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 991, 992,
 igr2= 988, 989,
 &end
#
# 66 LYS  HG-          66 LYS  HD+         2.80    (#   1028:20  Unique         2.40, 2.70 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 985, 986,
 igr2= 988, 989,
 &end
#
# 67 TYR  HE           66 LYS  HD+         5.50    (#   2432:20  Unique         2.61, 6.06 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1015,
 igr2= 988, 989,
 &end
#
# 66 LYS  HE+          66 LYS  HD-         3.50    (#   1031:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 991, 992,
 igr2= 988, 989,
 &end
#
# 66 LYS  HG-          66 LYS  HD-         2.80    (#   1032:20  Unique         2.40, 2.70 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 985, 986,
 igr2= 988, 989,
 &end
#
# 67 TYR  HE           66 LYS  HD-         5.50    (#   2433:20  Unique         2.61, 6.06 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1015,
 igr2= 988, 989,
 &end
#
# 67 TYR  HE           66 LYS  HE+         5.50    (#   2420:20  Unique         3.67, 6.14 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1015,
 igr2= 991, 992,
 &end
#
# 66 LYS  HG+          66 LYS  HN          5.50    (#   1091:10  Unique         2.45, 4.41 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 985, 986,
 &end
#
# 66 LYS  HG-          66 LYS  HN          4.50    (#   1090:10  Unique         2.45, 4.41 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 985, 986,
 &end
#
# 66 LYS  HN           67 TYR  HN          2.80    (#    528:10  Unique         2.63, 2.80 A)
 &rst
  ixpk= 528, nxpk= 10, iat= 978,1000, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 68 GLY  HN           66 LYS  HN          5.50    (#    145:10  Unique         3.81, 3.99 A)
 &rst
  ixpk= 145, nxpk= 10, iat=1021, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 TYR  HB+          67 TYR  HA          3.50    (#    203:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1004,1005,
 &end
#
# 67 TYR  HB-          67 TYR  HA          2.80    (#    206:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1004,1005,
 &end
#
# 67 TYR  HA           67 TYR  HN          3.50    (#    531:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 531, nxpk= 10, iat=1002,1000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 67 TYR  HA           68 GLY  HN          3.50    (#   1110:10  Unique         3.19, 3.26 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=1002,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 67 TYR  HE           67 TYR  HB+         5.50    (#   2926:20  Unique         4.60, 5.10 A)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1015,
 igr2=1004,1005,
 &end
#
# 67 TYR  HB+          67 TYR  HN          2.80    (#    533:10  Unique         2.91, 3.35 A)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1004,1005,
 &end
#
# 67 TYR  HB+          68 GLY  HN          5.50    (#   1108:10  Unique         3.28, 4.20 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1004,1005,
 &end
#
# 67 TYR  HB+          69 VAL  MGX         3.50    (#   1653:20  Unique         2.10, 5.20 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1004,1005,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGY          67 TYR  HB+         4.50    (#   2858:20  Unique         2.10, 5.20 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1034,1035,1036,1038,1039,1040,
 igr2=1004,1005,
 &end
#
# 67 TYR  HE           67 TYR  HB-         5.50    (#   2417:20  Unique         4.60, 5.10 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1015,
 igr2=1004,1005,
 &end
#
# 67 TYR  HB-          67 TYR  HN          2.80    (#    532:10  Unique         2.91, 3.35 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1004,1005,
 &end
#
# 67 TYR  HB-          68 GLY  HN          5.50    (#   1109:10  Unique         3.28, 4.20 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1004,1005,
 &end
#
# 67 TYR  HB-          69 VAL  MGX         4.50    (#   1652:20  Unique         2.10, 5.20 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1004,1005,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 76 LEU  HG           67 TYR  HB-         4.50    (#    645:20  Unique         3.65, 4.02 A)
 &rst
  ixpk= 645, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
# 67 TYR  HD           83 VAL  MGY         3.50    (#   1377:20  Unique         2.41, 5.50 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1008,1017,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 67 TYR  HE           67 TYR  HN          5.50    (#   1098:10  Unique         4.10, 4.80 A)
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1010,1015,
 &end
#
# 67 TYR  HE           76 LEU  HG          3.50    (#   1183:20  Unique         3.40, 4.25 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1015,
 &end
#
# 67 TYR  HE           83 VAL  HN          5.50    (#   1022:10  Unique         4.16, 6.75 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1010,1015,
 &end
#
# 67 TYR  HE           83 VAL  MGY         3.50    (#   1378:20  Unique         2.25, 5.48 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1010,1015,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 67 TYR  HN           68 GLY  HN          2.80    (#    611:10  Unique         2.02, 2.29 A)
 &rst
  ixpk= 611, nxpk= 10, iat=1000,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  MGX          67 TYR  HN          5.50    (#   1103:10  Unique         3.29, 5.71 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 68 GLY  HA+          68 GLY  HN          2.80    (#    612:10  Unique         2.27, 2.57 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1023,1024,
 &end
#
# 69 VAL  HB           68 GLY  HN          5.50    (#   1107:10  Unique         4.50, 4.93 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=1032,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 VAL  HN           68 GLY  HN          2.80    (#    610:10  Unique         2.28, 2.66 A)
 &rst
  ixpk= 610, nxpk= 10, iat=1028,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  MGX          68 GLY  HN          5.50    (#   1106:10  Unique         3.71, 6.12 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  HB           69 VAL  HA          3.50    (#     84:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 84, nxpk= 20, iat=1032,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HA           69 VAL  HN          3.50    (#    279:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 279, nxpk= 10, iat=1030,1028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HA           69 VAL  MGX         2.80    (#   1651:20  Unique         2.50, 3.17 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  HA           69 VAL  MGY         2.80    (#   1601:20  Unique         2.50, 3.17 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 70 MET  HA           69 VAL  HA          5.50    (#   2116:20  Unique         4.45, 4.49 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=1046,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 MET  HB+          69 VAL  HA          5.50    (#   2115:20  Unique         4.24, 4.99 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1048,1049,
 &end
#
# 69 VAL  HA           70 MET  HN          2.80    (#     79:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 79, nxpk= 10, iat=1030,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  HA           71 SER  HN          3.50    (#   1124:10  Unique         3.30, 3.46 A)
 &rst
  ixpk= 1124, nxpk= 10, iat=1030,1061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HA           74 THR  MG2         5.50    (#   2626:20  Unique         3.12, 4.43 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1111,1112,1113,
 &end
#
# 69 VAL  HB           69 VAL  HN          2.80    (#    280:10  Unique         2.35, 2.46 A)
 &rst
  ixpk= 280, nxpk= 10, iat=1032,1028, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  HB           69 VAL  MGX         2.80    (#   1654:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGY          69 VAL  HB          2.80    (#    987:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGX          69 VAL  HN          2.80    (#    281:10  Unique         2.17, 3.82 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGY          69 VAL  HN          3.50    (#   1114:10  Unique         2.17, 3.82 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 70 MET  HN           69 VAL  HN          5.50    (#    276:10  Unique         4.40, 4.49 A)
 &rst
  ixpk= 276, nxpk= 10, iat=1044,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 VAL  MGX          70 MET  HN          5.50    (#   1115:10  Unique         2.80, 4.46 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGX          74 THR  HB          4.50    (#   2056:20  Unique         2.45, 3.79 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 74 THR  MG2          69 VAL  MGX         2.80    (#   1656:20  Unique         2.23, 3.85 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1111,1112,1113,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGX          76 LEU  HG          3.50    (#   1194:20  Unique         3.77, 5.57 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 76 LEU  MDX          69 VAL  MGX         4.50    (#   1657:20  Unique         2.26, 5.91 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1147,1148,1149,1151,1152,1153,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 70 MET  HA           69 VAL  MGY         5.50    (#   2507:20  Unique         3.34, 5.83 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGY          70 MET  HN          3.50    (#   1116:10  Unique         2.80, 4.46 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 69 VAL  MGY          71 SER  HN          3.50    (#   1125:10  Unique         2.72, 4.69 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1034,1035,1036,1038,1039,1040,
 &end
#
# 74 THR  HB           69 VAL  MGY         2.80    (#   1600:20  Unique         2.45, 3.79 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 74 THR  MG2          69 VAL  MGY         2.80    (#   1605:20  Unique         2.23, 3.85 A)
 &rst
  ixpk= 1605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1111,1112,1113,
 igr2=1034,1035,1036,1038,1039,1040,
 &end
#
# 7 THR  HA            8 ASP  HN          2.80    (#    263:10  Unique         2.40, 2.48 A)
 &rst
  ixpk= 263, nxpk= 10, iat= 100, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 7 THR  HB            7 THR  MG2         2.80    (#   1493:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1493, nxpk= 20, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 104, 105, 106,
 &end
#
# 7 THR  HB            9 GLN  HN          2.80    (#    480:10  Unique         2.72, 2.80 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 7 THR  HN            7 THR  MG2         4.50    (#   1491:20  Unique         3.43, 4.19 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 104, 105, 106,
 &end
#
# 70 MET  HB+          70 MET  HA          3.50    (#    302:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1048,1049,
 &end
#
# 70 MET  HA           70 MET  HB-         3.50    (#    799:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 799, nxpk= 20, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1048,1049,
 &end
#
# 70 MET  HA           70 MET  HG+         4.50    (#    913:20  Unique         2.38, 2.95 A)
 &rst
  ixpk= 913, nxpk= 20, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1051,1052,
 &end
#
# 70 MET  HA           70 MET  HG-         4.50    (#    918:20  Unique         2.38, 2.95 A)
 &rst
  ixpk= 918, nxpk= 20, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1051,1052,
 &end
#
# 70 MET  HA           70 MET  HN          3.50    (#   1121:10  Unique         2.89, 2.97 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 70 MET  HA           71 SER  HB+         5.50    (#     64:20  Unique         5.69, 6.06 A)
 &rst
  ixpk= 64, nxpk= 20, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1065,1066,
 &end
#
# 70 MET  HA           71 SER  HN          3.50    (#   1123:10  Unique         3.19, 3.26 A)
 &rst
  ixpk= 1123, nxpk= 10, iat=1046,1061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 70 MET  HB+          70 MET  HG+         2.80    (#    916:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1048,1049,
 igr2=1051,1052,
 &end
#
# 70 MET  HB+          70 MET  HG-         2.80    (#    920:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1048,1049,
 igr2=1051,1052,
 &end
#
# 70 MET  HB+          70 MET  HN          2.80    (#   1117:10  Unique         2.59, 3.18 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1048,1049,
 &end
#
# 70 MET  HB+          71 SER  HN          3.50    (#   1126:10  Unique         2.81, 4.02 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1048,1049,
 &end
#
# 70 MET  HB-          70 MET  HN          3.50    (#   1118:10  Unique         2.59, 3.18 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1048,1049,
 &end
#
# 70 MET  HB-          71 SER  HB+         5.50    (#   2087:20  Unique         4.77, 5.87 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1048,1049,
 igr2=1065,1066,
 &end
#
# 70 MET  HB-          71 SER  HN          4.50    (#   1127:10  Unique         2.81, 4.02 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1048,1049,
 &end
#
# 70 MET  HG+          70 MET  HN          5.50    (#   1120:10  Unique         2.10, 3.89 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1051,1052,
 &end
#
# 70 MET  HG-          70 MET  HN          4.50    (#   1119:10  Unique         2.10, 3.89 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1051,1052,
 &end
#
# 70 MET  HN           71 SER  HN          2.80    (#    506:10  Unique         1.75, 1.93 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1044,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 SER  HA           71 SER  HB+         2.80    (#     63:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 63, nxpk= 20, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1065,1066,
 &end
#
# 71 SER  HA           71 SER  HN          2.80    (#    507:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 507, nxpk= 10, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 SER  HA           72 ILE  HN          2.80    (#    475:10  Unique         2.31, 2.44 A)
 &rst
  ixpk= 475, nxpk= 10, iat=1063,1072, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 SER  HB+          71 SER  HN          2.80    (#    508:10  Unique         2.58, 3.36 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1065,1066,
 &end
#
# 71 SER  HB+          72 ILE  HN          2.80    (#    476:10  Unique         2.47, 3.16 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1065,1066,
 &end
#
# 71 SER  HB+          88 VAL  MGX         2.80    (#   1554:20  Unique         2.43, 4.87 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1065,1066,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 71 SER  HB+          88 VAL  MGY         3.50    (#   1616:20  Unique         2.43, 4.87 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1065,1066,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 71 SER  HN           72 ILE  HN          5.50    (#    474:10  Unique         4.29, 4.33 A)
 &rst
  ixpk= 474, nxpk= 10, iat=1061,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ILE  HG1+         72 ILE  HB          4.50    (#   2860:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2860, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1082,1083,
 &end
#
# 72 ILE  HG1-         72 ILE  HB          4.50    (#    561:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1082,1083,
 &end
#
# 72 ILE  HB           72 ILE  HN          5.50    (#   1131:10  Unique         3.85, 3.88 A)
 &rst
  ixpk= 1131, nxpk= 10, iat=1076,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ILE  HB           72 ILE  QD1         3.50    (#   1808:20  Unique         2.46, 3.15 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1085,1086,1087,
 &end
#
# 72 ILE  QG2          72 ILE  HB          2.80    (#    564:20  Unique         2.35, 2.64 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1078,1079,1080,
 &end
#
# 72 ILE  HB           73 PRO  HA          2.80    (#   1933:20  Unique         2.07, 2.13 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=1076,1101, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 72 ILE  HB           74 THR  HN          3.50    (#   1140:10  Unique         3.51, 3.54 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=1076,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 72 ILE  HG1+         72 ILE  HN          3.50    (#    477:10  Unique         2.44, 2.80 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1082,1083,
 &end
#
# 72 ILE  HG1-         72 ILE  HN          2.80    (#   1130:10  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1082,1083,
 &end
#
# 72 ILE  HG1-         72 ILE  QD1         3.50    (#   1809:20  Unique         2.33, 2.65 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1082,1083,
 igr2=1085,1086,1087,
 &end
#
# 72 ILE  QG2          72 ILE  HG1-        2.80    (#   1274:20  Unique         2.45, 3.58 A)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1078,1079,1080,
 igr2=1082,1083,
 &end
#
# 72 ILE  HN           72 ILE  QD1         5.50    (#   2255:20  Unique         4.68, 4.97 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1085,1086,1087,
 &end
#
# 72 ILE  QG2          72 ILE  HN          4.50    (#   1128:10  Unique         3.24, 4.21 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1078,1079,1080,
 &end
#
# 72 ILE  QG2          72 ILE  QD1         2.80    (#   1812:20  Unique         2.26, 3.66 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1078,1079,1080,
 igr2=1085,1086,1087,
 &end
#
# 74 THR  HB           72 ILE  QG2         5.50    (#   2675:20  Unique         2.35, 3.89 A)
 &rst
  ixpk= 2675, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1078,1079,1080,
 &end
#
# 72 ILE  QG2          74 THR  HN          3.50    (#   1143:10  Unique         3.01, 4.19 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1078,1079,1080,
 &end
#
# 73 PRO  HA           73 PRO  HB-         4.50    (#   2549:20  Unique         2.28, 2.51 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1098,1099,
 &end
#
# 73 PRO  HA           74 THR  HN          2.80    (#    255:10  Unique         2.21, 2.23 A)
 &rst
  ixpk= 255, nxpk= 10, iat=1101,1105, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73 PRO  HB-          73 PRO  HD+         5.50    (#   2732:20  Unique         2.90, 3.72 A)
 &rst
  ixpk= 2732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1098,1099,
 igr2=1092,1093,
 &end
#
# 73 PRO  HB-          73 PRO  HD-         5.50    (#   2731:20  Unique         2.90, 3.72 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1098,1099,
 igr2=1092,1093,
 &end
#
# 73 PRO  HB-          73 PRO  HG+         3.50    (#   1325:20  Unique         2.36, 2.62 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1098,1099,
 igr2=1095,1096,
 &end
#
# 73 PRO  HB-          74 THR  HN          4.50    (#   1138:10  Unique         3.19, 3.58 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1098,1099,
 &end
#
# 73 PRO  HD+          73 PRO  HG+         2.80    (#   1326:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1092,1093,
 igr2=1095,1096,
 &end
#
# 73 PRO  HD-          73 PRO  HG+         3.50    (#   1297:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1092,1093,
 igr2=1095,1096,
 &end
#
# 74 THR  HA           74 THR  HB          5.50    (#   2055:20  Unique         2.94, 3.03 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 THR  HA           74 THR  HN          3.50    (#   1134:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1134, nxpk= 10, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HA           74 THR  MG2         2.80    (#   1497:20  Unique         2.45, 3.27 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1111,1112,1113,
 &end
#
# 74 THR  HA           75 LEU  HN          2.80    (#   1149:10  Unique         2.10, 2.18 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=1107,1119, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 74 THR  HA           75 LEU  MDX         5.50    (#   2513:20  Unique         2.98, 5.52 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 88 VAL  HA           74 THR  HA          3.50    (#   1924:20  Unique         2.25, 2.32 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=1322,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HA           88 VAL  MGX         5.50    (#   1555:20  Unique         3.30, 4.70 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 74 THR  HA           88 VAL  MGY         4.50    (#   1614:20  Unique         3.30, 4.70 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 74 THR  HA           89 GLY  HN          4.50    (#    852:10  Unique         2.48, 3.02 A)
 &rst
  ixpk= 852, nxpk= 10, iat=1107,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 74 THR  HB           74 THR  HN          3.50    (#   1136:10  Unique         2.62, 2.67 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=1109,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HB           74 THR  MG2         2.80    (#   1498:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1111,1112,1113,
 &end
#
# 74 THR  HB           75 LEU  HN          5.50    (#   1148:10  Unique         3.66, 4.23 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=1109,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 THR  MG2          74 THR  HN          5.50    (#   1142:10  Unique         4.27, 4.66 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1111,1112,1113,
 &end
#
# 75 LEU  HA           74 THR  MG2         5.50    (#   2478:20  Unique         4.36, 5.22 A)
 &rst
  ixpk= 2478, nxpk= 20, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1111,1112,1113,
 &end
#
# 75 LEU  HB-          74 THR  MG2         4.50    (#   1499:20  Unique         4.81, 6.26 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1123,1124,
 igr2=1111,1112,1113,
 &end
#
# 74 THR  MG2          75 LEU  HN          2.80    (#     53:10  Unique         2.45, 3.44 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1111,1112,1113,
 &end
#
# 76 LEU  HA           74 THR  MG2         5.50    (#   2479:20  Unique         5.14, 5.81 A)
 &rst
  ixpk= 2479, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1111,1112,1113,
 &end
#
# 76 LEU  HN           74 THR  MG2         5.50    (#   2238:20  Unique         4.56, 5.77 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1111,1112,1113,
 &end
#
# 87 SER  HN           74 THR  MG2         5.50    (#   2237:20  Unique         3.43, 4.62 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1111,1112,1113,
 &end
#
# 88 VAL  HA           74 THR  MG2         4.50    (#   2543:20  Unique         2.23, 3.99 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1111,1112,1113,
 &end
#
# 75 LEU  HB+          75 LEU  HA          3.50    (#   2003:20  Unique         2.44, 2.79 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1123,1124,
 &end
#
# 75 LEU  HB-          75 LEU  HA          3.50    (#   2750:20  Unique         2.44, 2.79 A)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1123,1124,
 &end
#
# 75 LEU  HG           75 LEU  HA          3.50    (#   2002:20  Unique         2.42, 3.00 A)
 &rst
  ixpk= 2002, nxpk= 20, iat=1126,1121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 LEU  HA           75 LEU  HN          3.50    (#   1151:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=1121,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 LEU  MDX          75 LEU  HA          3.50    (#   2004:20  Unique         2.17, 3.85 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1128,1129,1130,1132,1133,1134,
 &end
#
# 75 LEU  HA           76 LEU  HN          2.80    (#    258:10  Unique         2.12, 2.18 A)
 &rst
  ixpk= 258, nxpk= 10, iat=1121,1138, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 75 LEU  HB+          75 LEU  HN          3.50    (#   1145:10  Unique         2.34, 3.05 A)
 &rst
  ixpk= 1145, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1123,1124,
 &end
#
# 75 LEU  MDX          75 LEU  HB+         3.50    (#    477:20  Unique         2.37, 3.36 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1128,1129,1130,1132,1133,1134,
 igr2=1123,1124,
 &end
#
# 76 LEU  HN           75 LEU  HB+         4.50    (#   2207:20  Unique         3.06, 3.91 A)
 &rst
  ixpk= 2207, nxpk= 20, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1123,1124,
 &end
#
# 87 SER  HB+          75 LEU  HB+         5.50    (#   2666:20  Unique         2.22, 3.73 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1313,1314,
 igr2=1123,1124,
 &end
#
# 87 SER  HB-          75 LEU  HB+         5.50    (#   2667:20  Unique         2.22, 3.73 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1313,1314,
 igr2=1123,1124,
 &end
#
# 75 LEU  HB-          75 LEU  HN          2.80    (#     52:10  Unique         2.34, 3.05 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1123,1124,
 &end
#
# 76 LEU  HN           75 LEU  HB-         5.50    (#   2208:20  Unique         3.06, 3.91 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1123,1124,
 &end
#
# 75 LEU  HB-          87 SER  HB+         4.50    (#     78:20  Unique         2.22, 3.73 A)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1123,1124,
 igr2=1313,1314,
 &end
#
# 75 LEU  HB-          87 SER  HB-         3.50    (#     73:20  Unique         2.22, 3.73 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1123,1124,
 igr2=1313,1314,
 &end
#
# 87 SER  HN           75 LEU  HB-         5.50    (#   2209:20  Unique         3.24, 4.00 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1123,1124,
 &end
#
# 75 LEU  HN           75 LEU  HG          5.50    (#   2222:20  Unique         2.81, 3.36 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=1119,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LEU  HG           75 LEU  MDX         2.80    (#   1217:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 75 LEU  HN           75 LEU  MDX         4.50    (#   1212:20  Unique         2.72, 4.76 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 75 LEU  HN           76 LEU  HN          5.50    (#   1153:10  Unique         4.14, 4.32 A)
 &rst
  ixpk= 1153, nxpk= 10, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LEU  HN           87 SER  HB+         5.50    (#   2089:20  Unique         3.31, 4.18 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
# 87 SER  HB-          75 LEU  HN          4.50    (#   1147:10  Unique         3.31, 4.18 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1313,1314,
 &end
#
# 75 LEU  HN           87 SER  HN          3.50    (#    233:10  Unique         2.98, 3.11 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1119,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88 VAL  HA           75 LEU  HN          3.50    (#     51:10  Unique         3.08, 3.24 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1322,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 LEU  HN           88 VAL  MGY         5.50    (#   2239:20  Unique         4.01, 5.58 A)
 &rst
  ixpk= 2239, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 87 SER  HB-          75 LEU  MDX         4.50    (#   2634:20  Unique         3.12, 5.74 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1313,1314,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 91 LYS  HG+          75 LEU  MDX         4.50    (#   1248:20  Unique         3.44, 7.07 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1370,1371,
 igr2=1128,1129,1130,1132,1133,1134,
 &end
#
# 76 LEU  HB+          76 LEU  HA          3.50    (#   2018:20  Unique         2.65, 2.86 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1142,1143,
 &end
#
# 76 LEU  HB-          76 LEU  HA          3.50    (#   2017:20  Unique         2.65, 2.86 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1142,1143,
 &end
#
# 76 LEU  MDX          76 LEU  HA          2.80    (#   2020:20  Unique         2.10, 3.21 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1147,1148,1149,1151,1152,1153,
 &end
#
# 76 LEU  HA           77 VAL  HN          2.80    (#    215:10  Unique         2.07, 2.15 A)
 &rst
  ixpk= 215, nxpk= 10, iat=1140,1157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 76 LEU  HA           83 VAL  MGX         5.50    (#   2481:20  Unique         3.88, 5.72 A)
 &rst
  ixpk= 2481, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 76 LEU  HA           86 THR  MG2         4.50    (#   2475:20  Unique         3.37, 4.52 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1301,1302,1303,
 &end
#
# 76 LEU  HB+          76 LEU  HN          3.50    (#   1162:10  Unique         2.31, 3.00 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1142,1143,
 &end
#
# 76 LEU  HB+          76 LEU  MDX         2.80    (#   1311:20  Unique         2.37, 3.51 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1142,1143,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 76 LEU  HB+          77 VAL  HN          3.50    (#    216:10  Unique         2.86, 3.94 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1142,1143,
 &end
#
# 76 LEU  HB+          83 VAL  MGX         3.50    (#   1427:20  Unique         3.16, 5.50 A)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1142,1143,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 76 LEU  HB-          76 LEU  HN          2.80    (#    260:10  Unique         2.31, 3.00 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1142,1143,
 &end
#
# 76 LEU  HB-          76 LEU  MDX         2.80    (#   1310:20  Unique         2.37, 3.51 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1142,1143,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 77 VAL  HN           76 LEU  HB-         5.50    (#   2301:20  Unique         2.86, 3.94 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
# 76 LEU  HN           76 LEU  MDX         5.50    (#   2233:20  Unique         3.13, 4.64 A)
 &rst
  ixpk= 2233, nxpk= 20, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 77 VAL  HN           76 LEU  HN          5.50    (#    257:10  Unique         4.22, 4.29 A)
 &rst
  ixpk= 257, nxpk= 10, iat=1157,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HN           76 LEU  MDX         4.50    (#   1307:20  Unique         3.12, 4.80 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 83 VAL  MGY          76 LEU  MDX         3.50    (#   1312:20  Unique         2.21, 5.48 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1254,1255,1256,1258,1259,1260,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 86 THR  HB           76 LEU  MDX         5.50    (#   2632:20  Unique         4.10, 5.22 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1147,1148,1149,1151,1152,1153,
 &end
#
# 76 LEU  MDX          87 SER  HN          3.50    (#    234:10  Unique         3.00, 4.71 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1147,1148,1149,1151,1152,1153,
 &end
#
# 77 VAL  HA           77 VAL  HB          5.50    (#   2527:20  Unique         3.03, 3.05 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=1159,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HA           77 VAL  HN          3.50    (#   1167:10  Unique         2.96, 2.99 A)
 &rst
  ixpk= 1167, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 77 VAL  MGX          77 VAL  HA          2.80    (#   1944:20  Unique         2.32, 3.11 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  HA           77 VAL  MGY         2.80    (#   1516:20  Unique         2.32, 3.11 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  HA           78 LEU  HN          2.80    (#     33:10  Unique         2.08, 2.12 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  HB           77 VAL  HN          2.80    (#    226:10  Unique         2.54, 2.69 A)
 &rst
  ixpk= 226, nxpk= 10, iat=1161,1157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  HB           84 VAL  HN          4.50    (#   1199:10  Unique         3.72, 3.94 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=1161,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 VAL  HB           84 VAL  MGX         2.80    (#   1722:20  Unique         2.28, 4.60 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 85 GLU  HB-          77 VAL  HB          2.80    (#    932:20  Unique         2.04, 2.95 A)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1284,1285,
 &end
#
# 77 VAL  HB           85 GLU  HN          2.80    (#    375:10  Unique         2.60, 2.74 A)
 &rst
  ixpk= 375, nxpk= 10, iat=1161,1280, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  HN           77 VAL  MGX         4.50    (#   1562:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  HN           77 VAL  MGY         3.50    (#   1513:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  HN           78 LEU  HN          5.50    (#    784:10  Unique         4.13, 4.28 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1157,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HN           84 VAL  HN          4.50    (#   1195:10  Unique         4.00, 4.31 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=1157,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  MGX          77 VAL  HN          5.50    (#   1165:10  Unique         4.51, 6.51 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1270,1271,1272,1274,1275,1276,
 &end
#
# 85 GLU  HA           77 VAL  HN          5.50    (#   1168:10  Unique         4.51, 4.60 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=1282,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HN           85 GLU  HB+         4.50    (#   2298:20  Unique         2.81, 4.11 A)
 &rst
  ixpk= 2298, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1284,1285,
 &end
#
# 85 GLU  HB-          77 VAL  HN          4.50    (#   1166:10  Unique         2.81, 4.11 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1284,1285,
 &end
#
# 77 VAL  HN           85 GLU  HN          3.00    (#    372:10  Unique         2.68, 2.91 A)
 &rst
  ixpk= 372, nxpk= 10, iat=1157,1280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 78 LEU  HN           77 VAL  MGX         2.80    (#   1561:20  Unique         2.86, 4.39 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  MGX          84 VAL  MGX         2.80    (#   1726:20  Unique         2.31, 5.86 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1163,1164,1165,1167,1168,1169,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 85 GLU  HB-          77 VAL  MGX         3.50    (#   1564:20  Unique         2.33, 4.64 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1284,1285,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  MGX          85 GLU  HN          3.50    (#    751:10  Unique         4.04, 4.96 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1163,1164,1165,1167,1168,1169,
 &end
#
# 78 LEU  HN           77 VAL  MGY         4.50    (#   1512:20  Unique         2.86, 4.39 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 84 VAL  MGX          77 VAL  MGY         3.50    (#   1522:20  Unique         2.31, 5.86 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 77 VAL  MGY          85 GLU  HB+         3.50    (#    839:20  Unique         2.33, 4.64 A)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1163,1164,1165,1167,1168,1169,
 igr2=1284,1285,
 &end
#
# 85 GLU  HB-          77 VAL  MGY         2.80    (#   1519:20  Unique         2.33, 4.64 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1284,1285,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 85 GLU  HG+          77 VAL  MGY         4.50    (#   1518:20  Unique         2.67, 4.63 A)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1287,1288,
 igr2=1163,1164,1165,1167,1168,1169,
 &end
#
# 78 LEU  HA           78 LEU  HB+         3.50    (#    447:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 447, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1177,1178,
 &end
#
# 78 LEU  HA           78 LEU  HB-         4.50    (#   2492:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 2492, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1177,1178,
 &end
#
# 78 LEU  HA           78 LEU  HG          3.50    (#   1052:20  Unique         2.29, 2.37 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=1175,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78 LEU  HA           78 LEU  HN          3.50    (#    787:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 787, nxpk= 10, iat=1175,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78 LEU  HA           79 LYS  HN          2.80    (#    294:10  Unique         2.21, 2.25 A)
 &rst
  ixpk= 294, nxpk= 10, iat=1175,1192, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 78 LEU  HA           82 GLU  HN          4.50    (#   1185:10  Unique         4.27, 4.40 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=1175,1233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 LEU  HA           83 VAL  HA          2.80    (#     55:20  Unique         2.07, 2.21 A)
 &rst
  ixpk= 55, nxpk= 20, iat=1175,1250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 78 LEU  HA           83 VAL  HN          5.50    (#   1021:10  Unique         4.30, 4.48 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=1175,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 LEU  HA           83 VAL  MGX         5.50    (#   2482:20  Unique         3.82, 5.06 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 78 LEU  HA           83 VAL  MGY         4.50    (#   2483:20  Unique         3.82, 5.06 A)
 &rst
  ixpk= 2483, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 78 LEU  HA           84 VAL  HN          2.80    (#    209:10  Unique         2.14, 2.35 A)
 &rst
  ixpk= 209, nxpk= 10, iat=1175,1264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 78 LEU  HA           84 VAL  MGX         4.50    (#   1716:20  Unique         2.70, 5.03 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 78 LEU  HA           84 VAL  MGY         4.50    (#   2480:20  Unique         2.70, 5.03 A)
 &rst
  ixpk= 2480, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 78 LEU  HA           85 GLU  HN          4.50    (#    742:10  Unique         3.94, 4.04 A)
 &rst
  ixpk= 742, nxpk= 10, iat=1175,1280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 LEU  HN           78 LEU  HB+         5.50    (#   2201:20  Unique         2.59, 3.21 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
# 78 LEU  MDY          78 LEU  HB+         2.80    (#    450:20  Unique         2.34, 3.32 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1182,1183,1184,1186,1187,1188,
 igr2=1177,1178,
 &end
#
# 79 LYS  HN           78 LEU  HB+         4.50    (#    446:20  Unique         2.65, 3.39 A)
 &rst
  ixpk= 446, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1177,1178,
 &end
#
# 78 LEU  HB+          81 GLY  HN          3.50    (#   1179:10  Unique         3.11, 3.99 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1177,1178,
 &end
#
# 78 LEU  HB-          78 LEU  HN          2.80    (#     34:10  Unique         2.59, 3.21 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1177,1178,
 &end
#
# 79 LYS  HN           78 LEU  HB-         5.50    (#   2199:20  Unique         2.65, 3.39 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
# 78 LEU  HB-          81 GLY  HN          5.50    (#   1180:10  Unique         3.11, 3.99 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
# 78 LEU  HN           78 LEU  HG          5.50    (#   2218:20  Unique         3.67, 3.79 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=1173,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 LEU  MDY          78 LEU  HG          2.80    (#   1054:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1182,1183,1184,1186,1187,1188,
 &end
#
# 79 LYS  HN           78 LEU  HG          5.50    (#   2219:20  Unique         4.02, 4.23 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=1192,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 83 VAL  HA           78 LEU  HG          3.50    (#   1053:20  Unique         2.02, 2.09 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1250,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  MGX          78 LEU  HG          4.50    (#   2847:20  Unique         2.26, 3.89 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1254,1255,1256,1258,1259,1260,
 &end
#
# 78 LEU  HG           83 VAL  MGY         2.80    (#   1384:20  Unique         2.26, 3.89 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 84 VAL  HN           78 LEU  HG          5.50    (#   2217:20  Unique         3.54, 3.67 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=1264,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 LEU  HN           79 LYS  HN          5.50    (#   1082:10  Unique         4.36, 4.39 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1173,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 VAL  MGX          78 LEU  HN          5.50    (#    790:10  Unique         3.77, 6.29 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1270,1271,1272,1274,1275,1276,
 &end
#
# 78 LEU  MDY          81 GLY  HA+         4.50    (#   2889:20  Unique         3.22, 6.59 A)
 &rst
  ixpk= 2889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1182,1183,1184,1186,1187,1188,
 igr2=1228,1229,
 &end
#
# 78 LEU  MDY          81 GLY  HA-         5.50    (#   2898:20  Unique         3.22, 6.59 A)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1182,1183,1184,1186,1187,1188,
 igr2=1228,1229,
 &end
#
# 78 LEU  MDY          83 VAL  HN          3.50    (#   1017:10  Unique         3.17, 5.30 A)
 &rst
  ixpk= 1017, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1182,1183,1184,1186,1187,1188,
 &end
#
# 78 LEU  MDY          83 VAL  MGY         2.80    (#   1387:20  Unique         2.44, 5.35 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1182,1183,1184,1186,1187,1188,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 79 LYS  HB+          79 LYS  HA          2.80    (#   1988:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1196,1197,
 &end
#
# 79 LYS  HA           79 LYS  HN          3.50    (#    295:10  Unique         2.95, 2.98 A)
 &rst
  ixpk= 295, nxpk= 10, iat=1194,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 79 LYS  HA           80 ASP  HA          4.50    (#   2564:20  Unique         4.19, 4.26 A)
 &rst
  ixpk= 2564, nxpk= 20, iat=1194,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HA           80 ASP  HN          2.80    (#     23:10  Unique         1.99, 2.05 A)
 &rst
  ixpk= 23, nxpk= 10, iat=1194,1214, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 LYS  HA           81 GLY  HN          4.50    (#   1184:10  Unique         3.60, 3.79 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=1194,1226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HA           82 GLU  HN          5.50    (#   1186:10  Unique         4.56, 4.64 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=1194,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 LYS  HN           79 LYS  HB+         4.50    (#   2212:20  Unique         2.57, 3.08 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1196,1197,
 &end
#
# 79 LYS  HB+          80 ASP  HN          4.50    (#   1175:10  Unique         3.45, 4.08 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1196,1197,
 &end
#
# 84 VAL  MGX          79 LYS  HB+         4.50    (#    715:20  Unique         2.17, 4.31 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1196,1197,
 &end
#
# 84 VAL  MGY          79 LYS  HB+         4.50    (#    714:20  Unique         2.17, 4.31 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1196,1197,
 &end
#
# 79 LYS  HB-          79 LYS  HN          2.80    (#    296:10  Unique         2.57, 3.08 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1196,1197,
 &end
#
# 84 VAL  MGX          79 LYS  HB-         4.50    (#   2855:20  Unique         2.17, 4.31 A)
 &rst
  ixpk= 2855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1196,1197,
 &end
#
# 84 VAL  MGY          79 LYS  HB-         3.50    (#    709:20  Unique         2.17, 4.31 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1196,1197,
 &end
#
# 84 VAL  MGX          79 LYS  HD+         5.50    (#   2850:20  Unique         2.35, 4.21 A)
 &rst
  ixpk= 2850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1202,1203,
 &end
#
# 79 LYS  HE+          79 LYS  HG-         3.50    (#   1245:20  Unique         2.38, 3.15 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1205,1206,
 igr2=1199,1200,
 &end
#
# 84 VAL  MGY          79 LYS  HG+         3.50    (#   1243:20  Unique         2.25, 5.35 A)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1199,1200,
 &end
#
# 79 LYS  HN           81 GLY  HN          5.50    (#    627:10  Unique         3.40, 3.76 A)
 &rst
  ixpk= 627, nxpk= 10, iat=1192,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 GLU  HN           79 LYS  HN          2.80    (#    293:10  Unique         2.66, 2.82 A)
 &rst
  ixpk= 293, nxpk= 10, iat=1233,1192, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 LYS  HN           83 VAL  HA          4.50    (#   2083:20  Unique         3.63, 3.80 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=1192,1250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HN           84 VAL  HN          3.80    (#   1194:10  Unique         3.56, 3.63 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=1192,1264, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 LYS  HN           84 VAL  MGX         4.50    (#   1714:20  Unique         2.42, 4.96 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 79 LYS  HN           84 VAL  MGY         3.50    (#   2236:20  Unique         2.42, 4.96 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 8 ASP  HA            8 ASP  HB+         2.80    (#    552:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 116, 117,
 &end
#
# 8 ASP  HA            8 ASP  HN          2.80    (#    264:10  Unique         2.68, 2.73 A)
 &rst
  ixpk= 264, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 8 ASP  HA            9 GLN  HN          4.50    (#    688:10  Unique         3.47, 3.49 A)
 &rst
  ixpk= 688, nxpk= 10, iat= 114, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8 ASP  HN            8 ASP  HB+         2.80    (#    551:20  Unique         2.25, 2.50 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 116, 117,
 &end
#
# 9 GLN  HA            8 ASP  HB+         5.50    (#   2594:20  Unique         4.17, 4.98 A)
 &rst
  ixpk= 2594, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 116, 117,
 &end
#
# 8 ASP  HB+           9 GLN  HN          2.80    (#    482:10  Unique         2.79, 3.42 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 116, 117,
 &end
#
# 9 GLN  HN            8 ASP  HN          3.50    (#    683:10  Unique         2.81, 2.91 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 124, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 ASP  HA           80 ASP  HB+         3.50    (#    602:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 602, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1218,1219,
 &end
#
# 80 ASP  HA           80 ASP  HB-         2.80    (#    595:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 595, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1218,1219,
 &end
#
# 80 ASP  HA           80 ASP  HN          2.80    (#     26:10  Unique         2.25, 2.26 A)
 &rst
  ixpk= 26, nxpk= 10, iat=1216,1214, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 81 GLY  HN           80 ASP  HA          3.50    (#    279:20  Unique         2.73, 2.84 A)
 &rst
  ixpk= 279, nxpk= 20, iat=1226,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 ASP  HB+          80 ASP  HN          5.50    (#   1174:10  Unique         2.89, 3.23 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1218,1219,
 &end
#
# 80 ASP  HB-          80 ASP  HN          4.50    (#   1173:10  Unique         2.89, 3.23 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1218,1219,
 &end
#
# 80 ASP  HB-          81 GLY  HN          5.50    (#   1181:10  Unique         4.18, 4.45 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1218,1219,
 &end
#
# 80 ASP  HN           81 GLY  HN          2.80    (#    628:10  Unique         2.83, 2.87 A)
 &rst
  ixpk= 628, nxpk= 10, iat=1214,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 81 GLY  HA+          81 GLY  HN          2.80    (#    631:10  Unique         2.28, 2.63 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1228,1229,
 &end
#
# 81 GLY  HA+          82 GLU  HN          3.50    (#   1189:10  Unique         3.34, 3.42 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1228,1229,
 &end
#
# 81 GLY  HN           81 GLY  HA-         3.50    (#    405:20  Unique         2.28, 2.63 A)
 &rst
  ixpk= 405, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1228,1229,
 &end
#
# 81 GLY  HA-          82 GLU  HN          3.50    (#   1187:10  Unique         3.34, 3.42 A)
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1228,1229,
 &end
#
# 81 GLY  HN           82 GLU  HN          2.80    (#    237:10  Unique         2.57, 2.71 A)
 &rst
  ixpk= 237, nxpk= 10, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 82 GLU  HA           82 GLU  HB+         3.50    (#    957:20  Unique         2.26, 2.44 A)
 &rst
  ixpk= 957, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1237,1238,
 &end
#
# 82 GLU  HA           82 GLU  HB-         2.80    (#    950:20  Unique         2.26, 2.44 A)
 &rst
  ixpk= 950, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1237,1238,
 &end
#
# 82 GLU  HA           82 GLU  HG+         4.50    (#    706:20  Unique         3.45, 3.80 A)
 &rst
  ixpk= 706, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1240,1241,
 &end
#
# 82 GLU  HA           82 GLU  HG-         3.50    (#    707:20  Unique         3.45, 3.80 A)
 &rst
  ixpk= 707, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1240,1241,
 &end
#
# 82 GLU  HA           82 GLU  HN          3.50    (#    239:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 239, nxpk= 10, iat=1235,1233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 82 GLU  HA           83 VAL  HN          2.80    (#    113:10  Unique         2.25, 2.32 A)
 &rst
  ixpk= 113, nxpk= 10, iat=1235,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 82 GLU  HA           83 VAL  MGY         4.50    (#   1379:20  Unique         3.71, 5.79 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 82 GLU  HG+          82 GLU  HB+         2.80    (#    958:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1240,1241,
 igr2=1237,1238,
 &end
#
# 82 GLU  HB+          82 GLU  HN          2.80    (#    240:10  Unique         2.28, 3.34 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1237,1238,
 &end
#
# 83 VAL  HN           82 GLU  HB+         3.50    (#   2182:20  Unique         2.79, 3.59 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1237,1238,
 &end
#
# 82 GLU  HG+          82 GLU  HB-         2.80    (#    951:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1240,1241,
 igr2=1237,1238,
 &end
#
# 82 GLU  HB-          82 GLU  HN          2.80    (#    236:10  Unique         2.28, 3.34 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1237,1238,
 &end
#
# 82 GLU  HG+          82 GLU  HN          4.50    (#   1190:10  Unique         2.34, 3.04 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1240,1241,
 &end
#
# 82 GLU  HG+          83 VAL  HN          4.50    (#   1020:10  Unique         3.12, 4.25 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1240,1241,
 &end
#
# 82 GLU  HG+          84 VAL  HB          4.50    (#    781:20  Unique         3.54, 4.14 A)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1240,1241,
 &end
#
# 84 VAL  MGY          82 GLU  HG+         5.50    (#   2857:20  Unique         2.16, 5.99 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1240,1241,
 &end
#
# 82 GLU  HN           82 GLU  HG-         3.50    (#    716:20  Unique         2.34, 3.04 A)
 &rst
  ixpk= 716, nxpk= 20, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1240,1241,
 &end
#
# 83 VAL  HN           82 GLU  HG-         5.50    (#   2190:20  Unique         3.12, 4.25 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1240,1241,
 &end
#
# 84 VAL  MGY          82 GLU  HG-         4.50    (#   2856:20  Unique         2.16, 5.99 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1240,1241,
 &end
#
# 84 VAL  MGY          82 GLU  HN          5.50    (#   1193:10  Unique         3.99, 7.21 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1270,1271,1272,1274,1275,1276,
 &end
#
# 83 VAL  HB           83 VAL  HA          3.50    (#     56:20  Unique         2.41, 2.95 A)
 &rst
  ixpk= 56, nxpk= 20, iat=1252,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HA           83 VAL  HN          3.50    (#    114:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 114, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HA           83 VAL  MGX         2.80    (#   1464:20  Unique         2.36, 3.20 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  HA           83 VAL  MGY         2.80    (#   1380:20  Unique         2.36, 3.20 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  HA           84 VAL  HN          2.80    (#    210:10  Unique         2.05, 2.10 A)
 &rst
  ixpk= 210, nxpk= 10, iat=1250,1264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 83 VAL  HA           84 VAL  MGX         4.50    (#   1718:20  Unique         3.90, 5.69 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 83 VAL  HA           85 GLU  HN          3.50    (#    374:10  Unique         3.54, 3.57 A)
 &rst
  ixpk= 374, nxpk= 10, iat=1250,1280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HB           83 VAL  HN          2.80    (#    115:10  Unique         2.47, 2.56 A)
 &rst
  ixpk= 115, nxpk= 10, iat=1252,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 83 VAL  HB           83 VAL  MGX         2.80    (#   1426:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  HB           83 VAL  MGY         2.80    (#   1381:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  HB           84 VAL  HN          4.50    (#   1201:10  Unique         4.14, 4.25 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=1252,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  MGX          83 VAL  HN          4.50    (#    117:10  Unique         1.94, 3.82 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  MGY          83 VAL  HN          2.80    (#    116:10  Unique         1.94, 3.82 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  HN           84 VAL  HN          4.50    (#    207:10  Unique         4.38, 4.50 A)
 &rst
  ixpk= 207, nxpk= 10, iat=1248,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  HN           83 VAL  MGX         3.50    (#   1465:20  Unique         3.06, 4.37 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  MGX          85 GLU  HN          2.80    (#    376:10  Unique         2.71, 4.56 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  MGY          84 VAL  HN          3.50    (#   1197:10  Unique         3.06, 4.37 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1254,1255,1256,1258,1259,1260,
 &end
#
# 83 VAL  MGY          85 GLU  HN          4.50    (#    748:10  Unique         2.71, 4.56 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1254,1255,1256,1258,1259,1260,
 &end
#
# 84 VAL  HA           84 VAL  HB          2.80    (#    803:20  Unique         2.30, 2.45 A)
 &rst
  ixpk= 803, nxpk= 20, iat=1266,1268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 84 VAL  HA           84 VAL  HN          3.50    (#   1196:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 84 VAL  HA           84 VAL  MGX         3.50    (#   1717:20  Unique         2.39, 3.50 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  HA           84 VAL  MGY         2.80    (#   1467:20  Unique         2.39, 3.50 A)
 &rst
  ixpk= 1467, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  HA           85 GLU  HN          4.50    (#    740:10  Unique         3.58, 3.63 A)
 &rst
  ixpk= 740, nxpk= 10, iat=1266,1280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  HB           84 VAL  HN          4.50    (#   1200:10  Unique         2.78, 2.98 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=1268,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  HB           84 VAL  MGX         2.80    (#   1720:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  MGX          84 VAL  HN          2.80    (#    212:10  Unique         2.17, 3.84 A)
 &rst
  ixpk= 212, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  HN           84 VAL  MGY         3.50    (#   1466:20  Unique         2.17, 3.84 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  HN           85 GLU  HN          2.80    (#    371:10  Unique         2.07, 2.17 A)
 &rst
  ixpk= 371, nxpk= 10, iat=1264,1280, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 85 GLU  HG+          84 VAL  MGX         5.50    (#   2685:20  Unique         2.31, 5.72 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1287,1288,
 igr2=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  MGX          85 GLU  HG-         4.50    (#   2854:20  Unique         2.31, 5.72 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1287,1288,
 &end
#
# 84 VAL  MGX          85 GLU  HN          2.80    (#    377:10  Unique         2.76, 4.37 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1270,1271,1272,1274,1275,1276,
 &end
#
# 84 VAL  MGX          99 LEU  MDX         5.50    (#   1324:20  Unique         5.08, 9.20 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 85 GLU  HB+          85 GLU  HA          4.50    (#   2785:20  Unique         2.19, 2.68 A)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1284,1285,
 &end
#
# 85 GLU  HB-          85 GLU  HA          4.50    (#   2786:20  Unique         2.19, 2.68 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1284,1285,
 &end
#
# 85 GLU  HG+          85 GLU  HA          5.50    (#   2787:20  Unique         2.99, 3.65 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1287,1288,
 &end
#
# 85 GLU  HA           85 GLU  HN          3.50    (#    373:10  Unique         2.88, 2.93 A)
 &rst
  ixpk= 373, nxpk= 10, iat=1282,1280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85 GLU  HA           86 THR  HN          2.80    (#    394:10  Unique         2.31, 2.35 A)
 &rst
  ixpk= 394, nxpk= 10, iat=1282,1295, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 85 GLU  HG+          85 GLU  HB+         3.50    (#    837:20  Unique         2.24, 2.58 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1287,1288,
 igr2=1284,1285,
 &end
#
# 85 GLU  HN           85 GLU  HB+         5.50    (#   2297:20  Unique         2.78, 3.34 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1284,1285,
 &end
#
# 85 GLU  HB+          86 THR  HN          3.50    (#   1205:10  Unique         2.46, 3.38 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1284,1285,
 &end
#
# 85 GLU  HB-          85 GLU  HN          3.50    (#    747:10  Unique         2.78, 3.34 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1284,1285,
 &end
#
# 85 GLU  HB-          86 THR  HN          3.50    (#    396:10  Unique         2.46, 3.38 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1284,1285,
 &end
#
# 99 LEU  MDX          85 GLU  HB-         3.50    (#    831:20  Unique         2.75, 5.49 A)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1506,1507,1508,1510,1511,1512,
 igr2=1284,1285,
 &end
#
# 85 GLU  HG+          85 GLU  HN          5.50    (#    745:10  Unique         3.32, 4.32 A)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1287,1288,
 &end
#
# 85 GLU  HG+          86 THR  HN          4.50    (#   1206:10  Unique         2.12, 3.92 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1287,1288,
 &end
#
# 85 GLU  HG+          99 LEU  HB+         5.50    (#   2697:20  Unique         3.04, 6.45 A)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1288,
 igr2=1501,1502,
 &end
#
# 85 GLU  HG+          99 LEU  MDX         5.50    (#   1334:20  Unique         2.28, 4.62 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1287,1288,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 85 GLU  HG+          99 LEU  MDY         5.50    (#   2693:20  Unique         2.28, 4.62 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1287,1288,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 85 GLU  HN           85 GLU  HG-         5.50    (#   2325:20  Unique         3.32, 4.32 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1287,1288,
 &end
#
# 85 GLU  HN           86 THR  HN          4.50    (#   1207:10  Unique         4.28, 4.37 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 THR  HB           86 THR  HN          2.80    (#    395:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 395, nxpk= 10, iat=1299,1295, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 86 THR  HB           86 THR  MG2         2.80    (#   1627:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1301,1302,1303,
 &end
#
# 86 THR  HB           87 SER  HN          4.50    (#    797:10  Unique         3.80, 4.00 A)
 &rst
  ixpk= 797, nxpk= 10, iat=1299,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 THR  HN           86 THR  MG2         4.50    (#   1625:20  Unique         4.58, 4.85 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1301,1302,1303,
 &end
#
# 86 THR  HN           87 SER  HN          4.50    (#    800:10  Unique         4.14, 4.27 A)
 &rst
  ixpk= 800, nxpk= 10, iat=1295,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87 SER  HN           86 THR  MG2         3.50    (#   1624:20  Unique         2.50, 3.59 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1301,1302,1303,
 &end
#
# 87 SER  HA           87 SER  HB+         2.80    (#     76:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1313,1314,
 &end
#
# 87 SER  HA           88 VAL  HN          2.80    (#     18:10  Unique         2.25, 2.37 A)
 &rst
  ixpk= 18, nxpk= 10, iat=1311,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 87 SER  HB+          87 SER  HN          2.80    (#    242:10  Unique         2.64, 3.32 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1313,1314,
 &end
#
# 87 SER  HB+          88 VAL  HN          4.50    (#   1211:10  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1313,1314,
 &end
#
# 99 LEU  MDY          87 SER  HB+         3.50    (#     79:20  Unique         3.24, 5.08 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1506,1507,1508,1510,1511,1512,
 igr2=1313,1314,
 &end
#
# 87 SER  HB-          87 SER  HN          2.80    (#    241:10  Unique         2.64, 3.32 A)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1313,1314,
 &end
#
# 87 SER  HB-          88 VAL  HN          4.50    (#   1212:10  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1313,1314,
 &end
#
# 87 SER  HB-          99 LEU  MDY         4.50    (#   1318:20  Unique         3.24, 5.08 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1313,1314,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 87 SER  HN           88 VAL  HN          5.50    (#     17:10  Unique         3.83, 4.35 A)
 &rst
  ixpk= 17, nxpk= 10, iat=1309,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 SER  HN           88 VAL  MGY         5.50    (#   2240:20  Unique         3.96, 6.01 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 88 VAL  HA           88 VAL  HB          3.00    (#    821:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 821, nxpk= 20, iat=1322,1324, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 88 VAL  HA           88 VAL  MGX         2.80    (#   1553:20  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 88 VAL  HA           88 VAL  MGY         2.80    (#   1615:20  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 88 VAL  HA           89 GLY  HN          2.80    (#    569:10  Unique         2.20, 2.23 A)
 &rst
  ixpk= 569, nxpk= 10, iat=1322,1336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88 VAL  HB           88 VAL  HN          2.80    (#     19:10  Unique         2.37, 2.62 A)
 &rst
  ixpk= 19, nxpk= 10, iat=1324,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88 VAL  HB           88 VAL  MGY         2.80    (#   1617:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 88 VAL  MGX          88 VAL  HN          3.50    (#   1208:10  Unique         2.26, 4.21 A)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
# 88 VAL  MGY          88 VAL  HN          2.80    (#     20:10  Unique         2.26, 4.21 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
# 91 LYS  HE-          88 VAL  HN          5.50    (#   1210:10  Unique         2.68, 3.97 A)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1376,1377,
 &end
#
# 89 GLY  HN           88 VAL  MGX         3.50    (#   1552:20  Unique         2.58, 4.17 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
# 88 VAL  MGY          89 GLY  HN          3.50    (#    571:10  Unique         2.58, 4.17 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
# 89 GLY  HA+          89 GLY  HN          2.80    (#    570:10  Unique         2.30, 2.63 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1338,1339,
 &end
#
# 89 GLY  HA+          90 PHE  HN          2.80    (#    356:10  Unique         2.42, 2.57 A)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1338,1339,
 &end
#
# 89 GLY  HN           89 GLY  HA-         3.50    (#    461:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 461, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1338,1339,
 &end
#
# 89 GLY  HA-          90 PHE  HN          2.80    (#    354:10  Unique         2.42, 2.57 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1338,1339,
 &end
#
# 9 GLN  HA            9 GLN  HB+         2.80    (#   1086:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 128, 129,
 &end
#
# 9 GLN  HA            9 GLN  HG-         2.80    (#    773:20  Unique         2.51, 2.99 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 131, 132,
 &end
#
# 9 GLN  HA            9 GLN  HN          2.80    (#    481:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 126, 124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 9 GLN  HB+           9 GLN  HN          2.80    (#    483:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 128, 129,
 &end
#
# 9 GLN  HE2+          9 GLN  HN          5.50    (#    686:10  Unique         3.35, 4.70 A)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 136, 137,
 &end
#
# 9 GLN  HG-           9 GLN  HN          4.50    (#    689:10  Unique         1.99, 2.71 A)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 131, 132,
 &end
#
# 90 PHE  HA           90 PHE  HB+         3.50    (#    615:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1345,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1347,1348,
 &end
#
# 90 PHE  HA           90 PHE  HB-         3.50    (#    611:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 611, nxpk= 20, iat=1345,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1347,1348,
 &end
#
# 90 PHE  HD           90 PHE  HA          3.50    (#    143:20  Unique         2.83, 3.62 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1351,1359,
 &end
#
# 90 PHE  HA           90 PHE  HN          3.50    (#    355:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 355, nxpk= 10, iat=1345,1343, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 91 LYS  HG+          90 PHE  HA          5.50    (#   2133:20  Unique         4.62, 6.01 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1370,1371,
 &end
#
# 90 PHE  HA           91 LYS  HN          2.80    (#     81:10  Unique         2.21, 2.32 A)
 &rst
  ixpk= 81, nxpk= 10, iat=1345,1363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 90 PHE  HD           90 PHE  HB+         3.50    (#    614:20  Unique         2.41, 3.08 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1351,1359,
 igr2=1347,1348,
 &end
#
# 90 PHE  HB+          90 PHE  HN          2.80    (#    358:10  Unique         2.36, 2.47 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1347,1348,
 &end
#
# 90 PHE  HD           90 PHE  HB-         3.50    (#    610:20  Unique         2.41, 3.08 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1351,1359,
 igr2=1347,1348,
 &end
#
# 90 PHE  HB-          90 PHE  HN          2.80    (#    357:10  Unique         2.36, 2.47 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1347,1348,
 &end
#
# 90 PHE  HB-          91 LYS  HN          5.50    (#   1224:10  Unique         3.78, 3.95 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1347,1348,
 &end
#
# 90 PHE  HD           90 PHE  HN          4.50    (#   1218:10  Unique         4.57, 4.71 A)
 &rst
  ixpk= 1218, nxpk= 10, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1351,1359,
 &end
#
# 90 PHE  HD           91 LYS  HN          4.50    (#   1220:10  Unique         3.25, 3.61 A)
 &rst
  ixpk= 1220, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1351,1359,
 &end
#
# 90 PHE  HD           92 PRO  HD+         5.50    (#   2374:20  Unique         3.28, 5.91 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1351,1359,
 igr2=1386,1387,
 &end
#
# 90 PHE  HE           92 PRO  HA          5.50    (#   2930:20  Unique         2.63, 4.00 A)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1353,1357,
 &end
#
# 90 PHE  HE           92 PRO  HB-         5.50    (#   2403:20  Unique         3.04, 5.71 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2=1392,1393,
 &end
#
# 90 PHE  HE           92 PRO  HD+         5.50    (#   2373:20  Unique         3.11, 5.87 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2=1386,1387,
 &end
#
# 90 PHE  HE           92 PRO  HD-         5.50    (#   2375:20  Unique         3.11, 5.87 A)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2=1386,1387,
 &end
#
# 90 PHE  HE           92 PRO  HG+         5.50    (#   2440:20  Unique         4.50, 6.96 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1357,
 igr2=1389,1390,
 &end
#
# 91 LYS  HN           90 PHE  HN          5.50    (#   1217:10  Unique         4.62, 4.66 A)
 &rst
  ixpk= 1217, nxpk= 10, iat=1363,1343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 PHE  HZ           92 PRO  HA          4.50    (#    135:20  Unique         2.96, 3.22 A)
 &rst
  ixpk= 135, nxpk= 20, iat=1355,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 90 PHE  HZ           92 PRO  HB-         5.50    (#   2404:20  Unique         4.35, 5.17 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1392,1393,
 &end
#
# 91 LYS  HA           91 LYS  HB+         3.50    (#    680:20  Unique         2.57, 2.86 A)
 &rst
  ixpk= 680, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1367,1368,
 &end
#
# 91 LYS  HA           91 LYS  HB-         4.50    (#    681:20  Unique         2.57, 2.86 A)
 &rst
  ixpk= 681, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1367,1368,
 &end
#
# 91 LYS  HA           91 LYS  HD+         3.80    (#   1095:20  Unique         2.10, 3.47 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1373,1374,
 &end
#
# 91 LYS  HA           91 LYS  HG+         3.50    (#   1284:20  Unique         2.21, 3.07 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1370,1371,
 &end
#
# 91 LYS  HA           91 LYS  HN          4.50    (#     80:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1365,1363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 91 LYS  HA           92 PRO  HD+         2.80    (#    369:20  Unique         2.23, 2.40 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1386,1387,
 &end
#
# 91 LYS  HA           92 PRO  HD-         2.80    (#    374:20  Unique         2.23, 2.40 A)
 &rst
  ixpk= 374, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1386,1387,
 &end
#
# 92 PRO  HG+          91 LYS  HA          5.50    (#   2780:20  Unique         4.45, 4.56 A)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1389,1390,
 &end
#
# 92 PRO  HG-          91 LYS  HA          5.50    (#   2779:20  Unique         4.45, 4.56 A)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1389,1390,
 &end
#
# 91 LYS  HN           91 LYS  HB+         5.50    (#   2490:20  Unique         2.58, 3.23 A)
 &rst
  ixpk= 2490, nxpk= 20, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1367,1368,
 &end
#
# 92 PRO  HD+          91 LYS  HB+         4.50    (#    678:20  Unique         2.60, 4.16 A)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1386,1387,
 igr2=1367,1368,
 &end
#
# 92 PRO  HD-          91 LYS  HB+         4.50    (#   2657:20  Unique         2.60, 4.16 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1386,1387,
 igr2=1367,1368,
 &end
#
# 91 LYS  HB-          91 LYS  HN          3.50    (#   1221:10  Unique         2.58, 3.23 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1367,1368,
 &end
#
# 92 PRO  HD+          91 LYS  HB-         5.50    (#   2659:20  Unique         2.60, 4.16 A)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1386,1387,
 igr2=1367,1368,
 &end
#
# 92 PRO  HD-          91 LYS  HB-         5.50    (#   2658:20  Unique         2.60, 4.16 A)
 &rst
  ixpk= 2658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1386,1387,
 igr2=1367,1368,
 &end
#
# 91 LYS  HB-          96 LEU  HG          4.50    (#   1186:20  Unique         2.22, 2.91 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1367,1368,
 &end
#
# 91 LYS  HD+          91 LYS  HE+         2.80    (#    508:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1373,1374,
 igr2=1376,1377,
 &end
#
# 91 LYS  HD+          92 PRO  HD+         5.50    (#   2775:20  Unique         2.32, 5.16 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1373,1374,
 igr2=1386,1387,
 &end
#
# 91 LYS  HD+          92 PRO  HD-         5.50    (#   2774:20  Unique         2.32, 5.16 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1373,1374,
 igr2=1386,1387,
 &end
#
# 91 LYS  HD-          91 LYS  HE+         4.50    (#    495:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1373,1374,
 igr2=1376,1377,
 &end
#
# 91 LYS  HD-          91 LYS  HE-         3.50    (#    497:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1373,1374,
 igr2=1376,1377,
 &end
#
# 91 LYS  HG+          91 LYS  HD-         2.80    (#   1099:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1370,1371,
 igr2=1373,1374,
 &end
#
# 91 LYS  HG+          91 LYS  HE+         2.80    (#    496:20  Unique         2.43, 3.17 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1370,1371,
 igr2=1376,1377,
 &end
#
# 91 LYS  HE+          95 ALA  MB          5.50    (#   2718:20  Unique         3.65, 6.38 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1376,1377,
 igr2=1440,1441,1442,
 &end
#
# 91 LYS  HN           91 LYS  HG+         5.50    (#   2484:20  Unique         3.90, 4.72 A)
 &rst
  ixpk= 2484, nxpk= 20, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1370,1371,
 &end
#
# 91 LYS  HG+          95 ALA  MB          2.80    (#   1699:20  Unique         2.35, 3.89 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1370,1371,
 igr2=1440,1441,1442,
 &end
#
# 92 PRO  HB+          92 PRO  HA          2.80    (#    137:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1392,1393,
 &end
#
# 92 PRO  HA           92 PRO  HB-         2.80    (#    848:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 848, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1392,1393,
 &end
#
# 92 PRO  HA           92 PRO  HG+         4.50    (#   2643:20  Unique         3.86, 3.98 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1389,1390,
 &end
#
# 92 PRO  HA           93 LYS  HN          2.80    (#    246:10  Unique         2.24, 2.33 A)
 &rst
  ixpk= 246, nxpk= 10, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 92 PRO  HA           94 GLU  HN          5.50    (#   1227:10  Unique         4.48, 4.57 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=1395,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 92 PRO  HD+          92 PRO  HB+         4.50    (#   2604:20  Unique         2.90, 3.71 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1386,1387,
 igr2=1392,1393,
 &end
#
# 92 PRO  HD-          92 PRO  HB+         4.50    (#   2605:20  Unique         2.90, 3.71 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1386,1387,
 igr2=1392,1393,
 &end
#
# 92 PRO  HG-          92 PRO  HB+         3.50    (#    855:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1389,1390,
 igr2=1392,1393,
 &end
#
# 92 PRO  HB+          93 LYS  HN          2.80    (#    249:10  Unique         2.70, 3.17 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1392,1393,
 &end
#
# 94 GLU  HN           92 PRO  HB+         4.50    (#    851:20  Unique         2.84, 3.74 A)
 &rst
  ixpk= 851, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1392,1393,
 &end
#
# 92 PRO  HB+          95 ALA  HN          4.50    (#    840:10  Unique         3.05, 4.07 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1392,1393,
 &end
#
# 92 PRO  HB+          95 ALA  MB          5.50    (#   2716:20  Unique         4.17, 5.43 A)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1392,1393,
 igr2=1440,1441,1442,
 &end
#
# 92 PRO  HB-          92 PRO  HD+         4.50    (#   2722:20  Unique         2.90, 3.71 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1392,1393,
 igr2=1386,1387,
 &end
#
# 92 PRO  HD-          92 PRO  HB-         4.50    (#   2603:20  Unique         2.90, 3.71 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1386,1387,
 igr2=1392,1393,
 &end
#
# 92 PRO  HB-          92 PRO  HG+         2.80    (#   2818:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 2818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1392,1393,
 igr2=1389,1390,
 &end
#
# 92 PRO  HB-          92 PRO  HG-         3.50    (#   1147:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1392,1393,
 igr2=1389,1390,
 &end
#
# 93 LYS  HN           92 PRO  HB-         4.50    (#    847:20  Unique         2.70, 3.17 A)
 &rst
  ixpk= 847, nxpk= 20, iat=1399,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1392,1393,
 &end
#
# 94 GLU  HN           92 PRO  HB-         5.50    (#   2186:20  Unique         2.84, 3.74 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1392,1393,
 &end
#
# 95 ALA  HN           92 PRO  HB-         5.50    (#   2402:20  Unique         3.05, 4.07 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1392,1393,
 &end
#
# 92 PRO  HD+          92 PRO  HG+         3.50    (#   1140:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1386,1387,
 igr2=1389,1390,
 &end
#
# 92 PRO  HD+          92 PRO  HG-         3.50    (#   1145:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1386,1387,
 igr2=1389,1390,
 &end
#
# 92 PRO  HD+          95 ALA  MB          4.50    (#   2623:20  Unique         2.32, 3.79 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1386,1387,
 igr2=1440,1441,1442,
 &end
#
# 92 PRO  HG+          92 PRO  HD-         3.50    (#    376:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1389,1390,
 igr2=1386,1387,
 &end
#
# 92 PRO  HD-          92 PRO  HG-         2.80    (#   1146:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1386,1387,
 igr2=1389,1390,
 &end
#
# 95 ALA  HN           92 PRO  HD-         5.50    (#   2372:20  Unique         3.91, 4.60 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1386,1387,
 &end
#
# 92 PRO  HD-          95 ALA  MB          3.50    (#   1695:20  Unique         2.32, 3.79 A)
 &rst
  ixpk= 1695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1386,1387,
 igr2=1440,1441,1442,
 &end
#
# 92 PRO  HG+          95 ALA  HN          4.50    (#    839:10  Unique         2.33, 3.27 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1389,1390,
 &end
#
# 95 ALA  MB           92 PRO  HG+         4.50    (#   1143:20  Unique         2.29, 3.68 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1440,1441,1442,
 igr2=1389,1390,
 &end
#
# 94 GLU  HN           92 PRO  HG-         5.50    (#   2226:20  Unique         3.84, 4.57 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1389,1390,
 &end
#
# 92 PRO  HG-          95 ALA  HN          3.50    (#    224:10  Unique         2.33, 3.27 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1389,1390,
 &end
#
# 92 PRO  HG-          95 ALA  MB          3.50    (#   1698:20  Unique         2.29, 3.68 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1389,1390,
 igr2=1440,1441,1442,
 &end
#
# 93 LYS  HA           93 LYS  HB+         3.50    (#    873:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 873, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1403,1404,
 &end
#
# 93 LYS  HA           93 LYS  HB-         3.50    (#    862:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 862, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1403,1404,
 &end
#
# 93 LYS  HD+          93 LYS  HA          4.50    (#    128:20  Unique         2.27, 4.39 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1409,1410,
 &end
#
# 93 LYS  HG+          93 LYS  HA          3.50    (#    151:20  Unique         2.42, 2.84 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1406,1407,
 &end
#
# 93 LYS  HA           93 LYS  HN          2.80    (#    247:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 247, nxpk= 10, iat=1401,1399, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 93 LYS  HA           94 GLU  HN          4.50    (#   1228:10  Unique         3.54, 3.58 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=1401,1421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 93 LYS  HA           96 LEU  HB+         5.50    (#   2662:20  Unique         2.40, 3.46 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1450,1451,
 &end
#
# 93 LYS  HA           96 LEU  HB-         4.50    (#   2663:20  Unique         2.40, 3.46 A)
 &rst
  ixpk= 2663, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1450,1451,
 &end
#
# 96 LEU  HN           93 LYS  HA          5.50    (#   2139:20  Unique         3.44, 3.58 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=1446,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93 LYS  HA           96 LEU  MDX         4.50    (#   1226:20  Unique         2.26, 4.66 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 93 LYS  HA           97 GLN  HN          5.50    (#    970:10  Unique         3.97, 4.07 A)
 &rst
  ixpk= 970, nxpk= 10, iat=1401,1465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93 LYS  HE+          93 LYS  HB+         5.50    (#   2701:20  Unique         2.22, 4.31 A)
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1412,1413,
 igr2=1403,1404,
 &end
#
# 93 LYS  HB+          93 LYS  HN          2.80    (#    251:10  Unique         2.16, 2.44 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1403,1404,
 &end
#
# 93 LYS  HB+          94 GLU  HN          3.50    (#    472:10  Unique         2.22, 3.12 A)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1403,1404,
 &end
#
# 93 LYS  HB-          93 LYS  HD+         2.80    (#   1048:20  Unique         2.20, 2.87 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1403,1404,
 igr2=1409,1410,
 &end
#
# 93 LYS  HE+          93 LYS  HB-         5.50    (#   2702:20  Unique         2.22, 4.31 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1412,1413,
 igr2=1403,1404,
 &end
#
# 93 LYS  HB-          93 LYS  HG+         2.80    (#   1301:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1403,1404,
 igr2=1406,1407,
 &end
#
# 93 LYS  HB-          93 LYS  HN          2.80    (#    250:10  Unique         2.16, 2.44 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1403,1404,
 &end
#
# 94 GLU  HN           93 LYS  HB-         4.50    (#   2185:20  Unique         2.22, 3.12 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1403,1404,
 &end
#
# 93 LYS  HE+          93 LYS  HD+         2.80    (#   2709:20  Unique         2.35, 2.74 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1412,1413,
 igr2=1409,1410,
 &end
#
# 93 LYS  HD+          93 LYS  HE-         2.80    (#    544:20  Unique         2.35, 2.74 A)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1409,1410,
 igr2=1412,1413,
 &end
#
# 93 LYS  HG+          93 LYS  HD+         2.80    (#   1051:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1406,1407,
 igr2=1409,1410,
 &end
#
# 93 LYS  HE+          94 GLU  HN          5.50    (#   1229:10  Unique         3.81, 6.00 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1412,1413,
 &end
#
# 93 LYS  HG+          93 LYS  HE-         3.50    (#    545:20  Unique         2.21, 2.95 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1406,1407,
 igr2=1412,1413,
 &end
#
# 93 LYS  HG+          94 GLU  HA          5.50    (#   2142:20  Unique         3.37, 4.40 A)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1406,1407,
 &end
#
# 93 LYS  HG+          94 GLU  HN          3.50    (#   1231:10  Unique         3.37, 4.14 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1406,1407,
 &end
#
# 93 LYS  HG+          97 GLN  HG+         5.50    (#   2798:20  Unique         2.76, 4.24 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1406,1407,
 igr2=1472,1473,
 &end
#
# 93 LYS  HG+          97 GLN  HG-         5.50    (#   2799:20  Unique         2.76, 4.24 A)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1406,1407,
 igr2=1472,1473,
 &end
#
# 93 LYS  HG+          97 GLN  HN          5.50    (#    964:10  Unique         4.27, 4.73 A)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1406,1407,
 &end
#
# 93 LYS  HN           94 GLU  HN          3.50    (#    466:10  Unique         2.89, 2.98 A)
 &rst
  ixpk= 466, nxpk= 10, iat=1399,1421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 94 GLU  HA           94 GLU  HG+         3.50    (#    669:20  Unique         2.43, 2.94 A)
 &rst
  ixpk= 669, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1428,1429,
 &end
#
# 94 GLU  HA           94 GLU  HN          2.80    (#    468:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 468, nxpk= 10, iat=1423,1421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 94 GLU  HA           95 ALA  HN          4.50    (#    843:10  Unique         3.56, 3.60 A)
 &rst
  ixpk= 843, nxpk= 10, iat=1423,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 94 GLU  HA           96 LEU  HN          5.50    (#    998:10  Unique         4.37, 4.48 A)
 &rst
  ixpk= 998, nxpk= 10, iat=1423,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94 GLU  HA           97 GLN  HB-         3.50    (#   1087:20  Unique         2.55, 3.83 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1469,1470,
 &end
#
# 94 GLU  HA           97 GLN  HG+         5.50    (#   2599:20  Unique         2.36, 4.19 A)
 &rst
  ixpk= 2599, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1472,1473,
 &end
#
# 94 GLU  HA           97 GLN  HG-         5.50    (#   2600:20  Unique         2.36, 4.19 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1472,1473,
 &end
#
# 94 GLU  HA           97 GLN  HN          3.50    (#    974:10  Unique         3.38, 3.50 A)
 &rst
  ixpk= 974, nxpk= 10, iat=1423,1465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 94 GLU  HA           98 GLU  HN          5.50    (#    909:10  Unique         3.78, 4.08 A)
 &rst
  ixpk= 909, nxpk= 10, iat=1423,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94 GLU  HB+          94 GLU  HN          2.80    (#    471:10  Unique         2.33, 2.94 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1425,1426,
 &end
#
# 94 GLU  HB+          95 ALA  HN          3.50    (#    223:10  Unique         2.49, 3.15 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1425,1426,
 &end
#
# 94 GLU  HN           94 GLU  HG+         4.50    (#   2192:20  Unique         2.20, 3.29 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1428,1429,
 &end
#
# 95 ALA  HN           94 GLU  HG+         5.50    (#   2412:20  Unique         3.73, 4.70 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
# 94 GLU  HN           94 GLU  HG-         4.50    (#   2193:20  Unique         2.20, 3.29 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1428,1429,
 &end
#
# 95 ALA  HN           94 GLU  HG-         5.50    (#   2415:20  Unique         3.73, 4.70 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
# 95 ALA  HN           94 GLU  HN          2.80    (#    467:10  Unique         2.75, 2.82 A)
 &rst
  ixpk= 467, nxpk= 10, iat=1436,1421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 94 GLU  HN           95 ALA  MB          5.50    (#   2243:20  Unique         4.95, 5.58 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1440,1441,1442,
 &end
#
# 96 LEU  HN           94 GLU  HN          5.50    (#    465:10  Unique         4.07, 4.20 A)
 &rst
  ixpk= 465, nxpk= 10, iat=1446,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 ALA  HA           95 ALA  HN          2.80    (#    222:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 222, nxpk= 10, iat=1438,1436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 95 ALA  MB           95 ALA  HA          2.80    (#    319:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1440,1441,1442,
 &end
#
# 96 LEU  HN           95 ALA  HA          5.50    (#   2352:20  Unique         3.57, 3.58 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=1446,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 ALA  HA           97 GLN  HN          5.50    (#    975:10  Unique         4.43, 4.55 A)
 &rst
  ixpk= 975, nxpk= 10, iat=1438,1465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 98 GLU  HB+          95 ALA  HA          3.50    (#    316:20  Unique         2.31, 3.29 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1486,1487,
 &end
#
# 98 GLU  HG+          95 ALA  HA          5.50    (#   2783:20  Unique         3.53, 4.13 A)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1489,1490,
 &end
#
# 95 ALA  HA           98 GLU  HN          3.50    (#    408:10  Unique         3.28, 3.44 A)
 &rst
  ixpk= 408, nxpk= 10, iat=1438,1482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 95 ALA  HA           99 LEU  HN          5.50    (#   1240:10  Unique         4.07, 4.14 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=1438,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 ALA  HN           95 ALA  MB          2.80    (#   1693:20  Unique         2.39, 2.91 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1440,1441,1442,
 &end
#
# 95 ALA  HN           96 LEU  HN          2.80    (#    323:10  Unique         2.56, 2.69 A)
 &rst
  ixpk= 323, nxpk= 10, iat=1436,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 95 ALA  HN           97 GLN  HE2-        5.50    (#    594:10  Unique         4.87, 5.96 A)
 &rst
  ixpk= 594, nxpk= 10, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1477,1478,
 &end
#
# 95 ALA  HN           97 GLN  HN          4.50    (#    977:10  Unique         4.10, 4.29 A)
 &rst
  ixpk= 977, nxpk= 10, iat=1436,1465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 95 ALA  HN           98 GLU  HN          5.50    (#    406:10  Unique         4.57, 4.75 A)
 &rst
  ixpk= 406, nxpk= 10, iat=1436,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 96 LEU  HA           95 ALA  MB          5.50    (#   2622:20  Unique         4.33, 4.90 A)
 &rst
  ixpk= 2622, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1440,1441,1442,
 &end
#
# 96 LEU  HN           95 ALA  MB          3.50    (#   1692:20  Unique         2.62, 3.48 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1440,1441,1442,
 &end
#
# 98 GLU  HN           95 ALA  MB          5.50    (#   2454:20  Unique         5.26, 5.58 A)
 &rst
  ixpk= 2454, nxpk= 20, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1440,1441,1442,
 &end
#
# 96 LEU  HA           96 LEU  HB+         3.50    (#    537:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 537, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1450,1451,
 &end
#
# 96 LEU  HA           96 LEU  HB-         3.50    (#    531:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 531, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1450,1451,
 &end
#
# 96 LEU  HA           96 LEU  HG          5.50    (#   2641:20  Unique         2.23, 2.95 A)
 &rst
  ixpk= 2641, nxpk= 20, iat=1448,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 96 LEU  HA           96 LEU  HN          2.80    (#    324:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 324, nxpk= 10, iat=1448,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 96 LEU  HA           96 LEU  MDX         5.50    (#   2669:20  Unique         2.16, 3.84 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 96 LEU  MDY          96 LEU  HA          2.80    (#    258:20  Unique         2.16, 3.84 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1455,1456,1457,1459,1460,1461,
 &end
#
# 96 LEU  HA           97 GLN  HN          3.50    (#    973:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 973, nxpk= 10, iat=1448,1465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 99 LEU  MDY          96 LEU  HA          3.50    (#    249:20  Unique         2.55, 4.82 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1506,1507,1508,1510,1511,1512,
 &end
#
# 96 LEU  HB+          96 LEU  HG          3.50    (#   1200:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1450,1451,
 &end
#
# 96 LEU  HB+          96 LEU  HN          2.80    (#    327:10  Unique         2.27, 3.01 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1450,1451,
 &end
#
# 96 LEU  HB+          96 LEU  MDX         2.80    (#   1229:20  Unique         2.37, 3.31 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1450,1451,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 96 LEU  HB+          97 GLN  HN          3.50    (#    965:10  Unique         2.45, 3.02 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1450,1451,
 &end
#
# 96 LEU  HB-          96 LEU  HG          2.80    (#   1198:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1450,1451,
 &end
#
# 96 LEU  HB-          96 LEU  HN          2.80    (#    325:10  Unique         2.27, 3.01 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1450,1451,
 &end
#
# 96 LEU  HB-          97 GLN  HN          2.80    (#    345:10  Unique         2.45, 3.02 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1450,1451,
 &end
#
# 96 LEU  HN           96 LEU  HG          3.50    (#   1199:20  Unique         2.34, 2.52 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1446,1453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 96 LEU  HN           96 LEU  MDX         5.50    (#   1225:20  Unique         2.26, 4.43 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1455,1456,1457,1459,1460,1461,
 &end
#
# 96 LEU  HN           97 GLN  HN          2.80    (#    339:10  Unique         2.75, 2.81 A)
 &rst
  ixpk= 339, nxpk= 10, iat=1446,1465, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 GLN  HA           97 GLN  HB+         2.80    (#   1094:20  Unique         2.27, 2.77 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1469,1470,
 &end
#
# 97 GLN  HA           97 GLN  HG+         3.50    (#    753:20  Unique         2.59, 3.09 A)
 &rst
  ixpk= 753, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1472,1473,
 &end
#
# 97 GLN  HA           97 GLN  HG-         3.50    (#    777:20  Unique         2.59, 3.09 A)
 &rst
  ixpk= 777, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1472,1473,
 &end
#
# 97 GLN  HA           97 GLN  HN          2.80    (#    341:10  Unique         2.84, 2.86 A)
 &rst
  ixpk= 341, nxpk= 10, iat=1467,1465, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 GLN  HA           98 GLU  HN          3.50    (#    910:10  Unique         3.48, 3.56 A)
 &rst
  ixpk= 910, nxpk= 10, iat=1467,1482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 97 GLN  HA           99 LEU  HN          5.50    (#   1241:10  Unique         3.97, 4.25 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=1467,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 97 GLN  HB+          97 GLN  HN          2.80    (#    344:10  Unique         2.21, 3.07 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1469,1470,
 &end
#
# 98 GLU  HN           97 GLN  HB+         3.50    (#   1093:20  Unique         2.52, 3.14 A)
 &rst
  ixpk= 1093, nxpk= 20, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1469,1470,
 &end
#
# 97 GLN  HB-          97 GLN  HN          2.80    (#    343:10  Unique         2.21, 3.07 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1469,1470,
 &end
#
# 97 GLN  HE2+         97 GLN  HG+         3.50    (#    752:20  Unique         2.23, 3.46 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1472,1473,
 &end
#
# 97 GLN  HG-          97 GLN  HE2+        2.80    (#    591:10  Unique         2.23, 3.46 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1472,1473,
 igr2=1477,1478,
 &end
#
# 97 GLN  HE2-         97 GLN  HG+         5.50    (#   2407:20  Unique         2.23, 3.46 A)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1477,1478,
 igr2=1472,1473,
 &end
#
# 97 GLN  HE2-         97 GLN  HG-         5.50    (#   2408:20  Unique         2.23, 3.46 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1477,1478,
 igr2=1472,1473,
 &end
#
# 97 GLN  HG+          97 GLN  HN          2.80    (#    342:10  Unique         2.31, 3.16 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1472,1473,
 &end
#
# 97 GLN  HG-          97 GLN  HN          3.50    (#    962:10  Unique         2.31, 3.16 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1472,1473,
 &end
#
# 97 GLN  HN           98 GLU  HN          2.80    (#    405:10  Unique         2.62, 2.69 A)
 &rst
  ixpk= 405, nxpk= 10, iat=1465,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 GLN  HN           99 LEU  HN          5.50    (#   1243:10  Unique         3.96, 4.10 A)
 &rst
  ixpk= 1243, nxpk= 10, iat=1465,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 98 GLU  HA           98 GLU  HB+         2.80    (#   1024:20  Unique         2.54, 2.81 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1486,1487,
 &end
#
# 98 GLU  HA           98 GLU  HG+         3.50    (#    686:20  Unique         2.36, 2.97 A)
 &rst
  ixpk= 686, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1489,1490,
 &end
#
# 98 GLU  HA           98 GLU  HG-         3.50    (#    694:20  Unique         2.36, 2.97 A)
 &rst
  ixpk= 694, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1489,1490,
 &end
#
# 98 GLU  HA           98 GLU  HN          2.80    (#    409:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1484,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 99 LEU  HN           98 GLU  HA          3.50    (#    194:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 194, nxpk= 20, iat=1497,1484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 98 GLU  HN           98 GLU  HB+         2.80    (#   2387:20  Unique         2.28, 2.97 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1486,1487,
 &end
#
# 99 LEU  HN           98 GLU  HB+         3.50    (#   2386:20  Unique         2.88, 3.32 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1486,1487,
 &end
#
# 98 GLU  HG+          98 GLU  HN          3.50    (#    911:10  Unique         2.50, 3.14 A)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1489,1490,
 &end
#
# 99 LEU  HN           98 GLU  HG+         5.50    (#   2411:20  Unique         4.65, 4.97 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1489,1490,
 &end
#
# 99 LEU  HN           98 GLU  HN          2.80    (#    407:10  Unique         2.65, 2.71 A)
 &rst
  ixpk= 407, nxpk= 10, iat=1497,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 99 LEU  HA           99 LEU  HB+         3.50    (#    474:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 474, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1501,1502,
 &end
#
# 99 LEU  HA           99 LEU  HB-         2.80    (#    467:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 467, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1501,1502,
 &end
#
# 99 LEU  HA           99 LEU  HG          4.50    (#   2639:20  Unique         3.20, 3.38 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=1499,1504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  HA           99 LEU  MDX         2.80    (#   1332:20  Unique         2.15, 4.02 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 99 LEU  HA           99 LEU  MDY         2.80    (#   1317:20  Unique         2.15, 4.02 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 99 LEU  HB+          99 LEU  HN          2.80    (#    392:10  Unique         1.94, 2.43 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1501,1502,
 &end
#
# 99 LEU  HB-          99 LEU  HN          2.80    (#    390:10  Unique         1.94, 2.43 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1501,1502,
 &end
#
# 99 LEU  HB-          99 LEU  MDX         2.80    (#   1336:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1501,1502,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 99 LEU  HB-          99 LEU  MDY         2.80    (#   1320:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1501,1502,
 igr2=1506,1507,1508,1510,1511,1512,
 &end
#
# 99 LEU  HN           99 LEU  HG          4.20    (#   1185:20  Unique         2.18, 3.76 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=1497,1504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 99 LEU  MDY          99 LEU  HN          4.50    (#   1236:10  Unique         3.25, 4.98 A)
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1506,1507,1508,1510,1511,1512,
 &end
#
#  77 VAL  HN     85 GLU- O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1293, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  77 VAL  N      85 GLU- O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  75 LEU  O      87 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1309, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  75 LEU  O      87 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  75 LEU  HN     87 SER  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1318, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  75 LEU  N      87 SER  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1318, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73 PRO  O      89 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1103,1336, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  73 PRO  O      89 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1103,1335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77 VAL  O      85 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1280, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  77 VAL  O      85 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  20 VAL  HN     78 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1190, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  20 VAL  N      78 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1190, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  20 VAL  O      78 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 285,1173, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  20 VAL  O      78 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 285,1172, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 ALA  HN     76 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,1155, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 ALA  N      76 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,1155, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 ALA  O      76 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 314,1138, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 ALA  O      76 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 314,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 PHE  O      74 THR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1105, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 PHE  O      74 THR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1104, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 LEU  HN     51 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 768, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  21 LEU  N      51 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 LEU  O      53 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 789, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  21 LEU  O      53 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 788, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 ASP- HN     53 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 803, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 ASP- N      53 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 803, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 ASP- O      55 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 827, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 ASP- O      55 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 826, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 TRP  HN     55 ILE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 844, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 TRP  N      55 ILE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 844, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 VAL  HN     52 ILE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 787, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 VAL  N      52 ILE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 787, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 VAL  O      54 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 805, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 VAL  O      54 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 804, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  93 LYS+ O      97 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1465, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  93 LYS+ O      97 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1464, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  95 ALA  O      99 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1497, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  95 ALA  O      99 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1496, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96 LEU  O     100 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1516, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  96 LEU  O     100 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1515, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  97 GLN  O     101 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1532, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  97 GLN  O     101 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1531, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 ILE  O      39 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 559, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  35 ILE  O      39 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 558, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 ALA  O      40 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 578, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  36 ALA  O      40 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 577, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 PRO  O      41 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 593, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  37 PRO  O      41 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 592, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL  O      42 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 608, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  38 VAL  O      42 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 607, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 LEU  O      43 ASP- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 627, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 LEU  O      43 ASP- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  40 GLU- O      44 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 639, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  40 GLU- O      44 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 LEU  O      46 MET  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 671, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  42 LEU  O      46 MET  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 670, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG2 CG1 HB
 &rst iat=32,36,40,35, &end
#
#  chirality for residue 3 atoms:  CB CD1 HG12 HG13
 &rst iat=34,43,41,42, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,47,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=51,55,59,54, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=49,63,52,53, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=67,72,70,71, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=69,75,73,74, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=65,85,68,69, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=87,95,90,91, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=99,103,107,102, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=97,109,100,101, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=113,118,116,117, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=111,121,114,115, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=125,130,128,129, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=127,133,131,132, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=123,138,126,127, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=142,147,145,146, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=140,149,143,144, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=151,169,154,155, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=173,178,176,177, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=171,180,174,175, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=182,190,185,186, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=194,199,197,198, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=196,202,200,201, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=192,205,195,196, &end
#
#  chirality for residue 15 atoms:  CA CG2 OG1 HB
 &rst iat=209,213,217,212, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=207,219,210,211, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=223,228,226,227, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=221,230,224,225, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=234,239,237,238, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=236,242,240,241, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=232,245,235,236, &end
#
#  chirality for residue 18 atoms:  N C HA2 HA3
 &rst iat=247,252,250,251, &end
#
#  chirality for residue 19 atoms:  CA CG1 CG2 HB
 &rst iat=256,260,264,259, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=254,268,257,258, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=272,276,280,275, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=270,284,273,274, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 21 atoms:  CB CD1 CD2 HG
 &rst iat=290,295,299,294, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=286,303,289,290, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=305,313,308,309, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=315,325,318,319, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=327,345,330,331, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=349,354,352,353, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=347,369,350,351, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=371,379,374,375, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=391,385,389,390, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=388,382,386,387, &end
#
#  chirality for residue 27 atoms:  CG N HD2 HD3
 &rst iat=385,381,383,384, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=381,393,392,388, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=397,402,400,401, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=395,417,398,399, &end
#
#  chirality for residue 29 atoms:  CA SG HB2 HB3
 &rst iat=421,426,424,425, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=419,427,422,423, &end
#
#  chirality for residue 30 atoms:  N C HA2 HA3
 &rst iat=429,434,432,433, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=446,440,444,445, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=443,437,441,442, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=440,436,438,439, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=436,448,447,443, &end
#
#  chirality for residue 32 atoms:  CA SG HB2 HB3
 &rst iat=452,457,455,456, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=450,458,453,454, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=462,467,465,466, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=464,470,468,469, &end
#
#  chirality for residue 33 atoms:  CD NZ HE2 HE3
 &rst iat=470,476,474,475, &end
#
#  chirality for residue 33 atoms:  CG CE HD2 HD3
 &rst iat=467,473,471,472, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=460,480,463,464, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=484,489,487,488, &end
#
#  chirality for residue 34 atoms:  CB SD HG2 HG3
 &rst iat=486,492,490,491, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=482,497,485,486, &end
#
#  chirality for residue 35 atoms:  CA CG2 CG1 HB
 &rst iat=501,505,509,504, &end
#
#  chirality for residue 35 atoms:  CB CD1 HG12 HG13
 &rst iat=503,512,510,511, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=499,516,502,503, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=518,526,521,522, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=538,532,536,537, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=535,529,533,534, &end
#
#  chirality for residue 37 atoms:  CG N HD2 HD3
 &rst iat=532,528,530,531, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=528,540,539,535, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=544,548,552,547, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=542,556,545,546, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=560,565,563,564, &end
#
#  chirality for residue 39 atoms:  CB CD1 CD2 HG
 &rst iat=562,567,571,566, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=558,575,561,562, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=579,584,582,583, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=581,587,585,586, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=577,590,580,581, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=594,599,597,598, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=596,602,600,601, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=592,605,595,596, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=609,614,612,613, &end
#
#  chirality for residue 42 atoms:  CB CD1 CD2 HG
 &rst iat=611,616,620,615, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=607,624,610,611, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=626,636,629,630, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=640,645,643,644, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=642,648,646,647, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=638,653,641,642, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=657,662,660,661, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=659,665,663,664, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=655,668,658,659, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=672,677,675,676, &end
#
#  chirality for residue 46 atoms:  CB SD HG2 HG3
 &rst iat=674,680,678,679, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=670,685,673,674, &end
#
#  chirality for residue 47 atoms:  N C HA2 HA3
 &rst iat=687,692,690,691, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=696,701,699,700, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=694,704,697,698, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=708,713,711,712, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=710,716,714,715, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=716,722,720,721, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=713,719,717,718, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=706,726,709,710, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=730,735,733,734, &end
#
#  chirality for residue 50 atoms:  CB CD1 CD2 HG
 &rst iat=732,737,741,736, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=728,745,731,732, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=749,754,752,753, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=751,757,755,756, &end
#
#  chirality for residue 51 atoms:  CD NZ HE2 HE3
 &rst iat=757,763,761,762, &end
#
#  chirality for residue 51 atoms:  CG CE HD2 HD3
 &rst iat=754,760,758,759, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=747,767,750,751, &end
#
#  chirality for residue 52 atoms:  CA CG2 CG1 HB
 &rst iat=771,775,779,774, &end
#
#  chirality for residue 52 atoms:  CB CD1 HG12 HG13
 &rst iat=773,782,780,781, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=769,786,772,773, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=790,794,798,793, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=788,802,791,792, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=806,811,809,810, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=808,814,812,813, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=814,820,818,819, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=811,817,815,816, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=804,824,807,808, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=828,832,836,831, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=830,839,837,838, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=826,843,829,830, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=847,852,850,851, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=845,855,848,849, &end
#
#  chirality for residue 57 atoms:  CA CG1 CG2 HB
 &rst iat=859,863,867,862, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=857,871,860,861, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=875,880,878,879, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=873,883,876,877, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=887,892,890,891, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=889,895,893,894, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=885,898,888,889, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=902,907,905,906, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=900,912,903,904, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=916,921,919,920, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=918,924,922,923, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=914,929,917,918, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=933,938,936,937, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=935,941,939,940, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=931,944,934,935, &end
#
#  chirality for residue 63 atoms:  CA CG2 OG1 HB
 &rst iat=948,952,956,951, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=946,958,949,950, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=960,968,963,964, &end
#
#  chirality for residue 65 atoms:  N C HA2 HA3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=979,984,982,983, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=981,987,985,986, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=987,993,991,992, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=984,990,988,989, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=977,997,980,981, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1001,1006,1004,1005, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=999,1018,1002,1003, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1020,1025,1023,1024, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1029,1033,1037,1032, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1027,1041,1030,1031, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1045,1050,1048,1049, &end
#
#  chirality for residue 70 atoms:  CB SD HG2 HG3
 &rst iat=1047,1053,1051,1052, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1043,1058,1046,1047, &end
#
#  chirality for residue 71 atoms:  CA OG HB2 HB3
 &rst iat=1062,1067,1065,1066, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1060,1069,1063,1064, &end
#
#  chirality for residue 72 atoms:  CA CG2 CG1 HB
 &rst iat=1073,1077,1081,1076, &end
#
#  chirality for residue 72 atoms:  CB CD1 HG12 HG13
 &rst iat=1075,1084,1082,1083, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1071,1088,1074,1075, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1100,1094,1098,1099, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1097,1091,1095,1096, &end
#
#  chirality for residue 73 atoms:  CG N HD2 HD3
 &rst iat=1094,1090,1092,1093, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1090,1102,1101,1097, &end
#
#  chirality for residue 74 atoms:  CA CG2 OG1 HB
 &rst iat=1106,1110,1114,1109, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1104,1116,1107,1108, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1120,1125,1123,1124, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1122,1127,1131,1126, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1118,1135,1121,1122, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1139,1144,1142,1143, &end
#
#  chirality for residue 76 atoms:  CB CD1 CD2 HG
 &rst iat=1141,1146,1150,1145, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1137,1154,1140,1141, &end
#
#  chirality for residue 77 atoms:  CA CG1 CG2 HB
 &rst iat=1158,1162,1166,1161, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1156,1170,1159,1160, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1174,1179,1177,1178, &end
#
#  chirality for residue 78 atoms:  CB CD1 CD2 HG
 &rst iat=1176,1181,1185,1180, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1172,1189,1175,1176, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1193,1198,1196,1197, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1195,1201,1199,1200, &end
#
#  chirality for residue 79 atoms:  CD NZ HE2 HE3
 &rst iat=1201,1207,1205,1206, &end
#
#  chirality for residue 79 atoms:  CG CE HD2 HD3
 &rst iat=1198,1204,1202,1203, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1191,1211,1194,1195, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1215,1220,1218,1219, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1213,1223,1216,1217, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1225,1230,1228,1229, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1234,1239,1237,1238, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1236,1242,1240,1241, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1232,1245,1235,1236, &end
#
#  chirality for residue 83 atoms:  CA CG1 CG2 HB
 &rst iat=1249,1253,1257,1252, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1247,1261,1250,1251, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1265,1269,1273,1268, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1263,1277,1266,1267, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1281,1286,1284,1285, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1283,1289,1287,1288, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1279,1292,1282,1283, &end
#
#  chirality for residue 86 atoms:  CA CG2 OG1 HB
 &rst iat=1296,1300,1304,1299, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1294,1306,1297,1298, &end
#
#  chirality for residue 87 atoms:  CA OG HB2 HB3
 &rst iat=1310,1315,1313,1314, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1308,1317,1311,1312, &end
#
#  chirality for residue 88 atoms:  CA CG1 CG2 HB
 &rst iat=1321,1325,1329,1324, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1319,1333,1322,1323, &end
#
#  chirality for residue 89 atoms:  N C HA2 HA3
 &rst iat=1335,1340,1338,1339, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1344,1349,1347,1348, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1342,1360,1345,1346, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1364,1369,1367,1368, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1366,1372,1370,1371, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1372,1378,1376,1377, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1369,1375,1373,1374, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1362,1382,1365,1366, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1394,1388,1392,1393, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1391,1385,1389,1390, &end
#
#  chirality for residue 92 atoms:  CG N HD2 HD3
 &rst iat=1388,1384,1386,1387, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1384,1396,1395,1391, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1400,1405,1403,1404, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1402,1408,1406,1407, &end
#
#  chirality for residue 93 atoms:  CD NZ HE2 HE3
 &rst iat=1408,1414,1412,1413, &end
#
#  chirality for residue 93 atoms:  CG CE HD2 HD3
 &rst iat=1405,1411,1409,1410, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1398,1418,1401,1402, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1422,1427,1425,1426, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1424,1430,1428,1429, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1420,1433,1423,1424, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1435,1443,1438,1439, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1447,1452,1450,1451, &end
#
#  chirality for residue 96 atoms:  CB CD1 CD2 HG
 &rst iat=1449,1454,1458,1453, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1445,1462,1448,1449, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1466,1471,1469,1470, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1468,1474,1472,1473, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1464,1479,1467,1468, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1483,1488,1486,1487, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1485,1491,1489,1490, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1481,1494,1484,1485, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1498,1503,1501,1502, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1500,1505,1509,1504, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1496,1513,1499,1500, &end
#
#  chirality for residue 100 atoms:  CA CG1 CG2 HB
 &rst iat=1517,1521,1525,1520, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1515,1529,1518,1519, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1533,1538,1536,1537, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1531,1543,1534,1535, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1547,1552,1550,1551, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1549,1555,1553,1554, &end
#
#  chirality for residue 102 atoms:  CD NZ HE2 HE3
 &rst iat=1555,1561,1559,1560, &end
#
#  chirality for residue 102 atoms:  CG CE HD2 HD3
 &rst iat=1552,1558,1556,1557, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1545,1565,1548,1549, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1569,1574,1572,1573, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1567,1582,1570,1571, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1586,1591,1589,1590, &end
#
#  chirality for residue 104 atoms:  CB CD1 CD2 HG
 &rst iat=1588,1593,1597,1592, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1584,1601,1587,1588, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=51,49,47,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=67,65,63,51, &end
#
#  trans-omega constraint for residue 6
 &rst iat=89,87,85,67, &end
#
#  trans-omega constraint for residue 7
 &rst iat=99,97,95,89, &end
#
#  trans-omega constraint for residue 8
 &rst iat=113,111,109,99, &end
#
#  trans-omega constraint for residue 9
 &rst iat=125,123,121,113, &end
#
#  trans-omega constraint for residue 10
 &rst iat=142,140,138,125, &end
#
#  trans-omega constraint for residue 11
 &rst iat=153,151,149,142, &end
#
#  trans-omega constraint for residue 12
 &rst iat=173,171,169,153, &end
#
#  trans-omega constraint for residue 13
 &rst iat=184,182,180,173, &end
#
#  trans-omega constraint for residue 14
 &rst iat=194,192,190,184, &end
#
#  trans-omega constraint for residue 15
 &rst iat=209,207,205,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=223,221,219,209, &end
#
#  trans-omega constraint for residue 17
 &rst iat=234,232,230,223, &end
#
#  trans-omega constraint for residue 18
 &rst iat=249,247,245,234, &end
#
#  trans-omega constraint for residue 19
 &rst iat=256,254,252,249, &end
#
#  trans-omega constraint for residue 20
 &rst iat=272,270,268,256, &end
#
#  trans-omega constraint for residue 21
 &rst iat=288,286,284,272, &end
#
#  trans-omega constraint for residue 22
 &rst iat=307,305,303,288, &end
#
#  trans-omega constraint for residue 23
 &rst iat=317,315,313,307, &end
#
#  trans-omega constraint for residue 24
 &rst iat=329,327,325,317, &end
#
#  trans-omega constraint for residue 25
 &rst iat=349,347,345,329, &end
#
#  trans-omega constraint for residue 26
 &rst iat=373,371,369,349, &end
#
#  trans-omega constraint for residue 27
 &rst iat=391,381,379,373, &end
#
#  trans-omega constraint for residue 28
 &rst iat=397,395,393,391, &end
#
#  trans-omega constraint for residue 29
 &rst iat=421,419,417,397, &end
#
#  trans-omega constraint for residue 30
 &rst iat=431,429,427,421, &end
#
#  trans-omega constraint for residue 31
 &rst iat=446,436,434,431, &end
#
#  trans-omega constraint for residue 32
 &rst iat=452,450,448,446, &end
#
#  trans-omega constraint for residue 33
 &rst iat=462,460,458,452, &end
#
#  trans-omega constraint for residue 34
 &rst iat=484,482,480,462, &end
#
#  trans-omega constraint for residue 35
 &rst iat=501,499,497,484, &end
#
#  trans-omega constraint for residue 36
 &rst iat=520,518,516,501, &end
#
#  trans-omega constraint for residue 37
 &rst iat=538,528,526,520, &end
#
#  trans-omega constraint for residue 38
 &rst iat=544,542,540,538, &end
#
#  trans-omega constraint for residue 39
 &rst iat=560,558,556,544, &end
#
#  trans-omega constraint for residue 40
 &rst iat=579,577,575,560, &end
#
#  trans-omega constraint for residue 41
 &rst iat=594,592,590,579, &end
#
#  trans-omega constraint for residue 42
 &rst iat=609,607,605,594, &end
#
#  trans-omega constraint for residue 43
 &rst iat=628,626,624,609, &end
#
#  trans-omega constraint for residue 44
 &rst iat=640,638,636,628, &end
#
#  trans-omega constraint for residue 45
 &rst iat=657,655,653,640, &end
#
#  trans-omega constraint for residue 46
 &rst iat=672,670,668,657, &end
#
#  trans-omega constraint for residue 47
 &rst iat=689,687,685,672, &end
#
#  trans-omega constraint for residue 48
 &rst iat=696,694,692,689, &end
#
#  trans-omega constraint for residue 49
 &rst iat=708,706,704,696, &end
#
#  trans-omega constraint for residue 50
 &rst iat=730,728,726,708, &end
#
#  trans-omega constraint for residue 51
 &rst iat=749,747,745,730, &end
#
#  trans-omega constraint for residue 52
 &rst iat=771,769,767,749, &end
#
#  trans-omega constraint for residue 53
 &rst iat=790,788,786,771, &end
#
#  trans-omega constraint for residue 54
 &rst iat=806,804,802,790, &end
#
#  trans-omega constraint for residue 55
 &rst iat=828,826,824,806, &end
#
#  trans-omega constraint for residue 56
 &rst iat=847,845,843,828, &end
#
#  trans-omega constraint for residue 57
 &rst iat=859,857,855,847, &end
#
#  trans-omega constraint for residue 58
 &rst iat=875,873,871,859, &end
#
#  trans-omega constraint for residue 59
 &rst iat=887,885,883,875, &end
#
#  trans-omega constraint for residue 60
 &rst iat=902,900,898,887, &end
#
#  trans-omega constraint for residue 61
 &rst iat=916,914,912,902, &end
#
#  trans-omega constraint for residue 62
 &rst iat=933,931,929,916, &end
#
#  trans-omega constraint for residue 63
 &rst iat=948,946,944,933, &end
#
#  trans-omega constraint for residue 64
 &rst iat=962,960,958,948, &end
#
#  trans-omega constraint for residue 65
 &rst iat=972,970,968,962, &end
#
#  trans-omega constraint for residue 66
 &rst iat=979,977,975,972, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1001,999,997,979, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1022,1020,1018,1001, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1029,1027,1025,1022, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1045,1043,1041,1029, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1062,1060,1058,1045, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1073,1071,1069,1062, &end
#
#  cis-omega constraint for residue 73
 &rst iat=1100,1090,1088,1073,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 74
 &rst iat=1106,1104,1102,1100,
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 75
 &rst iat=1120,1118,1116,1106, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1139,1137,1135,1120, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1158,1156,1154,1139, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1174,1172,1170,1158, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1193,1191,1189,1174, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1215,1213,1211,1193, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1227,1225,1223,1215, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1234,1232,1230,1227, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1249,1247,1245,1234, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1265,1263,1261,1249, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1281,1279,1277,1265, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1296,1294,1292,1281, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1310,1308,1306,1296, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1321,1319,1317,1310, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1337,1335,1333,1321, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1344,1342,1340,1337, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1364,1362,1360,1344, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1394,1384,1382,1364, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1400,1398,1396,1394, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1422,1420,1418,1400, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1437,1435,1433,1422, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1447,1445,1443,1437, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1466,1464,1462,1447, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1483,1481,1479,1466, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1498,1496,1494,1483, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1517,1515,1513,1498, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1533,1531,1529,1517, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1547,1545,1543,1533, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1569,1567,1565,1547, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1586,1584,1582,1569, &end
# 1603 atoms read from pdb file prm1.pdb.
# 3 ILE PHI:  (2 ALA C)-(3 ILE N)-(3 ILE CA)-(3 ILE C) -136.2 -76.2
 &rst     iat =    28,    30,    32,    47,
   r1 = -137.2, r2 = -136.2, r3 = -76.2, r4 = -75.2,
   rk2 =  50.0, rk3 =  50.0,    &end

# 3 ILE PSI:  (3 ILE N)-(3 ILE CA)-(3 ILE C)-(4 VAL N)  93.5 153.5
 &rst     iat =    30,    32,    47,    49,
   r1 =  92.5, r2 =  93.5, r3 = 153.5, r4 = 154.5,
 &end

# 4 VAL PHI:  (3 ILE C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -147.5 -87.5
 &rst     iat =    47,    49,    51,    63,
   r1 = -148.5, r2 = -147.5, r3 = -87.5, r4 = -86.5,
 &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 LYS N) 103.5 163.5
 &rst     iat =    49,    51,    63,    65,
   r1 = 102.5, r2 = 103.5, r3 = 163.5, r4 = 164.5,
 &end

# 5 LYS PHI:  (4 VAL C)-(5 LYS N)-(5 LYS CA)-(5 LYS C) -128.9 -68.9
 &rst     iat =    63,    65,    67,    85,
   r1 = -129.9, r2 = -128.9, r3 = -68.9, r4 = -67.9,
 &end

# 5 LYS PSI:  (5 LYS N)-(5 LYS CA)-(5 LYS C)-(6 ALA N)  99.2 159.2
 &rst     iat =    65,    67,    85,    87,
   r1 =  98.2, r2 =  99.2, r3 = 159.2, r4 = 160.2,
 &end

# 6 ALA PHI:  (5 LYS C)-(6 ALA N)-(6 ALA CA)-(6 ALA C) -168.8 -108.8
 &rst     iat =    85,    87,    89,    95,
   r1 = -169.8, r2 = -168.8, r3 = -108.8, r4 = -107.8,
 &end

# 6 ALA PSI:  (6 ALA N)-(6 ALA CA)-(6 ALA C)-(7 THR N) 122.9 182.9
 &rst     iat =    87,    89,    95,    97,
   r1 = 121.9, r2 = 122.9, r3 = 182.9, r4 = 183.9,
 &end

# 7 THR PHI:  (6 ALA C)-(7 THR N)-(7 THR CA)-(7 THR C) -131.6 -71.6
 &rst     iat =    95,    97,    99,   109,
   r1 = -132.6, r2 = -131.6, r3 = -71.6, r4 = -70.6,
 &end

# 7 THR PSI:  (7 THR N)-(7 THR CA)-(7 THR C)-(8 ASP N) 129.9 189.9
 &rst     iat =    97,    99,   109,   111,
   r1 = 128.9, r2 = 129.9, r3 = 189.9, r4 = 190.9,
 &end

# 8 ASP PHI:  (7 THR C)-(8 ASP N)-(8 ASP CA)-(8 ASP C) -92.1 -32.1
 &rst     iat =   109,   111,   113,   121,
   r1 = -93.1, r2 = -92.1, r3 = -32.1, r4 = -31.1,
 &end

# 8 ASP PSI:  (8 ASP N)-(8 ASP CA)-(8 ASP C)-(9 GLN N) -60.6  -0.6
 &rst     iat =   111,   113,   121,   123,
   r1 = -61.6, r2 = -60.6, r3 =  -0.6, r4 =   0.4,
 &end

# 11 PHE PHI:  (10 SER C)-(11 PHE N)-(11 PHE CA)-(11 PHE C) -91.7 -31.7
 &rst     iat =   149,   151,   153,   169,
   r1 = -92.7, r2 = -91.7, r3 = -31.7, r4 = -30.7,
 &end

# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 SER N) -69.0  -9.0
 &rst     iat =   151,   153,   169,   171,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 12 SER PHI:  (11 PHE C)-(12 SER N)-(12 SER CA)-(12 SER C) -97.0 -37.0
 &rst     iat =   169,   171,   173,   180,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 12 SER PSI:  (12 SER N)-(12 SER CA)-(12 SER C)-(13 ALA N) -67.4  -7.4
 &rst     iat =   171,   173,   180,   182,
   r1 = -68.4, r2 = -67.4, r3 =  -7.4, r4 =  -6.4,
 &end

# 13 ALA PHI:  (12 SER C)-(13 ALA N)-(13 ALA CA)-(13 ALA C) -95.3 -35.3
 &rst     iat =   180,   182,   184,   190,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 13 ALA PSI:  (13 ALA N)-(13 ALA CA)-(13 ALA C)-(14 GLU N) -72.0 -12.0
 &rst     iat =   182,   184,   190,   192,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 15 THR PHI:  (14 GLU C)-(15 THR N)-(15 THR CA)-(15 THR C) -127.7 -67.7
 &rst     iat =   205,   207,   209,   219,
   r1 = -128.7, r2 = -127.7, r3 = -67.7, r4 = -66.7,
 &end

# 15 THR PSI:  (15 THR N)-(15 THR CA)-(15 THR C)-(16 SER N) -34.9  25.1
 &rst     iat =   207,   209,   219,   221,
   r1 = -35.9, r2 = -34.9, r3 =  25.1, r4 =  26.1,
 &end

# 19 VAL PHI:  (18 GLY C)-(19 VAL N)-(19 VAL CA)-(19 VAL C) -125.4 -65.4
 &rst     iat =   252,   254,   256,   268,
   r1 = -126.4, r2 = -125.4, r3 = -65.4, r4 = -64.4,
 &end

# 19 VAL PSI:  (19 VAL N)-(19 VAL CA)-(19 VAL C)-(20 VAL N)  93.4 153.4
 &rst     iat =   254,   256,   268,   270,
   r1 =  92.4, r2 =  93.4, r3 = 153.4, r4 = 154.4,
 &end

# 20 VAL PHI:  (19 VAL C)-(20 VAL N)-(20 VAL CA)-(20 VAL C) -154.9 -94.9
 &rst     iat =   268,   270,   272,   284,
   r1 = -155.9, r2 = -154.9, r3 = -94.9, r4 = -93.9,
 &end

# 20 VAL PSI:  (20 VAL N)-(20 VAL CA)-(20 VAL C)-(21 LEU N) 104.9 164.9
 &rst     iat =   270,   272,   284,   286,
   r1 = 103.9, r2 = 104.9, r3 = 164.9, r4 = 165.9,
 &end

# 21 LEU PHI:  (20 VAL C)-(21 LEU N)-(21 LEU CA)-(21 LEU C) -150.7 -90.7
 &rst     iat =   284,   286,   288,   303,
   r1 = -151.7, r2 = -150.7, r3 = -90.7, r4 = -89.7,
 &end

# 21 LEU PSI:  (21 LEU N)-(21 LEU CA)-(21 LEU C)-(22 ALA N)  99.4 159.4
 &rst     iat =   286,   288,   303,   305,
   r1 =  98.4, r2 =  99.4, r3 = 159.4, r4 = 160.4,
 &end

# 22 ALA PHI:  (21 LEU C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -136.3 -76.3
 &rst     iat =   303,   305,   307,   313,
   r1 = -137.3, r2 = -136.3, r3 = -76.3, r4 = -75.3,
 &end

# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 ASP N) 102.2 162.2
 &rst     iat =   305,   307,   313,   315,
   r1 = 101.2, r2 = 102.2, r3 = 162.2, r4 = 163.2,
 &end

# 23 ASP PHI:  (22 ALA C)-(23 ASP N)-(23 ASP CA)-(23 ASP C) -144.9 -84.9
 &rst     iat =   313,   315,   317,   325,
   r1 = -145.9, r2 = -144.9, r3 = -84.9, r4 = -83.9,
 &end

# 23 ASP PSI:  (23 ASP N)-(23 ASP CA)-(23 ASP C)-(24 PHE N)  94.4 154.4
 &rst     iat =   315,   317,   325,   327,
   r1 =  93.4, r2 =  94.4, r3 = 154.4, r4 = 155.4,
 &end

# 24 PHE PHI:  (23 ASP C)-(24 PHE N)-(24 PHE CA)-(24 PHE C) -129.9 -70.0
 &rst     iat =   325,   327,   329,   345,
   r1 = -130.9, r2 = -129.9, r3 = -70.0, r4 = -69.0,
 &end

# 24 PHE PSI:  (24 PHE N)-(24 PHE CA)-(24 PHE C)-(25 TRP N)  99.0 159.0
 &rst     iat =   327,   329,   345,   347,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end

# 32 CYS PHI:  (31 PRO C)-(32 CYS N)-(32 CYS CA)-(32 CYS C) -98.4 -38.4
 &rst     iat =   448,   450,   452,   458,
   r1 = -99.4, r2 = -98.4, r3 = -38.4, r4 = -37.4,
 &end

# 32 CYS PSI:  (32 CYS N)-(32 CYS CA)-(32 CYS C)-(33 LYS N) -65.6  -5.6
 &rst     iat =   450,   452,   458,   460,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end

# 33 LYS PHI:  (32 CYS C)-(33 LYS N)-(33 LYS CA)-(33 LYS C) -99.1 -39.1
 &rst     iat =   458,   460,   462,   480,
   r1 = -100.1, r2 = -99.1, r3 = -39.1, r4 = -38.1,
 &end

# 33 LYS PSI:  (33 LYS N)-(33 LYS CA)-(33 LYS C)-(34 MET N) -67.0  -7.0
 &rst     iat =   460,   462,   480,   482,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 35 ILE PHI:  (34 MET C)-(35 ILE N)-(35 ILE CA)-(35 ILE C) -100.0 -40.0
 &rst     iat =   497,   499,   501,   516,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end

# 35 ILE PSI:  (35 ILE N)-(35 ILE CA)-(35 ILE C)-(36 ALA N) -63.4  -3.4
 &rst     iat =   499,   501,   516,   518,
   r1 = -64.4, r2 = -63.4, r3 =  -3.4, r4 =  -2.4,
 &end

# 36 ALA PHI:  (35 ILE C)-(36 ALA N)-(36 ALA CA)-(36 ALA C) -91.6 -31.6
 &rst     iat =   516,   518,   520,   526,
   r1 = -92.6, r2 = -91.6, r3 = -31.6, r4 = -30.6,
 &end

# 36 ALA PSI:  (36 ALA N)-(36 ALA CA)-(36 ALA C)-(37 PRO N) -72.2 -12.2
 &rst     iat =   518,   520,   526,   528,
   r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
 &end

# 38 VAL PHI:  (37 PRO C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -99.3 -39.3
 &rst     iat =   540,   542,   544,   556,
   r1 = -100.3, r2 = -99.3, r3 = -39.3, r4 = -38.3,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 LEU N) -68.9  -8.9
 &rst     iat =   542,   544,   556,   558,
   r1 = -69.9, r2 = -68.9, r3 =  -8.9, r4 =  -7.9,
 &end

# 39 LEU PHI:  (38 VAL C)-(39 LEU N)-(39 LEU CA)-(39 LEU C) -97.1 -37.1
 &rst     iat =   556,   558,   560,   575,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end

# 39 LEU PSI:  (39 LEU N)-(39 LEU CA)-(39 LEU C)-(40 GLU N) -64.6  -4.6
 &rst     iat =   558,   560,   575,   577,
   r1 = -65.6, r2 = -64.6, r3 =  -4.6, r4 =  -3.6,
 &end

# 40 GLU PHI:  (39 LEU C)-(40 GLU N)-(40 GLU CA)-(40 GLU C) -94.1 -34.1
 &rst     iat =   575,   577,   579,   590,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 40 GLU PSI:  (40 GLU N)-(40 GLU CA)-(40 GLU C)-(41 GLU N) -73.0 -13.0
 &rst     iat =   577,   579,   590,   592,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

# 41 GLU PHI:  (40 GLU C)-(41 GLU N)-(41 GLU CA)-(41 GLU C) -93.0 -33.0
 &rst     iat =   590,   592,   594,   605,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 41 GLU PSI:  (41 GLU N)-(41 GLU CA)-(41 GLU C)-(42 LEU N) -72.3 -12.3
 &rst     iat =   592,   594,   605,   607,
   r1 = -73.3, r2 = -72.3, r3 = -12.3, r4 = -11.3,
 &end

# 42 LEU PHI:  (41 GLU C)-(42 LEU N)-(42 LEU CA)-(42 LEU C) -93.0 -33.0
 &rst     iat =   605,   607,   609,   624,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 42 LEU PSI:  (42 LEU N)-(42 LEU CA)-(42 LEU C)-(43 ASP N) -69.3  -9.3
 &rst     iat =   607,   609,   624,   626,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 43 ASP PHI:  (42 LEU C)-(43 ASP N)-(43 ASP CA)-(43 ASP C) -95.8 -35.8
 &rst     iat =   624,   626,   628,   636,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 43 ASP PSI:  (43 ASP N)-(43 ASP CA)-(43 ASP C)-(44 GLN N) -69.5  -9.5
 &rst     iat =   626,   628,   636,   638,
   r1 = -70.5, r2 = -69.5, r3 =  -9.5, r4 =  -8.5,
 &end

# 44 GLN PHI:  (43 ASP C)-(44 GLN N)-(44 GLN CA)-(44 GLN C) -95.6 -35.6
 &rst     iat =   636,   638,   640,   653,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 44 GLN PSI:  (44 GLN N)-(44 GLN CA)-(44 GLN C)-(45 GLU N) -71.1 -11.1
 &rst     iat =   638,   640,   653,   655,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 51 LYS PHI:  (50 LEU C)-(51 LYS N)-(51 LYS CA)-(51 LYS C) -140.7 -80.7
 &rst     iat =   745,   747,   749,   767,
   r1 = -141.7, r2 = -140.7, r3 = -80.7, r4 = -79.7,
 &end

# 51 LYS PSI:  (51 LYS N)-(51 LYS CA)-(51 LYS C)-(52 ILE N)  84.7 144.7
 &rst     iat =   747,   749,   767,   769,
   r1 =  83.7, r2 =  84.7, r3 = 144.7, r4 = 145.7,
 &end

# 52 ILE PHI:  (51 LYS C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -144.7 -84.7
 &rst     iat =   767,   769,   771,   786,
   r1 = -145.7, r2 = -144.7, r3 = -84.7, r4 = -83.7,
 &end

# 52 ILE PSI:  (52 ILE N)-(52 ILE CA)-(52 ILE C)-(53 VAL N) 102.5 162.5
 &rst     iat =   769,   771,   786,   788,
   r1 = 101.5, r2 = 102.5, r3 = 162.5, r4 = 163.5,
 &end

# 53 VAL PHI:  (52 ILE C)-(53 VAL N)-(53 VAL CA)-(53 VAL C) -157.2 -77.2
 &rst     iat =   786,   788,   790,   802,
   r1 = -158.2, r2 = -157.2, r3 = -77.2, r4 = -76.2,
 &end

# 53 VAL PSI:  (53 VAL N)-(53 VAL CA)-(53 VAL C)-(54 LYS N)  99.3 179.3
 &rst     iat =   788,   790,   802,   804,
   r1 =  98.3, r2 =  99.3, r3 = 179.3, r4 = 180.3,
 &end

# 54 LYS PHI:  (53 VAL C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -154.9 -74.9
 &rst     iat =   802,   804,   806,   824,
   r1 = -155.9, r2 = -154.9, r3 = -74.9, r4 = -73.9,
 &end

# 54 LYS PSI:  (54 LYS N)-(54 LYS CA)-(54 LYS C)-(55 ILE N)  93.9 173.9
 &rst     iat =   804,   806,   824,   826,
   r1 =  92.9, r2 =  93.9, r3 = 173.9, r4 = 174.9,
 &end

# 55 ILE PHI:  (54 LYS C)-(55 ILE N)-(55 ILE CA)-(55 ILE C) -155.4 -95.5
 &rst     iat =   824,   826,   828,   843,
   r1 = -156.4, r2 = -155.4, r3 = -95.5, r4 = -94.5,
 &end

# 55 ILE PSI:  (55 ILE N)-(55 ILE CA)-(55 ILE C)-(56 ASP N) 108.5 168.5
 &rst     iat =   826,   828,   843,   845,
   r1 = 107.5, r2 = 108.5, r3 = 168.5, r4 = 169.5,
 &end

# 58 ASP PHI:  (57 VAL C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -107.7 -47.7
 &rst     iat =   871,   873,   875,   883,
   r1 = -108.7, r2 = -107.7, r3 = -47.7, r4 = -46.7,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 GLU N) -55.6   4.4
 &rst     iat =   873,   875,   883,   885,
   r1 = -56.6, r2 = -55.6, r3 =   4.4, r4 =   5.4,
 &end

# 62 GLU PHI:  (61 GLN C)-(62 GLU N)-(62 GLU CA)-(62 GLU C) -92.8 -32.8
 &rst     iat =   929,   931,   933,   944,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 62 GLU PSI:  (62 GLU N)-(62 GLU CA)-(62 GLU C)-(63 THR N) -70.5 -10.5
 &rst     iat =   931,   933,   944,   946,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 63 THR PHI:  (62 GLU C)-(63 THR N)-(63 THR CA)-(63 THR C) -98.8 -38.8
 &rst     iat =   944,   946,   948,   958,
   r1 = -99.8, r2 = -98.8, r3 = -38.8, r4 = -37.8,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 ALA N) -72.0 -12.0
 &rst     iat =   946,   948,   958,   960,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 64 ALA PHI:  (63 THR C)-(64 ALA N)-(64 ALA CA)-(64 ALA C) -90.9 -30.9
 &rst     iat =   958,   960,   962,   968,
   r1 = -91.9, r2 = -90.9, r3 = -30.9, r4 = -29.9,
 &end

# 64 ALA PSI:  (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 GLY N) -73.3 -13.3
 &rst     iat =   960,   962,   968,   970,
   r1 = -74.3, r2 = -73.3, r3 = -13.3, r4 = -12.3,
 &end

# 65 GLY PHI:  (64 ALA C)-(65 GLY N)-(65 GLY CA)-(65 GLY C) -93.0 -33.0
 &rst     iat =   968,   970,   972,   975,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 65 GLY PSI:  (65 GLY N)-(65 GLY CA)-(65 GLY C)-(66 LYS N) -70.9 -10.9
 &rst     iat =   970,   972,   975,   977,
   r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 =  -9.9,
 &end

# 66 LYS PHI:  (65 GLY C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -95.6 -35.6
 &rst     iat =   975,   977,   979,   997,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 66 LYS PSI:  (66 LYS N)-(66 LYS CA)-(66 LYS C)-(67 TYR N) -56.8   3.2
 &rst     iat =   977,   979,   997,   999,
   r1 = -57.8, r2 = -56.8, r3 =   3.2, r4 =   4.2,
 &end

# 69 VAL PHI:  (68 GLY C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -110.9 -50.9
 &rst     iat =  1025,  1027,  1029,  1041,
   r1 = -111.9, r2 = -110.9, r3 = -50.9, r4 = -49.9,
 &end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 MET N)  94.2 154.2
 &rst     iat =  1027,  1029,  1041,  1043,
   r1 =  93.2, r2 =  94.2, r3 = 154.2, r4 = 155.2,
 &end

# 71 SER PHI:  (70 MET C)-(71 SER N)-(71 SER CA)-(71 SER C) -146.9 -86.9
 &rst     iat =  1058,  1060,  1062,  1069,
   r1 = -147.9, r2 = -146.9, r3 = -86.9, r4 = -85.9,
 &end

# 71 SER PSI:  (71 SER N)-(71 SER CA)-(71 SER C)-(72 ILE N) 124.1 184.1
 &rst     iat =  1060,  1062,  1069,  1071,
   r1 = 123.1, r2 = 124.1, r3 = 184.1, r4 = 185.1,
 &end

# 72 ILE PHI:  (71 SER C)-(72 ILE N)-(72 ILE CA)-(72 ILE C) -155.5 -95.5
 &rst     iat =  1069,  1071,  1073,  1088,
   r1 = -156.5, r2 = -155.5, r3 = -95.5, r4 = -94.5,
 &end

# 72 ILE PSI:  (72 ILE N)-(72 ILE CA)-(72 ILE C)-(73 PRO N)  93.5 153.5
 &rst     iat =  1071,  1073,  1088,  1090,
   r1 =  92.5, r2 =  93.5, r3 = 153.5, r4 = 154.5,
 &end

# 74 THR PHI:  (73 PRO C)-(74 THR N)-(74 THR CA)-(74 THR C) -152.1 -92.1
 &rst     iat =  1102,  1104,  1106,  1116,
   r1 = -153.1, r2 = -152.1, r3 = -92.1, r4 = -91.1,
 &end

# 74 THR PSI:  (74 THR N)-(74 THR CA)-(74 THR C)-(75 LEU N)  98.5 158.5
 &rst     iat =  1104,  1106,  1116,  1118,
   r1 =  97.5, r2 =  98.5, r3 = 158.5, r4 = 159.5,
 &end

# 75 LEU PHI:  (74 THR C)-(75 LEU N)-(75 LEU CA)-(75 LEU C) -141.8 -81.8
 &rst     iat =  1116,  1118,  1120,  1135,
   r1 = -142.8, r2 = -141.8, r3 = -81.8, r4 = -80.8,
 &end

# 75 LEU PSI:  (75 LEU N)-(75 LEU CA)-(75 LEU C)-(76 LEU N) 106.1 166.1
 &rst     iat =  1118,  1120,  1135,  1137,
   r1 = 105.1, r2 = 106.1, r3 = 166.1, r4 = 167.1,
 &end

# 76 LEU PHI:  (75 LEU C)-(76 LEU N)-(76 LEU CA)-(76 LEU C) -154.7 -94.7
 &rst     iat =  1135,  1137,  1139,  1154,
   r1 = -155.7, r2 = -154.7, r3 = -94.7, r4 = -93.7,
 &end

# 76 LEU PSI:  (76 LEU N)-(76 LEU CA)-(76 LEU C)-(77 VAL N) 110.6 170.6
 &rst     iat =  1137,  1139,  1154,  1156,
   r1 = 109.6, r2 = 110.6, r3 = 170.6, r4 = 171.6,
 &end

# 77 VAL PHI:  (76 LEU C)-(77 VAL N)-(77 VAL CA)-(77 VAL C) -143.3 -83.3
 &rst     iat =  1154,  1156,  1158,  1170,
   r1 = -144.3, r2 = -143.3, r3 = -83.3, r4 = -82.3,
 &end

# 77 VAL PSI:  (77 VAL N)-(77 VAL CA)-(77 VAL C)-(78 LEU N)  91.3 151.3
 &rst     iat =  1156,  1158,  1170,  1172,
   r1 =  90.3, r2 =  91.3, r3 = 151.3, r4 = 152.3,
 &end

# 78 LEU PHI:  (77 VAL C)-(78 LEU N)-(78 LEU CA)-(78 LEU C) -145.8 -85.8
 &rst     iat =  1170,  1172,  1174,  1189,
   r1 = -146.8, r2 = -145.8, r3 = -85.8, r4 = -84.8,
 &end

# 78 LEU PSI:  (78 LEU N)-(78 LEU CA)-(78 LEU C)-(79 LYS N) 114.8 174.8
 &rst     iat =  1172,  1174,  1189,  1191,
   r1 = 113.8, r2 = 114.8, r3 = 174.8, r4 = 175.8,
 &end

# 79 LYS PHI:  (78 LEU C)-(79 LYS N)-(79 LYS CA)-(79 LYS C) -153.3 -93.3
 &rst     iat =  1189,  1191,  1193,  1211,
   r1 = -154.3, r2 = -153.3, r3 = -93.3, r4 = -92.3,
 &end

# 79 LYS PSI:  (79 LYS N)-(79 LYS CA)-(79 LYS C)-(80 ASP N)  90.4 150.4
 &rst     iat =  1191,  1193,  1211,  1213,
   r1 =  89.4, r2 =  90.4, r3 = 150.4, r4 = 151.4,
 &end

# 85 GLU PHI:  (84 VAL C)-(85 GLU N)-(85 GLU CA)-(85 GLU C) -169.7 -109.7
 &rst     iat =  1277,  1279,  1281,  1292,
   r1 = -170.7, r2 = -169.7, r3 = -109.7, r4 = -108.7,
 &end

# 85 GLU PSI:  (85 GLU N)-(85 GLU CA)-(85 GLU C)-(86 THR N) 111.6 171.6
 &rst     iat =  1279,  1281,  1292,  1294,
   r1 = 110.6, r2 = 111.6, r3 = 171.6, r4 = 172.6,
 &end

# 86 THR PHI:  (85 GLU C)-(86 THR N)-(86 THR CA)-(86 THR C) -141.8 -81.8
 &rst     iat =  1292,  1294,  1296,  1306,
   r1 = -142.8, r2 = -141.8, r3 = -81.8, r4 = -80.8,
 &end

# 86 THR PSI:  (86 THR N)-(86 THR CA)-(86 THR C)-(87 SER N)  90.4 150.4
 &rst     iat =  1294,  1296,  1306,  1308,
   r1 =  89.4, r2 =  90.4, r3 = 150.4, r4 = 151.4,
 &end

# 87 SER PHI:  (86 THR C)-(87 SER N)-(87 SER CA)-(87 SER C) -144.4 -84.4
 &rst     iat =  1306,  1308,  1310,  1317,
   r1 = -145.4, r2 = -144.4, r3 = -84.4, r4 = -83.4,
 &end

# 87 SER PSI:  (87 SER N)-(87 SER CA)-(87 SER C)-(88 VAL N)  91.4 151.4
 &rst     iat =  1308,  1310,  1317,  1319,
   r1 =  90.4, r2 =  91.4, r3 = 151.4, r4 = 152.4,
 &end

# 88 VAL PHI:  (87 SER C)-(88 VAL N)-(88 VAL CA)-(88 VAL C) -132.9 -72.9
 &rst     iat =  1317,  1319,  1321,  1333,
   r1 = -133.9, r2 = -132.9, r3 = -72.9, r4 = -71.9,
 &end

# 88 VAL PSI:  (88 VAL N)-(88 VAL CA)-(88 VAL C)-(89 GLY N)  96.7 156.7
 &rst     iat =  1319,  1321,  1333,  1335,
   r1 =  95.7, r2 =  96.7, r3 = 156.7, r4 = 157.7,
 &end

# 91 LYS PHI:  (90 PHE C)-(91 LYS N)-(91 LYS CA)-(91 LYS C) -148.8 -88.8
 &rst     iat =  1360,  1362,  1364,  1382,
   r1 = -149.8, r2 = -148.8, r3 = -88.8, r4 = -87.8,
 &end

# 91 LYS PSI:  (91 LYS N)-(91 LYS CA)-(91 LYS C)-(92 PRO N) 103.1 163.1
 &rst     iat =  1362,  1364,  1382,  1384,
   r1 = 102.1, r2 = 103.1, r3 = 163.1, r4 = 164.1,
 &end

# 93 LYS PHI:  (92 PRO C)-(93 LYS N)-(93 LYS CA)-(93 LYS C) -92.5 -32.5
 &rst     iat =  1396,  1398,  1400,  1418,
   r1 = -93.5, r2 = -92.5, r3 = -32.5, r4 = -31.5,
 &end

# 93 LYS PSI:  (93 LYS N)-(93 LYS CA)-(93 LYS C)-(94 GLU N) -66.2  -6.2
 &rst     iat =  1398,  1400,  1418,  1420,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end

# 94 GLU PHI:  (93 LYS C)-(94 GLU N)-(94 GLU CA)-(94 GLU C) -93.6 -33.6
 &rst     iat =  1418,  1420,  1422,  1433,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 94 GLU PSI:  (94 GLU N)-(94 GLU CA)-(94 GLU C)-(95 ALA N) -64.2  -4.2
 &rst     iat =  1420,  1422,  1433,  1435,
   r1 = -65.2, r2 = -64.2, r3 =  -4.2, r4 =  -3.2,
 &end

# 95 ALA PHI:  (94 GLU C)-(95 ALA N)-(95 ALA CA)-(95 ALA C) -94.9 -34.9
 &rst     iat =  1433,  1435,  1437,  1443,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 95 ALA PSI:  (95 ALA N)-(95 ALA CA)-(95 ALA C)-(96 LEU N) -74.4 -14.4
 &rst     iat =  1435,  1437,  1443,  1445,
   r1 = -75.4, r2 = -74.4, r3 = -14.4, r4 = -13.4,
 &end

# 96 LEU PHI:  (95 ALA C)-(96 LEU N)-(96 LEU CA)-(96 LEU C) -94.2 -34.2
 &rst     iat =  1443,  1445,  1447,  1462,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 96 LEU PSI:  (96 LEU N)-(96 LEU CA)-(96 LEU C)-(97 GLN N) -69.5  -9.5
 &rst     iat =  1445,  1447,  1462,  1464,
   r1 = -70.5, r2 = -69.5, r3 =  -9.5, r4 =  -8.5,
 &end

# 97 GLN PHI:  (96 LEU C)-(97 GLN N)-(97 GLN CA)-(97 GLN C) -94.9 -34.9
 &rst     iat =  1462,  1464,  1466,  1479,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 97 GLN PSI:  (97 GLN N)-(97 GLN CA)-(97 GLN C)-(98 GLU N) -71.3 -11.3
 &rst     iat =  1464,  1466,  1479,  1481,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end

# 98 GLU PHI:  (97 GLN C)-(98 GLU N)-(98 GLU CA)-(98 GLU C) -95.1 -35.1
 &rst     iat =  1479,  1481,  1483,  1494,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 98 GLU PSI:  (98 GLU N)-(98 GLU CA)-(98 GLU C)-(99 LEU N) -66.2  -6.2
 &rst     iat =  1481,  1483,  1494,  1496,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end

# 99 LEU PHI:  (98 GLU C)-(99 LEU N)-(99 LEU CA)-(99 LEU C) -94.3 -34.3
 &rst     iat =  1494,  1496,  1498,  1513,
   r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3,
 &end

# 99 LEU PSI:  (99 LEU N)-(99 LEU CA)-(99 LEU C)-(100 VAL N) -68.8  -8.8
 &rst     iat =  1496,  1498,  1513,  1515,
   r1 = -69.8, r2 = -68.8, r3 =  -8.8, r4 =  -7.8,
 &end

# 100 VAL PHI:  (99 LEU C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -97.9 -37.9
 &rst     iat =  1513,  1515,  1517,  1529,
   r1 = -98.9, r2 = -97.9, r3 = -37.9, r4 = -36.9,
 &end

# 100 VAL PSI:  (100 VAL N)-(100 VAL CA)-(100 VAL C)-(101 ASN N) -72.7 -12.7
 &rst     iat =  1515,  1517,  1529,  1531,
   r1 = -73.7, r2 = -72.7, r3 = -12.7, r4 = -11.7,
 &end

# 101 ASN PHI:  (100 VAL C)-(101 ASN N)-(101 ASN CA)-(101 ASN C) -96.0 -36.0
 &rst     iat =  1529,  1531,  1533,  1543,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 101 ASN PSI:  (101 ASN N)-(101 ASN CA)-(101 ASN C)-(102 LYS N) -67.2  -7.2
 &rst     iat =  1531,  1533,  1543,  1545,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end

# 32 CYS CHI1:  (32 CYS N)-(32 CYS CA)-(32 CYS CB)-(32 CYS SG) -90.0 -30.0
 &rst     iat =   450,   452,   454,   457,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          H1        MET   1   3.006   4.140  -3.973
    2   2H    MET   1          H2        MET   1   2.259   3.063  -2.992
    3   3H    MET   1          H3        MET   1   2.671   4.534  -2.415
    4    HA   MET   1           HA       MET   1   4.533   2.432  -3.269
    5   1HB   MET   1          HB2       MET   1   5.358   4.759  -3.708
    6   2HB   MET   1          HB3       MET   1   5.195   5.122  -1.984
    7   1HG   MET   1          HG2       MET   1   6.799   3.278  -1.481
    8   2HG   MET   1          HG3       MET   1   6.985   2.974  -3.207
    9   1HE   MET   1          HE1       MET   1   7.283   5.806  -4.589
   10   2HE   MET   1          HE2       MET   1   9.038   6.022  -4.461
   11   3HE   MET   1          HE3       MET   1   8.372   4.421  -4.842
   12    H    ALA   2           H        ALA   2   5.073   0.969  -1.736
   13    HA   ALA   2           HA       ALA   2   3.563   0.834   0.639
   14   1HB   ALA   2          HB1       ALA   2   6.068  -0.698  -0.130
   15   2HB   ALA   2          HB2       ALA   2   4.861  -1.230   1.060
   16   3HB   ALA   2          HB3       ALA   2   4.420  -1.153  -0.665
   17    H    ILE   3           H        ILE   3   6.405   2.259   0.098
   18    HA   ILE   3           HA       ILE   3   7.496   1.989   2.802
   19    HB   ILE   3           HB       ILE   3   8.438   3.522   0.380
   20   1HG1  ILE   3          HG12      ILE   3   9.870   1.033   1.305
   21   2HG1  ILE   3          HG13      ILE   3   8.314   0.796   0.510
   22   1HG2  ILE   3          HG21      ILE   3  10.697   3.542   1.527
   23   2HG2  ILE   3          HG22      ILE   3   9.486   4.476   2.406
   24   3HG2  ILE   3          HG23      ILE   3   9.931   2.858   2.977
   25   1HD1  ILE   3          HD11      ILE   3  10.144   0.745  -1.106
   26   2HD1  ILE   3          HD12      ILE   3   8.996   2.065  -1.417
   27   3HD1  ILE   3          HD13      ILE   3  10.591   2.413  -0.688
   28    H    VAL   4           H        VAL   4   7.325   3.428   4.380
   29    HA   VAL   4           HA       VAL   4   6.016   6.054   3.913
   30    HB   VAL   4           HB       VAL   4   5.353   4.102   6.154
   31   1HG1  VAL   4          HG11      VAL   4   3.274   5.467   6.351
   32   2HG1  VAL   4          HG12      VAL   4   4.724   6.400   6.680
   33   3HG1  VAL   4          HG13      VAL   4   3.899   6.569   5.108
   34   1HG2  VAL   4          HG21      VAL   4   3.880   4.421   3.500
   35   2HG2  VAL   4          HG22      VAL   4   4.606   2.940   4.161
   36   3HG2  VAL   4          HG23      VAL   4   3.188   3.635   4.933
   37    H    LYS   5           H        LYS   5   6.369   7.475   5.801
   38    HA   LYS   5           HA       LYS   5   9.052   7.095   7.120
   39   1HB   LYS   5          HB2       LYS   5   7.801   9.583   5.904
   40   2HB   LYS   5          HB3       LYS   5   9.247   9.514   6.910
   41   1HG   LYS   5          HG2       LYS   5   9.997   7.651   5.102
   42   2HG   LYS   5          HG3       LYS   5   8.791   8.467   4.097
   43   1HD   LYS   5          HD2       LYS   5  10.913   9.510   3.629
   44   2HD   LYS   5          HD3       LYS   5   9.992  10.652   4.630
   45   1HE   LYS   5          HE2       LYS   5  11.169   9.292   6.623
   46   2HE   LYS   5          HE3       LYS   5  12.320   8.847   5.371
   47   1HZ   LYS   5          HZ1       LYS   5  11.659  11.654   6.099
   48   2HZ   LYS   5          HZ2       LYS   5  13.031  10.890   6.512
   49   3HZ   LYS   5          HZ3       LYS   5  12.726  11.214   4.945
   50    H    ALA   6           H        ALA   6   8.791   7.099   9.316
   51    HA   ALA   6           HA       ALA   6   6.366   8.417  10.485
   52   1HB   ALA   6          HB1       ALA   6   5.889   6.009  10.160
   53   2HB   ALA   6          HB2       ALA   6   7.347   5.602  11.107
   54   3HB   ALA   6          HB3       ALA   6   5.980   6.434  11.876
   55    H    THR   7           H        THR   7   6.456   8.549  12.849
   56    HA   THR   7           HA       THR   7   9.142   8.603  14.065
   57    HB   THR   7           HB       THR   7   8.357  10.675  15.300
   58    HG1  THR   7           HG1      THR   7   6.759  11.920  14.289
   59   1HG2  THR   7          HG21      THR   7   8.719  11.063  12.286
   60   2HG2  THR   7          HG22      THR   7   9.046  12.259  13.562
   61   3HG2  THR   7          HG23      THR   7  10.032  10.795  13.449
   62    H    ASP   8           H        ASP   8   8.736   8.828  16.550
   63    HA   ASP   8           HA       ASP   8   7.302   6.692  17.513
   64   1HB   ASP   8          HB2       ASP   8   9.041   8.115  18.711
   65   2HB   ASP   8          HB3       ASP   8   7.765   9.282  19.039
   66    H    GLN   9           H        GLN   9   6.083   9.898  16.789
   67    HA   GLN   9           HA       GLN   9   3.640   9.830  18.243
   68   1HB   GLN   9          HB2       GLN   9   4.422  11.353  15.722
   69   2HB   GLN   9          HB3       GLN   9   3.000  11.690  16.712
   70   1HG   GLN   9          HG2       GLN   9   4.469  12.200  18.658
   71   2HG   GLN   9          HG3       GLN   9   5.895  11.926  17.655
   72   1HE2  GLN   9          HE22      GLN   9   3.190  14.139  18.296
   73   2HE2  GLN   9          HE21      GLN   9   3.784  15.448  17.308
   74    H    SER  10           H        SER  10   4.528   8.539  15.056
   75    HA   SER  10           HA       SER  10   1.687   7.873  14.481
   76   1HB   SER  10          HB2       SER  10   2.482   8.102  12.105
   77   2HB   SER  10          HB3       SER  10   2.530   9.584  13.080
   78    HG   SER  10           HG       SER  10   4.415   9.430  11.941
   79    H    PHE  11           H        PHE  11   4.812   6.478  14.987
   80    HA   PHE  11           HA       PHE  11   4.960   4.404  13.262
   81   1HB   PHE  11          HB2       PHE  11   6.635   5.095  14.986
   82   2HB   PHE  11          HB3       PHE  11   5.679   4.296  16.225
   83    HD1  PHE  11           HD1      PHE  11   7.606   3.801  13.071
   84    HD2  PHE  11           HD2      PHE  11   5.913   1.901  16.559
   85    HE1  PHE  11           HE1      PHE  11   8.842   1.737  12.544
   86    HE2  PHE  11           HE2      PHE  11   7.147  -0.180  16.013
   87    HZ   PHE  11           HZ       PHE  11   8.613  -0.274  14.019
   88    H    SER  12           H        SER  12   3.218   4.193  16.439
   89    HA   SER  12           HA       SER  12   2.450   1.519  16.153
   90   1HB   SER  12          HB2       SER  12   0.896   3.675  17.625
   91   2HB   SER  12          HB3       SER  12   0.988   1.946  18.010
   92    HG   SER  12           HG       SER  12   2.354   3.226  19.345
   93    H    ALA  13           H        ALA  13   0.826   4.474  15.010
   94    HA   ALA  13           HA       ALA  13  -1.620   3.186  14.269
   95   1HB   ALA  13          HB1       ALA  13  -1.473   5.629  14.631
   96   2HB   ALA  13          HB2       ALA  13  -0.391   5.776  13.223
   97   3HB   ALA  13          HB3       ALA  13  -2.069   5.249  13.003
   98    H    GLU  14           H        GLU  14   1.392   4.008  12.532
   99    HA   GLU  14           HA       GLU  14   0.486   3.051  10.008
  100   1HB   GLU  14          HB2       GLU  14   3.293   3.469  11.127
  101   2HB   GLU  14          HB3       GLU  14   2.994   2.949   9.473
  102   1HG   GLU  14          HG2       GLU  14   2.074   5.565  10.718
  103   2HG   GLU  14          HG3       GLU  14   3.387   5.351   9.562
  104    H    THR  15           H        THR  15   2.322   1.435  12.638
  105    HA   THR  15           HA       THR  15   2.620  -0.986  11.140
  106    HB   THR  15           HB       THR  15   3.560  -1.821  13.309
  107    HG1  THR  15           HG1      THR  15   3.340   0.867  14.137
  108   1HG2  THR  15          HG21      THR  15   4.673   0.767  12.131
  109   2HG2  THR  15          HG22      THR  15   5.538  -0.260  13.282
  110   3HG2  THR  15          HG23      THR  15   5.095  -0.902  11.697
  111    H    SER  16           H        SER  16  -0.133   0.186  12.633
  112    HA   SER  16           HA       SER  16  -1.061  -2.321  13.664
  113   1HB   SER  16          HB2       SER  16  -2.501   0.233  12.868
  114   2HB   SER  16          HB3       SER  16  -3.297  -1.139  13.658
  115    HG   SER  16           HG       SER  16  -1.109   0.363  14.729
  116    H    GLU  17           H        GLU  17  -0.893  -1.041  10.437
  117    HA   GLU  17           HA       GLU  17  -3.215  -2.567   9.541
  118   1HB   GLU  17          HB2       GLU  17  -1.313  -0.747   8.023
  119   2HB   GLU  17          HB3       GLU  17  -2.754  -1.526   7.341
  120   1HG   GLU  17          HG2       GLU  17  -4.129  -0.406   9.148
  121   2HG   GLU  17          HG3       GLU  17  -2.691   0.517   9.598
  122    H    GLY  18           H        GLY  18  -2.177  -4.636  10.296
  123   1HA   GLY  18          HA2       GLY  18  -1.922  -6.757   9.369
  124   2HA   GLY  18          HA3       GLY  18  -1.414  -6.037   7.838
  125    H    VAL  19           H        VAL  19   0.393  -7.398   7.661
  126    HA   VAL  19           HA       VAL  19   2.553  -7.304   9.650
  127    HB   VAL  19           HB       VAL  19   2.536  -8.358   6.784
  128   1HG1  VAL  19          HG11      VAL  19   4.668  -8.575   8.969
  129   2HG1  VAL  19          HG12      VAL  19   4.684  -9.476   7.441
  130   3HG1  VAL  19          HG13      VAL  19   4.846  -7.717   7.426
  131   1HG2  VAL  19          HG21      VAL  19   2.597 -10.586   7.868
  132   2HG2  VAL  19          HG22      VAL  19   2.466  -9.825   9.463
  133   3HG2  VAL  19          HG23      VAL  19   1.123  -9.716   8.301
  134    H    VAL  20           H        VAL  20   4.127  -5.814   9.679
  135    HA   VAL  20           HA       VAL  20   4.506  -3.964   7.404
  136    HB   VAL  20           HB       VAL  20   4.127  -3.146  10.327
  137   1HG1  VAL  20          HG11      VAL  20   4.619  -1.474   7.823
  138   2HG1  VAL  20          HG12      VAL  20   4.198  -0.822   9.415
  139   3HG1  VAL  20          HG13      VAL  20   5.731  -1.668   9.189
  140   1HG2  VAL  20          HG21      VAL  20   2.272  -2.928   7.916
  141   2HG2  VAL  20          HG22      VAL  20   1.930  -3.607   9.515
  142   3HG2  VAL  20          HG23      VAL  20   2.093  -1.864   9.308
  143    H    LEU  21           H        LEU  21   6.711  -3.349   7.247
  144    HA   LEU  21           HA       LEU  21   8.560  -4.674   9.191
  145   1HB   LEU  21          HB2       LEU  21   8.272  -5.872   7.031
  146   2HB   LEU  21          HB3       LEU  21   8.974  -4.477   6.191
  147    HG   LEU  21           HG       LEU  21  10.333  -6.105   8.398
  148   1HD1  LEU  21          HD11      LEU  21  11.679  -7.111   6.584
  149   2HD1  LEU  21          HD12      LEU  21   9.963  -7.474   6.409
  150   3HD1  LEU  21          HD13      LEU  21  10.711  -6.233   5.377
  151   1HD2  LEU  21          HD21      LEU  21  12.441  -5.055   7.408
  152   2HD2  LEU  21          HD22      LEU  21  11.376  -3.871   6.626
  153   3HD2  LEU  21          HD23      LEU  21  11.433  -4.016   8.406
  154    H    ALA  22           H        ALA  22   9.255  -3.077  10.391
  155    HA   ALA  22           HA       ALA  22   9.468  -0.352   9.351
  156   1HB   ALA  22          HB1       ALA  22   9.917  -1.597  12.083
  157   2HB   ALA  22          HB2       ALA  22  10.097   0.132  11.727
  158   3HB   ALA  22          HB3       ALA  22   8.501  -0.649  11.564
  159    H    ASP  23           H        ASP  23  11.405   0.778   9.314
  160    HA   ASP  23           HA       ASP  23  13.961  -0.775   9.282
  161   1HB   ASP  23          HB2       ASP  23  13.345  -0.488   7.003
  162   2HB   ASP  23          HB3       ASP  23  12.785   1.162   7.271
  163    H    PHE  24           H        PHE  24  14.688  -0.105  11.196
  164    HA   PHE  24           HA       PHE  24  14.598   2.688  12.111
  165   1HB   PHE  24          HB2       PHE  24  15.740   0.101  13.249
  166   2HB   PHE  24          HB3       PHE  24  16.038   1.676  13.958
  167    HD1  PHE  24           HD1      PHE  24  14.559   2.495  15.610
  168    HD2  PHE  24           HD2      PHE  24  13.154  -0.512  12.851
  169    HE1  PHE  24           HE1      PHE  24  12.338   2.534  16.691
  170    HE2  PHE  24           HE2      PHE  24  10.944  -0.473  13.959
  171    HZ   PHE  24           HZ       PHE  24  10.499   1.100  15.813
  172    H    TRP  25           H        TRP  25  15.966   4.072  11.202
  173    HA   TRP  25           HA       TRP  25  18.674   3.296  10.478
  174   1HB   TRP  25          HB2       TRP  25  18.361   3.062   8.287
  175   2HB   TRP  25          HB3       TRP  25  16.652   3.007   8.571
  176    HD1  TRP  25           HD1      TRP  25  19.219   4.908   6.725
  177    HE1  TRP  25           HE1      TRP  25  18.198   6.946   5.563
  178    HE3  TRP  25           HE3      TRP  25  14.793   5.140   9.243
  179    HZ2  TRP  25           HZ2      TRP  25  15.926   8.688   5.940
  180    HZ3  TRP  25           HZ3      TRP  25  13.279   7.105   8.937
  181    HH2  TRP  25           HH2      TRP  25  13.856   8.877   7.319
  182    H    ALA  26           H        ALA  26  19.510   5.553   9.163
  183    HA   ALA  26           HA       ALA  26  18.197   7.928  10.067
  184   1HB   ALA  26          HB1       ALA  26  19.632   7.493  12.077
  185   2HB   ALA  26          HB2       ALA  26  21.067   7.444  11.024
  186   3HB   ALA  26          HB3       ALA  26  20.117   8.945  11.199
  187    HA   PRO  27           HA       PRO  27  19.985   8.743   6.052
  188   1HB   PRO  27          HB2       PRO  27  20.304  11.620   6.816
  189   2HB   PRO  27          HB3       PRO  27  19.514  10.886   5.379
  190   1HG   PRO  27          HG2       PRO  27  18.047  11.893   7.478
  191   2HG   PRO  27          HG3       PRO  27  17.546  10.408   6.613
  192   1HD   PRO  27          HD2       PRO  27  18.977  10.640   9.266
  193   2HD   PRO  27          HD3       PRO  27  17.645   9.544   8.776
  194    H    TRP  28           H        TRP  28  21.754   9.634   8.950
  195    HA   TRP  28           HA       TRP  28  24.201  10.273   7.611
  196   1HB   TRP  28          HB2       TRP  28  24.212   9.280  10.421
  197   2HB   TRP  28          HB3       TRP  28  25.080  10.629   9.700
  198    HD1  TRP  28           HD1      TRP  28  22.229   9.775  11.779
  199    HE1  TRP  28           HE1      TRP  28  20.543  11.671  12.123
  200    HE3  TRP  28           HE3      TRP  28  24.018  13.019   8.274
  201    HZ2  TRP  28           HZ2      TRP  28  20.068  14.323  11.018
  202    HZ3  TRP  28           HZ3      TRP  28  22.919  15.215   7.912
  203    HH2  TRP  28           HH2      TRP  28  20.948  15.875   9.277
  204    H    CYS  29           H        CYS  29  22.560   7.333   8.123
  205    HA   CYS  29           HA       CYS  29  24.617   5.509   8.751
  206   1HB   CYS  29          HB2       CYS  29  22.088   5.218   8.920
  207   2HB   CYS  29          HB3       CYS  29  22.061   5.081   7.190
  208    H    GLY  30           H        GLY  30  25.708   3.991   7.384
  209   1HA   GLY  30          HA2       GLY  30  25.994   4.727   4.500
  210   2HA   GLY  30          HA3       GLY  30  27.152   3.807   5.461
  211    HA   PRO  31           HA       PRO  31  25.418  -0.087   4.372
  212   1HB   PRO  31          HB2       PRO  31  24.435  -0.553   7.195
  213   2HB   PRO  31          HB3       PRO  31  25.316  -1.678   6.119
  214   1HG   PRO  31          HG2       PRO  31  26.652  -0.343   8.048
  215   2HG   PRO  31          HG3       PRO  31  27.356  -0.451   6.401
  216   1HD   PRO  31          HD2       PRO  31  25.862   1.853   7.662
  217   2HD   PRO  31          HD3       PRO  31  27.343   1.877   6.656
  218    H    CYS  32           H        CYS  32  23.105   1.836   6.319
  219    HA   CYS  32           HA       CYS  32  20.721   0.542   5.583
  220   1HB   CYS  32          HB2       CYS  32  21.064   3.532   5.910
  221   2HB   CYS  32          HB3       CYS  32  19.605   2.591   6.128
  222    H    LYS  33           H        LYS  33  22.761   2.793   3.702
  223    HA   LYS  33           HA       LYS  33  20.771   3.390   1.715
  224   1HB   LYS  33          HB2       LYS  33  23.799   3.508   1.437
  225   2HB   LYS  33          HB3       LYS  33  22.616   4.377   0.468
  226   1HG   LYS  33          HG2       LYS  33  23.120   4.828   3.449
  227   2HG   LYS  33          HG3       LYS  33  23.794   5.786   2.141
  228   1HD   LYS  33          HD2       LYS  33  21.630   6.649   1.518
  229   2HD   LYS  33          HD3       LYS  33  20.788   5.507   2.566
  230   1HE   LYS  33          HE2       LYS  33  20.893   7.836   3.508
  231   2HE   LYS  33          HE3       LYS  33  21.534   6.577   4.566
  232   1HZ   LYS  33          HZ1       LYS  33  23.277   8.260   2.860
  233   2HZ   LYS  33          HZ2       LYS  33  22.895   8.611   4.418
  234   3HZ   LYS  33          HZ3       LYS  33  23.721   7.250   4.106
  235    H    MET  34           H        MET  34  22.899   0.631   2.271
  236    HA   MET  34           HA       MET  34  22.851  -0.342  -0.434
  237   1HB   MET  34          HB2       MET  34  23.251  -1.931   2.123
  238   2HB   MET  34          HB3       MET  34  23.700  -2.418   0.488
  239   1HG   MET  34          HG2       MET  34  25.308  -0.482   0.420
  240   2HG   MET  34          HG3       MET  34  24.928  -0.160   2.110
  241   1HE   MET  34          HE1       MET  34  24.721  -3.681   2.808
  242   2HE   MET  34          HE2       MET  34  26.208  -3.596   3.772
  243   3HE   MET  34          HE3       MET  34  24.987  -2.307   3.897
  244    H    ILE  35           H        ILE  35  20.853  -0.888   2.501
  245    HA   ILE  35           HA       ILE  35  19.274  -2.881   1.121
  246    HB   ILE  35           HB       ILE  35  19.874  -3.156   3.460
  247   1HG1  ILE  35          HG12      ILE  35  16.862  -3.036   3.073
  248   2HG1  ILE  35          HG13      ILE  35  17.922  -4.305   2.450
  249   1HG2  ILE  35          HG21      ILE  35  17.978  -0.847   4.018
  250   2HG2  ILE  35          HG22      ILE  35  18.743  -1.883   5.246
  251   3HG2  ILE  35          HG23      ILE  35  19.751  -0.869   4.238
  252   1HD1  ILE  35          HD11      ILE  35  16.861  -5.066   4.484
  253   2HD1  ILE  35          HD12      ILE  35  18.596  -4.866   4.786
  254   3HD1  ILE  35          HD13      ILE  35  17.429  -3.662   5.385
  255    H    ALA  36           H        ALA  36  18.996   0.609   1.578
  256    HA   ALA  36           HA       ALA  36  16.297   1.011   1.303
  257   1HB   ALA  36          HB1       ALA  36  18.519   2.610  -0.026
  258   2HB   ALA  36          HB2       ALA  36  16.850   3.155   0.221
  259   3HB   ALA  36          HB3       ALA  36  17.888   2.818   1.619
  260    HA   PRO  37           HA       PRO  37  16.156   0.474  -3.427
  261   1HB   PRO  37          HB2       PRO  37  18.084  -1.015  -4.737
  262   2HB   PRO  37          HB3       PRO  37  18.108   0.768  -4.581
  263   1HG   PRO  37          HG2       PRO  37  19.533  -1.273  -2.854
  264   2HG   PRO  37          HG3       PRO  37  20.206   0.219  -3.588
  265   1HD   PRO  37          HD2       PRO  37  19.408   0.191  -1.017
  266   2HD   PRO  37          HD3       PRO  37  19.056   1.604  -2.046
  267    H    VAL  38           H        VAL  38  17.434  -2.061  -1.302
  268    HA   VAL  38           HA       VAL  38  16.045  -4.221  -2.592
  269    HB   VAL  38           HB       VAL  38  16.925  -4.117   0.316
  270   1HG1  VAL  38          HG11      VAL  38  15.487  -6.037  -0.433
  271   2HG1  VAL  38          HG12      VAL  38  16.759  -6.448  -1.607
  272   3HG1  VAL  38          HG13      VAL  38  17.097  -6.506   0.136
  273   1HG2  VAL  38          HG21      VAL  38  19.050  -5.171  -0.430
  274   2HG2  VAL  38          HG22      VAL  38  18.592  -4.897  -2.125
  275   3HG2  VAL  38          HG23      VAL  38  18.910  -3.525  -1.051
  276    H    LEU  39           H        LEU  39  15.272  -1.924   0.121
  277    HA   LEU  39           HA       LEU  39  12.661  -2.932   0.574
  278   1HB   LEU  39          HB2       LEU  39  13.732  -0.112   0.965
  279   2HB   LEU  39          HB3       LEU  39  12.193  -0.704   1.561
  280    HG   LEU  39           HG       LEU  39  14.934  -1.731   2.396
  281   1HD1  LEU  39          HD11      LEU  39  14.400   0.515   3.264
  282   2HD1  LEU  39          HD12      LEU  39  12.886  -0.102   3.954
  283   3HD1  LEU  39          HD13      LEU  39  14.449  -0.694   4.553
  284   1HD2  LEU  39          HD21      LEU  39  12.164  -2.581   3.345
  285   2HD2  LEU  39          HD22      LEU  39  13.373  -3.591   2.521
  286   3HD2  LEU  39          HD23      LEU  39  13.690  -3.002   4.154
  287    H    GLU  40           H        GLU  40  13.865  -0.537  -1.854
  288    HA   GLU  40           HA       GLU  40  11.247  -0.021  -2.879
  289   1HB   GLU  40          HB2       GLU  40  13.954   0.133  -4.248
  290   2HB   GLU  40          HB3       GLU  40  12.433   0.632  -4.991
  291   1HG   GLU  40          HG2       GLU  40  12.048   2.246  -3.142
  292   2HG   GLU  40          HG3       GLU  40  13.593   1.795  -2.424
  293    H    GLU  41           H        GLU  41  13.582  -2.646  -3.645
  294    HA   GLU  41           HA       GLU  41  11.902  -3.820  -5.644
  295   1HB   GLU  41          HB2       GLU  41  14.099  -4.981  -3.910
  296   2HB   GLU  41          HB3       GLU  41  13.189  -5.939  -5.083
  297   1HG   GLU  41          HG2       GLU  41  13.813  -4.357  -6.891
  298   2HG   GLU  41          HG3       GLU  41  14.780  -3.424  -5.758
  299    H    LEU  42           H        LEU  42  11.975  -4.107  -2.101
  300    HA   LEU  42           HA       LEU  42   9.882  -6.067  -1.993
  301   1HB   LEU  42          HB2       LEU  42  10.852  -4.058   0.075
  302   2HB   LEU  42          HB3       LEU  42   9.525  -5.190   0.357
  303    HG   LEU  42           HG       LEU  42  12.447  -5.830  -0.085
  304   1HD1  LEU  42          HD11      LEU  42  11.571  -5.081   2.158
  305   2HD1  LEU  42          HD12      LEU  42  10.523  -6.515   2.174
  306   3HD1  LEU  42          HD13      LEU  42  12.289  -6.687   2.138
  307   1HD2  LEU  42          HD21      LEU  42  11.855  -8.230   0.171
  308   2HD2  LEU  42          HD22      LEU  42  10.132  -7.816   0.067
  309   3HD2  LEU  42          HD23      LEU  42  11.195  -7.580  -1.336
  310    H    ASP  43           H        ASP  43   9.673  -2.445  -2.019
  311    HA   ASP  43           HA       ASP  43   6.857  -2.282  -1.902
  312   1HB   ASP  43          HB2       ASP  43   8.102  -0.234  -2.050
  313   2HB   ASP  43          HB3       ASP  43   8.830  -0.703  -3.593
  314    H    GLN  44           H        GLN  44   8.971  -2.956  -4.684
  315    HA   GLN  44           HA       GLN  44   6.794  -3.195  -6.520
  316   1HB   GLN  44          HB2       GLN  44   9.731  -3.945  -6.711
  317   2HB   GLN  44          HB3       GLN  44   8.613  -4.005  -8.079
  318   1HG   GLN  44          HG2       GLN  44   8.195  -1.637  -7.991
  319   2HG   GLN  44          HG3       GLN  44   9.011  -1.456  -6.439
  320   1HE2  GLN  44          HE22      GLN  44  11.289  -1.565  -6.327
  321   2HE2  GLN  44          HE21      GLN  44  12.310  -1.360  -7.750
  322    H    GLU  45           H        GLU  45   8.063  -5.524  -4.303
  323    HA   GLU  45           HA       GLU  45   6.927  -7.802  -5.833
  324   1HB   GLU  45          HB2       GLU  45   9.207  -7.532  -3.847
  325   2HB   GLU  45          HB3       GLU  45   8.566  -9.096  -4.376
  326   1HG   GLU  45          HG2       GLU  45   8.948  -8.546  -6.748
  327   2HG   GLU  45          HG3       GLU  45   9.577  -6.965  -6.315
  328    H    MET  46           H        MET  46   6.731  -6.176  -2.748
  329    HA   MET  46           HA       MET  46   4.689  -8.175  -1.855
  330   1HB   MET  46          HB2       MET  46   6.611  -6.631  -0.078
  331   2HB   MET  46          HB3       MET  46   5.466  -7.889   0.388
  332   1HG   MET  46          HG2       MET  46   6.871  -9.351  -1.338
  333   2HG   MET  46          HG3       MET  46   8.104  -8.132  -1.007
  334   1HE   MET  46          HE1       MET  46   6.475 -11.468   1.665
  335   2HE   MET  46          HE2       MET  46   5.355 -10.310   0.898
  336   3HE   MET  46          HE3       MET  46   6.437 -11.299  -0.105
  337    H    GLY  47           H        GLY  47   5.005  -4.871  -2.707
  338   1HA   GLY  47          HA2       GLY  47   3.817  -3.513  -0.613
  339   2HA   GLY  47          HA3       GLY  47   3.721  -3.043  -2.317
  340    H    ASP  48           H        ASP  48   2.195  -5.852  -2.480
  341    HA   ASP  48           HA       ASP  48  -0.497  -4.775  -2.372
  342   1HB   ASP  48          HB2       ASP  48   0.197  -6.309  -4.156
  343   2HB   ASP  48          HB3       ASP  48   0.583  -7.553  -2.964
  344    H    LYS  49           H        LYS  49   1.598  -6.720  -0.315
  345    HA   LYS  49           HA       LYS  49  -0.602  -7.163   1.663
  346   1HB   LYS  49          HB2       LYS  49   1.888  -8.812   1.039
  347   2HB   LYS  49          HB3       LYS  49   0.764  -9.179   2.332
  348   1HG   LYS  49          HG2       LYS  49  -0.115  -9.115  -0.586
  349   2HG   LYS  49          HG3       LYS  49   0.655 -10.513   0.148
  350   1HD   LYS  49          HD2       LYS  49  -1.598 -11.045   0.347
  351   2HD   LYS  49          HD3       LYS  49  -1.133 -10.502   1.944
  352   1HE   LYS  49          HE2       LYS  49  -3.209  -9.510   1.649
  353   2HE   LYS  49          HE3       LYS  49  -2.115  -8.188   1.257
  354   1HZ   LYS  49          HZ1       LYS  49  -3.863  -8.346  -0.359
  355   2HZ   LYS  49          HZ2       LYS  49  -2.473  -8.738  -1.123
  356   3HZ   LYS  49          HZ3       LYS  49  -3.536  -9.907  -0.688
  357    H    LEU  50           H        LEU  50   2.542  -5.742   1.118
  358    HA   LEU  50           HA       LEU  50   3.072  -5.656   4.030
  359   1HB   LEU  50          HB2       LEU  50   4.630  -6.933   2.551
  360   2HB   LEU  50          HB3       LEU  50   4.904  -5.466   1.606
  361    HG   LEU  50           HG       LEU  50   5.949  -4.377   3.573
  362   1HD1  LEU  50          HD11      LEU  50   5.560  -7.099   4.898
  363   2HD1  LEU  50          HD12      LEU  50   6.549  -5.768   5.539
  364   3HD1  LEU  50          HD13      LEU  50   4.805  -5.579   5.408
  365   1HD2  LEU  50          HD21      LEU  50   7.335  -5.512   1.946
  366   2HD2  LEU  50          HD22      LEU  50   8.008  -5.745   3.566
  367   3HD2  LEU  50          HD23      LEU  50   7.109  -7.065   2.778
  368    H    LYS  51           H        LYS  51   3.897  -3.777   4.938
  369    HA   LYS  51           HA       LYS  51   3.978  -1.277   3.342
  370   1HB   LYS  51          HB2       LYS  51   1.942  -1.237   4.797
  371   2HB   LYS  51          HB3       LYS  51   2.955  -1.596   6.198
  372   1HG   LYS  51          HG2       LYS  51   4.244   0.575   5.647
  373   2HG   LYS  51          HG3       LYS  51   2.960   0.931   4.494
  374   1HD   LYS  51          HD2       LYS  51   2.600   0.455   7.491
  375   2HD   LYS  51          HD3       LYS  51   2.735   2.039   6.722
  376   1HE   LYS  51          HE2       LYS  51   0.694   1.548   5.367
  377   2HE   LYS  51          HE3       LYS  51   0.524  -0.003   6.213
  378   1HZ   LYS  51          HZ1       LYS  51  -0.837   1.739   7.219
  379   2HZ   LYS  51          HZ2       LYS  51   0.319   1.228   8.281
  380   3HZ   LYS  51          HZ3       LYS  51   0.495   2.669   7.496
  381    H    ILE  52           H        ILE  52   5.841  -0.022   3.953
  382    HA   ILE  52           HA       ILE  52   7.800  -1.435   5.684
  383    HB   ILE  52           HB       ILE  52   8.233   0.002   3.042
  384   1HG1  ILE  52          HG12      ILE  52   8.717  -2.925   3.733
  385   2HG1  ILE  52          HG13      ILE  52   7.313  -2.328   2.852
  386   1HG2  ILE  52          HG21      ILE  52  10.074   0.479   4.627
  387   2HG2  ILE  52          HG22      ILE  52  10.298  -1.267   4.890
  388   3HG2  ILE  52          HG23      ILE  52  10.615  -0.534   3.300
  389   1HD1  ILE  52          HD11      ILE  52   8.823  -1.433   1.059
  390   2HD1  ILE  52          HD12      ILE  52  10.176  -2.264   1.866
  391   3HD1  ILE  52          HD13      ILE  52   8.800  -3.183   1.235
  392    H    VAL  53           H        VAL  53   8.524  -0.053   7.342
  393    HA   VAL  53           HA       VAL  53   7.632   2.823   7.119
  394    HB   VAL  53           HB       VAL  53   7.314   0.927   9.470
  395   1HG1  VAL  53          HG11      VAL  53   6.661   3.902   9.248
  396   2HG1  VAL  53          HG12      VAL  53   6.174   2.839  10.590
  397   3HG1  VAL  53          HG13      VAL  53   7.883   3.179  10.317
  398   1HG2  VAL  53          HG21      VAL  53   5.273   2.416   7.749
  399   2HG2  VAL  53          HG22      VAL  53   5.596   0.677   7.692
  400   3HG2  VAL  53          HG23      VAL  53   4.907   1.396   9.154
  401    H    LYS  54           H        LYS  54   9.492   3.870   6.735
  402    HA   LYS  54           HA       LYS  54  11.978   3.161   8.108
  403   1HB   LYS  54          HB2       LYS  54  11.229   5.623   6.467
  404   2HB   LYS  54          HB3       LYS  54  12.856   5.156   6.989
  405   1HG   LYS  54          HG2       LYS  54  12.652   3.025   5.672
  406   2HG   LYS  54          HG3       LYS  54  11.084   3.567   5.078
  407   1HD   LYS  54          HD2       LYS  54  12.793   3.988   3.399
  408   2HD   LYS  54          HD3       LYS  54  12.098   5.496   3.985
  409   1HE   LYS  54          HE2       LYS  54  14.449   5.819   3.746
  410   2HE   LYS  54          HE3       LYS  54  14.074   5.833   5.469
  411   1HZ   LYS  54          HZ1       LYS  54  16.040   4.531   5.064
  412   2HZ   LYS  54          HZ2       LYS  54  14.892   3.472   5.542
  413   3HZ   LYS  54          HZ3       LYS  54  15.292   3.588   3.961
  414    H    ILE  55           H        ILE  55  12.757   4.109   9.989
  415    HA   ILE  55           HA       ILE  55  11.448   6.544  10.999
  416    HB   ILE  55           HB       ILE  55  10.136   4.861  12.012
  417   1HG1  ILE  55          HG12      ILE  55  12.088   5.807  14.143
  418   2HG1  ILE  55          HG13      ILE  55  10.941   6.875  13.328
  419   1HG2  ILE  55          HG21      ILE  55  11.626   2.884  11.838
  420   2HG2  ILE  55          HG22      ILE  55  12.635   3.546  13.142
  421   3HG2  ILE  55          HG23      ILE  55  10.960   3.070  13.457
  422   1HD1  ILE  55          HD11      ILE  55  10.008   6.168  15.455
  423   2HD1  ILE  55          HD12      ILE  55   9.049   5.489  14.131
  424   3HD1  ILE  55          HD13      ILE  55  10.196   4.461  15.027
  425    H    ASP  56           H        ASP  56  12.853   7.958  11.662
  426    HA   ASP  56           HA       ASP  56  15.685   7.388  11.331
  427   1HB   ASP  56          HB2       ASP  56  14.730   9.369  10.332
  428   2HB   ASP  56          HB3       ASP  56  14.183   9.952  11.906
  429    H    VAL  57           H        VAL  57  16.673   6.426  13.086
  430    HA   VAL  57           HA       VAL  57  15.626   6.524  15.710
  431    HB   VAL  57           HB       VAL  57  17.668   5.427  16.425
  432   1HG1  VAL  57          HG11      VAL  57  16.804   4.338  13.716
  433   2HG1  VAL  57          HG12      VAL  57  17.477   3.432  15.088
  434   3HG1  VAL  57          HG13      VAL  57  15.878   4.186  15.219
  435   1HG2  VAL  57          HG21      VAL  57  18.794   5.913  13.635
  436   2HG2  VAL  57          HG22      VAL  57  19.392   6.641  15.137
  437   3HG2  VAL  57          HG23      VAL  57  19.515   4.897  14.895
  438    H    ASP  58           H        ASP  58  17.707   8.859  14.080
  439    HA   ASP  58           HA       ASP  58  19.000   9.870  16.441
  440   1HB   ASP  58          HB2       ASP  58  19.830  10.224  14.128
  441   2HB   ASP  58          HB3       ASP  58  18.436  11.264  13.803
  442    H    GLU  59           H        GLU  59  15.773  10.217  15.244
  443    HA   GLU  59           HA       GLU  59  15.224  12.419  17.200
  444   1HB   GLU  59          HB2       GLU  59  13.869  11.788  14.548
  445   2HB   GLU  59          HB3       GLU  59  13.327  13.010  15.708
  446   1HG   GLU  59          HG2       GLU  59  15.610  14.109  15.484
  447   2HG   GLU  59          HG3       GLU  59  15.918  13.034  14.118
  448    H    ASN  60           H        ASN  60  15.044   9.170  16.958
  449    HA   ASN  60           HA       ASN  60  12.395   8.945  18.305
  450   1HB   ASN  60          HB2       ASN  60  13.239   7.331  15.867
  451   2HB   ASN  60          HB3       ASN  60  11.846   6.988  16.885
  452   1HD2  ASN  60          HD22      ASN  60  13.034   9.023  14.325
  453   2HD2  ASN  60          HD21      ASN  60  11.562   9.951  14.102
  454    H    GLN  61           H        GLN  61  14.902   8.996  19.486
  455    HA   GLN  61           HA       GLN  61  16.123   6.516  19.992
  456   1HB   GLN  61          HB2       GLN  61  15.727   8.969  21.750
  457   2HB   GLN  61          HB3       GLN  61  16.742   7.605  22.214
  458   1HG   GLN  61          HG2       GLN  61  17.173   9.232  19.672
  459   2HG   GLN  61          HG3       GLN  61  17.987   9.545  21.202
  460   1HE2  GLN  61          HE22      GLN  61  17.970   7.586  18.339
  461   2HE2  GLN  61          HE21      GLN  61  19.327   6.551  18.770
  462    H    GLU  62           H        GLU  62  13.085   7.876  21.299
  463    HA   GLU  62           HA       GLU  62  12.812   6.020  23.436
  464   1HB   GLU  62          HB2       GLU  62  10.705   7.559  21.848
  465   2HB   GLU  62          HB3       GLU  62  10.385   6.683  23.345
  466   1HG   GLU  62          HG2       GLU  62  12.262   9.070  23.042
  467   2HG   GLU  62          HG3       GLU  62  10.640   9.108  23.715
  468    H    THR  63           H        THR  63  11.486   5.929  20.036
  469    HA   THR  63           HA       THR  63  10.174   3.446  20.419
  470    HB   THR  63           HB       THR  63  11.218   4.255  17.762
  471    HG1  THR  63           HG1      THR  63   9.226   5.753  19.121
  472   1HG2  THR  63          HG21      THR  63   8.407   3.504  18.637
  473   2HG2  THR  63          HG22      THR  63   8.964   3.755  16.963
  474   3HG2  THR  63          HG23      THR  63   9.600   2.408  17.912
  475    H    ALA  64           H        ALA  64  13.435   4.327  19.174
  476    HA   ALA  64           HA       ALA  64  14.318   1.703  18.539
  477   1HB   ALA  64          HB1       ALA  64  15.866   4.130  19.591
  478   2HB   ALA  64          HB2       ALA  64  16.610   2.706  18.862
  479   3HB   ALA  64          HB3       ALA  64  15.553   3.744  17.885
  480    H    GLY  65           H        GLY  65  14.554   3.532  21.638
  481   1HA   GLY  65          HA2       GLY  65  15.784   1.509  23.178
  482   2HA   GLY  65          HA3       GLY  65  14.773   2.835  23.783
  483    H    LYS  66           H        LYS  66  12.395   1.948  22.213
  484    HA   LYS  66           HA       LYS  66  11.074   0.382  24.092
  485   1HB   LYS  66          HB2       LYS  66  10.187   1.879  22.162
  486   2HB   LYS  66          HB3       LYS  66  10.322   0.440  21.154
  487   1HG   LYS  66          HG2       LYS  66   8.745  -0.781  22.512
  488   2HG   LYS  66          HG3       LYS  66   8.785   0.460  23.784
  489   1HD   LYS  66          HD2       LYS  66   7.748   2.097  22.291
  490   2HD   LYS  66          HD3       LYS  66   7.818   0.960  20.945
  491   1HE   LYS  66          HE2       LYS  66   5.564   0.969  21.756
  492   2HE   LYS  66          HE3       LYS  66   6.287  -0.586  22.171
  493   1HZ   LYS  66          HZ1       LYS  66   5.020   0.353  24.005
  494   2HZ   LYS  66          HZ2       LYS  66   6.584   0.238  24.440
  495   3HZ   LYS  66          HZ3       LYS  66   5.942   1.692  24.042
  496    H    TYR  67           H        TYR  67  13.017  -0.667  21.306
  497    HA   TYR  67           HA       TYR  67  12.553  -3.506  22.138
  498   1HB   TYR  67          HB2       TYR  67  13.471  -2.802  19.386
  499   2HB   TYR  67          HB3       TYR  67  12.545  -4.189  19.932
  500    HD1  TYR  67           HD1      TYR  67  10.055  -3.673  20.723
  501    HD2  TYR  67           HD2      TYR  67  12.464  -0.949  18.399
  502    HE1  TYR  67           HE1      TYR  67   8.018  -2.418  20.083
  503    HE2  TYR  67           HE2      TYR  67  10.477   0.332  17.815
  504    HH   TYR  67           HH       TYR  67   7.159  -0.602  18.899
  505    H    GLY  68           H        GLY  68  14.738  -1.266  22.761
  506   1HA   GLY  68          HA2       GLY  68  16.957  -1.249  23.245
  507   2HA   GLY  68          HA3       GLY  68  16.943  -3.017  23.122
  508    H    VAL  69           H        VAL  69  16.086  -0.858  20.400
  509    HA   VAL  69           HA       VAL  69  18.116  -1.961  18.645
  510    HB   VAL  69           HB       VAL  69  16.408   0.549  18.384
  511   1HG1  VAL  69          HG11      VAL  69  18.010  -0.991  16.310
  512   2HG1  VAL  69          HG12      VAL  69  16.847   0.300  15.941
  513   3HG1  VAL  69          HG13      VAL  69  18.305   0.667  16.863
  514   1HG2  VAL  69          HG21      VAL  69  14.973  -0.831  16.875
  515   2HG2  VAL  69          HG22      VAL  69  15.889  -2.272  17.374
  516   3HG2  VAL  69          HG23      VAL  69  14.932  -1.352  18.553
  517    H    MET  70           H        MET  70  20.207  -1.407  18.648
  518    HA   MET  70           HA       MET  70  21.092   1.198  19.778
  519   1HB   MET  70          HB2       MET  70  21.165  -0.800  21.389
  520   2HB   MET  70          HB3       MET  70  22.386  -1.502  20.328
  521   1HG   MET  70          HG2       MET  70  23.394  -0.413  22.253
  522   2HG   MET  70          HG3       MET  70  23.877   0.418  20.784
  523   1HE   MET  70          HE1       MET  70  24.799   2.439  22.188
  524   2HE   MET  70          HE2       MET  70  23.871   3.285  23.445
  525   3HE   MET  70          HE3       MET  70  24.343   1.587  23.681
  526    H    SER  71           H        SER  71  20.942  -0.576  17.039
  527    HA   SER  71           HA       SER  71  23.316   0.583  15.839
  528   1HB   SER  71          HB2       SER  71  22.644  -2.392  15.609
  529   2HB   SER  71          HB3       SER  71  23.964  -1.549  14.784
  530    HG   SER  71           HG       SER  71  24.672  -2.693  16.640
  531    H    ILE  72           H        ILE  72  23.050   0.411  13.391
  532    HA   ILE  72           HA       ILE  72  20.369  -0.234  12.458
  533    HB   ILE  72           HB       ILE  72  20.191   1.892  11.200
  534   1HG1  ILE  72          HG12      ILE  72  22.318   3.008  13.076
  535   2HG1  ILE  72          HG13      ILE  72  22.609   2.587  11.385
  536   1HG2  ILE  72          HG21      ILE  72  20.185   2.383  14.200
  537   2HG2  ILE  72          HG22      ILE  72  19.148   3.131  12.971
  538   3HG2  ILE  72          HG23      ILE  72  18.961   1.421  13.352
  539   1HD1  ILE  72          HD11      ILE  72  22.217   4.967  11.556
  540   2HD1  ILE  72          HD12      ILE  72  20.881   4.204  10.674
  541   3HD1  ILE  72          HD13      ILE  72  20.661   4.711  12.364
  542    HA   PRO  73           HA       PRO  73  19.440   0.223  10.066
  543   1HB   PRO  73          HB2       PRO  73  18.924  -1.715   8.207
  544   2HB   PRO  73          HB3       PRO  73  19.597  -0.115   7.795
  545   1HG   PRO  73          HG2       PRO  73  21.073  -2.730   8.168
  546   2HG   PRO  73          HG3       PRO  73  21.285  -1.517   6.869
  547   1HD   PRO  73          HD2       PRO  73  22.931  -1.638   9.057
  548   2HD   PRO  73          HD3       PRO  73  22.506  -0.085   8.285
  549    H    THR  74           H        THR  74  17.835  -0.740  11.234
  550    HA   THR  74           HA       THR  74  18.125  -3.613  11.973
  551    HB   THR  74           HB       THR  74  17.537  -1.298  13.855
  552    HG1  THR  74           HG1      THR  74  19.528  -1.627  14.349
  553   1HG2  THR  74          HG21      THR  74  17.185  -4.301  14.261
  554   2HG2  THR  74          HG22      THR  74  17.355  -3.151  15.601
  555   3HG2  THR  74          HG23      THR  74  15.983  -3.019  14.495
  556    H    LEU  75           H        LEU  75  16.166  -4.720  12.051
  557    HA   LEU  75           HA       LEU  75  13.966  -3.316  10.627
  558   1HB   LEU  75          HB2       LEU  75  15.021  -6.130  10.225
  559   2HB   LEU  75          HB3       LEU  75  13.654  -5.414   9.384
  560    HG   LEU  75           HG       LEU  75  16.562  -4.503   9.173
  561   1HD1  LEU  75          HD11      LEU  75  16.096  -6.704   8.136
  562   2HD1  LEU  75          HD12      LEU  75  14.800  -5.966   7.168
  563   3HD1  LEU  75          HD13      LEU  75  16.493  -5.471   6.937
  564   1HD2  LEU  75          HD21      LEU  75  14.109  -3.485   7.683
  565   2HD2  LEU  75          HD22      LEU  75  15.149  -2.578   8.795
  566   3HD2  LEU  75          HD23      LEU  75  15.795  -3.125   7.251
  567    H    LEU  76           H        LEU  76  12.005  -3.563  11.573
  568    HA   LEU  76           HA       LEU  76  11.691  -5.674  13.703
  569   1HB   LEU  76          HB2       LEU  76  10.838  -2.757  13.682
  570   2HB   LEU  76          HB3       LEU  76   9.932  -3.950  14.579
  571    HG   LEU  76           HG       LEU  76  11.499  -2.603  15.964
  572   1HD1  LEU  76          HD11      LEU  76  12.009  -5.614  15.894
  573   2HD1  LEU  76          HD12      LEU  76  12.394  -4.528  17.248
  574   3HD1  LEU  76          HD13      LEU  76  10.715  -4.762  16.752
  575   1HD2  LEU  76          HD21      LEU  76  13.849  -2.914  15.937
  576   2HD2  LEU  76          HD22      LEU  76  13.759  -4.190  14.714
  577   3HD2  LEU  76          HD23      LEU  76  13.374  -2.517  14.274
  578    H    VAL  77           H        VAL  77  10.147  -7.075  13.076
  579    HA   VAL  77           HA       VAL  77   8.318  -6.263  10.859
  580    HB   VAL  77           HB       VAL  77   8.533  -9.039  12.035
  581   1HG1  VAL  77          HG11      VAL  77   7.522  -9.702   9.894
  582   2HG1  VAL  77          HG12      VAL  77   6.527  -8.475  10.691
  583   3HG1  VAL  77          HG13      VAL  77   7.566  -8.016   9.329
  584   1HG2  VAL  77          HG21      VAL  77  10.112  -8.009   9.634
  585   2HG2  VAL  77          HG22      VAL  77  10.798  -8.592  11.169
  586   3HG2  VAL  77          HG23      VAL  77   9.933  -9.708  10.112
  587    H    LEU  78           H        LEU  78   6.356  -5.617  11.562
  588    HA   LEU  78           HA       LEU  78   5.465  -6.425  14.278
  589   1HB   LEU  78          HB2       LEU  78   4.866  -3.821  12.794
  590   2HB   LEU  78          HB3       LEU  78   4.032  -4.388  14.233
  591    HG   LEU  78           HG       LEU  78   6.539  -4.540  15.195
  592   1HD1  LEU  78          HD11      LEU  78   6.724  -2.255  13.203
  593   2HD1  LEU  78          HD12      LEU  78   7.881  -2.602  14.504
  594   3HD1  LEU  78          HD13      LEU  78   7.668  -3.745  13.176
  595   1HD2  LEU  78          HD21      LEU  78   5.034  -1.912  15.116
  596   2HD2  LEU  78          HD22      LEU  78   4.661  -3.268  16.196
  597   3HD2  LEU  78          HD23      LEU  78   6.217  -2.444  16.323
  598    H    LYS  79           H        LYS  79   3.235  -6.927  14.413
  599    HA   LYS  79           HA       LYS  79   1.773  -7.238  11.855
  600   1HB   LYS  79          HB2       LYS  79   2.844  -9.433  12.404
  601   2HB   LYS  79          HB3       LYS  79   1.998  -9.431  13.963
  602   1HG   LYS  79          HG2       LYS  79  -0.185  -9.332  12.680
  603   2HG   LYS  79          HG3       LYS  79   0.750  -9.395  11.181
  604   1HD   LYS  79          HD2       LYS  79  -0.091 -11.584  11.600
  605   2HD   LYS  79          HD3       LYS  79   1.654 -11.634  11.894
  606   1HE   LYS  79          HE2       LYS  79   1.263 -11.493  14.335
  607   2HE   LYS  79          HE3       LYS  79  -0.471 -11.288  14.067
  608   1HZ   LYS  79          HZ1       LYS  79   0.069 -13.563  14.654
  609   2HZ   LYS  79          HZ2       LYS  79  -0.544 -13.524  13.148
  610   3HZ   LYS  79          HZ3       LYS  79   1.062 -13.730  13.373
  611    H    ASP  80           H        ASP  80  -0.070  -6.158  12.137
  612    HA   ASP  80           HA       ASP  80  -1.832  -5.116  13.062
  613   1HB   ASP  80          HB2       ASP  80  -2.542  -7.460  13.223
  614   2HB   ASP  80          HB3       ASP  80  -1.887  -7.563  14.856
  615    H    GLY  81           H        GLY  81   0.699  -4.226  14.039
  616   1HA   GLY  81          HA2       GLY  81   1.033  -2.325  15.285
  617   2HA   GLY  81          HA3       GLY  81  -0.315  -2.733  16.343
  618    H    GLU  82           H        GLU  82   1.640  -5.533  16.288
  619    HA   GLU  82           HA       GLU  82   3.408  -4.514  18.456
  620   1HB   GLU  82          HB2       GLU  82   2.939  -6.408  19.761
  621   2HB   GLU  82          HB3       GLU  82   1.380  -5.762  19.223
  622   1HG   GLU  82          HG2       GLU  82   1.206  -7.540  17.525
  623   2HG   GLU  82          HG3       GLU  82   2.767  -8.199  18.019
  624    H    VAL  83           H        VAL  83   5.474  -5.613  18.636
  625    HA   VAL  83           HA       VAL  83   6.624  -6.391  16.113
  626    HB   VAL  83           HB       VAL  83   7.724  -6.767  18.918
  627   1HG1  VAL  83          HG11      VAL  83   8.913  -8.164  17.258
  628   2HG1  VAL  83          HG12      VAL  83   9.107  -6.765  16.180
  629   3HG1  VAL  83          HG13      VAL  83   9.929  -6.819  17.757
  630   1HG2  VAL  83          HG21      VAL  83   7.270  -4.371  18.458
  631   2HG2  VAL  83          HG22      VAL  83   9.002  -4.706  18.454
  632   3HG2  VAL  83          HG23      VAL  83   8.149  -4.495  16.917
  633    H    VAL  84           H        VAL  84   6.772  -8.220  15.173
  634    HA   VAL  84           HA       VAL  84   5.974 -10.695  16.592
  635    HB   VAL  84           HB       VAL  84   4.447  -9.616  14.787
  636   1HG1  VAL  84          HG11      VAL  84   6.058  -9.216  13.023
  637   2HG1  VAL  84          HG12      VAL  84   6.467 -10.943  12.942
  638   3HG1  VAL  84          HG13      VAL  84   4.855 -10.384  12.476
  639   1HG2  VAL  84          HG21      VAL  84   5.166 -12.546  14.758
  640   2HG2  VAL  84          HG22      VAL  84   3.967 -11.724  15.776
  641   3HG2  VAL  84          HG23      VAL  84   3.701 -11.835  14.029
  642    H    GLU  85           H        GLU  85   8.500  -9.042  14.643
  643    HA   GLU  85           HA       GLU  85  10.304 -11.185  15.416
  644   1HB   GLU  85          HB2       GLU  85   9.234 -12.099  13.349
  645   2HB   GLU  85          HB3       GLU  85   9.795 -10.714  12.442
  646   1HG   GLU  85          HG2       GLU  85  11.112 -12.684  12.005
  647   2HG   GLU  85          HG3       GLU  85  12.111 -11.422  12.710
  648    H    THR  86           H        THR  86  12.621 -10.625  14.723
  649    HA   THR  86           HA       THR  86  13.025  -7.748  14.101
  650    HB   THR  86           HB       THR  86  14.497  -9.228  16.313
  651    HG1  THR  86           HG1      THR  86  12.341  -8.933  16.915
  652   1HG2  THR  86          HG21      THR  86  14.369  -6.279  15.557
  653   2HG2  THR  86          HG22      THR  86  15.110  -6.903  17.047
  654   3HG2  THR  86          HG23      THR  86  15.787  -7.344  15.477
  655    H    SER  87           H        SER  87  15.042  -7.363  13.007
  656    HA   SER  87           HA       SER  87  17.029  -9.482  12.747
  657   1HB   SER  87          HB2       SER  87  15.502  -8.365  10.352
  658   2HB   SER  87          HB3       SER  87  17.053  -9.216  10.221
  659    HG   SER  87           HG       SER  87  15.119 -10.471  11.748
  660    H    VAL  88           H        VAL  88  19.077  -8.533  11.822
  661    HA   VAL  88           HA       VAL  88  19.204  -5.567  12.029
  662    HB   VAL  88           HB       VAL  88  21.081  -7.528  13.393
  663   1HG1  VAL  88          HG11      VAL  88  22.244  -5.462  12.781
  664   2HG1  VAL  88          HG12      VAL  88  20.941  -4.481  13.488
  665   3HG1  VAL  88          HG13      VAL  88  21.979  -5.486  14.521
  666   1HG2  VAL  88          HG21      VAL  88  20.191  -6.646  15.542
  667   2HG2  VAL  88          HG22      VAL  88  18.955  -5.742  14.647
  668   3HG2  VAL  88          HG23      VAL  88  18.961  -7.519  14.636
  669    H    GLY  89           H        GLY  89  20.790  -4.637  10.678
  670   1HA   GLY  89          HA2       GLY  89  22.495  -4.526   9.147
  671   2HA   GLY  89          HA3       GLY  89  22.784  -6.258   9.323
  672    H    PHE  90           H        PHE  90  23.096  -5.675   6.902
  673    HA   PHE  90           HA       PHE  90  20.839  -5.310   5.185
  674   1HB   PHE  90          HB2       PHE  90  23.172  -4.798   4.565
  675   2HB   PHE  90          HB3       PHE  90  23.607  -6.495   4.705
  676    HD1  PHE  90           HD1      PHE  90  22.959  -8.130   2.972
  677    HD2  PHE  90           HD2      PHE  90  21.888  -3.964   2.636
  678    HE1  PHE  90           HE1      PHE  90  22.335  -8.480   0.596
  679    HE2  PHE  90           HE2      PHE  90  21.283  -4.320   0.252
  680    HZ   PHE  90           HZ       PHE  90  21.490  -6.574  -0.765
  681    H    LYS  91           H        LYS  91  19.771  -6.842   3.850
  682    HA   LYS  91           HA       LYS  91  20.421  -9.646   3.944
  683   1HB   LYS  91          HB2       LYS  91  17.773  -8.617   5.056
  684   2HB   LYS  91          HB3       LYS  91  17.830 -10.121   4.156
  685   1HG   LYS  91          HG2       LYS  91  18.231 -11.124   6.099
  686   2HG   LYS  91          HG3       LYS  91  19.886 -10.584   5.880
  687   1HD   LYS  91          HD2       LYS  91  19.082  -8.420   7.203
  688   2HD   LYS  91          HD3       LYS  91  17.679  -9.416   7.610
  689   1HE   LYS  91          HE2       LYS  91  19.121  -9.887   9.403
  690   2HE   LYS  91          HE3       LYS  91  19.432 -11.232   8.299
  691   1HZ   LYS  91          HZ1       LYS  91  21.106  -8.936   8.959
  692   2HZ   LYS  91          HZ2       LYS  91  21.543 -10.500   8.807
  693   3HZ   LYS  91          HZ3       LYS  91  21.291  -9.579   7.456
  694    HA   PRO  92           HA       PRO  92  19.084  -8.741  -0.245
  695   1HB   PRO  92          HB2       PRO  92  18.804 -11.254  -1.298
  696   2HB   PRO  92          HB3       PRO  92  20.398 -10.544  -0.901
  697   1HG   PRO  92          HG2       PRO  92  18.736 -12.441   0.784
  698   2HG   PRO  92          HG3       PRO  92  20.478 -12.558   0.381
  699   1HD   PRO  92          HD2       PRO  92  19.601 -11.489   2.738
  700   2HD   PRO  92          HD3       PRO  92  21.040 -10.843   1.896
  701    H    LYS  93           H        LYS  93  17.162  -8.978  -1.635
  702    HA   LYS  93           HA       LYS  93  14.799  -8.645  -0.171
  703   1HB   LYS  93          HB2       LYS  93  13.620  -8.588  -2.277
  704   2HB   LYS  93          HB3       LYS  93  15.120  -7.688  -2.393
  705   1HG   LYS  93          HG2       LYS  93  16.158  -9.683  -3.578
  706   2HG   LYS  93          HG3       LYS  93  14.549 -10.446  -3.560
  707   1HD   LYS  93          HD2       LYS  93  13.637  -8.421  -4.722
  708   2HD   LYS  93          HD3       LYS  93  15.286  -7.784  -4.835
  709   1HE   LYS  93          HE2       LYS  93  15.972  -9.713  -6.199
  710   2HE   LYS  93          HE3       LYS  93  14.364 -10.443  -6.011
  711   1HZ   LYS  93          HZ1       LYS  93  14.557  -9.262  -8.115
  712   2HZ   LYS  93          HZ2       LYS  93  13.420  -8.550  -7.150
  713   3HZ   LYS  93          HZ3       LYS  93  14.893  -7.847  -7.331
  714    H    GLU  94           H        GLU  94  16.024 -11.629  -1.619
  715    HA   GLU  94           HA       GLU  94  13.596 -13.101  -1.381
  716   1HB   GLU  94          HB2       GLU  94  16.499 -14.031  -1.414
  717   2HB   GLU  94          HB3       GLU  94  15.096 -15.107  -1.513
  718   1HG   GLU  94          HG2       GLU  94  14.342 -13.923  -3.575
  719   2HG   GLU  94          HG3       GLU  94  15.780 -12.902  -3.507
  720    H    ALA  95           H        ALA  95  16.396 -12.706   0.861
  721    HA   ALA  95           HA       ALA  95  15.365 -14.453   2.874
  722   1HB   ALA  95          HB1       ALA  95  17.038 -13.353   4.337
  723   2HB   ALA  95          HB2       ALA  95  17.744 -13.832   2.782
  724   3HB   ALA  95          HB3       ALA  95  17.325 -12.128   3.085
  725    H    LEU  96           H        LEU  96  15.115 -10.934   2.292
  726    HA   LEU  96           HA       LEU  96  13.582 -10.350   4.615
  727   1HB   LEU  96          HB2       LEU  96  13.617  -9.002   1.908
  728   2HB   LEU  96          HB3       LEU  96  12.813  -8.369   3.349
  729    HG   LEU  96           HG       LEU  96  15.813  -8.867   3.181
  730   1HD1  LEU  96          HD11      LEU  96  14.973  -7.064   1.632
  731   2HD1  LEU  96          HD12      LEU  96  14.382  -6.186   3.062
  732   3HD1  LEU  96          HD13      LEU  96  16.116  -6.523   2.858
  733   1HD2  LEU  96          HD21      LEU  96  15.836  -7.374   5.209
  734   2HD2  LEU  96          HD22      LEU  96  14.067  -7.482   5.260
  735   3HD2  LEU  96          HD23      LEU  96  15.065  -8.939   5.486
  736    H    GLN  97           H        GLN  97  12.561 -11.330   1.319
  737    HA   GLN  97           HA       GLN  97   9.779 -11.144   1.824
  738   1HB   GLN  97          HB2       GLN  97  11.514 -12.686  -0.138
  739   2HB   GLN  97          HB3       GLN  97   9.824 -13.171   0.024
  740   1HG   GLN  97          HG2       GLN  97   8.995 -11.119  -0.668
  741   2HG   GLN  97          HG3       GLN  97  10.508 -10.262  -0.358
  742   1HE2  GLN  97          HE22      GLN  97  12.061 -10.192  -1.973
  743   2HE2  GLN  97          HE21      GLN  97  11.547 -10.466  -3.642
  744    H    GLU  98           H        GLU  98  12.100 -13.763   2.543
  745    HA   GLU  98           HA       GLU  98  10.045 -15.556   3.451
  746   1HB   GLU  98          HB2       GLU  98  13.040 -15.475   3.975
  747   2HB   GLU  98          HB3       GLU  98  11.977 -16.705   4.667
  748   1HG   GLU  98          HG2       GLU  98  11.225 -17.351   2.392
  749   2HG   GLU  98          HG3       GLU  98  12.336 -16.183   1.686
  750    H    LEU  99           H        LEU  99  12.058 -13.123   5.118
  751    HA   LEU  99           HA       LEU  99  11.225 -13.582   7.767
  752   1HB   LEU  99          HB2       LEU  99  13.181 -12.303   7.172
  753   2HB   LEU  99          HB3       LEU  99  12.238 -11.194   6.197
  754    HG   LEU  99           HG       LEU  99  11.115 -10.319   8.194
  755   1HD1  LEU  99          HD11      LEU  99  11.353 -12.234   9.715
  756   2HD1  LEU  99          HD12      LEU  99  13.125 -12.106   9.647
  757   3HD1  LEU  99          HD13      LEU  99  12.168 -10.824  10.418
  758   1HD2  LEU  99          HD21      LEU  99  14.156 -10.214   8.200
  759   2HD2  LEU  99          HD22      LEU  99  13.070  -9.226   7.201
  760   3HD2  LEU  99          HD23      LEU  99  13.074  -9.026   8.965
  761    H    VAL 100           H        VAL 100   9.753 -11.541   5.171
  762    HA   VAL 100           HA       VAL 100   7.527 -10.674   6.748
  763    HB   VAL 100           HB       VAL 100   7.910 -11.015   3.745
  764   1HG1  VAL 100          HG11      VAL 100   5.729  -9.515   5.247
  765   2HG1  VAL 100          HG12      VAL 100   6.069  -9.328   3.513
  766   3HG1  VAL 100          HG13      VAL 100   5.532 -10.886   4.135
  767   1HG2  VAL 100          HG21      VAL 100   7.971  -8.369   5.218
  768   2HG2  VAL 100          HG22      VAL 100   9.438  -9.332   5.003
  769   3HG2  VAL 100          HG23      VAL 100   8.567  -8.795   3.586
  770    H    ASN 101           H        ASN 101   8.032 -13.384   4.487
  771    HA   ASN 101           HA       ASN 101   5.411 -14.265   4.246
  772   1HB   ASN 101          HB2       ASN 101   7.359 -14.945   2.814
  773   2HB   ASN 101          HB3       ASN 101   7.901 -16.012   4.115
  774   1HD2  ASN 101          HD22      ASN 101   5.684 -15.553   1.483
  775   2HD2  ASN 101          HD21      ASN 101   4.873 -17.095   1.598
  776    H    LYS 102           H        LYS 102   7.839 -15.216   6.673
  777    HA   LYS 102           HA       LYS 102   6.294 -17.369   7.738
  778   1HB   LYS 102          HB2       LYS 102   7.863 -17.401   9.581
  779   2HB   LYS 102          HB3       LYS 102   8.683 -17.286   8.023
  780   1HG   LYS 102          HG2       LYS 102   9.024 -14.855   8.392
  781   2HG   LYS 102          HG3       LYS 102   8.247 -14.993   9.961
  782   1HD   LYS 102          HD2       LYS 102  10.797 -16.415   9.129
  783   2HD   LYS 102          HD3       LYS 102  10.754 -14.921  10.059
  784   1HE   LYS 102          HE2       LYS 102   9.430 -17.496  11.010
  785   2HE   LYS 102          HE3       LYS 102  11.115 -17.113  11.354
  786   1HZ   LYS 102          HZ1       LYS 102   9.475 -16.481  13.104
  787   2HZ   LYS 102          HZ2       LYS 102  10.493 -15.289  12.685
  788   3HZ   LYS 102          HZ3       LYS 102   8.941 -15.265  12.141
  789    H    HIS 103           H        HIS 103   5.543 -14.098   7.926
  790    HA   HIS 103           HA       HIS 103   3.707 -14.654  10.212
  791   1HB   HIS 103          HB2       HIS 103   5.173 -12.059   9.604
  792   2HB   HIS 103          HB3       HIS 103   3.906 -12.246  10.820
  793    HD1  HIS 103           HD1      HIS 103   4.528 -14.262  12.767
  794    HD2  HIS 103           HD2      HIS 103   7.604 -12.650  10.393
  795    HE1  HIS 103           HE1      HIS 103   6.706 -14.880  13.916
  796    H    LEU 104           H        LEU 104   3.771 -14.104   6.897
  797    HA   LEU 104           HA       LEU 104   1.462 -12.414   6.609
  798   1HB   LEU 104          HB2       LEU 104   2.675 -14.574   4.848
  799   2HB   LEU 104          HB3       LEU 104   1.216 -13.695   4.405
  800    HG   LEU 104           HG       LEU 104   3.965 -12.468   4.816
  801   1HD1  LEU 104          HD11      LEU 104   3.913 -12.093   2.400
  802   2HD1  LEU 104          HD12      LEU 104   3.680 -13.816   2.734
  803   3HD1  LEU 104          HD13      LEU 104   2.291 -12.807   2.291
  804   1HD2  LEU 104          HD21      LEU 104   2.324 -10.787   5.456
  805   2HD2  LEU 104          HD22      LEU 104   2.932 -10.389   3.854
  806   3HD2  LEU 104          HD23      LEU 104   1.334 -11.145   4.022
  Start of MODEL    2
    1   1H    MET   1          H1        MET   1  -0.224  -0.151  -2.044
    2   2H    MET   1          H2        MET   1   0.023  -1.634  -1.396
    3   3H    MET   1          H3        MET   1  -1.315  -0.766  -0.979
    4    HA   MET   1           HA       MET   1   0.017   0.884   0.096
    5   1HB   MET   1          HB2       MET   1  -0.798  -1.094   1.372
    6   2HB   MET   1          HB3       MET   1   0.716  -1.928   1.053
    7   1HG   MET   1          HG2       MET   1   0.555  -0.912   3.301
    8   2HG   MET   1          HG3       MET   1   1.954  -0.381   2.382
    9   1HE   MET   1          HE1       MET   1  -1.415   0.567   4.071
   10   2HE   MET   1          HE2       MET   1  -1.720   2.222   3.501
   11   3HE   MET   1          HE3       MET   1  -1.886   0.856   2.380
   12    H    ALA   2           H        ALA   2   2.300   1.347   1.032
   13    HA   ALA   2           HA       ALA   2   4.442   0.656  -0.878
   14   1HB   ALA   2          HB1       ALA   2   3.168   2.556  -1.877
   15   2HB   ALA   2          HB2       ALA   2   3.440   3.496  -0.390
   16   3HB   ALA   2          HB3       ALA   2   4.809   3.022  -1.418
   17    H    ILE   3           H        ILE   3   6.398   2.313  -0.144
   18    HA   ILE   3           HA       ILE   3   6.980   1.836   2.660
   19    HB   ILE   3           HB       ILE   3   8.293   3.564   0.527
   20   1HG1  ILE   3          HG12      ILE   3   9.693   1.137   1.598
   21   2HG1  ILE   3          HG13      ILE   3   8.273   0.794   0.622
   22   1HG2  ILE   3          HG21      ILE   3  10.326   3.554   2.006
   23   2HG2  ILE   3          HG22      ILE   3   8.984   4.478   2.672
   24   3HG2  ILE   3          HG23      ILE   3   9.337   2.855   3.306
   25   1HD1  ILE   3          HD11      ILE   3  10.576   2.563  -0.277
   26   2HD1  ILE   3          HD12      ILE   3  10.325   0.863  -0.715
   27   3HD1  ILE   3          HD13      ILE   3   9.143   2.091  -1.233
   28    H    VAL   4           H        VAL   4   6.978   3.361   4.300
   29    HA   VAL   4           HA       VAL   4   5.725   6.015   3.905
   30    HB   VAL   4           HB       VAL   4   4.971   3.964   6.038
   31   1HG1  VAL   4          HG11      VAL   4   3.030   5.508   6.467
   32   2HG1  VAL   4          HG12      VAL   4   4.582   6.158   6.934
   33   3HG1  VAL   4          HG13      VAL   4   3.810   6.709   5.420
   34   1HG2  VAL   4          HG21      VAL   4   4.014   3.173   3.945
   35   2HG2  VAL   4          HG22      VAL   4   2.724   3.869   4.912
   36   3HG2  VAL   4          HG23      VAL   4   3.402   4.798   3.560
   37    H    LYS   5           H        LYS   5   6.154   7.307   5.990
   38    HA   LYS   5           HA       LYS   5   8.737   6.549   7.280
   39   1HB   LYS   5          HB2       LYS   5   8.958   8.375   5.613
   40   2HB   LYS   5          HB3       LYS   5   7.868   9.364   6.587
   41   1HG   LYS   5          HG2       LYS   5   9.399   9.684   8.290
   42   2HG   LYS   5          HG3       LYS   5  10.206   8.131   8.041
   43   1HD   LYS   5          HD2       LYS   5  10.424  10.453   6.095
   44   2HD   LYS   5          HD3       LYS   5  11.598  10.136   7.388
   45   1HE   LYS   5          HE2       LYS   5  12.298   8.080   6.465
   46   2HE   LYS   5          HE3       LYS   5  10.838   7.884   5.514
   47   1HZ   LYS   5          HZ1       LYS   5  12.740   8.535   4.118
   48   2HZ   LYS   5          HZ2       LYS   5  11.606   9.699   4.067
   49   3HZ   LYS   5          HZ3       LYS   5  12.953   9.915   4.961
   50    H    ALA   6           H        ALA   6   8.693   7.024   9.571
   51    HA   ALA   6           HA       ALA   6   6.208   8.170  10.722
   52   1HB   ALA   6          HB1       ALA   6   5.915   6.257  12.232
   53   2HB   ALA   6          HB2       ALA   6   5.780   5.733  10.551
   54   3HB   ALA   6          HB3       ALA   6   7.278   5.414  11.468
   55    H    THR   7           H        THR   7   6.381   8.311  13.081
   56    HA   THR   7           HA       THR   7   9.083   8.719  14.204
   57    HB   THR   7           HB       THR   7   8.010  10.722  15.368
   58    HG1  THR   7           HG1      THR   7   6.228  11.655  14.290
   59   1HG2  THR   7          HG21      THR   7   9.648  11.000  13.528
   60   2HG2  THR   7          HG22      THR   7   8.326  10.975  12.338
   61   3HG2  THR   7          HG23      THR   7   8.438  12.292  13.529
   62    H    ASP   8           H        ASP   8   8.780   8.926  16.685
   63    HA   ASP   8           HA       ASP   8   7.522   6.717  17.741
   64   1HB   ASP   8          HB2       ASP   8   9.236   8.220  18.861
   65   2HB   ASP   8          HB3       ASP   8   7.928   9.337  19.235
   66    H    GLN   9           H        GLN   9   6.100   9.866  17.117
   67    HA   GLN   9           HA       GLN   9   3.720   9.594  18.668
   68   1HB   GLN   9          HB2       GLN   9   4.380  11.311  16.239
   69   2HB   GLN   9          HB3       GLN   9   2.962  11.525  17.271
   70   1HG   GLN   9          HG2       GLN   9   4.449  11.959  19.227
   71   2HG   GLN   9          HG3       GLN   9   5.862  11.833  18.177
   72   1HE2  GLN   9          HE22      GLN   9   3.170  13.892  19.153
   73   2HE2  GLN   9          HE21      GLN   9   3.632  15.282  18.205
   74    H    SER  10           H        SER  10   4.599   8.517  15.417
   75    HA   SER  10           HA       SER  10   1.754   7.933  14.761
   76   1HB   SER  10          HB2       SER  10   2.607   8.193  12.412
   77   2HB   SER  10          HB3       SER  10   2.683   9.655  13.416
   78    HG   SER  10           HG       SER  10   4.798   9.624  13.397
   79    H    PHE  11           H        PHE  11   4.860   6.433  15.207
   80    HA   PHE  11           HA       PHE  11   4.912   4.379  13.438
   81   1HB   PHE  11          HB2       PHE  11   6.654   5.012  15.107
   82   2HB   PHE  11          HB3       PHE  11   5.712   4.251  16.379
   83    HD1  PHE  11           HD1      PHE  11   7.746   3.734  13.333
   84    HD2  PHE  11           HD2      PHE  11   5.697   1.793  16.599
   85    HE1  PHE  11           HE1      PHE  11   8.946   1.641  12.839
   86    HE2  PHE  11           HE2      PHE  11   6.881  -0.321  16.073
   87    HZ   PHE  11           HZ       PHE  11   8.513  -0.408  14.204
   88    H    SER  12           H        SER  12   3.217   4.222  16.637
   89    HA   SER  12           HA       SER  12   2.450   1.545  16.401
   90   1HB   SER  12          HB2       SER  12   0.909   3.720  17.863
   91   2HB   SER  12          HB3       SER  12   1.007   1.997  18.273
   92    HG   SER  12           HG       SER  12   2.390   3.295  19.572
   93    H    ALA  13           H        ALA  13   0.815   4.469  15.197
   94    HA   ALA  13           HA       ALA  13  -1.606   3.092  14.464
   95   1HB   ALA  13          HB1       ALA  13  -1.567   5.541  14.843
   96   2HB   ALA  13          HB2       ALA  13  -0.463   5.742  13.461
   97   3HB   ALA  13          HB3       ALA  13  -2.116   5.153  13.201
   98    H    GLU  14           H        GLU  14   1.387   4.053  12.773
   99    HA   GLU  14           HA       GLU  14   0.533   3.150  10.219
  100   1HB   GLU  14          HB2       GLU  14   3.318   3.589  11.380
  101   2HB   GLU  14          HB3       GLU  14   3.056   3.092   9.712
  102   1HG   GLU  14          HG2       GLU  14   2.082   5.672  10.989
  103   2HG   GLU  14          HG3       GLU  14   3.395   5.494   9.826
  104    H    THR  15           H        THR  15   2.107   1.415  12.902
  105    HA   THR  15           HA       THR  15   2.516  -0.935  11.291
  106    HB   THR  15           HB       THR  15   3.409  -1.835  13.457
  107    HG1  THR  15           HG1      THR  15   3.241   0.847  14.318
  108   1HG2  THR  15          HG21      THR  15   4.544   0.769  12.321
  109   2HG2  THR  15          HG22      THR  15   5.408  -0.299  13.434
  110   3HG2  THR  15          HG23      THR  15   4.937  -0.890  11.837
  111    H    SER  16           H        SER  16  -0.318   0.189  12.464
  112    HA   SER  16           HA       SER  16  -1.272  -2.448  13.383
  113   1HB   SER  16          HB2       SER  16  -2.469   0.334  13.681
  114   2HB   SER  16          HB3       SER  16  -3.210  -1.166  14.269
  115    HG   SER  16           HG       SER  16  -0.834   0.100  15.133
  116    H    GLU  17           H        GLU  17  -0.711  -1.953  10.591
  117    HA   GLU  17           HA       GLU  17  -3.416  -2.476   9.457
  118   1HB   GLU  17          HB2       GLU  17  -1.345  -0.582   8.287
  119   2HB   GLU  17          HB3       GLU  17  -2.792  -1.170   7.448
  120   1HG   GLU  17          HG2       GLU  17  -4.177  -0.211   9.352
  121   2HG   GLU  17          HG3       GLU  17  -2.706   0.590   9.924
  122    H    GLY  18           H        GLY  18  -2.325  -4.657  10.080
  123   1HA   GLY  18          HA2       GLY  18  -2.076  -6.680   8.933
  124   2HA   GLY  18          HA3       GLY  18  -1.479  -5.819   7.510
  125    H    VAL  19           H        VAL  19   0.317  -7.233   7.358
  126    HA   VAL  19           HA       VAL  19   2.373  -7.252   9.457
  127    HB   VAL  19           HB       VAL  19   2.578  -8.086   6.525
  128   1HG1  VAL  19          HG11      VAL  19   4.813  -7.577   7.503
  129   2HG1  VAL  19          HG12      VAL  19   4.439  -8.603   8.900
  130   3HG1  VAL  19          HG13      VAL  19   4.616  -9.317   7.284
  131   1HG2  VAL  19          HG21      VAL  19   0.967  -9.532   7.715
  132   2HG2  VAL  19          HG22      VAL  19   2.461 -10.407   7.386
  133   3HG2  VAL  19          HG23      VAL  19   2.141  -9.788   9.022
  134    H    VAL  20           H        VAL  20   3.996  -5.774   9.594
  135    HA   VAL  20           HA       VAL  20   4.382  -3.790   7.436
  136    HB   VAL  20           HB       VAL  20   4.003  -3.139  10.397
  137   1HG1  VAL  20          HG11      VAL  20   4.575  -1.372   7.980
  138   2HG1  VAL  20          HG12      VAL  20   4.068  -0.754   9.561
  139   3HG1  VAL  20          HG13      VAL  20   5.608  -1.601   9.402
  140   1HG2  VAL  20          HG21      VAL  20   1.808  -3.553   9.538
  141   2HG2  VAL  20          HG22      VAL  20   1.978  -1.801   9.457
  142   3HG2  VAL  20          HG23      VAL  20   2.161  -2.761   7.994
  143    H    LEU  21           H        LEU  21   6.558  -3.215   7.257
  144    HA   LEU  21           HA       LEU  21   8.474  -4.627   9.074
  145   1HB   LEU  21          HB2       LEU  21   8.274  -5.799   6.954
  146   2HB   LEU  21          HB3       LEU  21   8.511  -4.291   6.060
  147    HG   LEU  21           HG       LEU  21  10.817  -4.110   7.065
  148   1HD1  LEU  21          HD11      LEU  21  11.858  -6.135   7.999
  149   2HD1  LEU  21          HD12      LEU  21  10.649  -5.417   9.068
  150   3HD1  LEU  21          HD13      LEU  21  10.259  -6.882   8.097
  151   1HD2  LEU  21          HD21      LEU  21  11.817  -5.813   5.598
  152   2HD2  LEU  21          HD22      LEU  21  10.265  -6.679   5.513
  153   3HD2  LEU  21          HD23      LEU  21  10.432  -5.060   4.799
  154    H    ALA  22           H        ALA  22   9.150  -3.008  10.347
  155    HA   ALA  22           HA       ALA  22   9.405  -0.284   9.319
  156   1HB   ALA  22          HB1       ALA  22   8.491  -0.571  11.565
  157   2HB   ALA  22          HB2       ALA  22   9.914  -1.534  12.037
  158   3HB   ALA  22          HB3       ALA  22  10.099   0.193  11.662
  159    H    ASP  23           H        ASP  23  11.378   0.786   9.260
  160    HA   ASP  23           HA       ASP  23  13.895  -0.815   9.274
  161   1HB   ASP  23          HB2       ASP  23  13.269  -0.584   6.966
  162   2HB   ASP  23          HB3       ASP  23  12.871   1.122   7.180
  163    H    PHE  24           H        PHE  24  14.627  -0.115  11.134
  164    HA   PHE  24           HA       PHE  24  14.559   2.677  12.039
  165   1HB   PHE  24          HB2       PHE  24  15.687   0.072  13.153
  166   2HB   PHE  24          HB3       PHE  24  16.035   1.641  13.857
  167    HD1  PHE  24           HD1      PHE  24  13.051  -0.437  12.773
  168    HD2  PHE  24           HD2      PHE  24  14.635   2.429  15.583
  169    HE1  PHE  24           HE1      PHE  24  10.864  -0.329  13.919
  170    HE2  PHE  24           HE2      PHE  24  12.434   2.543  16.699
  171    HZ   PHE  24           HZ       PHE  24  10.520   1.211  15.817
  172    H    TRP  25           H        TRP  25  15.898   4.054  11.117
  173    HA   TRP  25           HA       TRP  25  18.599   3.307  10.351
  174   1HB   TRP  25          HB2       TRP  25  18.237   3.076   8.174
  175   2HB   TRP  25          HB3       TRP  25  16.519   3.103   8.454
  176    HD1  TRP  25           HD1      TRP  25  19.217   4.904   6.682
  177    HE1  TRP  25           HE1      TRP  25  18.328   7.023   5.556
  178    HE3  TRP  25           HE3      TRP  25  14.746   5.325   9.108
  179    HZ2  TRP  25           HZ2      TRP  25  16.235   8.940   6.027
  180    HZ3  TRP  25           HZ3      TRP  25  13.384   7.401   8.860
  181    HH2  TRP  25           HH2      TRP  25  14.167   9.239   7.378
  182    H    ALA  26           H        ALA  26  19.416   5.570   9.103
  183    HA   ALA  26           HA       ALA  26  18.121   7.947  10.006
  184   1HB   ALA  26          HB1       ALA  26  20.895   7.296  11.111
  185   2HB   ALA  26          HB2       ALA  26  20.084   8.882  11.216
  186   3HB   ALA  26          HB3       ALA  26  19.415   7.495  12.081
  187    HA   PRO  27           HA       PRO  27  20.110   8.669   6.149
  188   1HB   PRO  27          HB2       PRO  27  20.230  11.411   5.895
  189   2HB   PRO  27          HB3       PRO  27  18.765  10.407   5.703
  190   1HG   PRO  27          HG2       PRO  27  19.666  11.967   8.143
  191   2HG   PRO  27          HG3       PRO  27  18.016  11.846   7.449
  192   1HD   PRO  27          HD2       PRO  27  18.837  10.361   9.606
  193   2HD   PRO  27          HD3       PRO  27  17.667   9.734   8.406
  194    H    TRP  28           H        TRP  28  21.810   9.708   9.034
  195    HA   TRP  28           HA       TRP  28  24.265  10.350   7.646
  196   1HB   TRP  28          HB2       TRP  28  25.350  10.194   9.759
  197   2HB   TRP  28          HB3       TRP  28  23.846  11.064   9.966
  198    HD1  TRP  28           HD1      TRP  28  22.121  10.092  11.646
  199    HE1  TRP  28           HE1      TRP  28  22.140   8.236  13.392
  200    HE3  TRP  28           HE3      TRP  28  26.388   7.659  10.183
  201    HZ2  TRP  28           HZ2      TRP  28  23.717   5.878  13.989
  202    HZ3  TRP  28           HZ3      TRP  28  27.098   5.588  11.336
  203    HH2  TRP  28           HH2      TRP  28  25.769   4.681  13.232
  204    H    CYS  29           H        CYS  29  22.558   7.395   8.233
  205    HA   CYS  29           HA       CYS  29  24.583   5.571   8.798
  206   1HB   CYS  29          HB2       CYS  29  22.059   5.291   8.935
  207   2HB   CYS  29          HB3       CYS  29  22.044   5.145   7.207
  208    H    GLY  30           H        GLY  30  25.822   4.168   7.534
  209   1HA   GLY  30          HA2       GLY  30  26.155   4.756   4.637
  210   2HA   GLY  30          HA3       GLY  30  27.250   3.833   5.670
  211    HA   PRO  31           HA       PRO  31  25.527   0.068   4.494
  212   1HB   PRO  31          HB2       PRO  31  24.620  -1.381   6.690
  213   2HB   PRO  31          HB3       PRO  31  26.331  -1.123   6.245
  214   1HG   PRO  31          HG2       PRO  31  24.689   0.379   8.286
  215   2HG   PRO  31          HG3       PRO  31  26.378  -0.193   8.412
  216   1HD   PRO  31          HD2       PRO  31  25.722   2.381   7.815
  217   2HD   PRO  31          HD3       PRO  31  27.170   1.604   7.104
  218    H    CYS  32           H        CYS  32  23.142   1.855   6.430
  219    HA   CYS  32           HA       CYS  32  20.805   0.490   5.642
  220   1HB   CYS  32          HB2       CYS  32  21.022   3.496   5.913
  221   2HB   CYS  32          HB3       CYS  32  19.610   2.481   6.142
  222    H    LYS  33           H        LYS  33  22.858   2.790   3.823
  223    HA   LYS  33           HA       LYS  33  20.924   3.309   1.770
  224   1HB   LYS  33          HB2       LYS  33  23.944   3.518   1.522
  225   2HB   LYS  33          HB3       LYS  33  22.730   4.391   0.596
  226   1HG   LYS  33          HG2       LYS  33  23.343   4.759   3.560
  227   2HG   LYS  33          HG3       LYS  33  23.854   5.813   2.252
  228   1HD   LYS  33          HD2       LYS  33  21.563   6.521   1.827
  229   2HD   LYS  33          HD3       LYS  33  20.924   5.309   2.941
  230   1HE   LYS  33          HE2       LYS  33  20.919   7.548   3.985
  231   2HE   LYS  33          HE3       LYS  33  21.948   6.395   4.860
  232   1HZ   LYS  33          HZ1       LYS  33  23.070   8.320   2.917
  233   2HZ   LYS  33          HZ2       LYS  33  22.899   8.644   4.518
  234   3HZ   LYS  33          HZ3       LYS  33  23.851   7.407   4.066
  235    H    MET  34           H        MET  34  23.090   0.601   2.396
  236    HA   MET  34           HA       MET  34  23.147  -0.371  -0.310
  237   1HB   MET  34          HB2       MET  34  23.507  -1.941   2.268
  238   2HB   MET  34          HB3       MET  34  23.977  -2.447   0.645
  239   1HG   MET  34          HG2       MET  34  25.559  -0.484   0.567
  240   2HG   MET  34          HG3       MET  34  25.175  -0.167   2.257
  241   1HE   MET  34          HE1       MET  34  24.992  -3.607   3.059
  242   2HE   MET  34          HE2       MET  34  26.535  -3.561   3.934
  243   3HE   MET  34          HE3       MET  34  25.372  -2.228   4.112
  244    H    ILE  35           H        ILE  35  21.120  -1.022   2.587
  245    HA   ILE  35           HA       ILE  35  19.574  -2.977   1.117
  246    HB   ILE  35           HB       ILE  35  20.172  -3.333   3.452
  247   1HG1  ILE  35          HG12      ILE  35  17.168  -3.267   3.010
  248   2HG1  ILE  35          HG13      ILE  35  18.269  -4.502   2.394
  249   1HG2  ILE  35          HG21      ILE  35  18.213  -1.105   4.121
  250   2HG2  ILE  35          HG22      ILE  35  19.029  -2.170   5.285
  251   3HG2  ILE  35          HG23      ILE  35  19.983  -1.061   4.317
  252   1HD1  ILE  35          HD11      ILE  35  17.200  -5.365   4.347
  253   2HD1  ILE  35          HD12      ILE  35  18.869  -5.005   4.816
  254   3HD1  ILE  35          HD13      ILE  35  17.552  -3.912   5.292
  255    H    ALA  36           H        ALA  36  19.219   0.484   1.765
  256    HA   ALA  36           HA       ALA  36  16.530   0.859   1.530
  257   1HB   ALA  36          HB1       ALA  36  17.040   3.064   0.537
  258   2HB   ALA  36          HB2       ALA  36  18.077   2.672   1.922
  259   3HB   ALA  36          HB3       ALA  36  18.719   2.553   0.272
  260    HA   PRO  37           HA       PRO  37  16.287   0.646  -3.218
  261   1HB   PRO  37          HB2       PRO  37  18.205  -0.703  -4.678
  262   2HB   PRO  37          HB3       PRO  37  18.220   1.062  -4.378
  263   1HG   PRO  37          HG2       PRO  37  19.699  -1.101  -2.853
  264   2HG   PRO  37          HG3       PRO  37  20.343   0.453  -3.476
  265   1HD   PRO  37          HD2       PRO  37  19.596   0.196  -0.901
  266   2HD   PRO  37          HD3       PRO  37  19.225   1.693  -1.799
  267    H    VAL  38           H        VAL  38  17.759  -2.026  -1.393
  268    HA   VAL  38           HA       VAL  38  16.360  -4.102  -2.788
  269    HB   VAL  38           HB       VAL  38  17.390  -4.231   0.072
  270   1HG1  VAL  38          HG11      VAL  38  17.660  -6.609  -0.435
  271   2HG1  VAL  38          HG12      VAL  38  15.980  -6.115  -0.644
  272   3HG1  VAL  38          HG13      VAL  38  17.001  -6.355  -2.082
  273   1HG2  VAL  38          HG21      VAL  38  19.271  -3.458  -1.323
  274   2HG2  VAL  38          HG22      VAL  38  19.488  -5.144  -0.865
  275   3HG2  VAL  38          HG23      VAL  38  18.939  -4.740  -2.508
  276    H    LEU  39           H        LEU  39  15.643  -2.089   0.145
  277    HA   LEU  39           HA       LEU  39  13.143  -3.321   0.707
  278   1HB   LEU  39          HB2       LEU  39  14.201  -0.528   1.272
  279   2HB   LEU  39          HB3       LEU  39  12.623  -1.069   1.825
  280    HG   LEU  39           HG       LEU  39  15.139  -2.614   2.475
  281   1HD1  LEU  39          HD11      LEU  39  15.471  -0.341   3.312
  282   2HD1  LEU  39          HD12      LEU  39  13.887  -0.374   4.117
  283   3HD1  LEU  39          HD13      LEU  39  15.195  -1.452   4.659
  284   1HD2  LEU  39          HD21      LEU  39  12.954  -3.784   2.831
  285   2HD2  LEU  39          HD22      LEU  39  13.828  -3.510   4.341
  286   3HD2  LEU  39          HD23      LEU  39  12.451  -2.473   3.913
  287    H    GLU  40           H        GLU  40  14.009  -0.605  -1.501
  288    HA   GLU  40           HA       GLU  40  11.320  -0.114  -2.311
  289   1HB   GLU  40          HB2       GLU  40  13.935   0.285  -3.803
  290   2HB   GLU  40          HB3       GLU  40  12.360   0.767  -4.437
  291   1HG   GLU  40          HG2       GLU  40  11.984   2.214  -2.470
  292   2HG   GLU  40          HG3       GLU  40  13.559   1.767  -1.820
  293    H    GLU  41           H        GLU  41  13.724  -2.433  -3.630
  294    HA   GLU  41           HA       GLU  41  11.988  -3.438  -5.661
  295   1HB   GLU  41          HB2       GLU  41  14.421  -4.598  -4.262
  296   2HB   GLU  41          HB3       GLU  41  13.535  -5.479  -5.512
  297   1HG   GLU  41          HG2       GLU  41  13.903  -3.684  -7.130
  298   2HG   GLU  41          HG3       GLU  41  14.713  -2.696  -5.921
  299    H    LEU  42           H        LEU  42  12.477  -4.373  -2.279
  300    HA   LEU  42           HA       LEU  42  10.772  -6.640  -2.236
  301   1HB   LEU  42          HB2       LEU  42  12.541  -5.927  -0.576
  302   2HB   LEU  42          HB3       LEU  42  11.448  -4.690   0.018
  303    HG   LEU  42           HG       LEU  42  11.692  -6.695   1.412
  304   1HD1  LEU  42          HD11      LEU  42   8.823  -6.396   0.500
  305   2HD1  LEU  42          HD12      LEU  42   9.415  -7.024   2.042
  306   3HD1  LEU  42          HD13      LEU  42   9.674  -5.325   1.640
  307   1HD2  LEU  42          HD21      LEU  42  10.138  -8.182  -0.731
  308   2HD2  LEU  42          HD22      LEU  42  11.869  -8.393  -0.382
  309   3HD2  LEU  42          HD23      LEU  42  10.655  -8.807   0.844
  310    H    ASP  43           H        ASP  43  10.152  -3.153  -1.574
  311    HA   ASP  43           HA       ASP  43   7.429  -3.327  -0.905
  312   1HB   ASP  43          HB2       ASP  43   8.871  -1.254  -0.769
  313   2HB   ASP  43          HB3       ASP  43   8.752  -1.115  -2.533
  314    H    GLN  44           H        GLN  44   9.011  -3.027  -4.079
  315    HA   GLN  44           HA       GLN  44   6.563  -2.904  -5.555
  316   1HB   GLN  44          HB2       GLN  44   9.437  -3.456  -6.352
  317   2HB   GLN  44          HB3       GLN  44   8.120  -3.318  -7.526
  318   1HG   GLN  44          HG2       GLN  44   7.635  -1.048  -6.891
  319   2HG   GLN  44          HG3       GLN  44   8.683  -1.122  -5.476
  320   1HE2  GLN  44          HE22      GLN  44  10.975  -1.193  -5.770
  321   2HE2  GLN  44          HE21      GLN  44  11.735  -0.606  -7.250
  322    H    GLU  45           H        GLU  45   7.981  -5.576  -3.986
  323    HA   GLU  45           HA       GLU  45   6.726  -7.579  -5.781
  324   1HB   GLU  45          HB2       GLU  45   8.877  -7.671  -3.645
  325   2HB   GLU  45          HB3       GLU  45   8.135  -9.136  -4.287
  326   1HG   GLU  45          HG2       GLU  45   9.494  -7.051  -6.036
  327   2HG   GLU  45          HG3       GLU  45  10.333  -8.443  -5.356
  328    H    MET  46           H        MET  46   6.600  -6.201  -2.529
  329    HA   MET  46           HA       MET  46   4.473  -8.177  -1.811
  330   1HB   MET  46          HB2       MET  46   6.427  -6.797   0.055
  331   2HB   MET  46          HB3       MET  46   5.268  -8.069   0.440
  332   1HG   MET  46          HG2       MET  46   6.599  -9.409  -1.453
  333   2HG   MET  46          HG3       MET  46   7.866  -8.246  -1.081
  334   1HE   MET  46          HE1       MET  46   6.108 -11.425  -0.326
  335   2HE   MET  46          HE2       MET  46   6.331 -11.765   1.408
  336   3HE   MET  46          HE3       MET  46   5.187 -10.496   0.878
  337    H    GLY  47           H        GLY  47   4.789  -4.877  -2.486
  338   1HA   GLY  47          HA2       GLY  47   3.464  -3.586  -0.436
  339   2HA   GLY  47          HA3       GLY  47   3.441  -3.097  -2.134
  340    H    ASP  48           H        ASP  48   1.967  -5.997  -2.283
  341    HA   ASP  48           HA       ASP  48  -0.743  -4.933  -2.231
  342   1HB   ASP  48          HB2       ASP  48  -0.059  -6.543  -3.962
  343   2HB   ASP  48          HB3       ASP  48   0.303  -7.744  -2.717
  344    H    LYS  49           H        LYS  49   1.405  -6.778  -0.146
  345    HA   LYS  49           HA       LYS  49  -0.779  -7.286   1.838
  346   1HB   LYS  49          HB2       LYS  49   1.812  -8.835   1.328
  347   2HB   LYS  49          HB3       LYS  49   0.611  -9.207   2.558
  348   1HG   LYS  49          HG2       LYS  49   0.210  -9.382  -0.450
  349   2HG   LYS  49          HG3       LYS  49   0.434 -10.728   0.679
  350   1HD   LYS  49          HD2       LYS  49  -1.683  -9.898   1.886
  351   2HD   LYS  49          HD3       LYS  49  -1.962  -8.856   0.488
  352   1HE   LYS  49          HE2       LYS  49  -1.819 -11.901   0.527
  353   2HE   LYS  49          HE3       LYS  49  -3.258 -10.903   0.308
  354   1HZ   LYS  49          HZ1       LYS  49  -2.165 -10.044  -1.763
  355   2HZ   LYS  49          HZ2       LYS  49  -1.021 -11.205  -1.596
  356   3HZ   LYS  49          HZ3       LYS  49  -2.578 -11.635  -1.815
  357    H    LEU  50           H        LEU  50   2.352  -5.804   1.284
  358    HA   LEU  50           HA       LEU  50   2.841  -5.599   4.198
  359   1HB   LEU  50          HB2       LEU  50   4.385  -6.944   2.751
  360   2HB   LEU  50          HB3       LEU  50   4.684  -5.502   1.779
  361    HG   LEU  50           HG       LEU  50   5.724  -4.389   3.754
  362   1HD1  LEU  50          HD11      LEU  50   5.338  -7.119   5.062
  363   2HD1  LEU  50          HD12      LEU  50   6.341  -5.802   5.707
  364   3HD1  LEU  50          HD13      LEU  50   4.600  -5.594   5.588
  365   1HD2  LEU  50          HD21      LEU  50   7.087  -5.484   2.120
  366   2HD2  LEU  50          HD22      LEU  50   7.774  -5.765   3.727
  367   3HD2  LEU  50          HD23      LEU  50   6.866  -7.060   2.903
  368    H    LYS  51           H        LYS  51   3.697  -3.703   5.051
  369    HA   LYS  51           HA       LYS  51   3.803  -1.247   3.365
  370   1HB   LYS  51          HB2       LYS  51   1.874  -1.172   5.026
  371   2HB   LYS  51          HB3       LYS  51   3.028  -1.468   6.315
  372   1HG   LYS  51          HG2       LYS  51   4.246   0.663   5.602
  373   2HG   LYS  51          HG3       LYS  51   2.908   0.983   4.503
  374   1HD   LYS  51          HD2       LYS  51   2.683   0.629   7.528
  375   2HD   LYS  51          HD3       LYS  51   2.809   2.184   6.702
  376   1HE   LYS  51          HE2       LYS  51   0.699   1.737   5.484
  377   2HE   LYS  51          HE3       LYS  51   0.549   0.171   6.307
  378   1HZ   LYS  51          HZ1       LYS  51  -0.749   1.897   7.417
  379   2HZ   LYS  51          HZ2       LYS  51   0.458   1.361   8.405
  380   3HZ   LYS  51          HZ3       LYS  51   0.598   2.816   7.647
  381    H    ILE  52           H        ILE  52   5.765  -0.072   3.786
  382    HA   ILE  52           HA       ILE  52   7.665  -1.387   5.666
  383    HB   ILE  52           HB       ILE  52   8.287   0.043   3.072
  384   1HG1  ILE  52          HG12      ILE  52   8.563  -2.892   3.863
  385   2HG1  ILE  52          HG13      ILE  52   7.446  -2.215   2.676
  386   1HG2  ILE  52          HG21      ILE  52   9.995   0.539   4.807
  387   2HG2  ILE  52          HG22      ILE  52  10.222  -1.205   5.074
  388   3HG2  ILE  52          HG23      ILE  52  10.660  -0.452   3.526
  389   1HD1  ILE  52          HD11      ILE  52   9.145  -3.129   1.367
  390   2HD1  ILE  52          HD12      ILE  52   9.528  -1.401   1.396
  391   3HD1  ILE  52          HD13      ILE  52  10.438  -2.531   2.422
  392    H    VAL  53           H        VAL  53   8.591   0.072   7.180
  393    HA   VAL  53           HA       VAL  53   7.579   2.894   7.027
  394    HB   VAL  53           HB       VAL  53   7.333   0.981   9.382
  395   1HG1  VAL  53          HG11      VAL  53   6.235   2.896  10.548
  396   2HG1  VAL  53          HG12      VAL  53   7.938   3.223  10.231
  397   3HG1  VAL  53          HG13      VAL  53   6.694   3.964   9.200
  398   1HG2  VAL  53          HG21      VAL  53   5.235   2.472   7.746
  399   2HG2  VAL  53          HG22      VAL  53   5.552   0.730   7.688
  400   3HG2  VAL  53          HG23      VAL  53   4.922   1.459   9.168
  401    H    LYS  54           H        LYS  54   9.484   3.963   6.637
  402    HA   LYS  54           HA       LYS  54  11.946   3.157   8.038
  403   1HB   LYS  54          HB2       LYS  54  11.375   5.647   6.368
  404   2HB   LYS  54          HB3       LYS  54  12.953   5.127   6.981
  405   1HG   LYS  54          HG2       LYS  54  12.678   2.973   5.675
  406   2HG   LYS  54          HG3       LYS  54  11.207   3.639   4.965
  407   1HD   LYS  54          HD2       LYS  54  13.066   3.878   3.436
  408   2HD   LYS  54          HD3       LYS  54  12.508   5.479   3.948
  409   1HE   LYS  54          HE2       LYS  54  14.369   5.699   5.507
  410   2HE   LYS  54          HE3       LYS  54  14.842   4.012   5.255
  411   1HZ   LYS  54          HZ1       LYS  54  16.259   5.503   4.008
  412   2HZ   LYS  54          HZ2       LYS  54  15.416   4.575   2.967
  413   3HZ   LYS  54          HZ3       LYS  54  14.996   6.139   3.191
  414    H    ILE  55           H        ILE  55  12.767   4.134   9.914
  415    HA   ILE  55           HA       ILE  55  11.424   6.561  10.908
  416    HB   ILE  55           HB       ILE  55  10.130   4.900  11.961
  417   1HG1  ILE  55          HG12      ILE  55  12.114   5.821  14.074
  418   2HG1  ILE  55          HG13      ILE  55  10.998   6.919  13.262
  419   1HG2  ILE  55          HG21      ILE  55  12.641   3.578  13.060
  420   2HG2  ILE  55          HG22      ILE  55  10.970   3.116  13.411
  421   3HG2  ILE  55          HG23      ILE  55  11.602   2.913  11.780
  422   1HD1  ILE  55          HD11      ILE  55  10.180   4.523  14.951
  423   2HD1  ILE  55          HD12      ILE  55  10.061   6.232  15.399
  424   3HD1  ILE  55          HD13      ILE  55   9.068   5.602  14.075
  425    H    ASP  56           H        ASP  56  12.803   7.990  11.578
  426    HA   ASP  56           HA       ASP  56  15.646   7.464  11.239
  427   1HB   ASP  56          HB2       ASP  56  14.654   9.433  10.235
  428   2HB   ASP  56          HB3       ASP  56  14.104  10.007  11.810
  429    H    VAL  57           H        VAL  57  16.574   6.459  13.005
  430    HA   VAL  57           HA       VAL  57  15.528   6.638  15.628
  431    HB   VAL  57           HB       VAL  57  17.499   5.449  16.361
  432   1HG1  VAL  57          HG11      VAL  57  17.226   3.457  15.044
  433   2HG1  VAL  57          HG12      VAL  57  15.662   4.298  15.113
  434   3HG1  VAL  57          HG13      VAL  57  16.643   4.378  13.640
  435   1HG2  VAL  57          HG21      VAL  57  19.292   6.581  15.085
  436   2HG2  VAL  57          HG22      VAL  57  19.343   4.829  14.870
  437   3HG2  VAL  57          HG23      VAL  57  18.686   5.855  13.583
  438    H    ASP  58           H        ASP  58  17.664   8.884  13.959
  439    HA   ASP  58           HA       ASP  58  19.035   9.870  16.286
  440   1HB   ASP  58          HB2       ASP  58  19.817  10.201  13.952
  441   2HB   ASP  58          HB3       ASP  58  18.442  11.274  13.659
  442    H    GLU  59           H        GLU  59  15.796  10.310  15.137
  443    HA   GLU  59           HA       GLU  59  15.334  12.505  17.123
  444   1HB   GLU  59          HB2       GLU  59  13.921  11.927  14.490
  445   2HB   GLU  59          HB3       GLU  59  13.421  13.148  15.670
  446   1HG   GLU  59          HG2       GLU  59  15.725  14.202  15.422
  447   2HG   GLU  59          HG3       GLU  59  15.986  13.138  14.038
  448    H    ASN  60           H        ASN  60  15.087   9.272  16.874
  449    HA   ASN  60           HA       ASN  60  12.467   9.083  18.279
  450   1HB   ASN  60          HB2       ASN  60  13.220   7.466  15.812
  451   2HB   ASN  60          HB3       ASN  60  11.852   7.137  16.867
  452   1HD2  ASN  60          HD22      ASN  60  12.985   9.149  14.265
  453   2HD2  ASN  60          HD21      ASN  60  11.513  10.087  14.080
  454    H    GLN  61           H        GLN  61  14.991   9.101  19.406
  455    HA   GLN  61           HA       GLN  61  16.222   6.610  19.839
  456   1HB   GLN  61          HB2       GLN  61  15.893   9.047  21.637
  457   2HB   GLN  61          HB3       GLN  61  16.908   7.670  22.061
  458   1HG   GLN  61          HG2       GLN  61  17.289   9.314  19.522
  459   2HG   GLN  61          HG3       GLN  61  18.136   9.616  21.035
  460   1HE2  GLN  61          HE22      GLN  61  18.029   7.643  18.179
  461   2HE2  GLN  61          HE21      GLN  61  19.399   6.608  18.573
  462    H    GLU  62           H        GLU  62  13.238   7.967  21.275
  463    HA   GLU  62           HA       GLU  62  13.024   6.084  23.391
  464   1HB   GLU  62          HB2       GLU  62  10.898   7.690  21.904
  465   2HB   GLU  62          HB3       GLU  62  10.595   6.739  23.367
  466   1HG   GLU  62          HG2       GLU  62  12.294   8.091  24.592
  467   2HG   GLU  62          HG3       GLU  62  12.541   9.079  23.151
  468    H    THR  63           H        THR  63  11.659   6.016  20.009
  469    HA   THR  63           HA       THR  63  10.334   3.535  20.389
  470    HB   THR  63           HB       THR  63  11.345   4.370  17.724
  471    HG1  THR  63           HG1      THR  63   9.428   5.860  19.191
  472   1HG2  THR  63          HG21      THR  63   8.554   3.595  18.647
  473   2HG2  THR  63          HG22      THR  63   9.063   3.893  16.965
  474   3HG2  THR  63          HG23      THR  63   9.736   2.528  17.859
  475    H    ALA  64           H        ALA  64  13.586   4.421  19.117
  476    HA   ALA  64           HA       ALA  64  14.445   1.791  18.456
  477   1HB   ALA  64          HB1       ALA  64  16.746   2.768  18.749
  478   2HB   ALA  64          HB2       ALA  64  15.688   3.831  17.803
  479   3HB   ALA  64          HB3       ALA  64  16.034   4.193  19.508
  480    H    GLY  65           H        GLY  65  14.722   3.599  21.561
  481   1HA   GLY  65          HA2       GLY  65  15.936   1.564  23.091
  482   2HA   GLY  65          HA3       GLY  65  14.926   2.888  23.704
  483    H    LYS  66           H        LYS  66  12.543   2.008  22.128
  484    HA   LYS  66           HA       LYS  66  11.225   0.434  24.005
  485   1HB   LYS  66          HB2       LYS  66  10.314   1.937  22.111
  486   2HB   LYS  66          HB3       LYS  66  10.484   0.529  21.065
  487   1HG   LYS  66          HG2       LYS  66   8.920  -0.759  22.361
  488   2HG   LYS  66          HG3       LYS  66   8.920   0.440  23.674
  489   1HD   LYS  66          HD2       LYS  66   7.850   2.098  22.246
  490   2HD   LYS  66          HD3       LYS  66   7.999   1.043  20.841
  491   1HE   LYS  66          HE2       LYS  66   5.723   0.934  21.580
  492   2HE   LYS  66          HE3       LYS  66   6.487  -0.620  21.913
  493   1HZ   LYS  66          HZ1       LYS  66   5.136   0.153  23.766
  494   2HZ   LYS  66          HZ2       LYS  66   6.689   0.057  24.241
  495   3HZ   LYS  66          HZ3       LYS  66   6.012   1.514  23.921
  496    H    TYR  67           H        TYR  67  13.162  -0.605  21.209
  497    HA   TYR  67           HA       TYR  67  12.700  -3.446  22.036
  498   1HB   TYR  67          HB2       TYR  67  13.594  -2.733  19.277
  499   2HB   TYR  67          HB3       TYR  67  12.683  -4.127  19.828
  500    HD1  TYR  67           HD1      TYR  67  10.188  -3.698  20.553
  501    HD2  TYR  67           HD2      TYR  67  12.572  -0.821  18.395
  502    HE1  TYR  67           HE1      TYR  67   8.133  -2.450  19.934
  503    HE2  TYR  67           HE2      TYR  67  10.577   0.444  17.833
  504    HH   TYR  67           HH       TYR  67   8.214   0.544  17.960
  505    H    GLY  68           H        GLY  68  14.893  -1.213  22.653
  506   1HA   GLY  68          HA2       GLY  68  17.123  -1.187  23.091
  507   2HA   GLY  68          HA3       GLY  68  17.105  -2.955  22.988
  508    H    VAL  69           H        VAL  69  16.241  -0.744  20.296
  509    HA   VAL  69           HA       VAL  69  18.222  -1.904  18.511
  510    HB   VAL  69           HB       VAL  69  16.524   0.614  18.231
  511   1HG1  VAL  69          HG11      VAL  69  18.401   0.678  16.679
  512   2HG1  VAL  69          HG12      VAL  69  18.075  -0.986  16.162
  513   3HG1  VAL  69          HG13      VAL  69  16.922   0.313  15.789
  514   1HG2  VAL  69          HG21      VAL  69  15.965  -2.223  17.291
  515   2HG2  VAL  69          HG22      VAL  69  15.035  -1.265  18.464
  516   3HG2  VAL  69          HG23      VAL  69  15.056  -0.783  16.774
  517    H    MET  70           H        MET  70  20.335  -1.395  18.604
  518    HA   MET  70           HA       MET  70  21.222   1.284  19.584
  519   1HB   MET  70          HB2       MET  70  22.309  -1.479  20.257
  520   2HB   MET  70          HB3       MET  70  23.172   0.012  20.611
  521   1HG   MET  70          HG2       MET  70  20.445  -0.738  21.713
  522   2HG   MET  70          HG3       MET  70  21.969  -0.870  22.573
  523   1HE   MET  70          HE1       MET  70  23.517   1.884  21.933
  524   2HE   MET  70          HE2       MET  70  22.949   2.831  23.321
  525   3HE   MET  70          HE3       MET  70  23.359   1.116  23.531
  526    H    SER  71           H        SER  71  21.010  -0.537  16.886
  527    HA   SER  71           HA       SER  71  23.362   0.601  15.624
  528   1HB   SER  71          HB2       SER  71  22.678  -2.375  15.449
  529   2HB   SER  71          HB3       SER  71  23.984  -1.548  14.587
  530    HG   SER  71           HG       SER  71  24.723  -2.667  16.447
  531    H    ILE  72           H        ILE  72  23.051   0.452  13.202
  532    HA   ILE  72           HA       ILE  72  20.369  -0.220  12.292
  533    HB   ILE  72           HB       ILE  72  20.157   1.921  11.059
  534   1HG1  ILE  72          HG12      ILE  72  22.299   3.015  12.941
  535   2HG1  ILE  72          HG13      ILE  72  22.556   2.664  11.232
  536   1HG2  ILE  72          HG21      ILE  72  18.947   1.401  13.212
  537   2HG2  ILE  72          HG22      ILE  72  20.160   2.371  14.066
  538   3HG2  ILE  72          HG23      ILE  72  19.103   3.119  12.853
  539   1HD1  ILE  72          HD11      ILE  72  20.627   4.743  12.348
  540   2HD1  ILE  72          HD12      ILE  72  22.148   5.038  11.495
  541   3HD1  ILE  72          HD13      ILE  72  20.786   4.298  10.635
  542    HA   PRO  73           HA       PRO  73  19.433   0.221   9.892
  543   1HB   PRO  73          HB2       PRO  73  18.924  -1.726   8.047
  544   2HB   PRO  73          HB3       PRO  73  19.625  -0.141   7.621
  545   1HG   PRO  73          HG2       PRO  73  21.071  -2.767   8.075
  546   2HG   PRO  73          HG3       PRO  73  21.298  -1.603   6.734
  547   1HD   PRO  73          HD2       PRO  73  22.937  -1.643   8.922
  548   2HD   PRO  73          HD3       PRO  73  22.496  -0.114   8.110
  549    H    THR  74           H        THR  74  17.814  -0.741  11.033
  550    HA   THR  74           HA       THR  74  18.089  -3.610  11.787
  551    HB   THR  74           HB       THR  74  17.529  -1.274  13.654
  552    HG1  THR  74           HG1      THR  74  19.513  -1.623  14.173
  553   1HG2  THR  74          HG21      THR  74  17.167  -4.269  14.109
  554   2HG2  THR  74          HG22      THR  74  17.328  -3.089  15.423
  555   3HG2  THR  74          HG23      THR  74  15.962  -2.984  14.307
  556    H    LEU  75           H        LEU  75  16.121  -4.702  11.893
  557    HA   LEU  75           HA       LEU  75  13.895  -3.314  10.489
  558   1HB   LEU  75          HB2       LEU  75  15.096  -6.074  10.125
  559   2HB   LEU  75          HB3       LEU  75  13.539  -5.615   9.457
  560    HG   LEU  75           HG       LEU  75  16.160  -4.211   8.766
  561   1HD1  LEU  75          HD11      LEU  75  14.649  -6.377   7.243
  562   2HD1  LEU  75          HD12      LEU  75  16.055  -5.468   6.640
  563   3HD1  LEU  75          HD13      LEU  75  16.235  -6.549   8.029
  564   1HD2  LEU  75          HD21      LEU  75  13.417  -4.120   7.421
  565   2HD2  LEU  75          HD22      LEU  75  14.167  -2.812   8.352
  566   3HD2  LEU  75          HD23      LEU  75  14.897  -3.328   6.829
  567    H    LEU  76           H        LEU  76  11.935  -3.557  11.473
  568    HA   LEU  76           HA       LEU  76  11.658  -5.579  13.693
  569   1HB   LEU  76          HB2       LEU  76  10.902  -2.629  13.635
  570   2HB   LEU  76          HB3       LEU  76   9.949  -3.773  14.546
  571    HG   LEU  76           HG       LEU  76  11.546  -2.471  15.923
  572   1HD1  LEU  76          HD11      LEU  76  12.006  -5.489  15.901
  573   2HD1  LEU  76          HD12      LEU  76  12.372  -4.387  17.242
  574   3HD1  LEU  76          HD13      LEU  76  10.698  -4.617  16.724
  575   1HD2  LEU  76          HD21      LEU  76  13.891  -2.843  15.888
  576   2HD2  LEU  76          HD22      LEU  76  13.758  -4.126  14.676
  577   3HD2  LEU  76          HD23      LEU  76  13.412  -2.449  14.223
  578    H    VAL  77           H        VAL  77   9.999  -6.914  13.168
  579    HA   VAL  77           HA       VAL  77   8.268  -6.049  10.910
  580    HB   VAL  77           HB       VAL  77   8.476  -8.903  11.762
  581   1HG1  VAL  77          HG11      VAL  77   8.189  -9.208   9.280
  582   2HG1  VAL  77          HG12      VAL  77   6.917  -8.192   9.985
  583   3HG1  VAL  77          HG13      VAL  77   8.249  -7.445   9.074
  584   1HG2  VAL  77          HG21      VAL  77  10.853  -8.491  11.658
  585   2HG2  VAL  77          HG22      VAL  77  10.378  -9.290  10.164
  586   3HG2  VAL  77          HG23      VAL  77  10.691  -7.540  10.175
  587    H    LEU  78           H        LEU  78   6.185  -5.736  11.445
  588    HA   LEU  78           HA       LEU  78   5.288  -6.541  14.156
  589   1HB   LEU  78          HB2       LEU  78   4.715  -3.904  12.722
  590   2HB   LEU  78          HB3       LEU  78   3.984  -4.450  14.222
  591    HG   LEU  78           HG       LEU  78   6.611  -4.674  14.919
  592   1HD1  LEU  78          HD11      LEU  78   6.546  -2.278  13.054
  593   2HD1  LEU  78          HD12      LEU  78   7.864  -2.729  14.150
  594   3HD1  LEU  78          HD13      LEU  78   7.446  -3.769  12.784
  595   1HD2  LEU  78          HD21      LEU  78   5.037  -2.084  15.122
  596   2HD2  LEU  78          HD22      LEU  78   4.849  -3.486  16.190
  597   3HD2  LEU  78          HD23      LEU  78   6.380  -2.610  16.156
  598    H    LYS  79           H        LYS  79   3.055  -6.964  14.306
  599    HA   LYS  79           HA       LYS  79   1.586  -7.246  11.729
  600   1HB   LYS  79          HB2       LYS  79   2.663  -9.425  12.349
  601   2HB   LYS  79          HB3       LYS  79   1.753  -9.413  13.869
  602   1HG   LYS  79          HG2       LYS  79  -0.368  -9.326  12.459
  603   2HG   LYS  79          HG3       LYS  79   0.664  -9.434  11.023
  604   1HD   LYS  79          HD2       LYS  79  -0.232 -11.610  11.470
  605   2HD   LYS  79          HD3       LYS  79   1.502 -11.651  11.819
  606   1HE   LYS  79          HE2       LYS  79   1.041 -11.435  14.239
  607   2HE   LYS  79          HE3       LYS  79  -0.688 -11.265  13.913
  608   1HZ   LYS  79          HZ1       LYS  79  -0.135 -13.514  14.581
  609   2HZ   LYS  79          HZ2       LYS  79  -0.690 -13.530  13.053
  610   3HZ   LYS  79          HZ3       LYS  79   0.910 -13.699  13.346
  611    H    ASP  80           H        ASP  80  -0.097  -5.959  11.986
  612    HA   ASP  80           HA       ASP  80  -1.821  -4.819  12.854
  613   1HB   ASP  80          HB2       ASP  80  -2.738  -7.096  12.696
  614   2HB   ASP  80          HB3       ASP  80  -2.297  -7.399  14.378
  615    H    GLY  81           H        GLY  81   0.558  -4.140  14.080
  616   1HA   GLY  81          HA2       GLY  81   0.767  -2.346  15.516
  617   2HA   GLY  81          HA3       GLY  81  -0.554  -2.931  16.518
  618    H    GLU  82           H        GLU  82   1.445  -5.648  16.225
  619    HA   GLU  82           HA       GLU  82   3.168  -4.781  18.499
  620   1HB   GLU  82          HB2       GLU  82   2.734  -6.777  19.632
  621   2HB   GLU  82          HB3       GLU  82   1.162  -6.161  19.105
  622   1HG   GLU  82          HG2       GLU  82   1.151  -7.808  17.243
  623   2HG   GLU  82          HG3       GLU  82   2.701  -8.448  17.786
  624    H    VAL  83           H        VAL  83   5.268  -5.712  18.591
  625    HA   VAL  83           HA       VAL  83   6.483  -6.403  16.062
  626    HB   VAL  83           HB       VAL  83   7.542  -6.722  18.897
  627   1HG1  VAL  83          HG11      VAL  83   8.818  -8.103  17.289
  628   2HG1  VAL  83          HG12      VAL  83   8.992  -6.709  16.201
  629   3HG1  VAL  83          HG13      VAL  83   9.777  -6.715  17.796
  630   1HG2  VAL  83          HG21      VAL  83   7.964  -4.470  16.876
  631   2HG2  VAL  83          HG22      VAL  83   7.031  -4.346  18.386
  632   3HG2  VAL  83          HG23      VAL  83   8.771  -4.634  18.442
  633    H    VAL  84           H        VAL  84   6.629  -8.228  15.101
  634    HA   VAL  84           HA       VAL  84   5.967 -10.731  16.542
  635    HB   VAL  84           HB       VAL  84   4.256  -9.819  14.960
  636   1HG1  VAL  84          HG11      VAL  84   5.466  -8.866  13.175
  637   2HG1  VAL  84          HG12      VAL  84   6.381 -10.347  12.862
  638   3HG1  VAL  84          HG13      VAL  84   4.654 -10.271  12.495
  639   1HG2  VAL  84          HG21      VAL  84   4.209 -12.120  15.614
  640   2HG2  VAL  84          HG22      VAL  84   3.732 -11.955  13.918
  641   3HG2  VAL  84          HG23      VAL  84   5.357 -12.563  14.334
  642    H    GLU  85           H        GLU  85   8.438  -9.011  14.589
  643    HA   GLU  85           HA       GLU  85  10.260 -11.143  15.331
  644   1HB   GLU  85          HB2       GLU  85   9.287 -12.128  13.296
  645   2HB   GLU  85          HB3       GLU  85   9.643 -10.670  12.386
  646   1HG   GLU  85          HG2       GLU  85  11.116 -12.470  11.814
  647   2HG   GLU  85          HG3       GLU  85  12.036 -11.150  12.507
  648    H    THR  86           H        THR  86  12.555 -10.548  14.600
  649    HA   THR  86           HA       THR  86  12.958  -7.670  14.011
  650    HB   THR  86           HB       THR  86  14.415  -9.185  16.216
  651    HG1  THR  86           HG1      THR  86  12.257  -8.799  16.791
  652   1HG2  THR  86          HG21      THR  86  15.115  -6.884  16.940
  653   2HG2  THR  86          HG22      THR  86  15.768  -7.345  15.366
  654   3HG2  THR  86          HG23      THR  86  14.387  -6.233  15.455
  655    H    SER  87           H        SER  87  14.983  -7.293  12.913
  656    HA   SER  87           HA       SER  87  16.920  -9.453  12.570
  657   1HB   SER  87          HB2       SER  87  15.392  -8.223  10.233
  658   2HB   SER  87          HB3       SER  87  16.960  -9.028  10.052
  659    HG   SER  87           HG       SER  87  14.955 -10.359  11.472
  660    H    VAL  88           H        VAL  88  19.002  -8.524  11.750
  661    HA   VAL  88           HA       VAL  88  19.191  -5.563  11.962
  662    HB   VAL  88           HB       VAL  88  21.015  -7.548  13.363
  663   1HG1  VAL  88          HG11      VAL  88  20.916  -4.500  13.450
  664   2HG1  VAL  88          HG12      VAL  88  21.931  -5.517  14.493
  665   3HG1  VAL  88          HG13      VAL  88  22.211  -5.498  12.754
  666   1HG2  VAL  88          HG21      VAL  88  18.883  -7.509  14.573
  667   2HG2  VAL  88          HG22      VAL  88  20.111  -6.649  15.496
  668   3HG2  VAL  88          HG23      VAL  88  18.898  -5.731  14.582
  669    H    GLY  89           H        GLY  89  20.777  -4.675  10.599
  670   1HA   GLY  89          HA2       GLY  89  22.550  -4.611   9.135
  671   2HA   GLY  89          HA3       GLY  89  22.784  -6.352   9.309
  672    H    PHE  90           H        PHE  90  23.170  -5.852   6.903
  673    HA   PHE  90           HA       PHE  90  21.010  -5.328   5.124
  674   1HB   PHE  90          HB2       PHE  90  23.398  -5.081   4.549
  675   2HB   PHE  90          HB3       PHE  90  23.631  -6.819   4.698
  676    HD1  PHE  90           HD1      PHE  90  22.244  -4.107   2.610
  677    HD2  PHE  90           HD2      PHE  90  22.776  -8.374   2.970
  678    HE1  PHE  90           HE1      PHE  90  21.610  -4.394   0.225
  679    HE2  PHE  90           HE2      PHE  90  22.128  -8.653   0.592
  680    HZ   PHE  90           HZ       PHE  90  21.542  -6.666  -0.783
  681    H    LYS  91           H        LYS  91  19.693  -6.736   3.926
  682    HA   LYS  91           HA       LYS  91  20.007  -9.630   4.120
  683   1HB   LYS  91          HB2       LYS  91  17.599  -8.166   5.195
  684   2HB   LYS  91          HB3       LYS  91  17.351  -9.648   4.261
  685   1HG   LYS  91          HG2       LYS  91  19.003 -10.820   5.743
  686   2HG   LYS  91          HG3       LYS  91  19.039  -9.371   6.776
  687   1HD   LYS  91          HD2       LYS  91  16.644  -9.623   7.240
  688   2HD   LYS  91          HD3       LYS  91  16.561 -11.001   6.110
  689   1HE   LYS  91          HE2       LYS  91  18.230 -12.229   7.494
  690   2HE   LYS  91          HE3       LYS  91  18.282 -10.885   8.637
  691   1HZ   LYS  91          HZ1       LYS  91  15.861 -12.505   8.068
  692   2HZ   LYS  91          HZ2       LYS  91  16.839 -12.702   9.356
  693   3HZ   LYS  91          HZ3       LYS  91  15.991 -11.324   9.220
  694    HA   PRO  92           HA       PRO  92  19.023  -8.578  -0.168
  695   1HB   PRO  92          HB2       PRO  92  18.846 -11.089  -1.257
  696   2HB   PRO  92          HB3       PRO  92  20.402 -10.334  -0.799
  697   1HG   PRO  92          HG2       PRO  92  18.744 -12.300   0.807
  698   2HG   PRO  92          HG3       PRO  92  20.504 -12.353   0.470
  699   1HD   PRO  92          HD2       PRO  92  19.504 -11.346   2.800
  700   2HD   PRO  92          HD3       PRO  92  20.946 -10.633   2.022
  701    H    LYS  93           H        LYS  93  17.149  -8.833  -1.625
  702    HA   LYS  93           HA       LYS  93  14.713  -8.632  -0.251
  703   1HB   LYS  93          HB2       LYS  93  13.643  -8.653  -2.486
  704   2HB   LYS  93          HB3       LYS  93  14.978  -7.521  -2.328
  705   1HG   LYS  93          HG2       LYS  93  16.456  -9.275  -3.493
  706   2HG   LYS  93          HG3       LYS  93  14.963 -10.181  -3.811
  707   1HD   LYS  93          HD2       LYS  93  14.045  -8.163  -4.979
  708   2HD   LYS  93          HD3       LYS  93  15.588  -7.318  -4.667
  709   1HE   LYS  93          HE2       LYS  93  16.813  -8.960  -5.998
  710   2HE   LYS  93          HE3       LYS  93  15.374  -9.973  -6.175
  711   1HZ   LYS  93          HZ1       LYS  93  15.835  -8.611  -8.142
  712   2HZ   LYS  93          HZ2       LYS  93  14.371  -8.258  -7.518
  713   3HZ   LYS  93          HZ3       LYS  93  15.628  -7.230  -7.281
  714    H    GLU  94           H        GLU  94  16.140 -11.527  -1.662
  715    HA   GLU  94           HA       GLU  94  13.804 -13.164  -1.496
  716   1HB   GLU  94          HB2       GLU  94  16.761 -13.881  -1.307
  717   2HB   GLU  94          HB3       GLU  94  15.444 -15.059  -1.425
  718   1HG   GLU  94          HG2       GLU  94  14.740 -14.041  -3.591
  719   2HG   GLU  94          HG3       GLU  94  16.103 -12.924  -3.502
  720    H    ALA  95           H        ALA  95  16.454 -12.512   0.880
  721    HA   ALA  95           HA       ALA  95  15.366 -14.186   2.925
  722   1HB   ALA  95          HB1       ALA  95  17.231 -11.785   3.161
  723   2HB   ALA  95          HB2       ALA  95  16.932 -13.001   4.414
  724   3HB   ALA  95          HB3       ALA  95  17.737 -13.474   2.907
  725    H    LEU  96           H        LEU  96  14.975 -10.737   2.085
  726    HA   LEU  96           HA       LEU  96  13.353 -10.067   4.327
  727   1HB   LEU  96          HB2       LEU  96  13.389  -8.896   1.539
  728   2HB   LEU  96          HB3       LEU  96  12.518  -8.205   2.905
  729    HG   LEU  96           HG       LEU  96  15.547  -8.491   2.733
  730   1HD1  LEU  96          HD11      LEU  96  14.579  -6.753   1.238
  731   2HD1  LEU  96          HD12      LEU  96  13.788  -6.010   2.643
  732   3HD1  LEU  96          HD13      LEU  96  15.562  -6.063   2.535
  733   1HD2  LEU  96          HD21      LEU  96  15.537  -7.056   4.782
  734   2HD2  LEU  96          HD22      LEU  96  13.782  -7.290   4.906
  735   3HD2  LEU  96          HD23      LEU  96  14.896  -8.671   5.066
  736    H    GLN  97           H        GLN  97  12.430 -11.296   1.073
  737    HA   GLN  97           HA       GLN  97   9.634 -11.226   1.569
  738   1HB   GLN  97          HB2       GLN  97  11.445 -12.884  -0.231
  739   2HB   GLN  97          HB3       GLN  97   9.770 -13.393  -0.043
  740   1HG   GLN  97          HG2       GLN  97   8.893 -11.466  -1.020
  741   2HG   GLN  97          HG3       GLN  97  10.387 -10.548  -0.786
  742   1HE2  GLN  97          HE22      GLN  97  12.222 -11.001  -2.105
  743   2HE2  GLN  97          HE21      GLN  97  12.014 -11.691  -3.714
  744    H    GLU  98           H        GLU  98  12.095 -13.690   2.347
  745    HA   GLU  98           HA       GLU  98  10.191 -15.570   3.363
  746   1HB   GLU  98          HB2       GLU  98  13.179 -15.228   3.818
  747   2HB   GLU  98          HB3       GLU  98  12.262 -16.524   4.581
  748   1HG   GLU  98          HG2       GLU  98  12.375 -16.092   1.564
  749   2HG   GLU  98          HG3       GLU  98  13.448 -17.163   2.455
  750    H    LEU  99           H        LEU  99  12.005 -12.924   4.920
  751    HA   LEU  99           HA       LEU  99  11.255 -13.396   7.588
  752   1HB   LEU  99          HB2       LEU  99  13.085 -11.935   6.842
  753   2HB   LEU  99          HB3       LEU  99  11.949 -10.885   6.007
  754    HG   LEU  99           HG       LEU  99  10.903 -10.269   8.128
  755   1HD1  LEU  99          HD11      LEU  99  12.219 -10.791  10.237
  756   2HD1  LEU  99          HD12      LEU  99  11.406 -12.196   9.522
  757   3HD1  LEU  99          HD13      LEU  99  13.156 -11.968   9.302
  758   1HD2  LEU  99          HD21      LEU  99  13.914  -9.819   7.962
  759   2HD2  LEU  99          HD22      LEU  99  12.662  -8.883   7.119
  760   3HD2  LEU  99          HD23      LEU  99  12.772  -8.820   8.887
  761    H    VAL 100           H        VAL 100   9.699 -11.336   5.034
  762    HA   VAL 100           HA       VAL 100   7.429 -10.578   6.551
  763    HB   VAL 100           HB       VAL 100   7.818 -11.008   3.563
  764   1HG1  VAL 100          HG11      VAL 100   5.617  -9.495   5.019
  765   2HG1  VAL 100          HG12      VAL 100   5.950  -9.357   3.278
  766   3HG1  VAL 100          HG13      VAL 100   5.438 -10.903   3.955
  767   1HG2  VAL 100          HG21      VAL 100   7.816  -8.285   4.870
  768   2HG2  VAL 100          HG22      VAL 100   9.299  -9.232   4.843
  769   3HG2  VAL 100          HG23      VAL 100   8.524  -8.847   3.319
  770    H    ASN 101           H        ASN 101   8.065 -13.402   4.488
  771    HA   ASN 101           HA       ASN 101   5.465 -14.408   4.307
  772   1HB   ASN 101          HB2       ASN 101   7.428 -15.038   2.893
  773   2HB   ASN 101          HB3       ASN 101   8.041 -16.021   4.231
  774   1HD2  ASN 101          HD22      ASN 101   5.753 -15.780   1.615
  775   2HD2  ASN 101          HD21      ASN 101   5.049 -17.367   1.792
  776    H    LYS 102           H        LYS 102   7.763 -14.741   6.964
  777    HA   LYS 102           HA       LYS 102   6.614 -16.907   8.382
  778   1HB   LYS 102          HB2       LYS 102   7.727 -14.299   9.495
  779   2HB   LYS 102          HB3       LYS 102   7.399 -15.752  10.430
  780   1HG   LYS 102          HG2       LYS 102   9.129 -16.938   8.944
  781   2HG   LYS 102          HG3       LYS 102   9.579 -15.312   8.372
  782   1HD   LYS 102          HD2       LYS 102   9.925 -14.615  10.768
  783   2HD   LYS 102          HD3       LYS 102   9.565 -16.281  11.264
  784   1HE   LYS 102          HE2       LYS 102  11.497 -17.006   9.732
  785   2HE   LYS 102          HE3       LYS 102  11.915 -15.292   9.603
  786   1HZ   LYS 102          HZ1       LYS 102  11.869 -16.918  12.078
  787   2HZ   LYS 102          HZ2       LYS 102  13.182 -16.281  11.360
  788   3HZ   LYS 102          HZ3       LYS 102  12.093 -15.300  12.100
  789    H    HIS 103           H        HIS 103   5.295 -13.680   7.819
  790    HA   HIS 103           HA       HIS 103   3.279 -14.089   9.979
  791   1HB   HIS 103          HB2       HIS 103   4.325 -11.487   8.832
  792   2HB   HIS 103          HB3       HIS 103   3.366 -11.706  10.295
  793    HD1  HIS 103           HD1      HIS 103   4.926 -13.656  12.041
  794    HD2  HIS 103           HD2      HIS 103   6.807 -11.054   9.322
  795    HE1  HIS 103           HE1      HIS 103   7.354 -13.470  12.783
  796    H    LEU 104           H        LEU 104   3.539 -13.891   6.568
  797    HA   LEU 104           HA       LEU 104   1.087 -12.572   5.930
  798   1HB   LEU 104          HB2       LEU 104   2.564 -14.811   4.485
  799   2HB   LEU 104          HB3       LEU 104   1.171 -13.957   3.839
  800    HG   LEU 104           HG       LEU 104   3.874 -12.708   4.470
  801   1HD1  LEU 104          HD11      LEU 104   3.831 -14.183   2.475
  802   2HD1  LEU 104          HD12      LEU 104   2.480 -13.242   1.813
  803   3HD1  LEU 104          HD13      LEU 104   4.069 -12.485   2.039
  804   1HD2  LEU 104          HD21      LEU 104   2.954 -10.693   3.281
  805   2HD2  LEU 104          HD22      LEU 104   1.345 -11.448   3.328
  806   3HD2  LEU 104          HD23      LEU 104   2.181 -11.001   4.834
  Start of MODEL    3
    1   1H    MET   1          H1        MET   1  -0.590  -0.192  -1.120
    2   2H    MET   1          H2        MET   1  -0.088  -1.696  -0.713
    3   3H    MET   1          H3        MET   1  -1.360  -1.008   0.080
    4    HA   MET   1           HA       MET   1   0.057   0.665   1.027
    5   1HB   MET   1          HB2       MET   1   0.969  -2.208   1.436
    6   2HB   MET   1          HB3       MET   1   1.615  -0.864   2.378
    7   1HG   MET   1          HG2       MET   1  -1.300  -1.704   2.259
    8   2HG   MET   1          HG3       MET   1  -0.165  -2.017   3.567
    9   1HE   MET   1          HE1       MET   1  -3.062  -0.689   3.936
   10   2HE   MET   1          HE2       MET   1  -1.929  -1.114   5.238
   11   3HE   MET   1          HE3       MET   1  -2.651   0.513   5.179
   12    H    ALA   2           H        ALA   2   2.481   1.127   1.573
   13    HA   ALA   2           HA       ALA   2   4.298   0.804  -0.697
   14   1HB   ALA   2          HB1       ALA   2   2.831   2.703  -1.373
   15   2HB   ALA   2          HB2       ALA   2   3.221   3.531   0.154
   16   3HB   ALA   2          HB3       ALA   2   4.486   3.233  -1.055
   17    H    ILE   3           H        ILE   3   6.314   2.421  -0.053
   18    HA   ILE   3           HA       ILE   3   7.065   1.891   2.722
   19    HB   ILE   3           HB       ILE   3   8.322   3.575   0.525
   20   1HG1  ILE   3          HG12      ILE   3   9.716   1.124   1.548
   21   2HG1  ILE   3          HG13      ILE   3   8.235   0.797   0.663
   22   1HG2  ILE   3          HG21      ILE   3   9.107   4.479   2.646
   23   2HG2  ILE   3          HG22      ILE   3   9.450   2.851   3.268
   24   3HG2  ILE   3          HG23      ILE   3  10.406   3.527   1.931
   25   1HD1  ILE   3          HD11      ILE   3   9.009   2.053  -1.256
   26   2HD1  ILE   3          HD12      ILE   3  10.508   2.516  -0.398
   27   3HD1  ILE   3          HD13      ILE   3  10.207   0.814  -0.795
   28    H    VAL   4           H        VAL   4   7.086   3.414   4.356
   29    HA   VAL   4           HA       VAL   4   5.862   6.084   3.954
   30    HB   VAL   4           HB       VAL   4   5.142   4.084   6.143
   31   1HG1  VAL   4          HG11      VAL   4   3.953   6.806   5.470
   32   2HG1  VAL   4          HG12      VAL   4   3.226   5.639   6.591
   33   3HG1  VAL   4          HG13      VAL   4   4.787   6.326   6.975
   34   1HG2  VAL   4          HG21      VAL   4   2.872   3.976   5.059
   35   2HG2  VAL   4          HG22      VAL   4   3.537   4.854   3.667
   36   3HG2  VAL   4          HG23      VAL   4   4.144   3.237   4.097
   37    H    LYS   5           H        LYS   5   6.343   7.415   5.966
   38    HA   LYS   5           HA       LYS   5   8.871   6.665   7.331
   39   1HB   LYS   5          HB2       LYS   5   8.836   8.469   5.278
   40   2HB   LYS   5          HB3       LYS   5   8.424   9.535   6.612
   41   1HG   LYS   5          HG2       LYS   5  10.798   7.738   7.028
   42   2HG   LYS   5          HG3       LYS   5  10.943   8.906   5.727
   43   1HD   LYS   5          HD2       LYS   5  11.894   9.843   7.724
   44   2HD   LYS   5          HD3       LYS   5  10.444  10.762   7.288
   45   1HE   LYS   5          HE2       LYS   5   9.132   9.537   8.958
   46   2HE   LYS   5          HE3       LYS   5  10.504   8.491   9.326
   47   1HZ   LYS   5          HZ1       LYS   5  11.658  10.533  10.135
   48   2HZ   LYS   5          HZ2       LYS   5  10.298  11.402   9.878
   49   3HZ   LYS   5          HZ3       LYS   5  10.288  10.177  10.971
   50    H    ALA   6           H        ALA   6   8.690   7.044   9.500
   51    HA   ALA   6           HA       ALA   6   6.211   8.377  10.524
   52   1HB   ALA   6          HB1       ALA   6   5.821   5.939  10.319
   53   2HB   ALA   6          HB2       ALA   6   7.257   5.627  11.328
   54   3HB   ALA   6          HB3       ALA   6   5.838   6.451  12.009
   55    H    THR   7           H        THR   7   6.302   8.354  13.023
   56    HA   THR   7           HA       THR   7   8.988   8.593  14.162
   57    HB   THR   7           HB       THR   7   8.245  10.653  15.426
   58    HG1  THR   7           HG1      THR   7   6.229  10.639  13.435
   59   1HG2  THR   7          HG21      THR   7   8.806  12.283  13.736
   60   2HG2  THR   7          HG22      THR   7   9.824  10.849  13.533
   61   3HG2  THR   7          HG23      THR   7   8.451  11.130  12.431
   62    H    ASP   8           H        ASP   8   8.582   8.849  16.679
   63    HA   ASP   8           HA       ASP   8   7.025   6.831  17.800
   64   1HB   ASP   8          HB2       ASP   8   8.707   8.095  19.057
   65   2HB   ASP   8          HB3       ASP   8   7.744   9.564  18.911
   66    H    GLN   9           H        GLN   9   5.967  10.007  16.704
   67    HA   GLN   9           HA       GLN   9   3.497  10.206  18.069
   68   1HB   GLN   9          HB2       GLN   9   4.237  11.328  15.342
   69   2HB   GLN   9          HB3       GLN   9   2.982  11.935  16.413
   70   1HG   GLN   9          HG2       GLN   9   4.641  12.685  18.046
   71   2HG   GLN   9          HG3       GLN   9   5.960  11.977  17.104
   72   1HE2  GLN   9          HE22      GLN   9   6.119  12.738  14.748
   73   2HE2  GLN   9          HE21      GLN   9   5.885  14.460  14.480
   74    H    SER  10           H        SER  10   4.397   8.476  15.107
   75    HA   SER  10           HA       SER  10   1.553   7.825  14.539
   76   1HB   SER  10          HB2       SER  10   2.412   7.931  12.154
   77   2HB   SER  10          HB3       SER  10   2.380   9.458  13.060
   78    HG   SER  10           HG       SER  10   4.301   9.303  11.971
   79    H    PHE  11           H        PHE  11   4.708   6.448  15.067
   80    HA   PHE  11           HA       PHE  11   4.845   4.352  13.371
   81   1HB   PHE  11          HB2       PHE  11   6.545   5.066  15.050
   82   2HB   PHE  11          HB3       PHE  11   5.613   4.291  16.322
   83    HD1  PHE  11           HD1      PHE  11   7.767   3.809  13.366
   84    HD2  PHE  11           HD2      PHE  11   5.582   1.806  16.503
   85    HE1  PHE  11           HE1      PHE  11   9.026   1.741  12.920
   86    HE2  PHE  11           HE2      PHE  11   6.811  -0.289  16.009
   87    HZ   PHE  11           HZ       PHE  11   8.546  -0.331  14.233
   88    H    SER  12           H        SER  12   3.120   4.175  16.559
   89    HA   SER  12           HA       SER  12   2.443   1.468  16.320
   90   1HB   SER  12          HB2       SER  12   0.861   3.605  17.794
   91   2HB   SER  12          HB3       SER  12   0.970   1.878  18.187
   92    HG   SER  12           HG       SER  12   2.341   3.207  19.493
   93    H    ALA  13           H        ALA  13   0.725   4.338  15.104
   94    HA   ALA  13           HA       ALA  13  -1.649   2.879  14.362
   95   1HB   ALA  13          HB1       ALA  13  -1.703   5.325  14.750
   96   2HB   ALA  13          HB2       ALA  13  -0.595   5.573  13.379
   97   3HB   ALA  13          HB3       ALA  13  -2.223   4.924  13.102
   98    H    GLU  14           H        GLU  14   1.317   3.958  12.700
   99    HA   GLU  14           HA       GLU  14   0.536   3.050  10.130
  100   1HB   GLU  14          HB2       GLU  14   3.289   3.539  11.347
  101   2HB   GLU  14          HB3       GLU  14   3.068   3.058   9.669
  102   1HG   GLU  14          HG2       GLU  14   2.002   5.597  10.957
  103   2HG   GLU  14          HG3       GLU  14   3.355   5.470   9.836
  104    H    THR  15           H        THR  15   2.152   1.342  12.815
  105    HA   THR  15           HA       THR  15   2.639  -0.982  11.203
  106    HB   THR  15           HB       THR  15   3.467  -1.901  13.390
  107    HG1  THR  15           HG1      THR  15   3.242   0.774  14.261
  108   1HG2  THR  15          HG21      THR  15   5.021  -0.916  11.808
  109   2HG2  THR  15          HG22      THR  15   4.610   0.729  12.324
  110   3HG2  THR  15          HG23      THR  15   5.453  -0.366  13.429
  111    H    SER  16           H        SER  16  -0.266   0.049  12.314
  112    HA   SER  16           HA       SER  16  -1.152  -2.623  13.187
  113   1HB   SER  16          HB2       SER  16  -2.433   0.121  13.490
  114   2HB   SER  16          HB3       SER  16  -3.138  -1.402  14.062
  115    HG   SER  16           HG       SER  16  -0.817  -0.067  14.973
  116    H    GLU  17           H        GLU  17  -0.604  -2.043  10.384
  117    HA   GLU  17           HA       GLU  17  -3.307  -2.579   9.246
  118   1HB   GLU  17          HB2       GLU  17  -1.310  -0.576   8.138
  119   2HB   GLU  17          HB3       GLU  17  -2.819  -1.097   7.363
  120   1HG   GLU  17          HG2       GLU  17  -4.065  -0.283   9.404
  121   2HG   GLU  17          HG3       GLU  17  -2.557   0.465   9.950
  122    H    GLY  18           H        GLY  18  -1.868  -4.703   9.799
  123   1HA   GLY  18          HA2       GLY  18  -1.862  -6.642   8.360
  124   2HA   GLY  18          HA3       GLY  18  -1.118  -5.686   7.077
  125    H    VAL  19           H        VAL  19   0.682  -7.071   6.868
  126    HA   VAL  19           HA       VAL  19   2.551  -7.370   9.144
  127    HB   VAL  19           HB       VAL  19   3.096  -7.914   6.185
  128   1HG1  VAL  19          HG11      VAL  19   4.487  -8.747   8.778
  129   2HG1  VAL  19          HG12      VAL  19   4.900  -9.388   7.183
  130   3HG1  VAL  19          HG13      VAL  19   5.135  -7.670   7.521
  131   1HG2  VAL  19          HG21      VAL  19   2.785 -10.311   6.669
  132   2HG2  VAL  19          HG22      VAL  19   2.182  -9.926   8.282
  133   3HG2  VAL  19          HG23      VAL  19   1.267  -9.421   6.840
  134    H    VAL  20           H        VAL  20   4.179  -5.855   9.480
  135    HA   VAL  20           HA       VAL  20   4.608  -3.777   7.420
  136    HB   VAL  20           HB       VAL  20   4.168  -3.203  10.379
  137   1HG1  VAL  20          HG11      VAL  20   4.146  -0.804   9.553
  138   2HG1  VAL  20          HG12      VAL  20   5.714  -1.592   9.364
  139   3HG1  VAL  20          HG13      VAL  20   4.644  -1.395   7.963
  140   1HG2  VAL  20          HG21      VAL  20   1.979  -3.692   9.511
  141   2HG2  VAL  20          HG22      VAL  20   2.081  -1.936   9.447
  142   3HG2  VAL  20          HG23      VAL  20   2.307  -2.868   7.976
  143    H    LEU  21           H        LEU  21   6.763  -3.208   7.263
  144    HA   LEU  21           HA       LEU  21   8.655  -4.555   9.153
  145   1HB   LEU  21          HB2       LEU  21   8.354  -5.689   6.954
  146   2HB   LEU  21          HB3       LEU  21   9.031  -4.260   6.155
  147    HG   LEU  21           HG       LEU  21  10.397  -6.036   8.232
  148   1HD1  LEU  21          HD11      LEU  21  10.023  -7.146   6.050
  149   2HD1  LEU  21          HD12      LEU  21  10.868  -5.813   5.232
  150   3HD1  LEU  21          HD13      LEU  21  11.738  -6.876   6.362
  151   1HD2  LEU  21          HD21      LEU  21  12.505  -4.878   7.393
  152   2HD2  LEU  21          HD22      LEU  21  11.450  -3.629   6.707
  153   3HD2  LEU  21          HD23      LEU  21  11.474  -3.939   8.468
  154    H    ALA  22           H        ALA  22   9.314  -2.941  10.384
  155    HA   ALA  22           HA       ALA  22   9.511  -0.212   9.338
  156   1HB   ALA  22          HB1       ALA  22  10.128   0.294  11.702
  157   2HB   ALA  22          HB2       ALA  22   8.536  -0.496  11.554
  158   3HB   ALA  22          HB3       ALA  22   9.958  -1.434  12.081
  159    H    ASP  23           H        ASP  23  11.476   0.900   9.244
  160    HA   ASP  23           HA       ASP  23  14.003  -0.701   9.320
  161   1HB   ASP  23          HB2       ASP  23  13.420  -0.473   7.016
  162   2HB   ASP  23          HB3       ASP  23  12.984   1.225   7.217
  163    H    PHE  24           H        PHE  24  14.723   0.000  11.197
  164    HA   PHE  24           HA       PHE  24  14.666   2.796  12.089
  165   1HB   PHE  24          HB2       PHE  24  15.778   0.198  13.239
  166   2HB   PHE  24          HB3       PHE  24  16.081   1.771  13.945
  167    HD1  PHE  24           HD1      PHE  24  14.626   2.546  15.633
  168    HD2  PHE  24           HD2      PHE  24  13.164  -0.368  12.804
  169    HE1  PHE  24           HE1      PHE  24  12.405   2.604  16.711
  170    HE2  PHE  24           HE2      PHE  24  10.956  -0.313  13.914
  171    HZ   PHE  24           HZ       PHE  24  10.541   1.220  15.803
  172    H    TRP  25           H        TRP  25  16.035   4.154  11.178
  173    HA   TRP  25           HA       TRP  25  18.747   3.381  10.481
  174   1HB   TRP  25          HB2       TRP  25  18.447   3.159   8.289
  175   2HB   TRP  25          HB3       TRP  25  16.731   3.136   8.547
  176    HD1  TRP  25           HD1      TRP  25  19.385   5.010   6.785
  177    HE1  TRP  25           HE1      TRP  25  18.396   7.039   5.572
  178    HE3  TRP  25           HE3      TRP  25  14.884   5.282   9.162
  179    HZ2  TRP  25           HZ2      TRP  25  16.098   8.766   5.824
  180    HZ3  TRP  25           HZ3      TRP  25  13.344   7.205   8.734
  181    HH2  TRP  25           HH2      TRP  25  13.952   8.939   7.063
  182    H    ALA  26           H        ALA  26  19.612   5.635   9.213
  183    HA   ALA  26           HA       ALA  26  18.321   8.030  10.081
  184   1HB   ALA  26          HB1       ALA  26  19.582   7.605  12.168
  185   2HB   ALA  26          HB2       ALA  26  21.070   7.354  11.225
  186   3HB   ALA  26          HB3       ALA  26  20.297   8.961  11.287
  187    HA   PRO  27           HA       PRO  27  20.273   8.741   6.181
  188   1HB   PRO  27          HB2       PRO  27  20.589  11.645   6.849
  189   2HB   PRO  27          HB3       PRO  27  19.855  10.860   5.407
  190   1HG   PRO  27          HG2       PRO  27  18.298  11.922   7.407
  191   2HG   PRO  27          HG3       PRO  27  17.849  10.393   6.587
  192   1HD   PRO  27          HD2       PRO  27  19.180  10.756   9.277
  193   2HD   PRO  27          HD3       PRO  27  17.879   9.629   8.785
  194    H    TRP  28           H        TRP  28  22.114   9.661   9.044
  195    HA   TRP  28           HA       TRP  28  24.552  10.204   7.598
  196   1HB   TRP  28          HB2       TRP  28  25.680  10.026   9.701
  197   2HB   TRP  28          HB3       TRP  28  24.213  10.957   9.915
  198    HD1  TRP  28           HD1      TRP  28  22.469  10.077  11.626
  199    HE1  TRP  28           HE1      TRP  28  22.435   8.242  13.395
  200    HE3  TRP  28           HE3      TRP  28  26.616   7.457  10.143
  201    HZ2  TRP  28           HZ2      TRP  28  23.926   5.830  14.003
  202    HZ3  TRP  28           HZ3      TRP  28  27.258   5.372  11.312
  203    HH2  TRP  28           HH2      TRP  28  25.918   4.543  13.236
  204    H    CYS  29           H        CYS  29  22.791   7.311   8.266
  205    HA   CYS  29           HA       CYS  29  24.773   5.428   8.776
  206   1HB   CYS  29          HB2       CYS  29  22.257   5.224   8.992
  207   2HB   CYS  29          HB3       CYS  29  22.173   5.088   7.262
  208    H    GLY  30           H        GLY  30  25.959   4.012   7.493
  209   1HA   GLY  30          HA2       GLY  30  26.248   4.585   4.593
  210   2HA   GLY  30          HA3       GLY  30  27.330   3.623   5.605
  211    HA   PRO  31           HA       PRO  31  25.498  -0.081   4.434
  212   1HB   PRO  31          HB2       PRO  31  24.563  -1.498   6.657
  213   2HB   PRO  31          HB3       PRO  31  26.265  -1.342   6.138
  214   1HG   PRO  31          HG2       PRO  31  24.806   0.244   8.252
  215   2HG   PRO  31          HG3       PRO  31  26.466  -0.418   8.297
  216   1HD   PRO  31          HD2       PRO  31  25.949   2.186   7.749
  217   2HD   PRO  31          HD3       PRO  31  27.287   1.325   6.931
  218    H    CYS  32           H        CYS  32  23.187   1.752   6.414
  219    HA   CYS  32           HA       CYS  32  20.794   0.469   5.668
  220   1HB   CYS  32          HB2       CYS  32  21.145   3.468   5.932
  221   2HB   CYS  32          HB3       CYS  32  19.689   2.525   6.172
  222    H    LYS  33           H        LYS  33  22.871   2.715   3.805
  223    HA   LYS  33           HA       LYS  33  20.920   3.286   1.783
  224   1HB   LYS  33          HB2       LYS  33  23.946   3.397   1.508
  225   2HB   LYS  33          HB3       LYS  33  22.760   4.291   0.566
  226   1HG   LYS  33          HG2       LYS  33  23.334   4.686   3.538
  227   2HG   LYS  33          HG3       LYS  33  23.954   5.678   2.228
  228   1HD   LYS  33          HD2       LYS  33  21.741   6.522   1.703
  229   2HD   LYS  33          HD3       LYS  33  20.973   5.367   2.795
  230   1HE   LYS  33          HE2       LYS  33  21.086   7.659   3.778
  231   2HE   LYS  33          HE3       LYS  33  21.903   6.425   4.753
  232   1HZ   LYS  33          HZ1       LYS  33  23.379   8.194   2.899
  233   2HZ   LYS  33          HZ2       LYS  33  23.121   8.536   4.486
  234   3HZ   LYS  33          HZ3       LYS  33  23.973   7.208   4.102
  235    H    MET  34           H        MET  34  23.062   0.537   2.359
  236    HA   MET  34           HA       MET  34  23.058  -0.423  -0.348
  237   1HB   MET  34          HB2       MET  34  23.439  -2.027   2.204
  238   2HB   MET  34          HB3       MET  34  23.903  -2.503   0.571
  239   1HG   MET  34          HG2       MET  34  25.494  -0.550   0.520
  240   2HG   MET  34          HG3       MET  34  25.108  -0.247   2.212
  241   1HE   MET  34          HE1       MET  34  25.255  -2.362   4.026
  242   2HE   MET  34          HE2       MET  34  24.918  -3.727   2.942
  243   3HE   MET  34          HE3       MET  34  26.440  -3.676   3.851
  244    H    ILE  35           H        ILE  35  21.082  -1.085   2.579
  245    HA   ILE  35           HA       ILE  35  19.524  -3.050   1.141
  246    HB   ILE  35           HB       ILE  35  20.153  -3.361   3.483
  247   1HG1  ILE  35          HG12      ILE  35  17.155  -3.373   2.985
  248   2HG1  ILE  35          HG13      ILE  35  18.305  -4.606   2.466
  249   1HG2  ILE  35          HG21      ILE  35  19.913  -1.071   4.307
  250   2HG2  ILE  35          HG22      ILE  35  18.142  -1.174   4.135
  251   3HG2  ILE  35          HG23      ILE  35  19.011  -2.193   5.305
  252   1HD1  ILE  35          HD11      ILE  35  17.502  -3.903   5.315
  253   2HD1  ILE  35          HD12      ILE  35  17.171  -5.396   4.425
  254   3HD1  ILE  35          HD13      ILE  35  18.831  -5.014   4.912
  255    H    ALA  36           H        ALA  36  19.152   0.415   1.778
  256    HA   ALA  36           HA       ALA  36  16.461   0.771   1.579
  257   1HB   ALA  36          HB1       ALA  36  16.939   2.977   0.573
  258   2HB   ALA  36          HB2       ALA  36  18.003   2.596   1.940
  259   3HB   ALA  36          HB3       ALA  36  18.617   2.478   0.278
  260    HA   PRO  37           HA       PRO  37  16.141   0.526  -3.165
  261   1HB   PRO  37          HB2       PRO  37  18.044  -0.814  -4.652
  262   2HB   PRO  37          HB3       PRO  37  18.051   0.951  -4.358
  263   1HG   PRO  37          HG2       PRO  37  19.568  -1.196  -2.846
  264   2HG   PRO  37          HG3       PRO  37  20.194   0.357  -3.489
  265   1HD   PRO  37          HD2       PRO  37  19.491   0.118  -0.901
  266   2HD   PRO  37          HD3       PRO  37  19.092   1.603  -1.804
  267    H    VAL  38           H        VAL  38  17.608  -2.118  -1.313
  268    HA   VAL  38           HA       VAL  38  16.223  -4.220  -2.696
  269    HB   VAL  38           HB       VAL  38  17.270  -4.330   0.156
  270   1HG1  VAL  38          HG11      VAL  38  17.565  -6.687  -0.302
  271   2HG1  VAL  38          HG12      VAL  38  15.892  -6.244  -0.667
  272   3HG1  VAL  38          HG13      VAL  38  17.052  -6.470  -1.997
  273   1HG2  VAL  38          HG21      VAL  38  18.831  -4.759  -2.435
  274   2HG2  VAL  38          HG22      VAL  38  19.146  -3.509  -1.215
  275   3HG2  VAL  38          HG23      VAL  38  19.391  -5.206  -0.810
  276    H    LEU  39           H        LEU  39  15.515  -2.145   0.195
  277    HA   LEU  39           HA       LEU  39  12.984  -3.358   0.716
  278   1HB   LEU  39          HB2       LEU  39  13.995  -0.555   1.327
  279   2HB   LEU  39          HB3       LEU  39  12.466  -1.201   1.901
  280    HG   LEU  39           HG       LEU  39  15.194  -2.371   2.549
  281   1HD1  LEU  39          HD11      LEU  39  14.842  -1.450   4.801
  282   2HD1  LEU  39          HD12      LEU  39  14.851  -0.168   3.580
  283   3HD1  LEU  39          HD13      LEU  39  13.309  -0.715   4.274
  284   1HD2  LEU  39          HD21      LEU  39  13.456  -4.116   2.634
  285   2HD2  LEU  39          HD22      LEU  39  13.991  -3.704   4.262
  286   3HD2  LEU  39          HD23      LEU  39  12.440  -3.080   3.659
  287    H    GLU  40           H        GLU  40  13.920  -0.661  -1.492
  288    HA   GLU  40           HA       GLU  40  11.251  -0.147  -2.333
  289   1HB   GLU  40          HB2       GLU  40  13.865   0.143  -3.853
  290   2HB   GLU  40          HB3       GLU  40  12.294   0.652  -4.476
  291   1HG   GLU  40          HG2       GLU  40  11.991   2.150  -2.524
  292   2HG   GLU  40          HG3       GLU  40  13.579   1.690  -1.915
  293    H    GLU  41           H        GLU  41  13.600  -2.586  -3.531
  294    HA   GLU  41           HA       GLU  41  11.802  -3.658  -5.476
  295   1HB   GLU  41          HB2       GLU  41  14.203  -4.857  -4.054
  296   2HB   GLU  41          HB3       GLU  41  13.222  -5.764  -5.211
  297   1HG   GLU  41          HG2       GLU  41  13.609  -3.969  -6.917
  298   2HG   GLU  41          HG3       GLU  41  14.710  -3.170  -5.796
  299    H    LEU  42           H        LEU  42  12.299  -4.429  -2.030
  300    HA   LEU  42           HA       LEU  42  10.506  -6.604  -1.904
  301   1HB   LEU  42          HB2       LEU  42  12.144  -5.912  -0.100
  302   2HB   LEU  42          HB3       LEU  42  11.094  -4.548   0.276
  303    HG   LEU  42           HG       LEU  42   9.236  -6.169   0.796
  304   1HD1  LEU  42          HD11      LEU  42   9.908  -8.547   1.236
  305   2HD1  LEU  42          HD12      LEU  42   9.928  -8.115  -0.477
  306   3HD1  LEU  42          HD13      LEU  42  11.457  -8.228   0.424
  307   1HD2  LEU  42          HD21      LEU  42  10.489  -5.198   2.597
  308   2HD2  LEU  42          HD22      LEU  42  10.261  -6.914   2.969
  309   3HD2  LEU  42          HD23      LEU  42  11.830  -6.323   2.366
  310    H    ASP  43           H        ASP  43   9.938  -3.080  -1.512
  311    HA   ASP  43           HA       ASP  43   7.192  -3.195  -0.896
  312   1HB   ASP  43          HB2       ASP  43   8.674  -1.144  -0.815
  313   2HB   ASP  43          HB3       ASP  43   8.577  -1.068  -2.585
  314    H    GLN  44           H        GLN  44   8.881  -3.050  -4.026
  315    HA   GLN  44           HA       GLN  44   6.479  -3.020  -5.590
  316   1HB   GLN  44          HB2       GLN  44   9.385  -3.575  -6.264
  317   2HB   GLN  44          HB3       GLN  44   8.106  -3.493  -7.484
  318   1HG   GLN  44          HG2       GLN  44   7.593  -1.199  -6.960
  319   2HG   GLN  44          HG3       GLN  44   8.605  -1.207  -5.517
  320   1HE2  GLN  44          HE22      GLN  44  10.912  -1.336  -5.757
  321   2HE2  GLN  44          HE21      GLN  44  11.708  -0.798  -7.236
  322    H    GLU  45           H        GLU  45   7.924  -5.598  -3.871
  323    HA   GLU  45           HA       GLU  45   6.808  -7.696  -5.640
  324   1HB   GLU  45          HB2       GLU  45   8.841  -7.661  -3.376
  325   2HB   GLU  45          HB3       GLU  45   8.172  -9.162  -4.004
  326   1HG   GLU  45          HG2       GLU  45   9.548  -7.123  -5.792
  327   2HG   GLU  45          HG3       GLU  45  10.409  -8.431  -4.982
  328    H    MET  46           H        MET  46   6.468  -6.232  -2.442
  329    HA   MET  46           HA       MET  46   4.330  -8.219  -1.787
  330   1HB   MET  46          HB2       MET  46   6.310  -6.914   0.112
  331   2HB   MET  46          HB3       MET  46   5.113  -8.157   0.484
  332   1HG   MET  46          HG2       MET  46   6.415  -9.529  -1.389
  333   2HG   MET  46          HG3       MET  46   7.712  -8.397  -1.013
  334   1HE   MET  46          HE1       MET  46   5.933 -11.576  -0.231
  335   2HE   MET  46          HE2       MET  46   5.998 -11.796   1.534
  336   3HE   MET  46          HE3       MET  46   4.930 -10.552   0.832
  337    H    GLY  47           H        GLY  47   4.677  -4.939  -2.444
  338   1HA   GLY  47          HA2       GLY  47   3.451  -3.566  -0.416
  339   2HA   GLY  47          HA3       GLY  47   3.308  -3.163  -2.127
  340    H    ASP  48           H        ASP  48   1.823  -6.023  -2.122
  341    HA   ASP  48           HA       ASP  48  -0.879  -4.978  -1.974
  342   1HB   ASP  48          HB2       ASP  48  -0.244  -6.659  -3.648
  343   2HB   ASP  48          HB3       ASP  48   0.203  -7.791  -2.369
  344    H    LYS  49           H        LYS  49   1.314  -6.827   0.091
  345    HA   LYS  49           HA       LYS  49  -0.752  -7.055   2.239
  346   1HB   LYS  49          HB2       LYS  49   1.548  -8.909   1.426
  347   2HB   LYS  49          HB3       LYS  49   0.589  -9.117   2.887
  348   1HG   LYS  49          HG2       LYS  49  -0.603  -9.094   0.093
  349   2HG   LYS  49          HG3       LYS  49  -0.090 -10.560   0.936
  350   1HD   LYS  49          HD2       LYS  49  -1.636 -10.069   2.806
  351   2HD   LYS  49          HD3       LYS  49  -2.245  -8.642   1.966
  352   1HE   LYS  49          HE2       LYS  49  -2.340 -11.430   0.752
  353   2HE   LYS  49          HE3       LYS  49  -3.598 -10.828   1.837
  354   1HZ   LYS  49          HZ1       LYS  49  -4.149 -10.475  -0.496
  355   2HZ   LYS  49          HZ2       LYS  49  -4.062  -9.058   0.301
  356   3HZ   LYS  49          HZ3       LYS  49  -2.856  -9.496  -0.716
  357    H    LEU  50           H        LEU  50   2.358  -5.760   1.421
  358    HA   LEU  50           HA       LEU  50   3.128  -5.609   4.280
  359   1HB   LEU  50          HB2       LEU  50   4.572  -6.973   2.790
  360   2HB   LEU  50          HB3       LEU  50   4.759  -5.576   1.720
  361    HG   LEU  50           HG       LEU  50   5.924  -4.335   3.538
  362   1HD1  LEU  50          HD11      LEU  50   4.994  -5.457   5.513
  363   2HD1  LEU  50          HD12      LEU  50   5.723  -6.996   5.016
  364   3HD1  LEU  50          HD13      LEU  50   6.741  -5.618   5.491
  365   1HD2  LEU  50          HD21      LEU  50   8.011  -5.660   3.421
  366   2HD2  LEU  50          HD22      LEU  50   7.084  -7.015   2.728
  367   3HD2  LEU  50          HD23      LEU  50   7.203  -5.474   1.856
  368    H    LYS  51           H        LYS  51   3.808  -3.708   5.097
  369    HA   LYS  51           HA       LYS  51   3.929  -1.272   3.373
  370   1HB   LYS  51          HB2       LYS  51   1.947  -1.185   4.929
  371   2HB   LYS  51          HB3       LYS  51   3.037  -1.464   6.288
  372   1HG   LYS  51          HG2       LYS  51   4.271   0.688   5.562
  373   2HG   LYS  51          HG3       LYS  51   2.919   0.977   4.467
  374   1HD   LYS  51          HD2       LYS  51   2.711   0.614   7.491
  375   2HD   LYS  51          HD3       LYS  51   2.811   2.173   6.670
  376   1HE   LYS  51          HE2       LYS  51   0.709   1.682   5.440
  377   2HE   LYS  51          HE3       LYS  51   0.584   0.121   6.274
  378   1HZ   LYS  51          HZ1       LYS  51   0.604   2.771   7.601
  379   2HZ   LYS  51          HZ2       LYS  51  -0.741   1.850   7.371
  380   3HZ   LYS  51          HZ3       LYS  51   0.466   1.316   8.360
  381    H    ILE  52           H        ILE  52   5.833  -0.013   3.866
  382    HA   ILE  52           HA       ILE  52   7.760  -1.337   5.719
  383    HB   ILE  52           HB       ILE  52   8.312  -0.016   3.051
  384   1HG1  ILE  52          HG12      ILE  52   8.686  -2.894   4.010
  385   2HG1  ILE  52          HG13      ILE  52   7.467  -2.326   2.867
  386   1HG2  ILE  52          HG21      ILE  52  10.699  -0.459   3.455
  387   2HG2  ILE  52          HG22      ILE  52  10.065   0.592   4.708
  388   3HG2  ILE  52          HG23      ILE  52  10.324  -1.135   5.056
  389   1HD1  ILE  52          HD11      ILE  52  10.447  -2.506   2.396
  390   2HD1  ILE  52          HD12      ILE  52   9.133  -3.343   1.558
  391   3HD1  ILE  52          HD13      ILE  52   9.346  -1.596   1.335
  392    H    VAL  53           H        VAL  53   8.688   0.109   7.216
  393    HA   VAL  53           HA       VAL  53   7.652   2.928   7.075
  394    HB   VAL  53           HB       VAL  53   7.391   0.966   9.389
  395   1HG1  VAL  53          HG11      VAL  53   7.954   3.206  10.295
  396   2HG1  VAL  53          HG12      VAL  53   6.710   3.945   9.263
  397   3HG1  VAL  53          HG13      VAL  53   6.253   2.840  10.581
  398   1HG2  VAL  53          HG21      VAL  53   4.980   1.428   9.144
  399   2HG2  VAL  53          HG22      VAL  53   5.308   2.458   7.738
  400   3HG2  VAL  53          HG23      VAL  53   5.646   0.720   7.669
  401    H    LYS  54           H        LYS  54   9.562   3.973   6.653
  402    HA   LYS  54           HA       LYS  54  12.026   3.203   8.055
  403   1HB   LYS  54          HB2       LYS  54  11.436   5.664   6.354
  404   2HB   LYS  54          HB3       LYS  54  13.023   5.128   6.925
  405   1HG   LYS  54          HG2       LYS  54  12.788   3.032   5.600
  406   2HG   LYS  54          HG3       LYS  54  11.222   3.590   5.005
  407   1HD   LYS  54          HD2       LYS  54  12.901   4.005   3.328
  408   2HD   LYS  54          HD3       LYS  54  12.301   5.551   3.949
  409   1HE   LYS  54          HE2       LYS  54  14.307   5.754   5.401
  410   2HE   LYS  54          HE3       LYS  54  14.882   4.176   4.839
  411   1HZ   LYS  54          HZ1       LYS  54  15.962   5.979   3.657
  412   2HZ   LYS  54          HZ2       LYS  54  15.057   5.127   2.603
  413   3HZ   LYS  54          HZ3       LYS  54  14.539   6.583   3.137
  414    H    ILE  55           H        ILE  55  12.857   4.193   9.912
  415    HA   ILE  55           HA       ILE  55  11.544   6.644  10.881
  416    HB   ILE  55           HB       ILE  55  10.231   4.944  11.901
  417   1HG1  ILE  55          HG12      ILE  55  12.107   6.056  14.020
  418   2HG1  ILE  55          HG13      ILE  55  10.933   7.036  13.138
  419   1HG2  ILE  55          HG21      ILE  55  11.063   3.234  13.428
  420   2HG2  ILE  55          HG22      ILE  55  11.794   3.012  11.841
  421   3HG2  ILE  55          HG23      ILE  55  12.732   3.751  13.156
  422   1HD1  ILE  55          HD11      ILE  55  10.246   4.677  14.935
  423   2HD1  ILE  55          HD12      ILE  55  10.010   6.393  15.292
  424   3HD1  ILE  55          HD13      ILE  55   9.082   5.640  13.988
  425    H    ASP  56           H        ASP  56  12.939   8.065  11.553
  426    HA   ASP  56           HA       ASP  56  15.790   7.503  11.299
  427   1HB   ASP  56          HB2       ASP  56  14.937   9.473  10.240
  428   2HB   ASP  56          HB3       ASP  56  14.216  10.044  11.750
  429    H    VAL  57           H        VAL  57  16.705   6.558  13.081
  430    HA   VAL  57           HA       VAL  57  15.533   6.608  15.650
  431    HB   VAL  57           HB       VAL  57  17.535   5.481  16.432
  432   1HG1  VAL  57          HG11      VAL  57  16.814   4.455  13.658
  433   2HG1  VAL  57          HG12      VAL  57  17.387   3.520  15.055
  434   3HG1  VAL  57          HG13      VAL  57  15.790   4.294  15.093
  435   1HG2  VAL  57          HG21      VAL  57  19.446   4.975  14.979
  436   2HG2  VAL  57          HG22      VAL  57  18.792   6.019  13.707
  437   3HG2  VAL  57          HG23      VAL  57  19.323   6.715  15.250
  438    H    ASP  58           H        ASP  58  17.687   8.973  14.175
  439    HA   ASP  58           HA       ASP  58  18.869   9.935  16.615
  440   1HB   ASP  58          HB2       ASP  58  19.785  10.409  14.366
  441   2HB   ASP  58          HB3       ASP  58  18.364  11.397  14.000
  442    H    GLU  59           H        GLU  59  15.745  10.426  15.114
  443    HA   GLU  59           HA       GLU  59  15.041  12.619  17.026
  444   1HB   GLU  59          HB2       GLU  59  13.981  11.720  14.321
  445   2HB   GLU  59          HB3       GLU  59  13.107  12.873  15.323
  446   1HG   GLU  59          HG2       GLU  59  15.968  13.346  14.390
  447   2HG   GLU  59          HG3       GLU  59  14.545  13.868  13.501
  448    H    ASN  60           H        ASN  60  15.028   9.416  17.118
  449    HA   ASN  60           HA       ASN  60  12.330   9.082  18.315
  450   1HB   ASN  60          HB2       ASN  60  13.258   7.497  15.880
  451   2HB   ASN  60          HB3       ASN  60  11.882   7.076  16.887
  452   1HD2  ASN  60          HD22      ASN  60  12.985   9.177  14.351
  453   2HD2  ASN  60          HD21      ASN  60  11.471  10.041  14.125
  454    H    GLN  61           H        GLN  61  14.804   9.174  19.527
  455    HA   GLN  61           HA       GLN  61  16.138   6.714  19.928
  456   1HB   GLN  61          HB2       GLN  61  15.723   9.148  21.709
  457   2HB   GLN  61          HB3       GLN  61  16.853   7.846  22.094
  458   1HG   GLN  61          HG2       GLN  61  18.325   8.394  20.346
  459   2HG   GLN  61          HG3       GLN  61  17.087   9.202  19.401
  460   1HE2  GLN  61          HE22      GLN  61  17.340  11.364  19.240
  461   2HE2  GLN  61          HE21      GLN  61  17.944  12.387  20.526
  462    H    GLU  62           H        GLU  62  13.111   8.012  21.257
  463    HA   GLU  62           HA       GLU  62  12.792   6.202  23.421
  464   1HB   GLU  62          HB2       GLU  62  10.686   7.639  21.718
  465   2HB   GLU  62          HB3       GLU  62  10.407   6.850  23.263
  466   1HG   GLU  62          HG2       GLU  62  10.521   9.138  23.750
  467   2HG   GLU  62          HG3       GLU  62  12.022   8.437  24.343
  468    H    THR  63           H        THR  63  11.480   6.093  20.009
  469    HA   THR  63           HA       THR  63  10.236   3.587  20.336
  470    HB   THR  63           HB       THR  63  11.285   4.457  17.694
  471    HG1  THR  63           HG1      THR  63   9.700   6.118  17.575
  472   1HG2  THR  63          HG21      THR  63   9.026   3.933  16.902
  473   2HG2  THR  63          HG22      THR  63   9.660   2.595  17.860
  474   3HG2  THR  63          HG23      THR  63   8.471   3.701  18.580
  475    H    ALA  64           H        ALA  64  13.508   4.515  19.160
  476    HA   ALA  64           HA       ALA  64  14.419   1.895  18.523
  477   1HB   ALA  64          HB1       ALA  64  16.698   2.897  18.903
  478   2HB   ALA  64          HB2       ALA  64  15.665   3.944  17.911
  479   3HB   ALA  64          HB3       ALA  64  15.940   4.317  19.627
  480    H    GLY  65           H        GLY  65  14.565   3.706  21.645
  481   1HA   GLY  65          HA2       GLY  65  15.760   1.681  23.202
  482   2HA   GLY  65          HA3       GLY  65  14.714   2.988  23.788
  483    H    LYS  66           H        LYS  66  12.395   2.090  22.146
  484    HA   LYS  66           HA       LYS  66  11.028   0.489  23.963
  485   1HB   LYS  66          HB2       LYS  66  10.160   1.997  22.071
  486   2HB   LYS  66          HB3       LYS  66  10.406   0.621  20.999
  487   1HG   LYS  66          HG2       LYS  66   8.820  -0.736  22.185
  488   2HG   LYS  66          HG3       LYS  66   8.712   0.432  23.521
  489   1HD   LYS  66          HD2       LYS  66   7.675   2.085  22.104
  490   2HD   LYS  66          HD3       LYS  66   7.939   1.095  20.656
  491   1HE   LYS  66          HE2       LYS  66   6.467  -0.679  21.624
  492   2HE   LYS  66          HE3       LYS  66   6.162   0.355  23.025
  493   1HZ   LYS  66          HZ1       LYS  66   5.427   1.003  20.226
  494   2HZ   LYS  66          HZ2       LYS  66   4.395   0.533  21.396
  495   3HZ   LYS  66          HZ3       LYS  66   5.147   1.972  21.518
  496    H    TYR  67           H        TYR  67  13.073  -0.513  21.231
  497    HA   TYR  67           HA       TYR  67  12.625  -3.363  22.036
  498   1HB   TYR  67          HB2       TYR  67  13.575  -2.630  19.301
  499   2HB   TYR  67          HB3       TYR  67  12.682  -4.044  19.828
  500    HD1  TYR  67           HD1      TYR  67  10.160  -3.708  20.439
  501    HD2  TYR  67           HD2      TYR  67  12.533  -0.704  18.446
  502    HE1  TYR  67           HE1      TYR  67   8.092  -2.507  19.771
  503    HE2  TYR  67           HE2      TYR  67  10.524   0.516  17.842
  504    HH   TYR  67           HH       TYR  67   8.153   0.539  17.879
  505    H    GLY  68           H        GLY  68  14.771  -1.091  22.693
  506   1HA   GLY  68          HA2       GLY  68  16.986  -1.033  23.195
  507   2HA   GLY  68          HA3       GLY  68  17.003  -2.801  23.083
  508    H    VAL  69           H        VAL  69  16.135  -0.659  20.351
  509    HA   VAL  69           HA       VAL  69  18.176  -1.756  18.604
  510    HB   VAL  69           HB       VAL  69  16.472   0.755  18.320
  511   1HG1  VAL  69          HG11      VAL  69  18.066  -0.826  16.272
  512   2HG1  VAL  69          HG12      VAL  69  16.903   0.459  15.880
  513   3HG1  VAL  69          HG13      VAL  69  18.361   0.841  16.796
  514   1HG2  VAL  69          HG21      VAL  69  14.969  -1.111  18.517
  515   2HG2  VAL  69          HG22      VAL  69  15.024  -0.645  16.825
  516   3HG2  VAL  69          HG23      VAL  69  15.918  -2.081  17.372
  517    H    MET  70           H        MET  70  20.267  -1.187  18.610
  518    HA   MET  70           HA       MET  70  21.126   1.444  19.700
  519   1HB   MET  70          HB2       MET  70  21.200  -0.512  21.361
  520   2HB   MET  70          HB3       MET  70  22.436  -1.232  20.331
  521   1HG   MET  70          HG2       MET  70  23.418  -0.085  22.235
  522   2HG   MET  70          HG3       MET  70  23.908   0.709  20.749
  523   1HE   MET  70          HE1       MET  70  24.342   1.963  23.614
  524   2HE   MET  70          HE2       MET  70  24.804   2.777  22.101
  525   3HE   MET  70          HE3       MET  70  23.859   3.649  23.328
  526    H    SER  71           H        SER  71  21.026  -0.415  17.004
  527    HA   SER  71           HA       SER  71  23.389   0.757  15.798
  528   1HB   SER  71          HB2       SER  71  22.786  -2.237  15.653
  529   2HB   SER  71          HB3       SER  71  24.091  -1.391  14.807
  530    HG   SER  71           HG       SER  71  24.814  -2.461  16.701
  531    H    ILE  72           H        ILE  72  23.148   0.519  13.351
  532    HA   ILE  72           HA       ILE  72  20.467  -0.149  12.424
  533    HB   ILE  72           HB       ILE  72  20.287   1.970  11.154
  534   1HG1  ILE  72          HG12      ILE  72  22.432   3.082  13.017
  535   2HG1  ILE  72          HG13      ILE  72  22.692   2.686  11.316
  536   1HG2  ILE  72          HG21      ILE  72  19.066   1.503  13.318
  537   2HG2  ILE  72          HG22      ILE  72  20.290   2.477  14.154
  538   3HG2  ILE  72          HG23      ILE  72  19.242   3.213  12.928
  539   1HD1  ILE  72          HD11      ILE  72  20.765   4.800  12.369
  540   2HD1  ILE  72          HD12      ILE  72  22.291   5.067  11.514
  541   3HD1  ILE  72          HD13      ILE  72  20.930   4.306  10.670
  542    HA   PRO  73           HA       PRO  73  19.536   0.260  10.028
  543   1HB   PRO  73          HB2       PRO  73  19.003  -1.712   8.213
  544   2HB   PRO  73          HB3       PRO  73  19.703  -0.134   7.762
  545   1HG   PRO  73          HG2       PRO  73  21.142  -2.758   8.225
  546   2HG   PRO  73          HG3       PRO  73  21.368  -1.599   6.880
  547   1HD   PRO  73          HD2       PRO  73  23.018  -1.646   9.064
  548   2HD   PRO  73          HD3       PRO  73  22.590  -0.119   8.242
  549    H    THR  74           H        THR  74  17.931  -0.653  11.218
  550    HA   THR  74           HA       THR  74  18.167  -3.519  11.995
  551    HB   THR  74           HB       THR  74  17.622  -1.162  13.836
  552    HG1  THR  74           HG1      THR  74  19.601  -1.540  14.341
  553   1HG2  THR  74          HG21      THR  74  17.172  -4.145  14.300
  554   2HG2  THR  74          HG22      THR  74  17.352  -2.968  15.612
  555   3HG2  THR  74          HG23      THR  74  16.002  -2.824  14.479
  556    H    LEU  75           H        LEU  75  16.202  -4.581  12.036
  557    HA   LEU  75           HA       LEU  75  14.014  -3.143  10.630
  558   1HB   LEU  75          HB2       LEU  75  15.008  -5.976  10.220
  559   2HB   LEU  75          HB3       LEU  75  13.650  -5.237   9.392
  560    HG   LEU  75           HG       LEU  75  16.582  -4.430   9.130
  561   1HD1  LEU  75          HD11      LEU  75  14.722  -5.825   7.159
  562   2HD1  LEU  75          HD12      LEU  75  16.421  -5.388   6.884
  563   3HD1  LEU  75          HD13      LEU  75  16.013  -6.606   8.095
  564   1HD2  LEU  75          HD21      LEU  75  15.833  -3.025   7.212
  565   2HD2  LEU  75          HD22      LEU  75  14.145  -3.299   7.696
  566   3HD2  LEU  75          HD23      LEU  75  15.262  -2.445   8.775
  567    H    LEU  76           H        LEU  76  12.053  -3.392  11.613
  568    HA   LEU  76           HA       LEU  76  11.756  -5.518  13.734
  569   1HB   LEU  76          HB2       LEU  76  10.863  -2.611  13.715
  570   2HB   LEU  76          HB3       LEU  76   9.960  -3.822  14.593
  571    HG   LEU  76           HG       LEU  76  11.516  -2.464  16.003
  572   1HD1  LEU  76          HD11      LEU  76  12.045  -5.473  15.945
  573   2HD1  LEU  76          HD12      LEU  76  12.375  -4.381  17.303
  574   3HD1  LEU  76          HD13      LEU  76  10.710  -4.644  16.769
  575   1HD2  LEU  76          HD21      LEU  76  13.780  -4.048  14.759
  576   2HD2  LEU  76          HD22      LEU  76  13.400  -2.369  14.338
  577   3HD2  LEU  76          HD23      LEU  76  13.864  -2.787  16.000
  578    H    VAL  77           H        VAL  77  10.217  -6.916  13.165
  579    HA   VAL  77           HA       VAL  77   8.470  -6.229  10.845
  580    HB   VAL  77           HB       VAL  77   8.936  -8.991  12.015
  581   1HG1  VAL  77          HG11      VAL  77   6.955  -8.695  10.565
  582   2HG1  VAL  77          HG12      VAL  77   7.983  -8.031   9.278
  583   3HG1  VAL  77          HG13      VAL  77   8.162  -9.724   9.782
  584   1HG2  VAL  77          HG21      VAL  77  10.519  -9.451  10.186
  585   2HG2  VAL  77          HG22      VAL  77  10.523  -7.733   9.740
  586   3HG2  VAL  77          HG23      VAL  77  11.170  -8.265  11.310
  587    H    LEU  78           H        LEU  78   6.374  -5.826  11.401
  588    HA   LEU  78           HA       LEU  78   5.423  -6.680  14.080
  589   1HB   LEU  78          HB2       LEU  78   4.794  -4.043  12.672
  590   2HB   LEU  78          HB3       LEU  78   4.086  -4.626  14.167
  591    HG   LEU  78           HG       LEU  78   6.717  -4.747  14.870
  592   1HD1  LEU  78          HD11      LEU  78   6.557  -2.365  12.988
  593   2HD1  LEU  78          HD12      LEU  78   7.890  -2.743  14.093
  594   3HD1  LEU  78          HD13      LEU  78   7.525  -3.814  12.736
  595   1HD2  LEU  78          HD21      LEU  78   6.410  -2.669  16.085
  596   2HD2  LEU  78          HD22      LEU  78   5.038  -2.221  15.053
  597   3HD2  LEU  78          HD23      LEU  78   4.922  -3.616  16.140
  598    H    LYS  79           H        LYS  79   3.181  -7.142  14.154
  599    HA   LYS  79           HA       LYS  79   1.799  -7.314  11.529
  600   1HB   LYS  79          HB2       LYS  79   2.910  -9.575  12.606
  601   2HB   LYS  79          HB3       LYS  79   1.345  -9.620  13.399
  602   1HG   LYS  79          HG2       LYS  79   1.846  -9.409  10.402
  603   2HG   LYS  79          HG3       LYS  79   1.469 -10.900  11.268
  604   1HD   LYS  79          HD2       LYS  79  -0.758 -10.000  11.880
  605   2HD   LYS  79          HD3       LYS  79  -0.381  -8.490  11.042
  606   1HE   LYS  79          HE2       LYS  79  -1.775  -9.780   9.587
  607   2HE   LYS  79          HE3       LYS  79  -0.152  -9.714   8.896
  608   1HZ   LYS  79          HZ1       LYS  79  -1.308 -12.023  10.355
  609   2HZ   LYS  79          HZ2       LYS  79  -1.014 -11.940   8.734
  610   3HZ   LYS  79          HZ3       LYS  79   0.229 -11.949   9.750
  611    H    ASP  80           H        ASP  80   0.051  -6.121  11.753
  612    HA   ASP  80           HA       ASP  80  -1.719  -5.034  12.602
  613   1HB   ASP  80          HB2       ASP  80  -2.549  -7.347  12.456
  614   2HB   ASP  80          HB3       ASP  80  -2.114  -7.616  14.143
  615    H    GLY  81           H        GLY  81   0.658  -4.307  13.861
  616   1HA   GLY  81          HA2       GLY  81   0.779  -2.474  15.268
  617   2HA   GLY  81          HA3       GLY  81  -0.518  -3.100  16.276
  618    H    GLU  82           H        GLU  82   1.540  -5.758  16.028
  619    HA   GLU  82           HA       GLU  82   3.247  -4.817  18.279
  620   1HB   GLU  82          HB2       GLU  82   2.731  -6.752  19.507
  621   2HB   GLU  82          HB3       GLU  82   1.196  -6.067  18.949
  622   1HG   GLU  82          HG2       GLU  82   1.066  -7.779  17.171
  623   2HG   GLU  82          HG3       GLU  82   2.590  -8.482  17.721
  624    H    VAL  83           H        VAL  83   5.294  -5.834  18.477
  625    HA   VAL  83           HA       VAL  83   6.557  -6.517  15.989
  626    HB   VAL  83           HB       VAL  83   7.555  -6.869  18.843
  627   1HG1  VAL  83          HG11      VAL  83   9.814  -6.789  17.800
  628   2HG1  VAL  83          HG12      VAL  83   8.900  -8.184  17.237
  629   3HG1  VAL  83          HG13      VAL  83   9.071  -6.761  16.187
  630   1HG2  VAL  83          HG21      VAL  83   8.751  -4.748  18.468
  631   2HG2  VAL  83          HG22      VAL  83   7.975  -4.560  16.887
  632   3HG2  VAL  83          HG23      VAL  83   7.008  -4.492  18.379
  633    H    VAL  84           H        VAL  84   6.770  -8.348  15.018
  634    HA   VAL  84           HA       VAL  84   6.228 -10.875  16.472
  635    HB   VAL  84           HB       VAL  84   4.519 -10.073  14.784
  636   1HG1  VAL  84          HG11      VAL  84   5.943  -9.220  13.014
  637   2HG1  VAL  84          HG12      VAL  84   6.675 -10.820  12.771
  638   3HG1  VAL  84          HG13      VAL  84   4.970 -10.554  12.396
  639   1HG2  VAL  84          HG21      VAL  84   4.533 -12.334  15.602
  640   2HG2  VAL  84          HG22      VAL  84   4.138 -12.319  13.876
  641   3HG2  VAL  84          HG23      VAL  84   5.764 -12.806  14.419
  642    H    GLU  85           H        GLU  85   8.644  -9.034  14.581
  643    HA   GLU  85           HA       GLU  85  10.536 -11.112  15.296
  644   1HB   GLU  85          HB2       GLU  85   9.409 -11.179  12.621
  645   2HB   GLU  85          HB3       GLU  85  11.083 -10.697  12.488
  646   1HG   GLU  85          HG2       GLU  85  10.131 -13.194  13.954
  647   2HG   GLU  85          HG3       GLU  85  10.679 -13.148  12.286
  648    H    THR  86           H        THR  86  12.807 -10.467  14.582
  649    HA   THR  86           HA       THR  86  13.157  -7.573  14.047
  650    HB   THR  86           HB       THR  86  14.687  -9.090  16.195
  651    HG1  THR  86           HG1      THR  86  12.535  -8.837  16.839
  652   1HG2  THR  86          HG21      THR  86  15.927  -7.155  15.376
  653   2HG2  THR  86          HG22      THR  86  14.493  -6.119  15.537
  654   3HG2  THR  86          HG23      THR  86  15.290  -6.784  16.981
  655    H    SER  87           H        SER  87  15.152  -7.144  12.954
  656    HA   SER  87           HA       SER  87  17.123  -9.270  12.539
  657   1HB   SER  87          HB2       SER  87  15.385  -8.110  10.347
  658   2HB   SER  87          HB3       SER  87  17.090  -8.431  10.007
  659    HG   SER  87           HG       SER  87  15.303 -10.325  11.139
  660    H    VAL  88           H        VAL  88  19.185  -8.327  11.817
  661    HA   VAL  88           HA       VAL  88  19.371  -5.368  11.933
  662    HB   VAL  88           HB       VAL  88  21.213  -7.301  13.386
  663   1HG1  VAL  88          HG11      VAL  88  22.142  -5.227  14.423
  664   2HG1  VAL  88          HG12      VAL  88  22.398  -5.275  12.680
  665   3HG1  VAL  88          HG13      VAL  88  21.110  -4.253  13.355
  666   1HG2  VAL  88          HG21      VAL  88  19.091  -7.217  14.617
  667   2HG2  VAL  88          HG22      VAL  88  20.331  -6.324  15.495
  668   3HG2  VAL  88          HG23      VAL  88  19.109  -5.440  14.559
  669    H    GLY  89           H        GLY  89  20.968  -4.558  10.525
  670   1HA   GLY  89          HA2       GLY  89  22.684  -4.591   8.980
  671   2HA   GLY  89          HA3       GLY  89  22.892  -6.324   9.228
  672    H    PHE  90           H        PHE  90  23.203  -5.914   6.791
  673    HA   PHE  90           HA       PHE  90  20.968  -5.420   5.084
  674   1HB   PHE  90          HB2       PHE  90  23.334  -5.111   4.445
  675   2HB   PHE  90          HB3       PHE  90  23.617  -6.840   4.589
  676    HD1  PHE  90           HD1      PHE  90  22.719  -8.426   2.896
  677    HD2  PHE  90           HD2      PHE  90  22.173  -4.162   2.514
  678    HE1  PHE  90           HE1      PHE  90  22.053  -8.721   0.524
  679    HE2  PHE  90           HE2      PHE  90  21.532  -4.463   0.135
  680    HZ   PHE  90           HZ       PHE  90  21.458  -6.741  -0.859
  681    H    LYS  91           H        LYS  91  19.647  -6.868   3.928
  682    HA   LYS  91           HA       LYS  91  20.098  -9.738   4.081
  683   1HB   LYS  91          HB2       LYS  91  17.534  -8.426   5.100
  684   2HB   LYS  91          HB3       LYS  91  17.480  -9.954   4.238
  685   1HG   LYS  91          HG2       LYS  91  17.611 -10.833   6.281
  686   2HG   LYS  91          HG3       LYS  91  19.340 -10.705   5.972
  687   1HD   LYS  91          HD2       LYS  91  19.238  -8.442   7.204
  688   2HD   LYS  91          HD3       LYS  91  17.587  -8.852   7.658
  689   1HE   LYS  91          HE2       LYS  91  20.080 -10.515   8.270
  690   2HE   LYS  91          HE3       LYS  91  19.326  -9.398   9.401
  691   1HZ   LYS  91          HZ1       LYS  91  17.337 -10.796   9.400
  692   2HZ   LYS  91          HZ2       LYS  91  18.008 -11.822   8.302
  693   3HZ   LYS  91          HZ3       LYS  91  18.643 -11.688   9.792
  694    HA   PRO  92           HA       PRO  92  18.986  -8.782  -0.163
  695   1HB   PRO  92          HB2       PRO  92  18.727 -11.293  -1.226
  696   2HB   PRO  92          HB3       PRO  92  20.306 -10.595  -0.759
  697   1HG   PRO  92          HG2       PRO  92  18.553 -12.475   0.852
  698   2HG   PRO  92          HG3       PRO  92  20.310 -12.609   0.525
  699   1HD   PRO  92          HD2       PRO  92  19.350 -11.528   2.842
  700   2HD   PRO  92          HD3       PRO  92  20.823 -10.892   2.056
  701    H    LYS  93           H        LYS  93  17.154  -9.033  -1.656
  702    HA   LYS  93           HA       LYS  93  14.670  -8.701  -0.396
  703   1HB   LYS  93          HB2       LYS  93  13.709  -8.666  -2.635
  704   2HB   LYS  93          HB3       LYS  93  15.170  -7.705  -2.514
  705   1HG   LYS  93          HG2       LYS  93  16.340  -9.902  -3.491
  706   2HG   LYS  93          HG3       LYS  93  14.689 -10.281  -4.012
  707   1HD   LYS  93          HD2       LYS  93  14.615  -7.999  -5.126
  708   2HD   LYS  93          HD3       LYS  93  16.314  -7.775  -4.648
  709   1HE   LYS  93          HE2       LYS  93  16.782  -9.998  -5.886
  710   2HE   LYS  93          HE3       LYS  93  15.140  -9.862  -6.532
  711   1HZ   LYS  93          HZ1       LYS  93  16.605  -8.895  -8.102
  712   2HZ   LYS  93          HZ2       LYS  93  15.863  -7.611  -7.383
  713   3HZ   LYS  93          HZ3       LYS  93  17.395  -8.007  -6.985
  714    H    GLU  94           H        GLU  94  16.041 -11.685  -1.709
  715    HA   GLU  94           HA       GLU  94  13.631 -13.204  -1.582
  716   1HB   GLU  94          HB2       GLU  94  15.650 -13.874  -2.841
  717   2HB   GLU  94          HB3       GLU  94  16.528 -14.124  -1.325
  718   1HG   GLU  94          HG2       GLU  94  14.927 -15.907  -0.684
  719   2HG   GLU  94          HG3       GLU  94  13.987 -15.606  -2.147
  720    H    ALA  95           H        ALA  95  16.322 -12.781   0.806
  721    HA   ALA  95           HA       ALA  95  15.158 -14.436   2.808
  722   1HB   ALA  95          HB1       ALA  95  17.550 -13.811   2.813
  723   2HB   ALA  95          HB2       ALA  95  17.105 -12.108   3.100
  724   3HB   ALA  95          HB3       ALA  95  16.763 -13.338   4.331
  725    H    LEU  96           H        LEU  96  14.944 -10.942   2.118
  726    HA   LEU  96           HA       LEU  96  13.349 -10.224   4.347
  727   1HB   LEU  96          HB2       LEU  96  13.604  -9.095   1.553
  728   2HB   LEU  96          HB3       LEU  96  12.594  -8.351   2.784
  729    HG   LEU  96           HG       LEU  96  15.567  -8.831   3.228
  730   1HD1  LEU  96          HD11      LEU  96  14.202  -6.345   2.118
  731   2HD1  LEU  96          HD12      LEU  96  15.895  -6.443   2.658
  732   3HD1  LEU  96          HD13      LEU  96  15.361  -7.407   1.288
  733   1HD2  LEU  96          HD21      LEU  96  13.571  -6.965   4.585
  734   2HD2  LEU  96          HD22      LEU  96  14.261  -8.448   5.287
  735   3HD2  LEU  96          HD23      LEU  96  15.307  -7.070   4.941
  736    H    GLN  97           H        GLN  97  12.367 -11.303   1.055
  737    HA   GLN  97           HA       GLN  97   9.581 -11.121   1.547
  738   1HB   GLN  97          HB2       GLN  97  11.308 -12.761  -0.341
  739   2HB   GLN  97          HB3       GLN  97   9.612 -13.204  -0.174
  740   1HG   GLN  97          HG2       GLN  97   8.823 -11.161  -0.999
  741   2HG   GLN  97          HG3       GLN  97  10.392 -10.357  -0.779
  742   1HE2  GLN  97          HE22      GLN  97  12.123 -10.866  -2.205
  743   2HE2  GLN  97          HE21      GLN  97  11.802 -11.473  -3.829
  744    H    GLU  98           H        GLU  98  11.886 -13.765   2.230
  745    HA   GLU  98           HA       GLU  98   9.849 -15.569   3.121
  746   1HB   GLU  98          HB2       GLU  98  12.843 -15.439   3.640
  747   2HB   GLU  98          HB3       GLU  98  11.833 -16.719   4.307
  748   1HG   GLU  98          HG2       GLU  98  12.038 -16.116   1.323
  749   2HG   GLU  98          HG3       GLU  98  13.023 -17.303   2.167
  750    H    LEU  99           H        LEU  99  11.800 -13.128   4.837
  751    HA   LEU  99           HA       LEU  99  10.933 -13.709   7.464
  752   1HB   LEU  99          HB2       LEU  99  12.930 -12.420   6.900
  753   2HB   LEU  99          HB3       LEU  99  11.959 -11.205   6.075
  754    HG   LEU  99           HG       LEU  99  10.897 -10.560   8.167
  755   1HD1  LEU  99          HD11      LEU  99  12.788 -12.626   9.395
  756   2HD1  LEU  99          HD12      LEU  99  11.954 -11.376  10.338
  757   3HD1  LEU  99          HD13      LEU  99  11.012 -12.609   9.494
  758   1HD2  LEU  99          HD21      LEU  99  12.912  -9.412   7.361
  759   2HD2  LEU  99          HD22      LEU  99  12.898  -9.447   9.134
  760   3HD2  LEU  99          HD23      LEU  99  13.946 -10.563   8.233
  761    H    VAL 100           H        VAL 100   9.544 -11.553   4.894
  762    HA   VAL 100           HA       VAL 100   7.354 -10.655   6.504
  763    HB   VAL 100           HB       VAL 100   7.705 -10.953   3.500
  764   1HG1  VAL 100          HG11      VAL 100   5.592  -9.379   5.024
  765   2HG1  VAL 100          HG12      VAL 100   5.912  -9.217   3.290
  766   3HG1  VAL 100          HG13      VAL 100   5.318 -10.750   3.932
  767   1HG2  VAL 100          HG21      VAL 100   7.853  -8.310   4.961
  768   2HG2  VAL 100          HG22      VAL 100   9.283  -9.329   4.838
  769   3HG2  VAL 100          HG23      VAL 100   8.497  -8.799   3.362
  770    H    ASN 101           H        ASN 101   7.807 -13.359   4.243
  771    HA   ASN 101           HA       ASN 101   5.188 -14.135   3.862
  772   1HB   ASN 101          HB2       ASN 101   7.150 -14.924   2.547
  773   2HB   ASN 101          HB3       ASN 101   7.628 -15.957   3.898
  774   1HD2  ASN 101          HD22      ASN 101   5.503 -15.578   1.164
  775   2HD2  ASN 101          HD21      ASN 101   4.673 -17.104   1.322
  776    H    LYS 102           H        LYS 102   7.423 -15.183   6.416
  777    HA   LYS 102           HA       LYS 102   5.716 -17.285   7.366
  778   1HB   LYS 102          HB2       LYS 102   7.276 -17.456   9.231
  779   2HB   LYS 102          HB3       LYS 102   8.105 -17.354   7.673
  780   1HG   LYS 102          HG2       LYS 102   8.596 -14.956   8.098
  781   2HG   LYS 102          HG3       LYS 102   7.717 -15.061   9.622
  782   1HD   LYS 102          HD2       LYS 102  10.077 -15.120  10.078
  783   2HD   LYS 102          HD3       LYS 102   9.384 -16.704  10.460
  784   1HE   LYS 102          HE2       LYS 102  10.181 -17.584   8.273
  785   2HE   LYS 102          HE3       LYS 102  10.831 -15.996   7.858
  786   1HZ   LYS 102          HZ1       LYS 102  12.548 -17.469   8.714
  787   2HZ   LYS 102          HZ2       LYS 102  12.364 -16.221   9.746
  788   3HZ   LYS 102          HZ3       LYS 102  11.751 -17.691  10.115
  789    H    HIS 103           H        HIS 103   5.206 -13.971   7.656
  790    HA   HIS 103           HA       HIS 103   3.460 -14.393  10.048
  791   1HB   HIS 103          HB2       HIS 103   4.816 -11.816   9.206
  792   2HB   HIS 103          HB3       HIS 103   3.835 -12.071  10.647
  793    HD1  HIS 103           HD1      HIS 103   5.056 -14.251  12.279
  794    HD2  HIS 103           HD2      HIS 103   7.332 -11.933   9.620
  795    HE1  HIS 103           HE1      HIS 103   7.476 -14.443  13.056
  796    H    LEU 104           H        LEU 104   3.254 -14.108   6.759
  797    HA   LEU 104           HA       LEU 104   1.277 -12.117   6.324
  798   1HB   LEU 104          HB2       LEU 104   1.886 -14.776   5.000
  799   2HB   LEU 104          HB3       LEU 104   0.558 -13.759   4.449
  800    HG   LEU 104           HG       LEU 104   3.461 -12.842   4.542
  801   1HD1  LEU 104          HD11      LEU 104   1.791 -13.784   2.166
  802   2HD1  LEU 104          HD12      LEU 104   3.460 -13.180   2.108
  803   3HD1  LEU 104          HD13      LEU 104   3.097 -14.708   2.930
  804   1HD2  LEU 104          HD21      LEU 104   2.665 -11.037   3.029
  805   2HD2  LEU 104          HD22      LEU 104   0.996 -11.616   3.224
  806   3HD2  LEU 104          HD23      LEU 104   1.884 -10.944   4.604
  Start of MODEL    4
    1   1H    MET   1          H1        MET   1   0.725  -2.261   0.568
    2   2H    MET   1          H2        MET   1   1.174  -1.491   1.922
    3   3H    MET   1          H3        MET   1  -0.428  -1.741   1.606
    4    HA   MET   1           HA       MET   1  -0.258  -0.431  -0.399
    5   1HB   MET   1          HB2       MET   1  -0.187   1.821   0.626
    6   2HB   MET   1          HB3       MET   1  -1.341   0.693   1.303
    7   1HG   MET   1          HG2       MET   1   0.036   0.344   3.279
    8   2HG   MET   1          HG3       MET   1   1.312   1.378   2.637
    9   1HE   MET   1          HE1       MET   1  -0.071   4.964   2.950
   10   2HE   MET   1          HE2       MET   1   1.319   3.928   2.562
   11   3HE   MET   1          HE3       MET   1  -0.090   3.978   1.475
   12    H    ALA   2           H        ALA   2   2.532   0.935   1.536
   13    HA   ALA   2           HA       ALA   2   4.321   0.735  -0.746
   14   1HB   ALA   2          HB1       ALA   2   4.456   3.182  -1.051
   15   2HB   ALA   2          HB2       ALA   2   2.815   2.625  -1.392
   16   3HB   ALA   2          HB3       ALA   2   3.176   3.423   0.157
   17    H    ILE   3           H        ILE   3   6.280   2.402  -0.058
   18    HA   ILE   3           HA       ILE   3   7.024   1.881   2.724
   19    HB   ILE   3           HB       ILE   3   8.273   3.559   0.517
   20   1HG1  ILE   3          HG12      ILE   3   9.685   1.123   1.551
   21   2HG1  ILE   3          HG13      ILE   3   8.209   0.782   0.662
   22   1HG2  ILE   3          HG21      ILE   3   9.406   2.856   3.263
   23   2HG2  ILE   3          HG22      ILE   3  10.357   3.532   1.921
   24   3HG2  ILE   3          HG23      ILE   3   9.050   4.480   2.631
   25   1HD1  ILE   3          HD11      ILE   3   8.975   2.043  -1.256
   26   2HD1  ILE   3          HD12      ILE   3  10.471   2.515  -0.394
   27   3HD1  ILE   3          HD13      ILE   3  10.178   0.811  -0.789
   28    H    VAL   4           H        VAL   4   7.040   3.436   4.343
   29    HA   VAL   4           HA       VAL   4   5.692   6.045   3.923
   30    HB   VAL   4           HB       VAL   4   5.020   3.973   6.061
   31   1HG1  VAL   4          HG11      VAL   4   4.484   6.136   6.935
   32   2HG1  VAL   4          HG12      VAL   4   3.714   6.640   5.402
   33   3HG1  VAL   4          HG13      VAL   4   2.982   5.403   6.442
   34   1HG2  VAL   4          HG21      VAL   4   4.137   3.103   3.978
   35   2HG2  VAL   4          HG22      VAL   4   2.795   3.750   4.904
   36   3HG2  VAL   4          HG23      VAL   4   3.455   4.689   3.548
   37    H    LYS   5           H        LYS   5   6.001   7.381   5.954
   38    HA   LYS   5           HA       LYS   5   8.630   6.893   7.287
   39   1HB   LYS   5          HB2       LYS   5   8.532   8.871   5.659
   40   2HB   LYS   5          HB3       LYS   5   7.253   9.541   6.661
   41   1HG   LYS   5          HG2       LYS   5   9.277  10.672   7.208
   42   2HG   LYS   5          HG3       LYS   5   8.809   9.701   8.588
   43   1HD   LYS   5          HD2       LYS   5  11.240   9.625   8.213
   44   2HD   LYS   5          HD3       LYS   5  10.521   8.032   8.057
   45   1HE   LYS   5          HE2       LYS   5  12.159   8.307   6.309
   46   2HE   LYS   5          HE3       LYS   5  10.553   8.231   5.585
   47   1HZ   LYS   5          HZ1       LYS   5  12.078  10.743   6.063
   48   2HZ   LYS   5          HZ2       LYS   5  11.921  10.005   4.620
   49   3HZ   LYS   5          HZ3       LYS   5  10.617  10.653   5.340
   50    H    ALA   6           H        ALA   6   8.548   7.281   9.563
   51    HA   ALA   6           HA       ALA   6   6.033   8.231  10.765
   52   1HB   ALA   6          HB1       ALA   6   5.698   5.770  10.608
   53   2HB   ALA   6          HB2       ALA   6   7.229   5.517  11.487
   54   3HB   ALA   6          HB3       ALA   6   5.854   6.308  12.287
   55    H    THR   7           H        THR   7   6.297   8.415  13.144
   56    HA   THR   7           HA       THR   7   9.053   8.605  14.147
   57    HB   THR   7           HB       THR   7   8.382  10.679  15.409
   58    HG1  THR   7           HG1      THR   7   6.276  10.694  13.510
   59   1HG2  THR   7          HG21      THR   7   8.474  11.055  12.387
   60   2HG2  THR   7          HG22      THR   7   8.856  12.272  13.627
   61   3HG2  THR   7          HG23      THR   7   9.875  10.833  13.454
   62    H    ASP   8           H        ASP   8   8.763   8.884  16.675
   63    HA   ASP   8           HA       ASP   8   7.356   6.767  17.754
   64   1HB   ASP   8          HB2       ASP   8   9.127   8.267  18.850
   65   2HB   ASP   8          HB3       ASP   8   7.824   9.395  19.208
   66    H    GLN   9           H        GLN   9   6.148   9.916  16.913
   67    HA   GLN   9           HA       GLN   9   3.744  10.038  18.405
   68   1HB   GLN   9          HB2       GLN   9   4.366  11.251  15.682
   69   2HB   GLN   9          HB3       GLN   9   3.154  11.819  16.824
   70   1HG   GLN   9          HG2       GLN   9   4.887  12.532  18.400
   71   2HG   GLN   9          HG3       GLN   9   6.161  11.865  17.373
   72   1HE2  GLN   9          HE22      GLN   9   6.175  12.697  15.016
   73   2HE2  GLN   9          HE21      GLN   9   5.920  14.422  14.825
   74    H    SER  10           H        SER  10   4.533   8.469  15.316
   75    HA   SER  10           HA       SER  10   1.672   7.811  14.841
   76   1HB   SER  10          HB2       SER  10   2.411   8.048  12.430
   77   2HB   SER  10          HB3       SER  10   2.429   9.528  13.412
   78    HG   SER  10           HG       SER  10   4.293   9.419  12.216
   79    H    PHE  11           H        PHE  11   4.824   6.431  15.240
   80    HA   PHE  11           HA       PHE  11   4.933   4.378  13.474
   81   1HB   PHE  11          HB2       PHE  11   6.654   5.050  15.160
   82   2HB   PHE  11          HB3       PHE  11   5.731   4.238  16.415
   83    HD1  PHE  11           HD1      PHE  11   7.752   3.826  13.339
   84    HD2  PHE  11           HD2      PHE  11   5.784   1.776  16.589
   85    HE1  PHE  11           HE1      PHE  11   8.966   1.763  12.770
   86    HE2  PHE  11           HE2      PHE  11   6.985  -0.309  15.988
   87    HZ   PHE  11           HZ       PHE  11   8.582  -0.327  14.092
   88    H    SER  12           H        SER  12   3.254   4.159  16.675
   89    HA   SER  12           HA       SER  12   2.508   1.478  16.412
   90   1HB   SER  12          HB2       SER  12   0.958   3.623  17.906
   91   2HB   SER  12          HB3       SER  12   1.076   1.896  18.296
   92    HG   SER  12           HG       SER  12   2.454   3.190  19.603
   93    H    ALA  13           H        ALA  13   0.842   4.408  15.263
   94    HA   ALA  13           HA       ALA  13  -1.583   3.043  14.543
   95   1HB   ALA  13          HB1       ALA  13  -1.528   5.488  14.932
   96   2HB   ALA  13          HB2       ALA  13  -0.446   5.692  13.533
   97   3HB   ALA  13          HB3       ALA  13  -2.104   5.107  13.298
   98    H    GLU  14           H        GLU  14   1.388   4.005  12.813
   99    HA   GLU  14           HA       GLU  14   0.506   3.107  10.266
  100   1HB   GLU  14          HB2       GLU  14   3.303   3.546  11.401
  101   2HB   GLU  14          HB3       GLU  14   3.027   3.042   9.738
  102   1HG   GLU  14          HG2       GLU  14   2.073   5.632  11.010
  103   2HG   GLU  14          HG3       GLU  14   3.370   5.441   9.830
  104    H    THR  15           H        THR  15   2.151   1.376  12.917
  105    HA   THR  15           HA       THR  15   2.522  -0.978  11.303
  106    HB   THR  15           HB       THR  15   3.419  -1.883  13.475
  107    HG1  THR  15           HG1      THR  15   3.291   0.806  14.317
  108   1HG2  THR  15          HG21      THR  15   4.962  -0.993  11.853
  109   2HG2  THR  15          HG22      THR  15   4.574   0.684  12.285
  110   3HG2  THR  15          HG23      THR  15   5.433  -0.353  13.432
  111    H    SER  16           H        SER  16  -0.290   0.165  12.548
  112    HA   SER  16           HA       SER  16  -1.242  -2.471  13.461
  113   1HB   SER  16          HB2       SER  16  -2.445   0.311  13.744
  114   2HB   SER  16          HB3       SER  16  -3.187  -1.186  14.338
  115    HG   SER  16           HG       SER  16  -0.797   0.067  15.189
  116    H    GLU  17           H        GLU  17  -0.694  -1.952  10.658
  117    HA   GLU  17           HA       GLU  17  -3.405  -2.472   9.542
  118   1HB   GLU  17          HB2       GLU  17  -1.348  -0.565   8.371
  119   2HB   GLU  17          HB3       GLU  17  -2.819  -1.124   7.552
  120   1HG   GLU  17          HG2       GLU  17  -4.149  -0.201   9.518
  121   2HG   GLU  17          HG3       GLU  17  -2.660   0.590  10.055
  122    H    GLY  18           H        GLY  18  -2.082  -4.597  10.241
  123   1HA   GLY  18          HA2       GLY  18  -1.955  -6.647   9.064
  124   2HA   GLY  18          HA3       GLY  18  -1.381  -5.800   7.622
  125    H    VAL  19           H        VAL  19   0.411  -7.242   7.476
  126    HA   VAL  19           HA       VAL  19   2.510  -7.216   9.531
  127    HB   VAL  19           HB       VAL  19   2.578  -8.123   6.610
  128   1HG1  VAL  19          HG11      VAL  19   4.602  -8.552   8.864
  129   2HG1  VAL  19          HG12      VAL  19   4.674  -9.308   7.258
  130   3HG1  VAL  19          HG13      VAL  19   4.861  -7.560   7.415
  131   1HG2  VAL  19          HG21      VAL  19   1.071  -9.543   7.973
  132   2HG2  VAL  19          HG22      VAL  19   2.540 -10.417   7.542
  133   3HG2  VAL  19          HG23      VAL  19   2.357  -9.756   9.181
  134    H    VAL  20           H        VAL  20   4.084  -5.692   9.649
  135    HA   VAL  20           HA       VAL  20   4.451  -3.758   7.442
  136    HB   VAL  20           HB       VAL  20   4.053  -3.037  10.385
  137   1HG1  VAL  20          HG11      VAL  20   4.527  -1.298   7.923
  138   2HG1  VAL  20          HG12      VAL  20   4.067  -0.680   9.519
  139   3HG1  VAL  20          HG13      VAL  20   5.620  -1.488   9.308
  140   1HG2  VAL  20          HG21      VAL  20   1.991  -1.774   9.416
  141   2HG2  VAL  20          HG22      VAL  20   2.186  -2.780   7.985
  142   3HG2  VAL  20          HG23      VAL  20   1.864  -3.523   9.560
  143    H    LEU  21           H        LEU  21   6.633  -3.153   7.264
  144    HA   LEU  21           HA       LEU  21   8.535  -4.539   9.118
  145   1HB   LEU  21          HB2       LEU  21   8.161  -5.614   6.888
  146   2HB   LEU  21          HB3       LEU  21   8.856  -4.178   6.120
  147    HG   LEU  21           HG       LEU  21  10.202  -6.105   8.068
  148   1HD1  LEU  21          HD11      LEU  21   9.821  -6.984   5.781
  149   2HD1  LEU  21          HD12      LEU  21  10.709  -5.596   5.110
  150   3HD1  LEU  21          HD13      LEU  21  11.541  -6.787   6.136
  151   1HD2  LEU  21          HD21      LEU  21  12.339  -4.925   7.386
  152   2HD2  LEU  21          HD22      LEU  21  11.333  -3.600   6.770
  153   3HD2  LEU  21          HD23      LEU  21  11.305  -4.044   8.502
  154    H    ALA  22           H        ALA  22   9.253  -2.938  10.367
  155    HA   ALA  22           HA       ALA  22   9.487  -0.210   9.329
  156   1HB   ALA  22          HB1       ALA  22   9.934  -1.455  12.062
  157   2HB   ALA  22          HB2       ALA  22  10.146   0.268  11.689
  158   3HB   ALA  22          HB3       ALA  22   8.533  -0.482  11.548
  159    H    ASP  23           H        ASP  23  11.467   0.859   9.219
  160    HA   ASP  23           HA       ASP  23  13.977  -0.760   9.331
  161   1HB   ASP  23          HB2       ASP  23  13.423  -0.561   7.015
  162   2HB   ASP  23          HB3       ASP  23  12.998   1.144   7.191
  163    H    PHE  24           H        PHE  24  14.674  -0.033  11.207
  164    HA   PHE  24           HA       PHE  24  14.626   2.774  12.051
  165   1HB   PHE  24          HB2       PHE  24  15.747   0.200  13.245
  166   2HB   PHE  24          HB3       PHE  24  16.038   1.790  13.924
  167    HD1  PHE  24           HD1      PHE  24  13.167  -0.432  12.850
  168    HD2  PHE  24           HD2      PHE  24  14.545   2.646  15.542
  169    HE1  PHE  24           HE1      PHE  24  10.948  -0.365  13.942
  170    HE2  PHE  24           HE2      PHE  24  12.320   2.709  16.607
  171    HZ   PHE  24           HZ       PHE  24  10.490   1.246  15.757
  172    H    TRP  25           H        TRP  25  16.013   4.123  11.149
  173    HA   TRP  25           HA       TRP  25  18.722   3.325  10.457
  174   1HB   TRP  25          HB2       TRP  25  18.418   3.103   8.266
  175   2HB   TRP  25          HB3       TRP  25  16.700   3.110   8.518
  176    HD1  TRP  25           HD1      TRP  25  19.397   4.944   6.774
  177    HE1  TRP  25           HE1      TRP  25  18.453   7.002   5.575
  178    HE3  TRP  25           HE3      TRP  25  14.889   5.281   9.131
  179    HZ2  TRP  25           HZ2      TRP  25  16.235   8.823   5.905
  180    HZ3  TRP  25           HZ3      TRP  25  13.427   7.276   8.775
  181    HH2  TRP  25           HH2      TRP  25  14.117   9.059   7.192
  182    H    ALA  26           H        ALA  26  19.623   5.562   9.205
  183    HA   ALA  26           HA       ALA  26  18.349   7.975  10.045
  184   1HB   ALA  26          HB1       ALA  26  20.324   8.893  11.268
  185   2HB   ALA  26          HB2       ALA  26  19.568   7.563  12.151
  186   3HB   ALA  26          HB3       ALA  26  21.068   7.271  11.238
  187    HA   PRO  27           HA       PRO  27  20.384   8.719   6.189
  188   1HB   PRO  27          HB2       PRO  27  20.759  11.599   6.928
  189   2HB   PRO  27          HB3       PRO  27  20.031  10.867   5.456
  190   1HG   PRO  27          HG2       PRO  27  18.467  11.922   7.452
  191   2HG   PRO  27          HG3       PRO  27  17.994  10.426   6.589
  192   1HD   PRO  27          HD2       PRO  27  19.283  10.691   9.310
  193   2HD   PRO  27          HD3       PRO  27  17.964   9.608   8.769
  194    H    TRP  28           H        TRP  28  22.183   9.558   9.108
  195    HA   TRP  28           HA       TRP  28  24.662  10.065   7.718
  196   1HB   TRP  28          HB2       TRP  28  25.741   9.860   9.844
  197   2HB   TRP  28          HB3       TRP  28  24.289  10.817  10.029
  198    HD1  TRP  28           HD1      TRP  28  22.490   9.963  11.697
  199    HE1  TRP  28           HE1      TRP  28  22.387   8.128  13.463
  200    HE3  TRP  28           HE3      TRP  28  26.621   7.271  10.300
  201    HZ2  TRP  28           HZ2      TRP  28  23.824   5.692  14.104
  202    HZ3  TRP  28           HZ3      TRP  28  27.202   5.177  11.483
  203    HH2  TRP  28           HH2      TRP  28  25.809   4.371  13.378
  204    H    CYS  29           H        CYS  29  22.832   7.205   8.323
  205    HA   CYS  29           HA       CYS  29  24.774   5.281   8.864
  206   1HB   CYS  29          HB2       CYS  29  22.243   5.124   9.027
  207   2HB   CYS  29          HB3       CYS  29  22.203   4.994   7.295
  208    H    GLY  30           H        GLY  30  25.915   3.815   7.580
  209   1HA   GLY  30          HA2       GLY  30  26.267   4.441   4.694
  210   2HA   GLY  30          HA3       GLY  30  27.338   3.462   5.706
  211    HA   PRO  31           HA       PRO  31  25.469  -0.223   4.470
  212   1HB   PRO  31          HB2       PRO  31  24.457  -1.619   6.687
  213   2HB   PRO  31          HB3       PRO  31  26.161  -1.545   6.155
  214   1HG   PRO  31          HG2       PRO  31  24.794   0.112   8.279
  215   2HG   PRO  31          HG3       PRO  31  26.416  -0.642   8.320
  216   1HD   PRO  31          HD2       PRO  31  26.094   1.977   7.791
  217   2HD   PRO  31          HD3       PRO  31  27.319   1.027   6.902
  218    H    CYS  32           H        CYS  32  23.177   1.651   6.435
  219    HA   CYS  32           HA       CYS  32  20.762   0.436   5.653
  220   1HB   CYS  32          HB2       CYS  32  21.202   3.421   5.941
  221   2HB   CYS  32          HB3       CYS  32  19.707   2.532   6.134
  222    H    LYS  33           H        LYS  33  22.910   2.655   3.834
  223    HA   LYS  33           HA       LYS  33  21.003   3.286   1.790
  224   1HB   LYS  33          HB2       LYS  33  24.038   3.327   1.584
  225   2HB   LYS  33          HB3       LYS  33  22.901   4.240   0.603
  226   1HG   LYS  33          HG2       LYS  33  23.353   4.640   3.597
  227   2HG   LYS  33          HG3       LYS  33  24.091   5.591   2.317
  228   1HD   LYS  33          HD2       LYS  33  21.963   6.526   1.653
  229   2HD   LYS  33          HD3       LYS  33  21.070   5.411   2.688
  230   1HE   LYS  33          HE2       LYS  33  21.228   7.721   3.649
  231   2HE   LYS  33          HE3       LYS  33  21.861   6.448   4.700
  232   1HZ   LYS  33          HZ1       LYS  33  23.616   8.112   2.995
  233   2HZ   LYS  33          HZ2       LYS  33  23.249   8.459   4.558
  234   3HZ   LYS  33          HZ3       LYS  33  24.045   7.082   4.230
  235    H    MET  34           H        MET  34  23.099   0.497   2.362
  236    HA   MET  34           HA       MET  34  23.091  -0.443  -0.354
  237   1HB   MET  34          HB2       MET  34  23.428  -2.086   2.179
  238   2HB   MET  34          HB3       MET  34  23.905  -2.538   0.544
  239   1HG   MET  34          HG2       MET  34  25.520  -0.603   0.547
  240   2HG   MET  34          HG3       MET  34  25.121  -0.331   2.241
  241   1HE   MET  34          HE1       MET  34  25.225  -2.486   4.011
  242   2HE   MET  34          HE2       MET  34  24.887  -3.825   2.896
  243   3HE   MET  34          HE3       MET  34  26.400  -3.808   3.820
  244    H    ILE  35           H        ILE  35  21.093  -1.095   2.562
  245    HA   ILE  35           HA       ILE  35  19.528  -3.040   1.105
  246    HB   ILE  35           HB       ILE  35  20.172  -3.370   3.443
  247   1HG1  ILE  35          HG12      ILE  35  17.172  -3.398   2.970
  248   2HG1  ILE  35          HG13      ILE  35  18.323  -4.605   2.390
  249   1HG2  ILE  35          HG21      ILE  35  19.908  -1.091   4.293
  250   2HG2  ILE  35          HG22      ILE  35  18.138  -1.214   4.125
  251   3HG2  ILE  35          HG23      ILE  35  19.020  -2.239   5.279
  252   1HD1  ILE  35          HD11      ILE  35  18.909  -5.051   4.828
  253   2HD1  ILE  35          HD12      ILE  35  17.550  -3.995   5.271
  254   3HD1  ILE  35          HD13      ILE  35  17.259  -5.476   4.347
  255    H    ALA  36           H        ALA  36  19.154   0.413   1.794
  256    HA   ALA  36           HA       ALA  36  16.458   0.767   1.605
  257   1HB   ALA  36          HB1       ALA  36  16.933   2.990   0.636
  258   2HB   ALA  36          HB2       ALA  36  17.991   2.588   2.000
  259   3HB   ALA  36          HB3       ALA  36  18.614   2.499   0.340
  260    HA   PRO  37           HA       PRO  37  16.157   0.596  -3.141
  261   1HB   PRO  37          HB2       PRO  37  18.068  -0.720  -4.640
  262   2HB   PRO  37          HB3       PRO  37  18.069   1.042  -4.323
  263   1HG   PRO  37          HG2       PRO  37  19.590  -1.120  -2.838
  264   2HG   PRO  37          HG3       PRO  37  20.209   0.446  -3.455
  265   1HD   PRO  37          HD2       PRO  37  19.501   0.161  -0.874
  266   2HD   PRO  37          HD3       PRO  37  19.100   1.660  -1.753
  267    H    VAL  38           H        VAL  38  17.648  -2.085  -1.350
  268    HA   VAL  38           HA       VAL  38  16.255  -4.149  -2.775
  269    HB   VAL  38           HB       VAL  38  17.279  -4.368   0.073
  270   1HG1  VAL  38          HG11      VAL  38  15.962  -6.264  -0.847
  271   2HG1  VAL  38          HG12      VAL  38  17.087  -6.388  -2.217
  272   3HG1  VAL  38          HG13      VAL  38  17.646  -6.701  -0.545
  273   1HG2  VAL  38          HG21      VAL  38  19.163  -3.447  -1.230
  274   2HG2  VAL  38          HG22      VAL  38  19.439  -5.140  -0.847
  275   3HG2  VAL  38          HG23      VAL  38  18.919  -4.678  -2.485
  276    H    LEU  39           H        LEU  39  15.548  -2.147   0.157
  277    HA   LEU  39           HA       LEU  39  13.046  -3.408   0.705
  278   1HB   LEU  39          HB2       LEU  39  14.123  -0.644   1.363
  279   2HB   LEU  39          HB3       LEU  39  12.549  -1.205   1.912
  280    HG   LEU  39           HG       LEU  39  15.091  -2.754   2.476
  281   1HD1  LEU  39          HD11      LEU  39  15.124  -1.706   4.712
  282   2HD1  LEU  39          HD12      LEU  39  15.364  -0.520   3.421
  283   3HD1  LEU  39          HD13      LEU  39  13.785  -0.637   4.230
  284   1HD2  LEU  39          HD21      LEU  39  13.788  -3.765   4.301
  285   2HD2  LEU  39          HD22      LEU  39  12.383  -2.759   3.887
  286   3HD2  LEU  39          HD23      LEU  39  12.951  -4.008   2.764
  287    H    GLU  40           H        GLU  40  13.919  -0.651  -1.443
  288    HA   GLU  40           HA       GLU  40  11.240  -0.164  -2.287
  289   1HB   GLU  40          HB2       GLU  40  13.852   0.198  -3.793
  290   2HB   GLU  40          HB3       GLU  40  12.275   0.687  -4.413
  291   1HG   GLU  40          HG2       GLU  40  11.937   2.157  -2.452
  292   2HG   GLU  40          HG3       GLU  40  13.524   1.710  -1.829
  293    H    GLU  41           H        GLU  41  13.636  -2.534  -3.517
  294    HA   GLU  41           HA       GLU  41  11.878  -3.599  -5.496
  295   1HB   GLU  41          HB2       GLU  41  14.323  -4.734  -4.102
  296   2HB   GLU  41          HB3       GLU  41  13.404  -5.641  -5.311
  297   1HG   GLU  41          HG2       GLU  41  13.742  -3.855  -6.970
  298   2HG   GLU  41          HG3       GLU  41  14.637  -2.892  -5.802
  299    H    LEU  42           H        LEU  42  12.343  -4.414  -2.060
  300    HA   LEU  42           HA       LEU  42  10.575  -6.630  -1.982
  301   1HB   LEU  42          HB2       LEU  42  12.149  -5.989  -0.131
  302   2HB   LEU  42          HB3       LEU  42  11.148  -4.578   0.202
  303    HG   LEU  42           HG       LEU  42   9.204  -6.118   0.694
  304   1HD1  LEU  42          HD11      LEU  42  11.367  -8.260   0.486
  305   2HD1  LEU  42          HD12      LEU  42   9.757  -8.501   1.194
  306   3HD1  LEU  42          HD13      LEU  42   9.911  -8.115  -0.525
  307   1HD2  LEU  42          HD21      LEU  42  10.133  -6.845   2.911
  308   2HD2  LEU  42          HD22      LEU  42  11.736  -6.312   2.352
  309   3HD2  LEU  42          HD23      LEU  42  10.421  -5.145   2.510
  310    H    ASP  43           H        ASP  43   9.981  -3.102  -1.556
  311    HA   ASP  43           HA       ASP  43   7.233  -3.263  -0.973
  312   1HB   ASP  43          HB2       ASP  43   8.687  -1.189  -0.856
  313   2HB   ASP  43          HB3       ASP  43   8.586  -1.088  -2.625
  314    H    GLN  44           H        GLN  44   8.944  -3.099  -4.085
  315    HA   GLN  44           HA       GLN  44   6.553  -3.050  -5.667
  316   1HB   GLN  44          HB2       GLN  44   9.464  -3.603  -6.319
  317   2HB   GLN  44          HB3       GLN  44   8.198  -3.512  -7.551
  318   1HG   GLN  44          HG2       GLN  44   7.682  -1.223  -7.022
  319   2HG   GLN  44          HG3       GLN  44   8.665  -1.241  -5.560
  320   1HE2  GLN  44          HE22      GLN  44  10.968  -1.318  -5.744
  321   2HE2  GLN  44          HE21      GLN  44  11.794  -0.782  -7.208
  322    H    GLU  45           H        GLU  45   8.006  -5.652  -3.971
  323    HA   GLU  45           HA       GLU  45   6.826  -7.730  -5.729
  324   1HB   GLU  45          HB2       GLU  45   8.901  -7.730  -3.506
  325   2HB   GLU  45          HB3       GLU  45   8.195  -9.218  -4.134
  326   1HG   GLU  45          HG2       GLU  45   9.596  -7.178  -5.905
  327   2HG   GLU  45          HG3       GLU  45  10.424  -8.532  -5.140
  328    H    MET  46           H        MET  46   6.635  -6.351  -2.468
  329    HA   MET  46           HA       MET  46   4.501  -8.328  -1.790
  330   1HB   MET  46          HB2       MET  46   6.492  -6.954   0.050
  331   2HB   MET  46          HB3       MET  46   5.342  -8.215   0.483
  332   1HG   MET  46          HG2       MET  46   7.750  -8.476  -1.369
  333   2HG   MET  46          HG3       MET  46   7.601  -9.144   0.246
  334   1HE   MET  46          HE1       MET  46   5.377 -12.209  -0.123
  335   2HE   MET  46          HE2       MET  46   6.623 -11.366   0.825
  336   3HE   MET  46          HE3       MET  46   5.016 -10.608   0.574
  337    H    GLY  47           H        GLY  47   4.887  -4.977  -2.361
  338   1HA   GLY  47          HA2       GLY  47   3.626  -3.745  -0.230
  339   2HA   GLY  47          HA3       GLY  47   3.586  -3.181  -1.906
  340    H    ASP  48           H        ASP  48   2.073  -5.931  -2.381
  341    HA   ASP  48           HA       ASP  48  -0.623  -4.924  -2.277
  342   1HB   ASP  48          HB2       ASP  48   0.111  -6.498  -4.001
  343   2HB   ASP  48          HB3       ASP  48   0.508  -7.702  -2.772
  344    H    LYS  49           H        LYS  49   1.422  -6.841  -0.153
  345    HA   LYS  49           HA       LYS  49  -0.778  -7.167   1.846
  346   1HB   LYS  49          HB2       LYS  49   1.735  -8.827   1.307
  347   2HB   LYS  49          HB3       LYS  49   0.620  -9.115   2.630
  348   1HG   LYS  49          HG2       LYS  49  -0.260  -9.250  -0.288
  349   2HG   LYS  49          HG3       LYS  49   0.483 -10.597   0.556
  350   1HD   LYS  49          HD2       LYS  49  -1.756 -11.102   0.808
  351   2HD   LYS  49          HD3       LYS  49  -1.335 -10.374   2.342
  352   1HE   LYS  49          HE2       LYS  49  -3.408  -9.440   1.862
  353   2HE   LYS  49          HE3       LYS  49  -2.301  -8.162   1.375
  354   1HZ   LYS  49          HZ1       LYS  49  -4.007  -8.520  -0.269
  355   2HZ   LYS  49          HZ2       LYS  49  -2.574  -8.921  -0.941
  356   3HZ   LYS  49          HZ3       LYS  49  -3.613 -10.091  -0.447
  357    H    LEU  50           H        LEU  50   2.416  -5.874   1.213
  358    HA   LEU  50           HA       LEU  50   2.981  -5.626   4.097
  359   1HB   LEU  50          HB2       LEU  50   4.517  -6.805   2.486
  360   2HB   LEU  50          HB3       LEU  50   4.731  -5.279   1.628
  361    HG   LEU  50           HG       LEU  50   5.822  -4.295   3.625
  362   1HD1  LEU  50          HD11      LEU  50   4.750  -5.583   5.435
  363   2HD1  LEU  50          HD12      LEU  50   5.463  -7.086   4.814
  364   3HD1  LEU  50          HD13      LEU  50   6.490  -5.807   5.489
  365   1HD2  LEU  50          HD21      LEU  50   7.888  -5.630   3.507
  366   2HD2  LEU  50          HD22      LEU  50   6.995  -6.922   2.669
  367   3HD2  LEU  50          HD23      LEU  50   7.183  -5.326   1.913
  368    H    LYS  51           H        LYS  51   3.943  -3.698   4.925
  369    HA   LYS  51           HA       LYS  51   3.851  -1.217   3.324
  370   1HB   LYS  51          HB2       LYS  51   1.852  -1.154   4.856
  371   2HB   LYS  51          HB3       LYS  51   2.910  -1.521   6.220
  372   1HG   LYS  51          HG2       LYS  51   4.194   0.646   5.624
  373   2HG   LYS  51          HG3       LYS  51   2.859   1.017   4.538
  374   1HD   LYS  51          HD2       LYS  51   2.645   0.529   7.547
  375   2HD   LYS  51          HD3       LYS  51   2.757   2.114   6.780
  376   1HE   LYS  51          HE2       LYS  51   0.642   1.663   5.541
  377   2HE   LYS  51          HE3       LYS  51   0.495   0.103   6.376
  378   1HZ   LYS  51          HZ1       LYS  51   0.419   1.317   8.463
  379   2HZ   LYS  51          HZ2       LYS  51   0.567   2.762   7.689
  380   3HZ   LYS  51          HZ3       LYS  51  -0.787   1.856   7.476
  381    H    ILE  52           H        ILE  52   5.761   0.014   3.831
  382    HA   ILE  52           HA       ILE  52   7.660  -1.317   5.709
  383    HB   ILE  52           HB       ILE  52   8.251   0.013   3.053
  384   1HG1  ILE  52          HG12      ILE  52   8.606  -2.871   3.989
  385   2HG1  ILE  52          HG13      ILE  52   7.402  -2.289   2.839
  386   1HG2  ILE  52          HG21      ILE  52  10.632  -0.443   3.479
  387   2HG2  ILE  52          HG22      ILE  52   9.991   0.605   4.728
  388   3HG2  ILE  52          HG23      ILE  52  10.236  -1.124   5.072
  389   1HD1  ILE  52          HD11      ILE  52   9.305  -1.548   1.336
  390   2HD1  ILE  52          HD12      ILE  52  10.390  -2.470   2.401
  391   3HD1  ILE  52          HD13      ILE  52   9.086  -3.297   1.538
  392    H    VAL  53           H        VAL  53   8.640   0.141   7.182
  393    HA   VAL  53           HA       VAL  53   7.635   2.969   7.044
  394    HB   VAL  53           HB       VAL  53   7.411   1.028   9.378
  395   1HG1  VAL  53          HG11      VAL  53   6.363   2.937  10.602
  396   2HG1  VAL  53          HG12      VAL  53   8.064   3.248  10.261
  397   3HG1  VAL  53          HG13      VAL  53   6.813   4.026   9.268
  398   1HG2  VAL  53          HG21      VAL  53   5.598   0.838   7.708
  399   2HG2  VAL  53          HG22      VAL  53   5.010   1.529   9.224
  400   3HG2  VAL  53          HG23      VAL  53   5.296   2.581   7.825
  401    H    LYS  54           H        LYS  54   9.544   4.026   6.612
  402    HA   LYS  54           HA       LYS  54  12.019   3.194   7.997
  403   1HB   LYS  54          HB2       LYS  54  11.497   5.654   6.270
  404   2HB   LYS  54          HB3       LYS  54  13.070   5.100   6.870
  405   1HG   LYS  54          HG2       LYS  54  12.683   2.912   5.651
  406   2HG   LYS  54          HG3       LYS  54  11.276   3.643   4.881
  407   1HD   LYS  54          HD2       LYS  54  14.142   4.669   4.679
  408   2HD   LYS  54          HD3       LYS  54  13.316   3.672   3.472
  409   1HE   LYS  54          HE2       LYS  54  11.590   5.458   3.191
  410   2HE   LYS  54          HE3       LYS  54  12.474   6.472   4.340
  411   1HZ   LYS  54          HZ1       LYS  54  13.036   7.026   2.055
  412   2HZ   LYS  54          HZ2       LYS  54  14.361   6.451   2.808
  413   3HZ   LYS  54          HZ3       LYS  54  13.546   5.512   1.746
  414    H    ILE  55           H        ILE  55  12.849   4.199   9.852
  415    HA   ILE  55           HA       ILE  55  11.526   6.642  10.822
  416    HB   ILE  55           HB       ILE  55  10.185   4.990  11.852
  417   1HG1  ILE  55          HG12      ILE  55  12.129   5.954  13.983
  418   2HG1  ILE  55          HG13      ILE  55  11.003   7.019  13.138
  419   1HG2  ILE  55          HG21      ILE  55  10.983   3.218  13.343
  420   2HG2  ILE  55          HG22      ILE  55  11.652   2.995  11.728
  421   3HG2  ILE  55          HG23      ILE  55  12.663   3.670  13.024
  422   1HD1  ILE  55          HD11      ILE  55   9.087   5.691  13.968
  423   2HD1  ILE  55          HD12      ILE  55  10.210   4.650  14.879
  424   3HD1  ILE  55          HD13      ILE  55  10.061   6.365  15.282
  425    H    ASP  56           H        ASP  56  12.920   8.051  11.547
  426    HA   ASP  56           HA       ASP  56  15.758   7.466  11.264
  427   1HB   ASP  56          HB2       ASP  56  14.819   9.448  10.240
  428   2HB   ASP  56          HB3       ASP  56  14.260  10.040  11.807
  429    H    VAL  57           H        VAL  57  16.722   6.524  13.040
  430    HA   VAL  57           HA       VAL  57  15.629   6.639  15.648
  431    HB   VAL  57           HB       VAL  57  17.658   5.547  16.406
  432   1HG1  VAL  57          HG11      VAL  57  16.823   4.427  13.699
  433   2HG1  VAL  57          HG12      VAL  57  17.478   3.535  15.090
  434   3HG1  VAL  57          HG13      VAL  57  15.880   4.300  15.194
  435   1HG2  VAL  57          HG21      VAL  57  19.399   6.744  15.105
  436   2HG2  VAL  57          HG22      VAL  57  19.526   4.991  14.927
  437   3HG2  VAL  57          HG23      VAL  57  18.823   5.958  13.621
  438    H    ASP  58           H        ASP  58  17.716   8.972  14.031
  439    HA   ASP  58           HA       ASP  58  19.005   9.993  16.385
  440   1HB   ASP  58          HB2       ASP  58  19.813  10.362  14.066
  441   2HB   ASP  58          HB3       ASP  58  18.406  11.387  13.754
  442    H    GLU  59           H        GLU  59  15.773  10.339  15.185
  443    HA   GLU  59           HA       GLU  59  15.217  12.539  17.140
  444   1HB   GLU  59          HB2       GLU  59  13.864  11.885  14.494
  445   2HB   GLU  59          HB3       GLU  59  13.317  13.113  15.644
  446   1HG   GLU  59          HG2       GLU  59  15.588  14.228  15.413
  447   2HG   GLU  59          HG3       GLU  59  15.916  13.133  14.066
  448    H    ASN  60           H        ASN  60  15.053   9.293  16.926
  449    HA   ASN  60           HA       ASN  60  12.403   9.058  18.269
  450   1HB   ASN  60          HB2       ASN  60  13.266   7.446  15.836
  451   2HB   ASN  60          HB3       ASN  60  11.876   7.085  16.852
  452   1HD2  ASN  60          HD22      ASN  60  13.033   9.115  14.276
  453   2HD2  ASN  60          HD21      ASN  60  11.550  10.028  14.056
  454    H    GLN  61           H        GLN  61  14.901   9.128  19.470
  455    HA   GLN  61           HA       GLN  61  16.150   6.652  19.942
  456   1HB   GLN  61          HB2       GLN  61  15.762   9.094  21.720
  457   2HB   GLN  61          HB3       GLN  61  16.782   7.730  22.169
  458   1HG   GLN  61          HG2       GLN  61  17.189   9.366  19.629
  459   2HG   GLN  61          HG3       GLN  61  18.012   9.681  21.153
  460   1HE2  GLN  61          HE22      GLN  61  17.988   7.721  18.289
  461   2HE2  GLN  61          HE21      GLN  61  19.353   6.694  18.714
  462    H    GLU  62           H        GLU  62  13.126   7.990  21.320
  463    HA   GLU  62           HA       GLU  62  12.877   6.085  23.415
  464   1HB   GLU  62          HB2       GLU  62  10.779   7.710  21.912
  465   2HB   GLU  62          HB3       GLU  62  10.448   6.734  23.352
  466   1HG   GLU  62          HG2       GLU  62  12.128   8.063  24.631
  467   2HG   GLU  62          HG3       GLU  62  12.393   9.079  23.215
  468    H    THR  63           H        THR  63  11.564   6.061  20.014
  469    HA   THR  63           HA       THR  63  10.247   3.568  20.333
  470    HB   THR  63           HB       THR  63  11.290   4.465  17.700
  471    HG1  THR  63           HG1      THR  63   9.332   5.902  19.169
  472   1HG2  THR  63          HG21      THR  63   9.707   2.600  17.762
  473   2HG2  THR  63          HG22      THR  63   8.496   3.633  18.551
  474   3HG2  THR  63          HG23      THR  63   9.035   3.977  16.888
  475    H    ALA  64           H        ALA  64  13.515   4.481  19.117
  476    HA   ALA  64           HA       ALA  64  14.403   1.865  18.444
  477   1HB   ALA  64          HB1       ALA  64  15.939   4.271  19.560
  478   2HB   ALA  64          HB2       ALA  64  16.694   2.858  18.824
  479   3HB   ALA  64          HB3       ALA  64  15.656   3.911  17.844
  480    H    GLY  65           H        GLY  65  14.592   3.633  21.575
  481   1HA   GLY  65          HA2       GLY  65  15.778   1.598  23.119
  482   2HA   GLY  65          HA3       GLY  65  14.731   2.900  23.714
  483    H    LYS  66           H        LYS  66  12.406   1.995  22.053
  484    HA   LYS  66           HA       LYS  66  11.087   0.375  23.891
  485   1HB   LYS  66          HB2       LYS  66  10.167   1.872  21.946
  486   2HB   LYS  66          HB3       LYS  66  10.440   0.480  20.921
  487   1HG   LYS  66          HG2       LYS  66   8.137   0.538  21.535
  488   2HG   LYS  66          HG3       LYS  66   8.877  -0.878  22.282
  489   1HD   LYS  66          HD2       LYS  66   8.961   0.292  24.463
  490   2HD   LYS  66          HD3       LYS  66   8.331   1.772  23.704
  491   1HE   LYS  66          HE2       LYS  66   6.256   0.550  23.079
  492   2HE   LYS  66          HE3       LYS  66   6.891  -0.919  23.831
  493   1HZ   LYS  66          HZ1       LYS  66   5.389   0.253  25.308
  494   2HZ   LYS  66          HZ2       LYS  66   6.880   0.246  25.962
  495   3HZ   LYS  66          HZ3       LYS  66   6.294   1.605  25.266
  496    H    TYR  67           H        TYR  67  13.117  -0.596  21.142
  497    HA   TYR  67           HA       TYR  67  12.667  -3.454  21.912
  498   1HB   TYR  67          HB2       TYR  67  13.603  -2.681  19.180
  499   2HB   TYR  67          HB3       TYR  67  12.709  -4.101  19.695
  500    HD1  TYR  67           HD1      TYR  67  10.201  -3.737  20.388
  501    HD2  TYR  67           HD2      TYR  67  12.549  -0.767  18.319
  502    HE1  TYR  67           HE1      TYR  67   8.131  -2.499  19.803
  503    HE2  TYR  67           HE2      TYR  67  10.539   0.491  17.794
  504    HH   TYR  67           HH       TYR  67   8.183   0.592  17.983
  505    H    GLY  68           H        GLY  68  14.815  -1.193  22.595
  506   1HA   GLY  68          HA2       GLY  68  17.039  -1.132  23.068
  507   2HA   GLY  68          HA3       GLY  68  17.055  -2.900  22.949
  508    H    VAL  69           H        VAL  69  16.169  -0.706  20.253
  509    HA   VAL  69           HA       VAL  69  18.127  -1.842  18.451
  510    HB   VAL  69           HB       VAL  69  16.515   0.735  18.249
  511   1HG1  VAL  69          HG11      VAL  69  18.387   0.793  16.696
  512   2HG1  VAL  69          HG12      VAL  69  18.025  -0.849  16.141
  513   3HG1  VAL  69          HG13      VAL  69  16.901   0.484  15.797
  514   1HG2  VAL  69          HG21      VAL  69  14.964  -1.098  18.430
  515   2HG2  VAL  69          HG22      VAL  69  15.005  -0.594  16.747
  516   3HG2  VAL  69          HG23      VAL  69  15.870  -2.064  17.248
  517    H    MET  70           H        MET  70  20.212  -1.446  18.509
  518    HA   MET  70           HA       MET  70  21.297   1.007  19.815
  519   1HB   MET  70          HB2       MET  70  22.985  -0.428  20.760
  520   2HB   MET  70          HB3       MET  70  21.360  -1.004  21.184
  521   1HG   MET  70          HG2       MET  70  21.556  -2.777  19.452
  522   2HG   MET  70          HG3       MET  70  23.172  -2.191  19.052
  523   1HE   MET  70          HE1       MET  70  20.917  -4.168  21.524
  524   2HE   MET  70          HE2       MET  70  21.984  -4.467  22.913
  525   3HE   MET  70          HE3       MET  70  21.372  -2.830  22.605
  526    H    SER  71           H        SER  71  21.206  -0.823  17.025
  527    HA   SER  71           HA       SER  71  23.404   0.623  15.747
  528   1HB   SER  71          HB2       SER  71  22.971  -2.389  15.467
  529   2HB   SER  71          HB3       SER  71  24.199  -1.425  14.633
  530    HG   SER  71           HG       SER  71  25.048  -2.517  16.453
  531    H    ILE  72           H        ILE  72  23.136   0.402  13.284
  532    HA   ILE  72           HA       ILE  72  20.439  -0.265  12.400
  533    HB   ILE  72           HB       ILE  72  20.247   1.880  11.158
  534   1HG1  ILE  72          HG12      ILE  72  22.402   2.960  13.029
  535   2HG1  ILE  72          HG13      ILE  72  22.662   2.582  11.324
  536   1HG2  ILE  72          HG21      ILE  72  20.272   2.322  14.166
  537   2HG2  ILE  72          HG22      ILE  72  19.221   3.090  12.962
  538   3HG2  ILE  72          HG23      ILE  72  19.039   1.374  13.316
  539   1HD1  ILE  72          HD11      ILE  72  20.906   4.217  10.696
  540   2HD1  ILE  72          HD12      ILE  72  20.742   4.690  12.401
  541   3HD1  ILE  72          HD13      ILE  72  22.271   4.960  11.548
  542    HA   PRO  73           HA       PRO  73  19.485   0.206   9.995
  543   1HB   PRO  73          HB2       PRO  73  18.919  -1.749   8.172
  544   2HB   PRO  73          HB3       PRO  73  19.640  -0.178   7.726
  545   1HG   PRO  73          HG2       PRO  73  21.044  -2.825   8.170
  546   2HG   PRO  73          HG3       PRO  73  21.280  -1.662   6.830
  547   1HD   PRO  73          HD2       PRO  73  22.935  -1.746   9.010
  548   2HD   PRO  73          HD3       PRO  73  22.533  -0.208   8.194
  549    H    THR  74           H        THR  74  17.850  -0.715  11.167
  550    HA   THR  74           HA       THR  74  18.094  -3.586  11.931
  551    HB   THR  74           HB       THR  74  17.587  -1.236  13.788
  552    HG1  THR  74           HG1      THR  74  19.565  -1.655  14.293
  553   1HG2  THR  74          HG21      THR  74  17.090  -4.213  14.234
  554   2HG2  THR  74          HG22      THR  74  17.322  -3.056  15.558
  555   3HG2  THR  74          HG23      THR  74  15.955  -2.868  14.453
  556    H    LEU  75           H        LEU  75  16.161  -4.671  11.930
  557    HA   LEU  75           HA       LEU  75  13.950  -3.225  10.571
  558   1HB   LEU  75          HB2       LEU  75  14.927  -6.065  10.156
  559   2HB   LEU  75          HB3       LEU  75  13.559  -5.320   9.346
  560    HG   LEU  75           HG       LEU  75  16.491  -4.522   9.043
  561   1HD1  LEU  75          HD11      LEU  75  16.275  -5.443   6.780
  562   2HD1  LEU  75          HD12      LEU  75  15.906  -6.678   7.990
  563   3HD1  LEU  75          HD13      LEU  75  14.586  -5.892   7.097
  564   1HD2  LEU  75          HD21      LEU  75  14.035  -3.366   7.663
  565   2HD2  LEU  75          HD22      LEU  75  15.178  -2.526   8.727
  566   3HD2  LEU  75          HD23      LEU  75  15.715  -3.096   7.149
  567    H    LEU  76           H        LEU  76  12.010  -3.423  11.587
  568    HA   LEU  76           HA       LEU  76  11.681  -5.552  13.695
  569   1HB   LEU  76          HB2       LEU  76  10.882  -2.618  13.707
  570   2HB   LEU  76          HB3       LEU  76   9.936  -3.803  14.573
  571    HG   LEU  76           HG       LEU  76  11.518  -2.529  16.007
  572   1HD1  LEU  76          HD11      LEU  76  10.660  -4.698  16.733
  573   2HD1  LEU  76          HD12      LEU  76  11.952  -5.554  15.876
  574   3HD1  LEU  76          HD13      LEU  76  12.339  -4.511  17.256
  575   1HD2  LEU  76          HD21      LEU  76  13.400  -2.447  14.337
  576   2HD2  LEU  76          HD22      LEU  76  13.861  -2.907  15.989
  577   3HD2  LEU  76          HD23      LEU  76  13.742  -4.142  14.724
  578    H    VAL  77           H        VAL  77  10.141  -6.923  13.056
  579    HA   VAL  77           HA       VAL  77   8.321  -6.070  10.851
  580    HB   VAL  77           HB       VAL  77   8.560  -8.884  11.933
  581   1HG1  VAL  77          HG11      VAL  77   7.686  -7.745   9.237
  582   2HG1  VAL  77          HG12      VAL  77   7.655  -9.456   9.710
  583   3HG1  VAL  77          HG13      VAL  77   6.601  -8.294  10.529
  584   1HG2  VAL  77          HG21      VAL  77  10.048  -9.466  10.061
  585   2HG2  VAL  77          HG22      VAL  77  10.230  -7.746   9.651
  586   3HG2  VAL  77          HG23      VAL  77  10.850  -8.379  11.192
  587    H    LEU  78           H        LEU  78   6.314  -5.509  11.548
  588    HA   LEU  78           HA       LEU  78   5.435  -6.411  14.240
  589   1HB   LEU  78          HB2       LEU  78   4.869  -3.733  12.885
  590   2HB   LEU  78          HB3       LEU  78   4.006  -4.366  14.278
  591    HG   LEU  78           HG       LEU  78   6.481  -4.580  15.293
  592   1HD1  LEU  78          HD11      LEU  78   7.686  -3.733  13.346
  593   2HD1  LEU  78          HD12      LEU  78   6.750  -2.237  13.377
  594   3HD1  LEU  78          HD13      LEU  78   7.856  -2.625  14.710
  595   1HD2  LEU  78          HD21      LEU  78   5.004  -1.936  15.268
  596   2HD2  LEU  78          HD22      LEU  78   4.594  -3.326  16.289
  597   3HD2  LEU  78          HD23      LEU  78   6.152  -2.521  16.487
  598    H    LYS  79           H        LYS  79   3.178  -6.872  14.355
  599    HA   LYS  79           HA       LYS  79   1.735  -6.943  11.783
  600   1HB   LYS  79          HB2       LYS  79   2.687  -9.199  12.055
  601   2HB   LYS  79          HB3       LYS  79   1.897  -9.360  13.639
  602   1HG   LYS  79          HG2       LYS  79  -0.304  -9.148  12.552
  603   2HG   LYS  79          HG3       LYS  79   0.489  -8.849  10.987
  604   1HD   LYS  79          HD2       LYS  79   1.452 -11.119  11.036
  605   2HD   LYS  79          HD3       LYS  79   0.652 -11.436  12.591
  606   1HE   LYS  79          HE2       LYS  79  -1.554 -11.123  11.560
  607   2HE   LYS  79          HE3       LYS  79  -0.812 -10.635  10.031
  608   1HZ   LYS  79          HZ1       LYS  79  -0.550 -13.331  11.227
  609   2HZ   LYS  79          HZ2       LYS  79  -1.539 -12.938   9.992
  610   3HZ   LYS  79          HZ3       LYS  79   0.079 -12.850   9.782
  611    H    ASP  80           H        ASP  80  -0.049  -5.854  12.099
  612    HA   ASP  80           HA       ASP  80  -1.767  -4.777  13.053
  613   1HB   ASP  80          HB2       ASP  80  -2.612  -7.083  12.954
  614   2HB   ASP  80          HB3       ASP  80  -2.072  -7.361  14.611
  615    H    GLY  81           H        GLY  81   0.661  -4.025  14.154
  616   1HA   GLY  81          HA2       GLY  81   0.936  -2.233  15.569
  617   2HA   GLY  81          HA3       GLY  81  -0.363  -2.800  16.612
  618    H    GLU  82           H        GLU  82   1.613  -5.530  16.313
  619    HA   GLU  82           HA       GLU  82   3.423  -4.650  18.503
  620   1HB   GLU  82          HB2       GLU  82   2.888  -6.578  19.746
  621   2HB   GLU  82          HB3       GLU  82   1.359  -5.832  19.250
  622   1HG   GLU  82          HG2       GLU  82   1.086  -7.523  17.476
  623   2HG   GLU  82          HG3       GLU  82   2.611  -8.283  17.945
  624    H    VAL  83           H        VAL  83   5.423  -5.868  18.669
  625    HA   VAL  83           HA       VAL  83   6.586  -6.461  16.115
  626    HB   VAL  83           HB       VAL  83   7.660  -7.114  18.880
  627   1HG1  VAL  83          HG11      VAL  83   9.052  -6.782  16.170
  628   2HG1  VAL  83          HG12      VAL  83   9.874  -6.996  17.730
  629   3HG1  VAL  83          HG13      VAL  83   8.878  -8.296  17.082
  630   1HG2  VAL  83          HG21      VAL  83   8.047  -4.619  17.156
  631   2HG2  VAL  83          HG22      VAL  83   7.199  -4.691  18.718
  632   3HG2  VAL  83          HG23      VAL  83   8.933  -4.999  18.645
  633    H    VAL  84           H        VAL  84   6.733  -8.205  15.019
  634    HA   VAL  84           HA       VAL  84   5.932 -10.797  16.205
  635    HB   VAL  84           HB       VAL  84   4.333  -9.583  14.601
  636   1HG1  VAL  84          HG11      VAL  84   5.824  -8.869  12.852
  637   2HG1  VAL  84          HG12      VAL  84   6.345 -10.535  12.533
  638   3HG1  VAL  84          HG13      VAL  84   4.688 -10.040  12.182
  639   1HG2  VAL  84          HG21      VAL  84   3.593 -11.671  13.565
  640   2HG2  VAL  84          HG22      VAL  84   5.114 -12.453  14.083
  641   3HG2  VAL  84          HG23      VAL  84   3.964 -11.845  15.286
  642    H    GLU  85           H        GLU  85   8.478  -8.985  14.477
  643    HA   GLU  85           HA       GLU  85  10.255 -11.191  15.052
  644   1HB   GLU  85          HB2       GLU  85   9.147 -11.015  12.361
  645   2HB   GLU  85          HB3       GLU  85  10.853 -10.658  12.288
  646   1HG   GLU  85          HG2       GLU  85   9.741 -13.154  13.638
  647   2HG   GLU  85          HG3       GLU  85  10.198 -13.059  11.943
  648    H    THR  86           H        THR  86  12.575 -10.571  14.367
  649    HA   THR  86           HA       THR  86  12.999  -7.669  13.962
  650    HB   THR  86           HB       THR  86  14.431  -9.277  16.106
  651    HG1  THR  86           HG1      THR  86  12.266  -8.986  16.696
  652   1HG2  THR  86          HG21      THR  86  15.744  -7.355  15.387
  653   2HG2  THR  86          HG22      THR  86  14.333  -6.286  15.519
  654   3HG2  THR  86          HG23      THR  86  15.059  -7.000  16.975
  655    H    SER  87           H        SER  87  15.048  -7.253  12.915
  656    HA   SER  87           HA       SER  87  17.012  -9.390  12.611
  657   1HB   SER  87          HB2       SER  87  15.547  -8.162  10.235
  658   2HB   SER  87          HB3       SER  87  17.110  -8.988  10.100
  659    HG   SER  87           HG       SER  87  15.133 -10.325  11.509
  660    H    VAL  88           H        VAL  88  19.096  -8.462  11.857
  661    HA   VAL  88           HA       VAL  88  19.277  -5.500  12.029
  662    HB   VAL  88           HB       VAL  88  21.045  -7.474  13.515
  663   1HG1  VAL  88          HG11      VAL  88  21.962  -5.430  14.621
  664   2HG1  VAL  88          HG12      VAL  88  22.286  -5.458  12.888
  665   3HG1  VAL  88          HG13      VAL  88  20.989  -4.425  13.527
  666   1HG2  VAL  88          HG21      VAL  88  18.874  -7.379  14.659
  667   2HG2  VAL  88          HG22      VAL  88  20.088  -6.519  15.602
  668   3HG2  VAL  88          HG23      VAL  88  18.918  -5.602  14.632
  669    H    GLY  89           H        GLY  89  20.858  -4.646  10.655
  670   1HA   GLY  89          HA2       GLY  89  22.625  -4.616   9.169
  671   2HA   GLY  89          HA3       GLY  89  22.868  -6.351   9.389
  672    H    PHE  90           H        PHE  90  23.208  -5.956   6.969
  673    HA   PHE  90           HA       PHE  90  21.033  -5.412   5.219
  674   1HB   PHE  90          HB2       PHE  90  23.427  -5.213   4.627
  675   2HB   PHE  90          HB3       PHE  90  23.618  -6.956   4.763
  676    HD1  PHE  90           HD1      PHE  90  22.214  -4.201   2.729
  677    HD2  PHE  90           HD2      PHE  90  22.785  -8.469   3.008
  678    HE1  PHE  90           HE1      PHE  90  21.549  -4.451   0.348
  679    HE2  PHE  90           HE2      PHE  90  22.114  -8.710   0.631
  680    HZ   PHE  90           HZ       PHE  90  21.490  -6.704  -0.700
  681    H    LYS  91           H        LYS  91  19.761  -6.827   3.949
  682    HA   LYS  91           HA       LYS  91  19.989  -9.723   4.219
  683   1HB   LYS  91          HB2       LYS  91  17.547  -8.176   5.102
  684   2HB   LYS  91          HB3       LYS  91  17.349  -9.701   4.229
  685   1HG   LYS  91          HG2       LYS  91  18.857 -10.824   5.882
  686   2HG   LYS  91          HG3       LYS  91  18.841  -9.323   6.847
  687   1HD   LYS  91          HD2       LYS  91  16.372  -9.471   6.988
  688   2HD   LYS  91          HD3       LYS  91  16.398 -10.972   6.053
  689   1HE   LYS  91          HE2       LYS  91  17.767 -10.557   8.755
  690   2HE   LYS  91          HE3       LYS  91  16.172 -11.275   8.553
  691   1HZ   LYS  91          HZ1       LYS  91  17.200 -13.082   7.300
  692   2HZ   LYS  91          HZ2       LYS  91  18.691 -12.420   7.485
  693   3HZ   LYS  91          HZ3       LYS  91  17.866 -12.960   8.777
  694    HA   PRO  92           HA       PRO  92  19.146  -8.726  -0.120
  695   1HB   PRO  92          HB2       PRO  92  18.941 -11.254  -1.169
  696   2HB   PRO  92          HB3       PRO  92  20.501 -10.521  -0.690
  697   1HG   PRO  92          HG2       PRO  92  18.767 -12.423   0.914
  698   2HG   PRO  92          HG3       PRO  92  20.532 -12.519   0.616
  699   1HD   PRO  92          HD2       PRO  92  19.507 -11.448   2.907
  700   2HD   PRO  92          HD3       PRO  92  20.977 -10.777   2.143
  701    H    LYS  93           H        LYS  93  17.346  -9.002  -1.631
  702    HA   LYS  93           HA       LYS  93  14.815  -8.709  -0.475
  703   1HB   LYS  93          HB2       LYS  93  13.945  -8.945  -2.807
  704   2HB   LYS  93          HB3       LYS  93  15.224  -7.762  -2.596
  705   1HG   LYS  93          HG2       LYS  93  16.866  -9.574  -3.442
  706   2HG   LYS  93          HG3       LYS  93  15.440 -10.507  -3.903
  707   1HD   LYS  93          HD2       LYS  93  16.084  -7.663  -4.815
  708   2HD   LYS  93          HD3       LYS  93  16.489  -9.135  -5.721
  709   1HE   LYS  93          HE2       LYS  93  13.996  -9.733  -5.672
  710   2HE   LYS  93          HE3       LYS  93  13.699  -8.095  -5.070
  711   1HZ   LYS  93          HZ1       LYS  93  14.947  -8.808  -7.661
  712   2HZ   LYS  93          HZ2       LYS  93  13.472  -8.147  -7.454
  713   3HZ   LYS  93          HZ3       LYS  93  14.821  -7.272  -7.108
  714    H    GLU  94           H        GLU  94  16.307 -11.721  -1.605
  715    HA   GLU  94           HA       GLU  94  13.909 -13.275  -1.480
  716   1HB   GLU  94          HB2       GLU  94  16.837 -14.077  -1.183
  717   2HB   GLU  94          HB3       GLU  94  15.486 -15.216  -1.312
  718   1HG   GLU  94          HG2       GLU  94  14.881 -14.234  -3.524
  719   2HG   GLU  94          HG3       GLU  94  16.274 -13.157  -3.421
  720    H    ALA  95           H        ALA  95  16.537 -12.690   0.938
  721    HA   ALA  95           HA       ALA  95  15.368 -14.277   2.990
  722   1HB   ALA  95          HB1       ALA  95  17.749 -13.592   3.002
  723   2HB   ALA  95          HB2       ALA  95  17.258 -11.892   3.221
  724   3HB   ALA  95          HB3       ALA  95  16.927 -13.084   4.489
  725    H    LEU  96           H        LEU  96  15.084 -10.816   2.147
  726    HA   LEU  96           HA       LEU  96  13.429 -10.062   4.324
  727   1HB   LEU  96          HB2       LEU  96  13.636  -9.007   1.489
  728   2HB   LEU  96          HB3       LEU  96  12.666  -8.247   2.745
  729    HG   LEU  96           HG       LEU  96  15.681  -8.624   2.937
  730   1HD1  LEU  96          HD11      LEU  96  14.100  -6.105   2.290
  731   2HD1  LEU  96          HD12      LEU  96  15.864  -6.243   2.467
  732   3HD1  LEU  96          HD13      LEU  96  15.049  -7.063   1.135
  733   1HD2  LEU  96          HD21      LEU  96  13.717  -7.080   4.682
  734   2HD2  LEU  96          HD22      LEU  96  14.692  -8.493   5.157
  735   3HD2  LEU  96          HD23      LEU  96  15.484  -6.963   4.794
  736    H    GLN  97           H        GLN  97  12.539 -11.280   1.058
  737    HA   GLN  97           HA       GLN  97   9.733 -11.128   1.528
  738   1HB   GLN  97          HB2       GLN  97  11.492 -12.757  -0.343
  739   2HB   GLN  97          HB3       GLN  97   9.776 -13.156  -0.206
  740   1HG   GLN  97          HG2       GLN  97   9.070 -11.013  -0.895
  741   2HG   GLN  97          HG3       GLN  97  10.704 -10.335  -0.769
  742   1HE2  GLN  97          HE22      GLN  97  12.345 -11.029  -2.241
  743   2HE2  GLN  97          HE21      GLN  97  11.917 -11.598  -3.855
  744    H    GLU  98           H        GLU  98  12.109 -13.706   2.235
  745    HA   GLU  98           HA       GLU  98  10.140 -15.569   3.133
  746   1HB   GLU  98          HB2       GLU  98  13.109 -15.301   3.743
  747   2HB   GLU  98          HB3       GLU  98  12.105 -16.569   4.456
  748   1HG   GLU  98          HG2       GLU  98  11.443 -17.340   2.194
  749   2HG   GLU  98          HG3       GLU  98  12.494 -16.131   1.465
  750    H    LEU  99           H        LEU  99  11.959 -13.025   4.871
  751    HA   LEU  99           HA       LEU  99  11.012 -13.565   7.463
  752   1HB   LEU  99          HB2       LEU  99  12.968 -12.201   6.920
  753   2HB   LEU  99          HB3       LEU  99  11.965 -11.042   6.055
  754    HG   LEU  99           HG       LEU  99  10.822 -10.428   8.117
  755   1HD1  LEU  99          HD11      LEU  99  11.024 -12.435   9.481
  756   2HD1  LEU  99          HD12      LEU  99  12.801 -12.372   9.399
  757   3HD1  LEU  99          HD13      LEU  99  11.906 -11.145  10.312
  758   1HD2  LEU  99          HD21      LEU  99  12.731  -9.180   9.092
  759   2HD2  LEU  99          HD22      LEU  99  13.862 -10.251   8.237
  760   3HD2  LEU  99          HD23      LEU  99  12.783  -9.177   7.320
  761    H    VAL 100           H        VAL 100   9.641 -11.464   4.848
  762    HA   VAL 100           HA       VAL 100   7.351 -10.603   6.316
  763    HB   VAL 100           HB       VAL 100   7.847 -11.022   3.340
  764   1HG1  VAL 100          HG11      VAL 100   5.546  -9.546   4.671
  765   2HG1  VAL 100          HG12      VAL 100   5.965  -9.441   2.945
  766   3HG1  VAL 100          HG13      VAL 100   5.441 -10.981   3.631
  767   1HG2  VAL 100          HG21      VAL 100   9.267  -9.268   4.583
  768   2HG2  VAL 100          HG22      VAL 100   8.375  -8.752   3.163
  769   3HG2  VAL 100          HG23      VAL 100   7.766  -8.366   4.801
  770    H    ASN 101           H        ASN 101   7.960 -13.390   4.199
  771    HA   ASN 101           HA       ASN 101   5.350 -14.383   4.037
  772   1HB   ASN 101          HB2       ASN 101   7.332 -14.905   2.572
  773   2HB   ASN 101          HB3       ASN 101   7.905 -16.015   3.826
  774   1HD2  ASN 101          HD22      ASN 101   5.809 -15.553   1.137
  775   2HD2  ASN 101          HD21      ASN 101   5.000 -17.099   1.193
  776    H    LYS 102           H        LYS 102   7.742 -14.856   6.599
  777    HA   LYS 102           HA       LYS 102   6.660 -17.071   7.969
  778   1HB   LYS 102          HB2       LYS 102   7.801 -14.486   9.103
  779   2HB   LYS 102          HB3       LYS 102   7.459 -15.923  10.056
  780   1HG   LYS 102          HG2       LYS 102   9.149 -17.178   8.659
  781   2HG   LYS 102          HG3       LYS 102   9.578 -15.624   7.911
  782   1HD   LYS 102          HD2       LYS 102  10.033 -14.689  10.198
  783   2HD   LYS 102          HD3       LYS 102   9.722 -16.299  10.876
  784   1HE   LYS 102          HE2       LYS 102  11.570 -17.178   9.359
  785   2HE   LYS 102          HE3       LYS 102  11.937 -15.502   8.937
  786   1HZ   LYS 102          HZ1       LYS 102  13.358 -16.241  10.714
  787   2HZ   LYS 102          HZ2       LYS 102  12.365 -15.106  11.354
  788   3HZ   LYS 102          HZ3       LYS 102  12.105 -16.696  11.644
  789    H    HIS 103           H        HIS 103   5.299 -13.820   7.623
  790    HA   HIS 103           HA       HIS 103   3.306 -14.424   9.767
  791   1HB   HIS 103          HB2       HIS 103   4.410 -11.731   8.912
  792   2HB   HIS 103          HB3       HIS 103   3.385 -12.073  10.307
  793    HD1  HIS 103           HD1      HIS 103   4.720 -14.045  12.060
  794    HD2  HIS 103           HD2      HIS 103   6.942 -11.634   9.421
  795    HE1  HIS 103           HE1      HIS 103   7.130 -14.099  12.886
  796    H    LEU 104           H        LEU 104   3.470 -14.032   6.410
  797    HA   LEU 104           HA       LEU 104   1.049 -12.579   5.931
  798   1HB   LEU 104          HB2       LEU 104   2.398 -14.781   4.313
  799   2HB   LEU 104          HB3       LEU 104   1.013 -13.848   3.766
  800    HG   LEU 104           HG       LEU 104   3.776 -12.721   4.370
  801   1HD1  LEU 104          HD11      LEU 104   2.287 -13.058   1.734
  802   2HD1  LEU 104          HD12      LEU 104   3.908 -12.369   1.956
  803   3HD1  LEU 104          HD13      LEU 104   3.622 -14.081   2.300
  804   1HD2  LEU 104          HD21      LEU 104   2.159 -10.987   4.887
  805   2HD2  LEU 104          HD22      LEU 104   2.878 -10.617   3.321
  806   3HD2  LEU 104          HD23      LEU 104   1.249 -11.328   3.396
  Start of MODEL    5
    1   1H    MET   1          H1        MET   1  -0.332  -1.872   1.703
    2   2H    MET   1          H2        MET   1   0.601  -2.161   0.386
    3   3H    MET   1          H3        MET   1   1.314  -1.855   1.814
    4    HA   MET   1           HA       MET   1  -0.302  -0.016   0.199
    5   1HB   MET   1          HB2       MET   1  -0.690   0.357   2.604
    6   2HB   MET   1          HB3       MET   1   1.034   0.618   2.859
    7   1HG   MET   1          HG2       MET   1  -0.219   2.727   2.701
    8   2HG   MET   1          HG3       MET   1   0.970   2.608   1.412
    9   1HE   MET   1          HE1       MET   1  -1.310   4.776   1.439
   10   2HE   MET   1          HE2       MET   1  -0.119   4.609   0.128
   11   3HE   MET   1          HE3       MET   1  -1.852   4.723  -0.254
   12    H    ALA   2           H        ALA   2   2.786   0.894   1.782
   13    HA   ALA   2           HA       ALA   2   4.403   0.636  -0.595
   14   1HB   ALA   2          HB1       ALA   2   2.903   2.535  -1.255
   15   2HB   ALA   2          HB2       ALA   2   3.353   3.388   0.239
   16   3HB   ALA   2          HB3       ALA   2   4.568   3.070  -1.016
   17    H    ILE   3           H        ILE   3   6.415   2.365  -0.038
   18    HA   ILE   3           HA       ILE   3   7.226   1.914   2.745
   19    HB   ILE   3           HB       ILE   3   8.439   3.567   0.500
   20   1HG1  ILE   3          HG12      ILE   3   9.893   1.163   1.540
   21   2HG1  ILE   3          HG13      ILE   3   8.399   0.784   0.698
   22   1HG2  ILE   3          HG21      ILE   3   9.218   4.514   2.616
   23   2HG2  ILE   3          HG22      ILE   3   9.607   2.901   3.243
   24   3HG2  ILE   3          HG23      ILE   3  10.534   3.594   1.896
   25   1HD1  ILE   3          HD11      ILE   3  10.614   2.518  -0.452
   26   2HD1  ILE   3          HD12      ILE   3  10.318   0.806  -0.812
   27   3HD1  ILE   3          HD13      ILE   3   9.098   2.024  -1.263
   28    H    VAL   4           H        VAL   4   7.141   3.442   4.333
   29    HA   VAL   4           HA       VAL   4   5.858   6.075   3.856
   30    HB   VAL   4           HB       VAL   4   5.248   4.080   6.081
   31   1HG1  VAL   4          HG11      VAL   4   3.300   5.557   6.593
   32   2HG1  VAL   4          HG12      VAL   4   4.842   6.310   6.923
   33   3HG1  VAL   4          HG13      VAL   4   3.939   6.753   5.446
   34   1HG2  VAL   4          HG21      VAL   4   2.962   3.899   5.034
   35   2HG2  VAL   4          HG22      VAL   4   3.576   4.803   3.635
   36   3HG2  VAL   4          HG23      VAL   4   4.241   3.205   4.048
   37    H    LYS   5           H        LYS   5   6.304   7.468   5.799
   38    HA   LYS   5           HA       LYS   5   8.922   6.956   7.142
   39   1HB   LYS   5          HB2       LYS   5   8.914   8.471   4.988
   40   2HB   LYS   5          HB3       LYS   5   8.137   9.657   6.046
   41   1HG   LYS   5          HG2       LYS   5  10.784   8.291   6.671
   42   2HG   LYS   5          HG3       LYS   5  10.677   9.772   5.731
   43   1HD   LYS   5          HD2       LYS   5  10.497  11.062   7.540
   44   2HD   LYS   5          HD3       LYS   5   9.140  10.134   8.179
   45   1HE   LYS   5          HE2       LYS   5  10.769   8.404   9.000
   46   2HE   LYS   5          HE3       LYS   5  12.097   9.469   8.475
   47   1HZ   LYS   5          HZ1       LYS   5  10.186   9.914  10.659
   48   2HZ   LYS   5          HZ2       LYS   5  11.806  10.039  10.715
   49   3HZ   LYS   5          HZ3       LYS   5  10.959  11.204   9.964
   50    H    ALA   6           H        ALA   6   8.719   7.407   9.245
   51    HA   ALA   6           HA       ALA   6   6.250   8.725  10.288
   52   1HB   ALA   6          HB1       ALA   6   7.174   5.909  11.026
   53   2HB   ALA   6          HB2       ALA   6   5.772   6.761  11.702
   54   3HB   ALA   6          HB3       ALA   6   5.772   6.292   9.995
   55    H    THR   7           H        THR   7   6.335   8.650  12.786
   56    HA   THR   7           HA       THR   7   9.020   8.691  13.934
   57    HB   THR   7           HB       THR   7   8.383  10.762  15.250
   58    HG1  THR   7           HG1      THR   7   6.485  11.023  13.152
   59   1HG2  THR   7          HG21      THR   7   9.126  12.378  13.606
   60   2HG2  THR   7          HG22      THR   7  10.040  10.875  13.403
   61   3HG2  THR   7          HG23      THR   7   8.730  11.278  12.268
   62    H    ASP   8           H        ASP   8   8.693   8.805  16.404
   63    HA   ASP   8           HA       ASP   8   7.146   6.764  17.384
   64   1HB   ASP   8          HB2       ASP   8   8.999   8.067  18.547
   65   2HB   ASP   8          HB3       ASP   8   7.811   9.310  18.909
   66    H    GLN   9           H        GLN   9   6.107  10.019  16.703
   67    HA   GLN   9           HA       GLN   9   3.767  10.292  18.227
   68   1HB   GLN   9          HB2       GLN   9   4.361  11.336  15.424
   69   2HB   GLN   9          HB3       GLN   9   3.152  11.981  16.532
   70   1HG   GLN   9          HG2       GLN   9   4.920  12.672  18.111
   71   2HG   GLN   9          HG3       GLN   9   6.164  12.002  17.048
   72   1HE2  GLN   9          HE21      GLN   9   6.212  12.876  14.738
   73   2HE2  GLN   9          HE22      GLN   9   5.897  14.592  14.543
   74    H    SER  10           H        SER  10   4.319   8.484  15.235
   75    HA   SER  10           HA       SER  10   1.431   7.717  15.120
   76   1HB   SER  10          HB2       SER  10   3.132   8.567  12.746
   77   2HB   SER  10          HB3       SER  10   1.409   8.157  12.740
   78    HG   SER  10           HG       SER  10   1.765  10.420  12.756
   79    H    PHE  11           H        PHE  11   4.667   6.612  15.103
   80    HA   PHE  11           HA       PHE  11   4.783   4.578  13.283
   81   1HB   PHE  11          HB2       PHE  11   6.596   5.310  14.794
   82   2HB   PHE  11          HB3       PHE  11   5.779   4.574  16.165
   83    HD1  PHE  11           HD1      PHE  11   5.791   2.116  16.468
   84    HD2  PHE  11           HD2      PHE  11   7.676   3.960  13.051
   85    HE1  PHE  11           HE1      PHE  11   6.986  -0.002  15.972
   86    HE2  PHE  11           HE2      PHE  11   8.912   1.875  12.606
   87    HZ   PHE  11           HZ       PHE  11   8.589  -0.117  14.087
   88    H    SER  12           H        SER  12   3.262   4.327  16.559
   89    HA   SER  12           HA       SER  12   2.649   1.602  16.389
   90   1HB   SER  12          HB2       SER  12   1.035   3.706  17.873
   91   2HB   SER  12          HB3       SER  12   1.251   2.000  18.304
   92    HG   SER  12           HG       SER  12   2.598   3.399  19.534
   93    H    ALA  13           H        ALA  13   0.811   4.411  15.195
   94    HA   ALA  13           HA       ALA  13  -1.547   2.891  14.543
   95   1HB   ALA  13          HB1       ALA  13  -2.207   4.892  13.269
   96   2HB   ALA  13          HB2       ALA  13  -1.638   5.341  14.889
   97   3HB   ALA  13          HB3       ALA  13  -0.587   5.584  13.471
   98    H    GLU  14           H        GLU  14   1.346   4.008  12.775
   99    HA   GLU  14           HA       GLU  14   0.531   3.040  10.238
  100   1HB   GLU  14          HB2       GLU  14   3.296   3.604  11.394
  101   2HB   GLU  14          HB3       GLU  14   3.062   3.066   9.738
  102   1HG   GLU  14          HG2       GLU  14   1.974   5.629  10.954
  103   2HG   GLU  14          HG3       GLU  14   3.312   5.481   9.811
  104    H    THR  15           H        THR  15   2.261   1.395  12.899
  105    HA   THR  15           HA       THR  15   2.705  -0.964  11.312
  106    HB   THR  15           HB       THR  15   3.607  -1.827  13.505
  107    HG1  THR  15           HG1      THR  15   3.427   0.883  14.290
  108   1HG2  THR  15          HG21      THR  15   5.617  -0.359  13.411
  109   2HG2  THR  15          HG22      THR  15   5.097  -0.910  11.815
  110   3HG2  THR  15          HG23      THR  15   4.752   0.752  12.336
  111    H    SER  16           H        SER  16  -0.151   0.092  12.527
  112    HA   SER  16           HA       SER  16  -1.010  -2.587  13.442
  113   1HB   SER  16          HB2       SER  16  -2.235   0.157  13.909
  114   2HB   SER  16          HB3       SER  16  -2.908  -1.381  14.482
  115    HG   SER  16           HG       SER  16  -0.545  -0.059  15.266
  116    H    GLU  17           H        GLU  17  -0.585  -2.023  10.655
  117    HA   GLU  17           HA       GLU  17  -3.340  -2.488   9.636
  118   1HB   GLU  17          HB2       GLU  17  -1.290  -0.613   8.402
  119   2HB   GLU  17          HB3       GLU  17  -2.791  -1.152   7.625
  120   1HG   GLU  17          HG2       GLU  17  -4.055  -0.200   9.616
  121   2HG   GLU  17          HG3       GLU  17  -2.540   0.563  10.121
  122    H    GLY  18           H        GLY  18  -2.131  -4.651  10.254
  123   1HA   GLY  18          HA2       GLY  18  -1.942  -6.697   9.105
  124   2HA   GLY  18          HA3       GLY  18  -1.413  -5.847   7.647
  125    H    VAL  19           H        VAL  19   0.439  -7.195   7.453
  126    HA   VAL  19           HA       VAL  19   2.516  -7.074   9.528
  127    HB   VAL  19           HB       VAL  19   2.568  -8.186   6.694
  128   1HG1  VAL  19          HG11      VAL  19   4.805  -9.131   7.404
  129   2HG1  VAL  19          HG12      VAL  19   4.833  -7.380   7.228
  130   3HG1  VAL  19          HG13      VAL  19   4.731  -8.074   8.842
  131   1HG2  VAL  19          HG21      VAL  19   1.282  -9.542   8.341
  132   2HG2  VAL  19          HG22      VAL  19   2.793 -10.352   7.901
  133   3HG2  VAL  19          HG23      VAL  19   2.658  -9.498   9.460
  134    H    VAL  20           H        VAL  20   4.152  -5.639   9.557
  135    HA   VAL  20           HA       VAL  20   4.482  -3.676   7.377
  136    HB   VAL  20           HB       VAL  20   4.126  -3.018  10.340
  137   1HG1  VAL  20          HG11      VAL  20   5.684  -1.445   9.291
  138   2HG1  VAL  20          HG12      VAL  20   4.596  -1.236   7.905
  139   3HG1  VAL  20          HG13      VAL  20   4.133  -0.635   9.508
  140   1HG2  VAL  20          HG21      VAL  20   2.233  -2.666   7.968
  141   2HG2  VAL  20          HG22      VAL  20   1.916  -3.465   9.518
  142   3HG2  VAL  20          HG23      VAL  20   2.060  -1.718   9.439
  143    H    LEU  21           H        LEU  21   6.688  -2.995   7.259
  144    HA   LEU  21           HA       LEU  21   8.592  -4.453   9.051
  145   1HB   LEU  21          HB2       LEU  21   8.211  -5.434   6.784
  146   2HB   LEU  21          HB3       LEU  21   8.896  -3.966   6.072
  147    HG   LEU  21           HG       LEU  21  10.273  -5.939   7.948
  148   1HD1  LEU  21          HD11      LEU  21  11.585  -6.578   5.974
  149   2HD1  LEU  21          HD12      LEU  21   9.859  -6.807   5.672
  150   3HD1  LEU  21          HD13      LEU  21  10.698  -5.397   4.984
  151   1HD2  LEU  21          HD21      LEU  21  11.380  -3.420   6.653
  152   2HD2  LEU  21          HD22      LEU  21  11.371  -3.869   8.382
  153   3HD2  LEU  21          HD23      LEU  21  12.397  -4.745   7.255
  154    H    ALA  22           H        ALA  22   9.298  -2.898  10.359
  155    HA   ALA  22           HA       ALA  22   9.482  -0.111   9.486
  156   1HB   ALA  22          HB1       ALA  22  10.182   0.218  11.869
  157   2HB   ALA  22          HB2       ALA  22   8.576  -0.540  11.699
  158   3HB   ALA  22          HB3       ALA  22   9.999  -1.524  12.128
  159    H    ASP  23           H        ASP  23  11.421   0.973   9.347
  160    HA   ASP  23           HA       ASP  23  13.958  -0.593   9.312
  161   1HB   ASP  23          HB2       ASP  23  13.339  -0.364   7.027
  162   2HB   ASP  23          HB3       ASP  23  12.799   1.298   7.254
  163    H    PHE  24           H        PHE  24  14.740   0.097  11.178
  164    HA   PHE  24           HA       PHE  24  14.724   2.904  12.025
  165   1HB   PHE  24          HB2       PHE  24  15.880   0.347  13.190
  166   2HB   PHE  24          HB3       PHE  24  16.229   1.945  13.835
  167    HD1  PHE  24           HD1      PHE  24  14.657   3.133  15.193
  168    HD2  PHE  24           HD2      PHE  24  13.419  -0.437  13.118
  169    HE1  PHE  24           HE1      PHE  24  12.480   3.225  16.342
  170    HE2  PHE  24           HE2      PHE  24  11.230  -0.349  14.290
  171    HZ   PHE  24           HZ       PHE  24  10.736   1.513  15.858
  172    H    TRP  25           H        TRP  25  16.043   4.247  11.049
  173    HA   TRP  25           HA       TRP  25  18.762   3.494  10.340
  174   1HB   TRP  25          HB2       TRP  25  18.465   3.309   8.144
  175   2HB   TRP  25          HB3       TRP  25  16.757   3.234   8.418
  176    HD1  TRP  25           HD1      TRP  25  19.332   5.200   6.643
  177    HE1  TRP  25           HE1      TRP  25  18.275   7.216   5.465
  178    HE3  TRP  25           HE3      TRP  25  14.860   5.325   9.088
  179    HZ2  TRP  25           HZ2      TRP  25  15.927   8.872   5.767
  180    HZ3  TRP  25           HZ3      TRP  25  13.279   7.221   8.729
  181    HH2  TRP  25           HH2      TRP  25  13.803   8.985   7.054
  182    H    ALA  26           H        ALA  26  19.512   5.839   9.026
  183    HA   ALA  26           HA       ALA  26  18.186   8.161   9.942
  184   1HB   ALA  26          HB1       ALA  26  20.137   9.161  11.167
  185   2HB   ALA  26          HB2       ALA  26  19.411   7.815  12.051
  186   3HB   ALA  26          HB3       ALA  26  20.923   7.559  11.150
  187    HA   PRO  27           HA       PRO  27  20.163   9.012   6.085
  188   1HB   PRO  27          HB2       PRO  27  20.427  11.903   6.842
  189   2HB   PRO  27          HB3       PRO  27  19.727  11.153   5.364
  190   1HG   PRO  27          HG2       PRO  27  18.119  12.122   7.362
  191   2HG   PRO  27          HG3       PRO  27  17.717  10.601   6.505
  192   1HD   PRO  27          HD2       PRO  27  19.015  10.937   9.216
  193   2HD   PRO  27          HD3       PRO  27  17.736   9.799   8.691
  194    H    TRP  28           H        TRP  28  21.967   9.887   8.986
  195    HA   TRP  28           HA       TRP  28  24.408  10.504   7.573
  196   1HB   TRP  28          HB2       TRP  28  25.518  10.311   9.685
  197   2HB   TRP  28          HB3       TRP  28  24.036  11.216   9.895
  198    HD1  TRP  28           HD1      TRP  28  22.288  10.286  11.577
  199    HE1  TRP  28           HE1      TRP  28  22.269   8.433  13.327
  200    HE3  TRP  28           HE3      TRP  28  26.487   7.748  10.101
  201    HZ2  TRP  28           HZ2      TRP  28  23.796   6.044  13.928
  202    HZ3  TRP  28           HZ3      TRP  28  27.156   5.665  11.258
  203    HH2  TRP  28           HH2      TRP  28  25.818   4.797  13.165
  204    H    CYS  29           H        CYS  29  22.694   7.567   8.176
  205    HA   CYS  29           HA       CYS  29  24.726   5.717   8.657
  206   1HB   CYS  29          HB2       CYS  29  22.198   5.465   8.873
  207   2HB   CYS  29          HB3       CYS  29  22.134   5.335   7.145
  208    H    GLY  30           H        GLY  30  25.884   4.293   7.306
  209   1HA   GLY  30          HA2       GLY  30  26.102   5.002   4.416
  210   2HA   GLY  30          HA3       GLY  30  27.285   4.103   5.369
  211    HA   PRO  31           HA       PRO  31  25.627   0.187   4.316
  212   1HB   PRO  31          HB2       PRO  31  24.611  -0.300   7.124
  213   2HB   PRO  31          HB3       PRO  31  25.531  -1.406   6.061
  214   1HG   PRO  31          HG2       PRO  31  26.810  -0.037   8.008
  215   2HG   PRO  31          HG3       PRO  31  27.540  -0.139   6.371
  216   1HD   PRO  31          HD2       PRO  31  25.986   2.142   7.600
  217   2HD   PRO  31          HD3       PRO  31  27.480   2.190   6.615
  218    H    CYS  32           H        CYS  32  23.259   2.055   6.246
  219    HA   CYS  32           HA       CYS  32  20.895   0.740   5.497
  220   1HB   CYS  32          HB2       CYS  32  21.199   3.738   5.806
  221   2HB   CYS  32          HB3       CYS  32  19.746   2.781   6.005
  222    H    LYS  33           H        LYS  33  22.897   3.053   3.642
  223    HA   LYS  33           HA       LYS  33  20.916   3.613   1.644
  224   1HB   LYS  33          HB2       LYS  33  23.940   3.806   1.382
  225   2HB   LYS  33          HB3       LYS  33  22.742   4.664   0.423
  226   1HG   LYS  33          HG2       LYS  33  23.215   5.078   3.413
  227   2HG   LYS  33          HG3       LYS  33  23.897   6.063   2.128
  228   1HD   LYS  33          HD2       LYS  33  21.727   6.906   1.485
  229   2HD   LYS  33          HD3       LYS  33  20.890   5.747   2.521
  230   1HE   LYS  33          HE2       LYS  33  20.958   8.069   3.480
  231   2HE   LYS  33          HE3       LYS  33  21.625   6.816   4.533
  232   1HZ   LYS  33          HZ1       LYS  33  22.953   8.870   4.406
  233   2HZ   LYS  33          HZ2       LYS  33  23.794   7.523   4.069
  234   3HZ   LYS  33          HZ3       LYS  33  23.332   8.546   2.840
  235    H    MET  34           H        MET  34  23.163   0.931   2.159
  236    HA   MET  34           HA       MET  34  23.136  -0.006  -0.557
  237   1HB   MET  34          HB2       MET  34  23.612  -1.639   1.958
  238   2HB   MET  34          HB3       MET  34  24.089  -2.049   0.312
  239   1HG   MET  34          HG2       MET  34  25.592  -0.019   0.320
  240   2HG   MET  34          HG3       MET  34  25.207   0.198   2.025
  241   1HE   MET  34          HE1       MET  34  25.179  -3.322   2.604
  242   2HE   MET  34          HE2       MET  34  26.699  -3.233   3.515
  243   3HE   MET  34          HE3       MET  34  25.449  -1.988   3.742
  244    H    ILE  35           H        ILE  35  21.222  -0.723   2.395
  245    HA   ILE  35           HA       ILE  35  19.708  -2.742   0.981
  246    HB   ILE  35           HB       ILE  35  20.409  -3.047   3.303
  247   1HG1  ILE  35          HG12      ILE  35  17.396  -3.153   2.935
  248   2HG1  ILE  35          HG13      ILE  35  18.556  -4.324   2.304
  249   1HG2  ILE  35          HG21      ILE  35  20.122  -0.785   4.152
  250   2HG2  ILE  35          HG22      ILE  35  18.349  -0.926   4.012
  251   3HG2  ILE  35          HG23      ILE  35  19.263  -1.932   5.161
  252   1HD1  ILE  35          HD11      ILE  35  19.260  -4.807   4.673
  253   2HD1  ILE  35          HD12      ILE  35  17.931  -3.762   5.227
  254   3HD1  ILE  35          HD13      ILE  35  17.584  -5.226   4.296
  255    H    ALA  36           H        ALA  36  19.247   0.703   1.632
  256    HA   ALA  36           HA       ALA  36  16.535   0.969   1.477
  257   1HB   ALA  36          HB1       ALA  36  16.926   3.190   0.465
  258   2HB   ALA  36          HB2       ALA  36  18.027   2.847   1.813
  259   3HB   ALA  36          HB3       ALA  36  18.615   2.745   0.142
  260    HA   PRO  37           HA       PRO  37  16.185   0.679  -3.261
  261   1HB   PRO  37          HB2       PRO  37  18.120  -0.604  -4.754
  262   2HB   PRO  37          HB3       PRO  37  18.067   1.162  -4.475
  263   1HG   PRO  37          HG2       PRO  37  19.673  -0.917  -2.961
  264   2HG   PRO  37          HG3       PRO  37  20.236   0.654  -3.621
  265   1HD   PRO  37          HD2       PRO  37  19.565   0.406  -1.025
  266   2HD   PRO  37          HD3       PRO  37  19.108   1.871  -1.933
  267    H    VAL  38           H        VAL  38  17.768  -1.903  -1.407
  268    HA   VAL  38           HA       VAL  38  16.441  -4.060  -2.755
  269    HB   VAL  38           HB       VAL  38  17.531  -4.065   0.089
  270   1HG1  VAL  38          HG11      VAL  38  17.130  -6.276  -1.955
  271   2HG1  VAL  38          HG12      VAL  38  17.833  -6.469  -0.326
  272   3HG1  VAL  38          HG13      VAL  38  16.135  -6.010  -0.504
  273   1HG2  VAL  38          HG21      VAL  38  19.349  -3.311  -1.407
  274   2HG2  VAL  38          HG22      VAL  38  19.625  -4.974  -0.896
  275   3HG2  VAL  38          HG23      VAL  38  19.000  -4.643  -2.525
  276    H    LEU  39           H        LEU  39  15.674  -1.990   0.123
  277    HA   LEU  39           HA       LEU  39  13.184  -3.280   0.650
  278   1HB   LEU  39          HB2       LEU  39  14.096  -0.446   1.269
  279   2HB   LEU  39          HB3       LEU  39  12.594  -1.155   1.845
  280    HG   LEU  39           HG       LEU  39  15.384  -2.162   2.497
  281   1HD1  LEU  39          HD11      LEU  39  14.826  -0.019   3.578
  282   2HD1  LEU  39          HD12      LEU  39  13.334  -0.725   4.234
  283   3HD1  LEU  39          HD13      LEU  39  14.919  -1.330   4.763
  284   1HD2  LEU  39          HD21      LEU  39  12.674  -3.142   3.506
  285   2HD2  LEU  39          HD22      LEU  39  13.820  -4.064   2.511
  286   3HD2  LEU  39          HD23      LEU  39  14.250  -3.629   4.165
  287    H    GLU  40           H        GLU  40  14.032  -0.575  -1.572
  288    HA   GLU  40           HA       GLU  40  11.340  -0.120  -2.385
  289   1HB   GLU  40          HB2       GLU  40  13.935   0.237  -3.921
  290   2HB   GLU  40          HB3       GLU  40  12.349   0.700  -4.540
  291   1HG   GLU  40          HG2       GLU  40  12.008   2.200  -2.601
  292   2HG   GLU  40          HG3       GLU  40  13.604   1.782  -1.984
  293    H    GLU  41           H        GLU  41  13.747  -2.474  -3.636
  294    HA   GLU  41           HA       GLU  41  11.969  -3.574  -5.582
  295   1HB   GLU  41          HB2       GLU  41  14.427  -4.691  -4.195
  296   2HB   GLU  41          HB3       GLU  41  13.503  -5.603  -5.399
  297   1HG   GLU  41          HG2       GLU  41  13.838  -3.793  -7.054
  298   2HG   GLU  41          HG3       GLU  41  14.811  -2.896  -5.894
  299    H    LEU  42           H        LEU  42  12.506  -4.338  -2.151
  300    HA   LEU  42           HA       LEU  42  10.814  -6.613  -2.046
  301   1HB   LEU  42          HB2       LEU  42  12.433  -5.984  -0.238
  302   2HB   LEU  42          HB3       LEU  42  11.463  -4.565   0.135
  303    HG   LEU  42           HG       LEU  42   9.553  -6.008   0.793
  304   1HD1  LEU  42          HD11      LEU  42   9.909  -8.416   1.141
  305   2HD1  LEU  42          HD12      LEU  42  10.051  -8.026  -0.580
  306   3HD1  LEU  42          HD13      LEU  42  11.516  -8.311   0.391
  307   1HD2  LEU  42          HD21      LEU  42  12.185  -6.629   2.193
  308   2HD2  LEU  42          HD22      LEU  42  11.149  -5.214   2.474
  309   3HD2  LEU  42          HD23      LEU  42  10.560  -6.833   2.886
  310    H    ASP  43           H        ASP  43  10.134  -3.115  -1.498
  311    HA   ASP  43           HA       ASP  43   7.406  -3.334  -0.874
  312   1HB   ASP  43          HB2       ASP  43   8.820  -1.236  -0.759
  313   2HB   ASP  43          HB3       ASP  43   8.699  -1.123  -2.527
  314    H    GLN  44           H        GLN  44   9.040  -3.114  -4.028
  315    HA   GLN  44           HA       GLN  44   6.604  -3.040  -5.537
  316   1HB   GLN  44          HB2       GLN  44   9.499  -3.550  -6.284
  317   2HB   GLN  44          HB3       GLN  44   8.196  -3.469  -7.480
  318   1HG   GLN  44          HG2       GLN  44   7.641  -1.198  -6.890
  319   2HG   GLN  44          HG3       GLN  44   8.690  -1.215  -5.474
  320   1HE2  GLN  44          HE22      GLN  44  10.991  -1.276  -5.781
  321   2HE2  GLN  44          HE21      GLN  44  11.733  -0.690  -7.270
  322    H    GLU  45           H        GLU  45   8.079  -5.664  -3.915
  323    HA   GLU  45           HA       GLU  45   6.834  -7.699  -5.676
  324   1HB   GLU  45          HB2       GLU  45   9.005  -7.764  -3.550
  325   2HB   GLU  45          HB3       GLU  45   8.205  -9.237  -4.147
  326   1HG   GLU  45          HG2       GLU  45   8.796  -8.653  -6.470
  327   2HG   GLU  45          HG3       GLU  45   9.594  -7.186  -5.909
  328    H    MET  46           H        MET  46   6.754  -6.372  -2.382
  329    HA   MET  46           HA       MET  46   4.611  -8.338  -1.703
  330   1HB   MET  46          HB2       MET  46   6.494  -6.881   0.166
  331   2HB   MET  46          HB3       MET  46   5.396  -8.200   0.564
  332   1HG   MET  46          HG2       MET  46   7.888  -8.318  -1.169
  333   2HG   MET  46          HG3       MET  46   7.686  -9.010   0.431
  334   1HE   MET  46          HE1       MET  46   6.854 -11.475   0.851
  335   2HE   MET  46          HE2       MET  46   5.265 -10.665   0.644
  336   3HE   MET  46          HE3       MET  46   5.610 -12.205  -0.180
  337    H    GLY  47           H        GLY  47   4.922  -5.012  -2.379
  338   1HA   GLY  47          HA2       GLY  47   3.660  -3.724  -0.302
  339   2HA   GLY  47          HA3       GLY  47   3.589  -3.227  -1.998
  340    H    ASP  48           H        ASP  48   2.078  -6.005  -2.339
  341    HA   ASP  48           HA       ASP  48  -0.616  -4.962  -2.158
  342   1HB   ASP  48          HB2       ASP  48   0.055  -6.527  -3.934
  343   2HB   ASP  48          HB3       ASP  48   0.434  -7.758  -2.726
  344    H    LYS  49           H        LYS  49   1.531  -6.799  -0.116
  345    HA   LYS  49           HA       LYS  49  -0.604  -7.357   1.897
  346   1HB   LYS  49          HB2       LYS  49   1.964  -8.899   1.292
  347   2HB   LYS  49          HB3       LYS  49   0.771  -9.336   2.498
  348   1HG   LYS  49          HG2       LYS  49   0.167  -9.305  -0.490
  349   2HG   LYS  49          HG3       LYS  49   0.833 -10.679   0.367
  350   1HD   LYS  49          HD2       LYS  49  -1.455 -11.108   0.170
  351   2HD   LYS  49          HD3       LYS  49  -1.176 -10.717   1.869
  352   1HE   LYS  49          HE2       LYS  49  -2.116  -8.470   1.536
  353   2HE   LYS  49          HE3       LYS  49  -2.224  -8.740  -0.207
  354   1HZ   LYS  49          HZ1       LYS  49  -4.351  -9.058   0.886
  355   2HZ   LYS  49          HZ2       LYS  49  -3.866 -10.465   0.227
  356   3HZ   LYS  49          HZ3       LYS  49  -3.758 -10.234   1.844
  357    H    LEU  50           H        LEU  50   2.462  -5.829   1.253
  358    HA   LEU  50           HA       LEU  50   3.076  -5.640   4.137
  359   1HB   LEU  50          HB2       LEU  50   4.583  -6.875   2.510
  360   2HB   LEU  50          HB3       LEU  50   4.848  -5.347   1.673
  361    HG   LEU  50           HG       LEU  50   5.966  -4.423   3.683
  362   1HD1  LEU  50          HD11      LEU  50   5.378  -7.181   4.846
  363   2HD1  LEU  50          HD12      LEU  50   6.533  -6.033   5.543
  364   3HD1  LEU  50          HD13      LEU  50   4.826  -5.613   5.482
  365   1HD2  LEU  50          HD21      LEU  50   7.975  -5.838   3.606
  366   2HD2  LEU  50          HD22      LEU  50   7.050  -7.122   2.794
  367   3HD2  LEU  50          HD23      LEU  50   7.309  -5.554   1.994
  368    H    LYS  51           H        LYS  51   4.128  -3.698   4.884
  369    HA   LYS  51           HA       LYS  51   4.002  -1.248   3.249
  370   1HB   LYS  51          HB2       LYS  51   1.984  -1.192   4.761
  371   2HB   LYS  51          HB3       LYS  51   3.034  -1.523   6.140
  372   1HG   LYS  51          HG2       LYS  51   4.281   0.668   5.519
  373   2HG   LYS  51          HG3       LYS  51   2.929   1.004   4.444
  374   1HD   LYS  51          HD2       LYS  51   2.762   0.518   7.455
  375   2HD   LYS  51          HD3       LYS  51   2.812   2.101   6.681
  376   1HE   LYS  51          HE2       LYS  51   0.684   1.589   5.487
  377   2HE   LYS  51          HE3       LYS  51   0.607   0.021   6.319
  378   1HZ   LYS  51          HZ1       LYS  51   0.637   2.668   7.654
  379   2HZ   LYS  51          HZ2       LYS  51  -0.702   1.736   7.461
  380   3HZ   LYS  51          HZ3       LYS  51   0.537   1.214   8.417
  381    H    ILE  52           H        ILE  52   5.883   0.050   3.810
  382    HA   ILE  52           HA       ILE  52   7.758  -1.247   5.732
  383    HB   ILE  52           HB       ILE  52   8.421   0.102   3.101
  384   1HG1  ILE  52          HG12      ILE  52   8.716  -2.791   4.023
  385   2HG1  ILE  52          HG13      ILE  52   7.594  -2.188   2.807
  386   1HG2  ILE  52          HG21      ILE  52  10.098   0.673   4.854
  387   2HG2  ILE  52          HG22      ILE  52  10.352  -1.061   5.154
  388   3HG2  ILE  52          HG23      ILE  52  10.781  -0.333   3.592
  389   1HD1  ILE  52          HD11      ILE  52  10.600  -2.401   2.553
  390   2HD1  ILE  52          HD12      ILE  52   9.350  -3.229   1.617
  391   3HD1  ILE  52          HD13      ILE  52   9.588  -1.484   1.413
  392    H    VAL  53           H        VAL  53   8.685   0.247   7.230
  393    HA   VAL  53           HA       VAL  53   7.612   3.045   7.082
  394    HB   VAL  53           HB       VAL  53   7.381   1.077   9.394
  395   1HG1  VAL  53          HG11      VAL  53   6.291   2.939  10.642
  396   2HG1  VAL  53          HG12      VAL  53   7.991   3.283  10.332
  397   3HG1  VAL  53          HG13      VAL  53   6.739   4.065   9.339
  398   1HG2  VAL  53          HG21      VAL  53   4.975   1.551   9.208
  399   2HG2  VAL  53          HG22      VAL  53   5.271   2.640   7.841
  400   3HG2  VAL  53          HG23      VAL  53   5.595   0.906   7.683
  401    H    LYS  54           H        LYS  54   9.508   4.072   6.633
  402    HA   LYS  54           HA       LYS  54  11.992   3.327   8.010
  403   1HB   LYS  54          HB2       LYS  54  11.361   5.703   6.201
  404   2HB   LYS  54          HB3       LYS  54  12.964   5.207   6.770
  405   1HG   LYS  54          HG2       LYS  54  12.703   3.020   5.601
  406   2HG   LYS  54          HG3       LYS  54  11.125   3.520   5.011
  407   1HD   LYS  54          HD2       LYS  54  12.779   3.790   3.257
  408   2HD   LYS  54          HD3       LYS  54  12.103   5.342   3.733
  409   1HE   LYS  54          HE2       LYS  54  14.438   5.639   3.388
  410   2HE   LYS  54          HE3       LYS  54  14.127   5.798   5.118
  411   1HZ   LYS  54          HZ1       LYS  54  15.292   3.436   3.759
  412   2HZ   LYS  54          HZ2       LYS  54  16.078   4.467   4.752
  413   3HZ   LYS  54          HZ3       LYS  54  14.946   3.453   5.356
  414    H    ILE  55           H        ILE  55  12.732   4.232   9.897
  415    HA   ILE  55           HA       ILE  55  11.515   6.733  10.872
  416    HB   ILE  55           HB       ILE  55  10.084   5.075  11.807
  417   1HG1  ILE  55          HG12      ILE  55  11.992   5.957  14.004
  418   2HG1  ILE  55          HG13      ILE  55  10.892   7.051  13.156
  419   1HG2  ILE  55          HG21      ILE  55  10.856   3.254  13.301
  420   2HG2  ILE  55          HG22      ILE  55  11.462   3.046  11.660
  421   3HG2  ILE  55          HG23      ILE  55  12.537   3.664  12.929
  422   1HD1  ILE  55          HD11      ILE  55   9.906   6.369  15.272
  423   2HD1  ILE  55          HD12      ILE  55   8.948   5.746  13.923
  424   3HD1  ILE  55          HD13      ILE  55  10.033   4.662  14.835
  425    H    ASP  56           H        ASP  56  12.945   8.016  11.952
  426    HA   ASP  56           HA       ASP  56  15.710   7.232  11.497
  427   1HB   ASP  56          HB2       ASP  56  16.209   9.578  11.527
  428   2HB   ASP  56          HB3       ASP  56  14.955   9.173  10.354
  429    H    VAL  57           H        VAL  57  16.924   6.526  13.194
  430    HA   VAL  57           HA       VAL  57  16.039   6.694  15.883
  431    HB   VAL  57           HB       VAL  57  18.250   5.831  16.504
  432   1HG1  VAL  57          HG11      VAL  57  18.104   3.717  15.296
  433   2HG1  VAL  57          HG12      VAL  57  16.493   4.320  15.695
  434   3HG1  VAL  57          HG13      VAL  57  17.104   4.463  14.030
  435   1HG2  VAL  57          HG21      VAL  57  19.971   5.317  14.861
  436   2HG2  VAL  57          HG22      VAL  57  19.029   6.073  13.568
  437   3HG2  VAL  57          HG23      VAL  57  19.692   7.062  14.887
  438    H    ASP  58           H        ASP  58  17.670   9.095  14.007
  439    HA   ASP  58           HA       ASP  58  19.043  10.521  16.037
  440   1HB   ASP  58          HB2       ASP  58  19.394  10.814  13.610
  441   2HB   ASP  58          HB3       ASP  58  17.787  11.529  13.460
  442    H    GLU  59           H        GLU  59  15.581  10.387  15.310
  443    HA   GLU  59           HA       GLU  59  15.130  12.384  17.499
  444   1HB   GLU  59          HB2       GLU  59  13.620  12.143  14.871
  445   2HB   GLU  59          HB3       GLU  59  13.102  13.114  16.249
  446   1HG   GLU  59          HG2       GLU  59  15.293  14.366  16.137
  447   2HG   GLU  59          HG3       GLU  59  15.633  13.535  14.620
  448    H    ASN  60           H        ASN  60  14.844   9.179  16.783
  449    HA   ASN  60           HA       ASN  60  12.266   8.880  18.273
  450   1HB   ASN  60          HB2       ASN  60  13.168   7.275  15.857
  451   2HB   ASN  60          HB3       ASN  60  11.718   6.994  16.811
  452   1HD2  ASN  60          HD22      ASN  60  13.128   8.976  14.295
  453   2HD2  ASN  60          HD21      ASN  60  11.721   9.909  13.937
  454    H    GLN  61           H        GLN  61  14.777   8.891  19.539
  455    HA   GLN  61           HA       GLN  61  15.940   6.378  20.002
  456   1HB   GLN  61          HB2       GLN  61  15.486   8.653  21.990
  457   2HB   GLN  61          HB3       GLN  61  16.575   7.286  22.210
  458   1HG   GLN  61          HG2       GLN  61  18.137   8.719  21.434
  459   2HG   GLN  61          HG3       GLN  61  17.570   8.122  19.877
  460   1HE2  GLN  61          HE22      GLN  61  17.188   9.692  18.408
  461   2HE2  GLN  61          HE21      GLN  61  16.875  11.373  18.765
  462    H    GLU  62           H        GLU  62  12.840   7.708  21.266
  463    HA   GLU  62           HA       GLU  62  12.523   5.872  23.373
  464   1HB   GLU  62          HB2       GLU  62  11.441   8.066  23.164
  465   2HB   GLU  62          HB3       GLU  62  10.704   7.602  21.635
  466   1HG   GLU  62          HG2       GLU  62   9.072   7.593  23.342
  467   2HG   GLU  62          HG3       GLU  62   9.328   5.963  22.716
  468    H    THR  63           H        THR  63  11.293   5.823  19.926
  469    HA   THR  63           HA       THR  63   9.956   3.338  20.241
  470    HB   THR  63           HB       THR  63  11.037   4.198  17.618
  471    HG1  THR  63           HG1      THR  63   9.066   5.715  18.981
  472   1HG2  THR  63          HG21      THR  63   9.384   2.372  17.747
  473   2HG2  THR  63          HG22      THR  63   8.200   3.496  18.449
  474   3HG2  THR  63          HG23      THR  63   8.798   3.736  16.788
  475    H    ALA  64           H        ALA  64  13.228   4.268  19.071
  476    HA   ALA  64           HA       ALA  64  14.152   1.682  18.362
  477   1HB   ALA  64          HB1       ALA  64  15.646   4.093  19.523
  478   2HB   ALA  64          HB2       ALA  64  16.422   2.721  18.736
  479   3HB   ALA  64          HB3       ALA  64  15.345   3.776  17.802
  480    H    GLY  65           H        GLY  65  14.299   3.400  21.529
  481   1HA   GLY  65          HA2       GLY  65  15.586   1.358  23.001
  482   2HA   GLY  65          HA3       GLY  65  14.546   2.643  23.649
  483    H    LYS  66           H        LYS  66  12.208   1.736  22.001
  484    HA   LYS  66           HA       LYS  66  10.917   0.059  23.812
  485   1HB   LYS  66          HB2       LYS  66  10.093   1.571  21.724
  486   2HB   LYS  66          HB3       LYS  66  10.191   0.055  20.875
  487   1HG   LYS  66          HG2       LYS  66   7.924   0.476  21.637
  488   2HG   LYS  66          HG3       LYS  66   8.561  -0.976  22.399
  489   1HD   LYS  66          HD2       LYS  66   7.213   0.496  23.918
  490   2HD   LYS  66          HD3       LYS  66   8.834   0.152  24.518
  491   1HE   LYS  66          HE2       LYS  66   9.615   2.371  23.665
  492   2HE   LYS  66          HE3       LYS  66   7.982   2.714  23.084
  493   1HZ   LYS  66          HZ1       LYS  66   7.213   2.713  25.353
  494   2HZ   LYS  66          HZ2       LYS  66   8.676   2.242  25.924
  495   3HZ   LYS  66          HZ3       LYS  66   8.515   3.713  25.237
  496    H    TYR  67           H        TYR  67  12.971  -0.820  21.058
  497    HA   TYR  67           HA       TYR  67  12.573  -3.699  21.766
  498   1HB   TYR  67          HB2       TYR  67  13.502  -2.851  19.053
  499   2HB   TYR  67          HB3       TYR  67  12.632  -4.297  19.535
  500    HD1  TYR  67           HD1      TYR  67  10.120  -3.941  20.302
  501    HD2  TYR  67           HD2      TYR  67  12.415  -0.994  18.140
  502    HE1  TYR  67           HE1      TYR  67   8.033  -2.724  19.738
  503    HE2  TYR  67           HE2      TYR  67  10.379   0.237  17.614
  504    HH   TYR  67           HH       TYR  67   8.041   0.358  17.905
  505    H    GLY  68           H        GLY  68  14.659  -1.432  22.545
  506   1HA   GLY  68          HA2       GLY  68  16.870  -1.349  23.061
  507   2HA   GLY  68          HA3       GLY  68  16.917  -3.110  22.874
  508    H    VAL  69           H        VAL  69  16.066  -0.834  20.234
  509    HA   VAL  69           HA       VAL  69  18.173  -1.837  18.498
  510    HB   VAL  69           HB       VAL  69  16.363   0.600  18.242
  511   1HG1  VAL  69          HG11      VAL  69  16.875   0.428  15.809
  512   2HG1  VAL  69          HG12      VAL  69  18.292   0.838  16.774
  513   3HG1  VAL  69          HG13      VAL  69  18.086  -0.820  16.179
  514   1HG2  VAL  69          HG21      VAL  69  14.967  -1.353  18.334
  515   2HG2  VAL  69          HG22      VAL  69  15.040  -0.810  16.663
  516   3HG2  VAL  69          HG23      VAL  69  15.998  -2.219  17.177
  517    H    MET  70           H        MET  70  20.247  -1.186  18.581
  518    HA   MET  70           HA       MET  70  20.974   1.500  19.653
  519   1HB   MET  70          HB2       MET  70  22.201  -1.194  20.372
  520   2HB   MET  70          HB3       MET  70  22.910   0.372  20.793
  521   1HG   MET  70          HG2       MET  70  20.879   0.962  22.079
  522   2HG   MET  70          HG3       MET  70  20.199  -0.627  21.723
  523   1HE   MET  70          HE1       MET  70  20.923  -0.914  25.531
  524   2HE   MET  70          HE2       MET  70  20.350   0.511  24.637
  525   3HE   MET  70          HE3       MET  70  19.721  -1.105  24.236
  526    H    SER  71           H        SER  71  20.936  -0.307  16.956
  527    HA   SER  71           HA       SER  71  23.316   0.888  15.792
  528   1HB   SER  71          HB2       SER  71  22.680  -2.095  15.556
  529   2HB   SER  71          HB3       SER  71  24.010  -1.240  14.763
  530    HG   SER  71           HG       SER  71  24.684  -2.369  16.641
  531    H    ILE  72           H        ILE  72  23.113   0.718  13.344
  532    HA   ILE  72           HA       ILE  72  20.455   0.047  12.351
  533    HB   ILE  72           HB       ILE  72  20.281   2.143  11.079
  534   1HG1  ILE  72          HG12      ILE  72  22.438   3.286  12.908
  535   2HG1  ILE  72          HG13      ILE  72  22.686   2.861  11.213
  536   1HG2  ILE  72          HG21      ILE  72  19.253   3.432  12.830
  537   2HG2  ILE  72          HG22      ILE  72  19.055   1.729  13.238
  538   3HG2  ILE  72          HG23      ILE  72  20.289   2.697  14.068
  539   1HD1  ILE  72          HD11      ILE  72  22.303   5.242  11.364
  540   2HD1  ILE  72          HD12      ILE  72  20.922   4.481  10.553
  541   3HD1  ILE  72          HD13      ILE  72  20.788   5.008  12.244
  542    HA   PRO  73           HA       PRO  73  19.573   0.436   9.956
  543   1HB   PRO  73          HB2       PRO  73  19.114  -1.524   8.104
  544   2HB   PRO  73          HB3       PRO  73  19.774   0.080   7.689
  545   1HG   PRO  73          HG2       PRO  73  21.276  -2.511   8.114
  546   2HG   PRO  73          HG3       PRO  73  21.495  -1.308   6.806
  547   1HD   PRO  73          HD2       PRO  73  23.105  -1.389   9.024
  548   2HD   PRO  73          HD3       PRO  73  22.675   0.152   8.229
  549    H    THR  74           H        THR  74  17.955  -0.540  11.099
  550    HA   THR  74           HA       THR  74  18.242  -3.414  11.829
  551    HB   THR  74           HB       THR  74  17.638  -1.116  13.733
  552    HG1  THR  74           HG1      THR  74  19.628  -1.400  14.223
  553   1HG2  THR  74          HG21      THR  74  17.510  -3.008  15.456
  554   2HG2  THR  74          HG22      THR  74  16.117  -2.852  14.377
  555   3HG2  THR  74          HG23      THR  74  17.318  -4.127  14.093
  556    H    LEU  75           H        LEU  75  16.300  -4.519  11.845
  557    HA   LEU  75           HA       LEU  75  14.045  -3.067  10.561
  558   1HB   LEU  75          HB2       LEU  75  15.119  -5.847   9.978
  559   2HB   LEU  75          HB3       LEU  75  13.699  -5.121   9.240
  560    HG   LEU  75           HG       LEU  75  16.585  -4.177   8.906
  561   1HD1  LEU  75          HD11      LEU  75  14.682  -5.545   6.964
  562   2HD1  LEU  75          HD12      LEU  75  16.324  -4.975   6.599
  563   3HD1  LEU  75          HD13      LEU  75  16.091  -6.280   7.768
  564   1HD2  LEU  75          HD21      LEU  75  14.005  -3.060   7.726
  565   2HD2  LEU  75          HD22      LEU  75  15.210  -2.226   8.727
  566   3HD2  LEU  75          HD23      LEU  75  15.630  -2.710   7.088
  567    H    LEU  76           H        LEU  76  12.089  -3.438  11.504
  568    HA   LEU  76           HA       LEU  76  11.825  -5.687  13.496
  569   1HB   LEU  76          HB2       LEU  76  10.922  -2.777  13.691
  570   2HB   LEU  76          HB3       LEU  76  10.065  -4.057  14.514
  571    HG   LEU  76           HG       LEU  76  11.585  -2.764  15.965
  572   1HD1  LEU  76          HD11      LEU  76  10.916  -5.008  16.617
  573   2HD1  LEU  76          HD12      LEU  76  12.236  -5.734  15.685
  574   3HD1  LEU  76          HD13      LEU  76  12.592  -4.731  17.104
  575   1HD2  LEU  76          HD21      LEU  76  13.911  -4.152  14.607
  576   2HD2  LEU  76          HD22      LEU  76  13.438  -2.476  14.273
  577   3HD2  LEU  76          HD23      LEU  76  13.945  -2.953  15.906
  578    H    VAL  77           H        VAL  77  10.240  -7.036  12.774
  579    HA   VAL  77           HA       VAL  77   8.435  -5.983  10.654
  580    HB   VAL  77           HB       VAL  77   8.668  -8.897  11.285
  581   1HG1  VAL  77          HG11      VAL  77   8.233  -7.326   8.701
  582   2HG1  VAL  77          HG12      VAL  77   8.069  -9.083   8.901
  583   3HG1  VAL  77          HG13      VAL  77   6.952  -7.978   9.737
  584   1HG2  VAL  77          HG21      VAL  77  10.695  -7.425   9.543
  585   2HG2  VAL  77          HG22      VAL  77  11.037  -8.417  10.972
  586   3HG2  VAL  77          HG23      VAL  77  10.420  -9.180   9.505
  587    H    LEU  78           H        LEU  78   6.433  -5.545  11.382
  588    HA   LEU  78           HA       LEU  78   5.611  -6.613  14.032
  589   1HB   LEU  78          HB2       LEU  78   4.937  -3.904  12.789
  590   2HB   LEU  78          HB3       LEU  78   4.199  -4.586  14.228
  591    HG   LEU  78           HG       LEU  78   6.747  -4.760  15.052
  592   1HD1  LEU  78          HD11      LEU  78   6.797  -2.368  13.167
  593   2HD1  LEU  78          HD12      LEU  78   8.025  -2.747  14.388
  594   3HD1  LEU  78          HD13      LEU  78   7.768  -3.835  13.021
  595   1HD2  LEU  78          HD21      LEU  78   6.463  -2.672  16.266
  596   2HD2  LEU  78          HD22      LEU  78   5.171  -2.165  15.162
  597   3HD2  LEU  78          HD23      LEU  78   4.939  -3.565  16.227
  598    H    LYS  79           H        LYS  79   3.388  -7.074  14.217
  599    HA   LYS  79           HA       LYS  79   1.829  -7.310  11.688
  600   1HB   LYS  79          HB2       LYS  79   2.893  -9.485  12.183
  601   2HB   LYS  79          HB3       LYS  79   2.212  -9.465  13.819
  602   1HG   LYS  79          HG2       LYS  79  -0.087  -9.425  12.725
  603   2HG   LYS  79          HG3       LYS  79   0.742  -9.630  11.162
  604   1HD   LYS  79          HD2       LYS  79   1.674 -11.788  11.917
  605   2HD   LYS  79          HD3       LYS  79   1.001 -11.531  13.528
  606   1HE   LYS  79          HE2       LYS  79  -0.443 -13.072  12.453
  607   2HE   LYS  79          HE3       LYS  79  -1.309 -11.538  12.553
  608   1HZ   LYS  79          HZ1       LYS  79  -0.756 -11.179  10.198
  609   2HZ   LYS  79          HZ2       LYS  79   0.056 -12.614  10.148
  610   3HZ   LYS  79          HZ3       LYS  79  -1.554 -12.586  10.388
  611    H    ASP  80           H        ASP  80   0.181  -5.981  12.043
  612    HA   ASP  80           HA       ASP  80  -1.494  -4.846  13.002
  613   1HB   ASP  80          HB2       ASP  80  -2.452  -7.101  12.844
  614   2HB   ASP  80          HB3       ASP  80  -1.939  -7.446  14.498
  615    H    GLY  81           H        GLY  81   0.929  -4.194  14.122
  616   1HA   GLY  81          HA2       GLY  81   1.218  -2.435  15.585
  617   2HA   GLY  81          HA3       GLY  81  -0.035  -3.054  16.653
  618    H    GLU  82           H        GLU  82   1.867  -5.783  16.228
  619    HA   GLU  82           HA       GLU  82   3.794  -4.974  18.347
  620   1HB   GLU  82          HB2       GLU  82   3.267  -6.903  19.588
  621   2HB   GLU  82          HB3       GLU  82   1.738  -6.116  19.164
  622   1HG   GLU  82          HG2       GLU  82   1.357  -7.780  17.380
  623   2HG   GLU  82          HG3       GLU  82   2.877  -8.583  17.788
  624    H    VAL  83           H        VAL  83   5.782  -6.165  18.400
  625    HA   VAL  83           HA       VAL  83   6.848  -6.775  15.808
  626    HB   VAL  83           HB       VAL  83   8.003  -7.395  18.552
  627   1HG1  VAL  83          HG11      VAL  83   9.331  -7.040  15.819
  628   2HG1  VAL  83          HG12      VAL  83  10.184  -7.260  17.362
  629   3HG1  VAL  83          HG13      VAL  83   9.188  -8.563  16.723
  630   1HG2  VAL  83          HG21      VAL  83   7.502  -4.976  18.397
  631   2HG2  VAL  83          HG22      VAL  83   9.235  -5.269  18.311
  632   3HG2  VAL  83          HG23      VAL  83   8.336  -4.894  16.829
  633    H    VAL  84           H        VAL  84   6.943  -8.560  14.727
  634    HA   VAL  84           HA       VAL  84   6.419 -11.159  16.067
  635    HB   VAL  84           HB       VAL  84   4.581 -10.495  14.654
  636   1HG1  VAL  84          HG11      VAL  84   5.541  -9.009  13.041
  637   2HG1  VAL  84          HG12      VAL  84   6.600 -10.283  12.393
  638   3HG1  VAL  84          HG13      VAL  84   4.845 -10.370  12.171
  639   1HG2  VAL  84          HG21      VAL  84   5.163 -12.895  14.801
  640   2HG2  VAL  84          HG22      VAL  84   4.341 -12.453  13.296
  641   3HG2  VAL  84          HG23      VAL  84   6.096 -12.742  13.294
  642    H    GLU  85           H        GLU  85   8.701  -9.267  14.020
  643    HA   GLU  85           HA       GLU  85  10.647 -11.394  14.539
  644   1HB   GLU  85          HB2       GLU  85   9.930 -10.606  11.683
  645   2HB   GLU  85          HB3       GLU  85  11.450 -11.346  12.102
  646   1HG   GLU  85          HG2       GLU  85   8.710 -12.623  12.397
  647   2HG   GLU  85          HG3       GLU  85   9.882 -12.930  11.137
  648    H    THR  86           H        THR  86  12.898 -10.633  13.883
  649    HA   THR  86           HA       THR  86  13.204  -7.710  13.636
  650    HB   THR  86           HB       THR  86  14.627  -9.383  15.746
  651    HG1  THR  86           HG1      THR  86  12.441  -9.136  16.277
  652   1HG2  THR  86          HG21      THR  86  14.527  -6.374  15.263
  653   2HG2  THR  86          HG22      THR  86  15.203  -7.133  16.722
  654   3HG2  THR  86          HG23      THR  86  15.947  -7.433  15.150
  655    H    SER  87           H        SER  87  15.273  -7.190  12.651
  656    HA   SER  87           HA       SER  87  17.294  -9.258  12.274
  657   1HB   SER  87          HB2       SER  87  15.766  -8.026   9.945
  658   2HB   SER  87          HB3       SER  87  17.385  -8.725   9.768
  659    HG   SER  87           HG       SER  87  15.377 -10.188  11.083
  660    H    VAL  88           H        VAL  88  19.357  -8.254  11.545
  661    HA   VAL  88           HA       VAL  88  19.483  -5.305  11.892
  662    HB   VAL  88           HB       VAL  88  21.270  -7.305  13.320
  663   1HG1  VAL  88          HG11      VAL  88  22.428  -5.192  12.873
  664   2HG1  VAL  88          HG12      VAL  88  21.063  -4.270  13.539
  665   3HG1  VAL  88          HG13      VAL  88  22.053  -5.303  14.591
  666   1HG2  VAL  88          HG21      VAL  88  20.215  -6.533  15.436
  667   2HG2  VAL  88          HG22      VAL  88  19.022  -5.619  14.491
  668   3HG2  VAL  88          HG23      VAL  88  19.075  -7.394  14.407
  669    H    GLY  89           H        GLY  89  21.117  -4.346  10.653
  670   1HA   GLY  89          HA2       GLY  89  22.907  -4.166   9.221
  671   2HA   GLY  89          HA3       GLY  89  23.235  -5.894   9.386
  672    H    PHE  90           H        PHE  90  23.625  -5.313   6.957
  673    HA   PHE  90           HA       PHE  90  21.355  -5.133   5.195
  674   1HB   PHE  90          HB2       PHE  90  23.710  -4.566   4.548
  675   2HB   PHE  90          HB3       PHE  90  24.142  -6.266   4.691
  676    HD1  PHE  90           HD1      PHE  90  23.220  -7.950   3.056
  677    HD2  PHE  90           HD2      PHE  90  22.518  -3.716   2.619
  678    HE1  PHE  90           HE1      PHE  90  22.472  -8.314   0.721
  679    HE2  PHE  90           HE2      PHE  90  21.784  -4.086   0.273
  680    HZ   PHE  90           HZ       PHE  90  21.753  -6.384  -0.674
  681    H    LYS  91           H        LYS  91  20.113  -6.695   4.255
  682    HA   LYS  91           HA       LYS  91  20.660  -9.515   4.761
  683   1HB   LYS  91          HB2       LYS  91  19.418  -8.464   6.775
  684   2HB   LYS  91          HB3       LYS  91  18.021  -8.290   5.700
  685   1HG   LYS  91          HG2       LYS  91  17.899 -10.677   5.379
  686   2HG   LYS  91          HG3       LYS  91  19.511 -10.905   6.106
  687   1HD   LYS  91          HD2       LYS  91  18.685 -10.151   8.279
  688   2HD   LYS  91          HD3       LYS  91  17.048  -9.944   7.611
  689   1HE   LYS  91          HE2       LYS  91  16.839 -12.310   7.187
  690   2HE   LYS  91          HE3       LYS  91  18.556 -12.593   7.518
  691   1HZ   LYS  91          HZ1       LYS  91  16.663 -11.616   9.573
  692   2HZ   LYS  91          HZ2       LYS  91  17.065 -13.205   9.379
  693   3HZ   LYS  91          HZ3       LYS  91  18.198 -12.119   9.810
  694    HA   PRO  92           HA       PRO  92  19.104  -9.166   0.680
  695   1HB   PRO  92          HB2       PRO  92  18.525 -11.768  -0.039
  696   2HB   PRO  92          HB3       PRO  92  20.182 -11.107   0.129
  697   1HG   PRO  92          HG2       PRO  92  18.594 -12.699   2.152
  698   2HG   PRO  92          HG3       PRO  92  20.305 -12.917   1.668
  699   1HD   PRO  92          HD2       PRO  92  19.611 -11.565   3.919
  700   2HD   PRO  92          HD3       PRO  92  20.994 -11.033   2.917
  701    H    LYS  93           H        LYS  93  17.311  -9.146  -0.605
  702    HA   LYS  93           HA       LYS  93  14.830  -8.521   0.461
  703   1HB   LYS  93          HB2       LYS  93  15.723  -7.976  -1.787
  704   2HB   LYS  93          HB3       LYS  93  15.577  -9.654  -2.285
  705   1HG   LYS  93          HG2       LYS  93  13.164  -9.539  -2.246
  706   2HG   LYS  93          HG3       LYS  93  13.199  -7.982  -1.395
  707   1HD   LYS  93          HD2       LYS  93  12.740  -7.599  -3.748
  708   2HD   LYS  93          HD3       LYS  93  14.309  -6.927  -3.271
  709   1HE   LYS  93          HE2       LYS  93  14.483  -7.914  -5.476
  710   2HE   LYS  93          HE3       LYS  93  15.481  -8.823  -4.340
  711   1HZ   LYS  93          HZ1       LYS  93  13.780 -10.544  -4.295
  712   2HZ   LYS  93          HZ2       LYS  93  12.766  -9.629  -5.224
  713   3HZ   LYS  93          HZ3       LYS  93  14.161 -10.219  -5.850
  714    H    GLU  94           H        GLU  94  15.830 -11.606  -1.003
  715    HA   GLU  94           HA       GLU  94  13.333 -12.876  -0.821
  716   1HB   GLU  94          HB2       GLU  94  16.052 -14.257  -0.589
  717   2HB   GLU  94          HB3       GLU  94  14.537 -14.988  -1.120
  718   1HG   GLU  94          HG2       GLU  94  16.193 -12.891  -2.576
  719   2HG   GLU  94          HG3       GLU  94  15.957 -14.570  -3.037
  720    H    ALA  95           H        ALA  95  16.003 -12.770   1.583
  721    HA   ALA  95           HA       ALA  95  14.766 -14.564   3.422
  722   1HB   ALA  95          HB1       ALA  95  16.365 -13.650   5.067
  723   2HB   ALA  95          HB2       ALA  95  17.165 -14.055   3.539
  724   3HB   ALA  95          HB3       ALA  95  16.803 -12.354   3.937
  725    H    LEU  96           H        LEU  96  14.695 -11.002   3.082
  726    HA   LEU  96           HA       LEU  96  13.105 -10.539   5.400
  727   1HB   LEU  96          HB2       LEU  96  13.294  -8.920   2.828
  728   2HB   LEU  96          HB3       LEU  96  12.487  -8.379   4.297
  729    HG   LEU  96           HG       LEU  96  15.464  -8.963   4.010
  730   1HD1  LEU  96          HD11      LEU  96  15.703  -6.540   4.343
  731   2HD1  LEU  96          HD12      LEU  96  14.729  -6.890   2.911
  732   3HD1  LEU  96          HD13      LEU  96  13.938  -6.355   4.412
  733   1HD2  LEU  96          HD21      LEU  96  14.809  -9.535   6.289
  734   2HD2  LEU  96          HD22      LEU  96  15.680  -8.012   6.285
  735   3HD2  LEU  96          HD23      LEU  96  13.908  -8.008   6.450
  736    H    GLN  97           H        GLN  97  12.140 -11.168   2.006
  737    HA   GLN  97           HA       GLN  97   9.392 -10.744   2.660
  738   1HB   GLN  97          HB2       GLN  97   9.028 -10.818   0.458
  739   2HB   GLN  97          HB3       GLN  97  10.772 -10.608   0.408
  740   1HG   GLN  97          HG2       GLN  97  11.031 -13.035   0.039
  741   2HG   GLN  97          HG3       GLN  97   9.247 -13.181   0.001
  742   1HE2  GLN  97          HE22      GLN  97  11.583 -10.796  -1.448
  743   2HE2  GLN  97          HE21      GLN  97  10.893 -10.836  -3.055
  744    H    GLU  98           H        GLU  98  11.481 -13.621   2.667
  745    HA   GLU  98           HA       GLU  98   9.403 -15.524   3.003
  746   1HB   GLU  98          HB2       GLU  98  11.573 -16.153   2.186
  747   2HB   GLU  98          HB3       GLU  98  12.388 -15.341   3.519
  748   1HG   GLU  98          HG2       GLU  98  12.542 -17.680   3.792
  749   2HG   GLU  98          HG3       GLU  98  11.639 -16.926   5.100
  750    H    LEU  99           H        LEU  99  11.323 -13.497   5.259
  751    HA   LEU  99           HA       LEU  99  10.248 -14.611   7.680
  752   1HB   LEU  99          HB2       LEU  99  11.323 -11.842   7.035
  753   2HB   LEU  99          HB3       LEU  99  10.699 -12.253   8.624
  754    HG   LEU  99           HG       LEU  99  12.953 -13.788   7.292
  755   1HD1  LEU  99          HD11      LEU  99  14.471 -12.500   8.756
  756   2HD1  LEU  99          HD12      LEU  99  13.621 -11.439   7.628
  757   3HD1  LEU  99          HD13      LEU  99  13.107 -11.517   9.326
  758   1HD2  LEU  99          HD21      LEU  99  13.439 -14.556   9.599
  759   2HD2  LEU  99          HD22      LEU  99  12.010 -13.687  10.192
  760   3HD2  LEU  99          HD23      LEU  99  11.834 -15.065   9.083
  761    H    VAL 100           H        VAL 100   9.193 -11.786   5.700
  762    HA   VAL 100           HA       VAL 100   6.782 -11.263   7.046
  763    HB   VAL 100           HB       VAL 100   7.662 -10.995   4.160
  764   1HG1  VAL 100          HG11      VAL 100   5.257 -11.169   4.001
  765   2HG1  VAL 100          HG12      VAL 100   5.040  -9.959   5.282
  766   3HG1  VAL 100          HG13      VAL 100   5.760  -9.502   3.720
  767   1HG2  VAL 100          HG21      VAL 100   7.178  -8.879   6.289
  768   2HG2  VAL 100          HG22      VAL 100   8.765  -9.550   5.868
  769   3HG2  VAL 100          HG23      VAL 100   7.860  -8.642   4.661
  770    H    ASN 101           H        ASN 101   7.443 -13.668   4.503
  771    HA   ASN 101           HA       ASN 101   4.780 -14.418   4.036
  772   1HB   ASN 101          HB2       ASN 101   6.713 -14.941   2.537
  773   2HB   ASN 101          HB3       ASN 101   7.286 -16.129   3.710
  774   1HD2  ASN 101          HD22      ASN 101   4.966 -15.476   1.184
  775   2HD2  ASN 101          HD21      ASN 101   4.252 -17.068   1.146
  776    H    LYS 102           H        LYS 102   7.096 -15.727   6.467
  777    HA   LYS 102           HA       LYS 102   5.448 -18.027   7.001
  778   1HB   LYS 102          HB2       LYS 102   6.785 -18.369   9.037
  779   2HB   LYS 102          HB3       LYS 102   7.757 -18.197   7.582
  780   1HG   LYS 102          HG2       LYS 102   8.534 -16.086   8.157
  781   2HG   LYS 102          HG3       LYS 102   7.258 -15.789   9.352
  782   1HD   LYS 102          HD2       LYS 102   9.517 -17.806   9.685
  783   2HD   LYS 102          HD3       LYS 102   9.524 -16.144  10.297
  784   1HE   LYS 102          HE2       LYS 102   7.329 -16.714  11.510
  785   2HE   LYS 102          HE3       LYS 102   7.667 -18.410  11.127
  786   1HZ   LYS 102          HZ1       LYS 102   9.381 -16.576  12.714
  787   2HZ   LYS 102          HZ2       LYS 102   8.504 -17.827  13.304
  788   3HZ   LYS 102          HZ3       LYS 102   9.787 -18.132  12.341
  789    H    HIS 103           H        HIS 103   5.041 -14.713   8.046
  790    HA   HIS 103           HA       HIS 103   3.031 -15.653  10.034
  791   1HB   HIS 103          HB2       HIS 103   3.624 -13.744  11.345
  792   2HB   HIS 103          HB3       HIS 103   4.995 -14.834  11.057
  793    HD1  HIS 103           HD1      HIS 103   3.761 -11.426   9.621
  794    HD2  HIS 103           HD2      HIS 103   7.205 -13.662  10.533
  795    HE1  HIS 103           HE1      HIS 103   5.761  -9.877   9.300
  796    H    LEU 104           H        LEU 104   3.392 -13.808   7.202
  797    HA   LEU 104           HA       LEU 104   1.250 -12.028   7.268
  798   1HB   LEU 104          HB2       LEU 104   2.349 -13.857   5.140
  799   2HB   LEU 104          HB3       LEU 104   0.757 -13.174   4.848
  800    HG   LEU 104           HG       LEU 104   3.239 -11.551   5.424
  801   1HD1  LEU 104          HD11      LEU 104   3.099 -10.974   2.988
  802   2HD1  LEU 104          HD12      LEU 104   3.372 -12.704   3.243
  803   3HD1  LEU 104          HD13      LEU 104   1.755 -12.116   2.807
  804   1HD2  LEU 104          HD21      LEU 104   1.883  -9.624   4.619
  805   2HD2  LEU 104          HD22      LEU 104   0.465 -10.687   4.455
  806   3HD2  LEU 104          HD23      LEU 104   1.138 -10.330   6.045
  Start of MODEL    6
    1   1H    MET   1          H1        MET   1  -1.796   1.447   0.421
    2   2H    MET   1          H2        MET   1  -0.594   2.302  -0.293
    3   3H    MET   1          H3        MET   1  -1.006   0.835  -0.883
    4    HA   MET   1           HA       MET   1   0.200   1.358   1.739
    5   1HB   MET   1          HB2       MET   1  -1.380  -0.564   1.745
    6   2HB   MET   1          HB3       MET   1  -0.453  -1.334   0.453
    7   1HG   MET   1          HG2       MET   1   1.520  -1.425   1.917
    8   2HG   MET   1          HG3       MET   1   0.646  -0.586   3.197
    9   1HE   MET   1          HE1       MET   1  -1.727  -3.239   4.677
   10   2HE   MET   1          HE2       MET   1  -0.898  -1.689   4.923
   11   3HE   MET   1          HE3       MET   1  -2.110  -1.857   3.629
   12    H    ALA   2           H        ALA   2   2.401   1.614   1.691
   13    HA   ALA   2           HA       ALA   2   4.085   0.620  -0.463
   14   1HB   ALA   2          HB1       ALA   2   3.574   3.618  -0.145
   15   2HB   ALA   2          HB2       ALA   2   4.724   2.856  -1.268
   16   3HB   ALA   2          HB3       ALA   2   2.992   2.626  -1.502
   17    H    ILE   3           H        ILE   3   6.258   2.365   0.004
   18    HA   ILE   3           HA       ILE   3   7.039   1.873   2.777
   19    HB   ILE   3           HB       ILE   3   8.287   3.549   0.568
   20   1HG1  ILE   3          HG12      ILE   3   9.661   1.052   1.496
   21   2HG1  ILE   3          HG13      ILE   3   8.163   0.774   0.622
   22   1HG2  ILE   3          HG21      ILE   3  10.398   3.427   1.936
   23   2HG2  ILE   3          HG22      ILE   3   9.131   4.391   2.690
   24   3HG2  ILE   3          HG23      ILE   3   9.449   2.744   3.274
   25   1HD1  ILE   3          HD11      ILE   3  10.446   2.495  -0.411
   26   2HD1  ILE   3          HD12      ILE   3  10.112   0.813  -0.862
   27   3HD1  ILE   3          HD13      ILE   3   8.930   2.084  -1.265
   28    H    VAL   4           H        VAL   4   7.109   3.436   4.391
   29    HA   VAL   4           HA       VAL   4   5.843   6.084   3.960
   30    HB   VAL   4           HB       VAL   4   5.198   4.141   6.220
   31   1HG1  VAL   4          HG11      VAL   4   3.183   5.603   6.535
   32   2HG1  VAL   4          HG12      VAL   4   4.693   6.416   6.869
   33   3HG1  VAL   4          HG13      VAL   4   3.849   6.725   5.329
   34   1HG2  VAL   4          HG21      VAL   4   2.946   3.826   5.136
   35   2HG2  VAL   4          HG22      VAL   4   3.587   4.615   3.680
   36   3HG2  VAL   4          HG23      VAL   4   4.274   3.079   4.264
   37    H    LYS   5           H        LYS   5   6.309   7.478   5.901
   38    HA   LYS   5           HA       LYS   5   8.878   6.833   7.283
   39   1HB   LYS   5          HB2       LYS   5   9.005   8.691   5.541
   40   2HB   LYS   5          HB3       LYS   5   7.785   9.554   6.473
   41   1HG   LYS   5          HG2       LYS   5   9.866  10.528   7.023
   42   2HG   LYS   5          HG3       LYS   5   9.345   9.623   8.430
   43   1HD   LYS   5          HD2       LYS   5  11.765   9.377   7.994
   44   2HD   LYS   5          HD3       LYS   5  10.929   7.835   7.946
   45   1HE   LYS   5          HE2       LYS   5  12.556   7.928   6.143
   46   2HE   LYS   5          HE3       LYS   5  10.922   7.853   5.486
   47   1HZ   LYS   5          HZ1       LYS   5  11.058  10.248   5.046
   48   2HZ   LYS   5          HZ2       LYS   5  12.550  10.339   5.704
   49   3HZ   LYS   5          HZ3       LYS   5  12.308   9.494   4.334
   50    H    ALA   6           H        ALA   6   8.752   7.299   9.544
   51    HA   ALA   6           HA       ALA   6   6.179   8.337  10.613
   52   1HB   ALA   6          HB1       ALA   6   7.361   5.612  11.313
   53   2HB   ALA   6          HB2       ALA   6   5.980   6.370  12.125
   54   3HB   ALA   6          HB3       ALA   6   5.844   5.903  10.422
   55    H    THR   7           H        THR   7   6.214   8.860  12.815
   56    HA   THR   7           HA       THR   7   8.847   9.284  14.115
   57    HB   THR   7           HB       THR   7   7.381  10.781  15.581
   58    HG1  THR   7           HG1      THR   7   5.440  11.476  14.672
   59   1HG2  THR   7          HG21      THR   7   7.618  11.590  12.637
   60   2HG2  THR   7          HG22      THR   7   7.433  12.697  14.017
   61   3HG2  THR   7          HG23      THR   7   8.905  11.723  13.857
   62    H    ASP   8           H        ASP   8   8.648   8.940  16.519
   63    HA   ASP   8           HA       ASP   8   7.881   6.504  17.365
   64   1HB   ASP   8          HB2       ASP   8   9.193   8.068  18.729
   65   2HB   ASP   8          HB3       ASP   8   7.794   9.120  18.920
   66    H    GLN   9           H        GLN   9   5.728   9.364  17.393
   67    HA   GLN   9           HA       GLN   9   3.613   7.903  18.703
   68   1HB   GLN   9          HB2       GLN   9   3.739  10.669  17.459
   69   2HB   GLN   9          HB3       GLN   9   2.323  10.039  18.308
   70   1HG   GLN   9          HG2       GLN   9   5.098  10.288  19.568
   71   2HG   GLN   9          HG3       GLN   9   3.813  11.475  19.737
   72   1HE2  GLN   9          HE22      GLN   9   5.111   8.482  21.028
   73   2HE2  GLN   9          HE21      GLN   9   3.791   8.182  22.136
   74    H    SER  10           H        SER  10   4.362   8.796  15.346
   75    HA   SER  10           HA       SER  10   1.793   7.969  14.274
   76   1HB   SER  10          HB2       SER  10   4.466   8.180  12.836
   77   2HB   SER  10          HB3       SER  10   2.850   8.200  12.115
   78    HG   SER  10           HG       SER  10   4.220  10.181  13.570
   79    H    PHE  11           H        PHE  11   4.884   6.380  14.948
   80    HA   PHE  11           HA       PHE  11   4.894   4.275  13.253
   81   1HB   PHE  11          HB2       PHE  11   6.650   4.976  14.910
   82   2HB   PHE  11          HB3       PHE  11   5.736   4.180  16.181
   83    HD1  PHE  11           HD1      PHE  11   7.684   3.724  13.057
   84    HD2  PHE  11           HD2      PHE  11   5.839   1.751  16.423
   85    HE1  PHE  11           HE1      PHE  11   8.931   1.667  12.528
   86    HE2  PHE  11           HE2      PHE  11   7.087  -0.324  15.875
   87    HZ   PHE  11           HZ       PHE  11   8.640  -0.376  13.947
   88    H    SER  12           H        SER  12   3.263   4.193  16.493
   89    HA   SER  12           HA       SER  12   2.472   1.518  16.314
   90   1HB   SER  12          HB2       SER  12   0.999   3.748  17.767
   91   2HB   SER  12          HB3       SER  12   1.034   2.024  18.190
   92    HG   SER  12           HG       SER  12   2.480   3.299  19.458
   93    H    ALA  13           H        ALA  13   0.834   4.430  15.088
   94    HA   ALA  13           HA       ALA  13  -1.597   3.043  14.395
   95   1HB   ALA  13          HB1       ALA  13  -2.122   5.088  13.115
   96   2HB   ALA  13          HB2       ALA  13  -1.558   5.496  14.747
   97   3HB   ALA  13          HB3       ALA  13  -0.469   5.683  13.351
   98    H    GLU  14           H        GLU  14   1.381   3.987  12.672
   99    HA   GLU  14           HA       GLU  14   0.516   3.057  10.135
  100   1HB   GLU  14          HB2       GLU  14   3.308   3.492  11.279
  101   2HB   GLU  14          HB3       GLU  14   3.034   2.991   9.615
  102   1HG   GLU  14          HG2       GLU  14   2.062   5.575  10.887
  103   2HG   GLU  14          HG3       GLU  14   3.385   5.397   9.739
  104    H    THR  15           H        THR  15   2.175   1.354  12.804
  105    HA   THR  15           HA       THR  15   2.544  -1.020  11.235
  106    HB   THR  15           HB       THR  15   3.362  -1.929  13.437
  107    HG1  THR  15           HG1      THR  15   3.224   0.769  14.253
  108   1HG2  THR  15          HG21      THR  15   5.397  -0.437  13.434
  109   2HG2  THR  15          HG22      THR  15   4.947  -1.051  11.840
  110   3HG2  THR  15          HG23      THR  15   4.581   0.627  12.280
  111    H    SER  16           H        SER  16  -0.299   0.154  12.370
  112    HA   SER  16           HA       SER  16  -1.306  -2.457  13.277
  113   1HB   SER  16          HB2       SER  16  -2.506   0.335  13.446
  114   2HB   SER  16          HB3       SER  16  -3.277  -1.144  14.043
  115    HG   SER  16           HG       SER  16  -0.915   0.114  14.977
  116    H    GLU  17           H        GLU  17  -0.647  -1.976  10.476
  117    HA   GLU  17           HA       GLU  17  -3.289  -2.682   9.294
  118   1HB   GLU  17          HB2       GLU  17  -1.353  -0.638   8.149
  119   2HB   GLU  17          HB3       GLU  17  -2.718  -1.353   7.276
  120   1HG   GLU  17          HG2       GLU  17  -4.250  -0.468   9.081
  121   2HG   GLU  17          HG3       GLU  17  -2.868   0.415   9.747
  122    H    GLY  18           H        GLY  18  -2.409  -4.875   9.611
  123   1HA   GLY  18          HA2       GLY  18  -1.922  -6.760   8.355
  124   2HA   GLY  18          HA3       GLY  18  -1.228  -5.745   7.089
  125    H    VAL  19           H        VAL  19   0.568  -7.164   6.954
  126    HA   VAL  19           HA       VAL  19   2.483  -7.319   9.197
  127    HB   VAL  19           HB       VAL  19   2.875  -8.054   6.253
  128   1HG1  VAL  19          HG11      VAL  19   5.026  -7.627   7.371
  129   2HG1  VAL  19          HG12      VAL  19   4.537  -8.614   8.764
  130   3HG1  VAL  19          HG13      VAL  19   4.822  -9.372   7.188
  131   1HG2  VAL  19          HG21      VAL  19   2.669 -10.391   6.956
  132   2HG2  VAL  19          HG22      VAL  19   2.340  -9.895   8.623
  133   3HG2  VAL  19          HG23      VAL  19   1.170  -9.537   7.329
  134    H    VAL  20           H        VAL  20   4.082  -5.818   9.483
  135    HA   VAL  20           HA       VAL  20   4.560  -3.788   7.385
  136    HB   VAL  20           HB       VAL  20   4.138  -3.205  10.350
  137   1HG1  VAL  20          HG11      VAL  20   4.663  -1.399   7.949
  138   2HG1  VAL  20          HG12      VAL  20   4.177  -0.812   9.549
  139   3HG1  VAL  20          HG13      VAL  20   5.724  -1.639   9.347
  140   1HG2  VAL  20          HG21      VAL  20   2.279  -2.882   7.960
  141   2HG2  VAL  20          HG22      VAL  20   1.948  -3.625   9.532
  142   3HG2  VAL  20          HG23      VAL  20   2.097  -1.873   9.387
  143    H    LEU  21           H        LEU  21   6.720  -3.334   7.171
  144    HA   LEU  21           HA       LEU  21   8.600  -4.662   9.091
  145   1HB   LEU  21          HB2       LEU  21   8.343  -5.777   6.876
  146   2HB   LEU  21          HB3       LEU  21   8.984  -4.321   6.095
  147    HG   LEU  21           HG       LEU  21  10.394  -6.138   8.107
  148   1HD1  LEU  21          HD11      LEU  21  10.054  -7.117   5.855
  149   2HD1  LEU  21          HD12      LEU  21  10.886  -5.723   5.131
  150   3HD1  LEU  21          HD13      LEU  21  11.761  -6.835   6.207
  151   1HD2  LEU  21          HD21      LEU  21  11.440  -4.052   8.477
  152   2HD2  LEU  21          HD22      LEU  21  12.471  -4.865   7.314
  153   3HD2  LEU  21          HD23      LEU  21  11.371  -3.601   6.746
  154    H    ALA  22           H        ALA  22   9.659  -3.179  10.196
  155    HA   ALA  22           HA       ALA  22   9.608  -0.366   9.276
  156   1HB   ALA  22          HB1       ALA  22   8.617  -0.707  11.464
  157   2HB   ALA  22          HB2       ALA  22  10.035  -1.644  11.995
  158   3HB   ALA  22          HB3       ALA  22  10.198   0.093  11.669
  159    H    ASP  23           H        ASP  23  11.526   0.794   9.194
  160    HA   ASP  23           HA       ASP  23  14.096  -0.742   9.271
  161   1HB   ASP  23          HB2       ASP  23  13.480  -0.489   6.968
  162   2HB   ASP  23          HB3       ASP  23  13.046   1.207   7.200
  163    H    PHE  24           H        PHE  24  14.765  -0.040  11.194
  164    HA   PHE  24           HA       PHE  24  14.675   2.766  12.049
  165   1HB   PHE  24          HB2       PHE  24  15.863   0.226  13.247
  166   2HB   PHE  24          HB3       PHE  24  16.112   1.827  13.914
  167    HD1  PHE  24           HD1      PHE  24  13.266  -0.434  12.833
  168    HD2  PHE  24           HD2      PHE  24  14.631   2.629  15.552
  169    HE1  PHE  24           HE1      PHE  24  11.069  -0.447  13.972
  170    HE2  PHE  24           HE2      PHE  24  12.434   2.596  16.676
  171    HZ   PHE  24           HZ       PHE  24  10.625   1.094  15.855
  172    H    TRP  25           H        TRP  25  16.022   4.141  11.160
  173    HA   TRP  25           HA       TRP  25  18.729   3.409  10.395
  174   1HB   TRP  25          HB2       TRP  25  18.356   3.142   8.217
  175   2HB   TRP  25          HB3       TRP  25  16.644   3.126   8.520
  176    HD1  TRP  25           HD1      TRP  25  19.227   4.934   6.623
  177    HE1  TRP  25           HE1      TRP  25  18.291   7.033   5.514
  178    HE3  TRP  25           HE3      TRP  25  14.838   5.325   9.192
  179    HZ2  TRP  25           HZ2      TRP  25  16.198   8.949   6.063
  180    HZ3  TRP  25           HZ3      TRP  25  13.459   7.394   8.995
  181    HH2  TRP  25           HH2      TRP  25  14.184   9.236   7.487
  182    H    ALA  26           H        ALA  26  19.497   5.666   9.078
  183    HA   ALA  26           HA       ALA  26  18.177   8.036   9.988
  184   1HB   ALA  26          HB1       ALA  26  20.107   9.072  11.091
  185   2HB   ALA  26          HB2       ALA  26  19.653   7.621  11.983
  186   3HB   ALA  26          HB3       ALA  26  21.070   7.580  10.904
  187    HA   PRO  27           HA       PRO  27  19.931   8.715   5.970
  188   1HB   PRO  27          HB2       PRO  27  20.000  11.437   5.662
  189   2HB   PRO  27          HB3       PRO  27  18.515  10.446   5.617
  190   1HG   PRO  27          HG2       PRO  27  19.643  12.020   7.957
  191   2HG   PRO  27          HG3       PRO  27  17.945  11.954   7.386
  192   1HD   PRO  27          HD2       PRO  27  18.856  10.452   9.490
  193   2HD   PRO  27          HD3       PRO  27  17.599   9.845   8.371
  194    H    TRP  28           H        TRP  28  21.634   9.842   8.784
  195    HA   TRP  28           HA       TRP  28  24.066  10.510   7.411
  196   1HB   TRP  28          HB2       TRP  28  24.142   9.617  10.243
  197   2HB   TRP  28          HB3       TRP  28  24.919  10.990   9.468
  198    HD1  TRP  28           HD1      TRP  28  22.157  10.034  11.618
  199    HE1  TRP  28           HE1      TRP  28  20.366  11.838  11.939
  200    HE3  TRP  28           HE3      TRP  28  23.699  13.281   8.000
  201    HZ2  TRP  28           HZ2      TRP  28  19.720  14.427  10.774
  202    HZ3  TRP  28           HZ3      TRP  28  22.465  15.396   7.596
  203    HH2  TRP  28           HH2      TRP  28  20.478  15.977   8.975
  204    H    CYS  29           H        CYS  29  22.479   7.543   7.984
  205    HA   CYS  29           HA       CYS  29  24.569   5.787   8.697
  206   1HB   CYS  29          HB2       CYS  29  22.058   5.415   8.832
  207   2HB   CYS  29          HB3       CYS  29  22.054   5.243   7.101
  208    H    GLY  30           H        GLY  30  25.721   4.270   7.421
  209   1HA   GLY  30          HA2       GLY  30  26.094   4.881   4.525
  210   2HA   GLY  30          HA3       GLY  30  27.203   3.983   5.564
  211    HA   PRO  31           HA       PRO  31  25.530   0.179   4.390
  212   1HB   PRO  31          HB2       PRO  31  24.684  -1.271   6.615
  213   2HB   PRO  31          HB3       PRO  31  26.381  -1.011   6.117
  214   1HG   PRO  31          HG2       PRO  31  24.791   0.508   8.190
  215   2HG   PRO  31          HG3       PRO  31  26.479  -0.078   8.287
  216   1HD   PRO  31          HD2       PRO  31  25.878   2.495   7.699
  217   2HD   PRO  31          HD3       PRO  31  27.257   1.678   6.905
  218    H    CYS  32           H        CYS  32  23.165   1.935   6.375
  219    HA   CYS  32           HA       CYS  32  20.823   0.550   5.643
  220   1HB   CYS  32          HB2       CYS  32  21.052   3.560   5.877
  221   2HB   CYS  32          HB3       CYS  32  19.641   2.560   6.149
  222    H    LYS  33           H        LYS  33  22.812   2.857   3.763
  223    HA   LYS  33           HA       LYS  33  20.836   3.350   1.745
  224   1HB   LYS  33          HB2       LYS  33  23.856   3.567   1.463
  225   2HB   LYS  33          HB3       LYS  33  22.636   4.412   0.520
  226   1HG   LYS  33          HG2       LYS  33  23.220   4.850   3.486
  227   2HG   LYS  33          HG3       LYS  33  23.763   5.863   2.158
  228   1HD   LYS  33          HD2       LYS  33  21.489   6.569   1.660
  229   2HD   LYS  33          HD3       LYS  33  20.815   5.395   2.794
  230   1HE   LYS  33          HE2       LYS  33  20.820   7.697   3.739
  231   2HE   LYS  33          HE3       LYS  33  21.748   6.539   4.706
  232   1HZ   LYS  33          HZ1       LYS  33  22.807   8.738   4.330
  233   2HZ   LYS  33          HZ2       LYS  33  23.740   7.452   3.985
  234   3HZ   LYS  33          HZ3       LYS  33  23.054   8.341   2.757
  235    H    MET  34           H        MET  34  23.025   0.657   2.346
  236    HA   MET  34           HA       MET  34  23.061  -0.322  -0.356
  237   1HB   MET  34          HB2       MET  34  23.456  -1.870   2.229
  238   2HB   MET  34          HB3       MET  34  23.909  -2.392   0.606
  239   1HG   MET  34          HG2       MET  34  25.486  -0.433   0.487
  240   2HG   MET  34          HG3       MET  34  25.109  -0.080   2.170
  241   1HE   MET  34          HE1       MET  34  25.281  -2.136   4.046
  242   2HE   MET  34          HE2       MET  34  24.947  -3.535   3.007
  243   3HE   MET  34          HE3       MET  34  26.474  -3.448   3.905
  244    H    ILE  35           H        ILE  35  21.043  -0.965   2.552
  245    HA   ILE  35           HA       ILE  35  19.518  -2.945   1.087
  246    HB   ILE  35           HB       ILE  35  20.152  -3.289   3.427
  247   1HG1  ILE  35          HG12      ILE  35  17.166  -3.352   2.882
  248   2HG1  ILE  35          HG13      ILE  35  18.351  -4.556   2.381
  249   1HG2  ILE  35          HG21      ILE  35  18.108  -1.147   4.117
  250   2HG2  ILE  35          HG22      ILE  35  18.985  -2.182   5.265
  251   3HG2  ILE  35          HG23      ILE  35  19.877  -1.023   4.300
  252   1HD1  ILE  35          HD11      ILE  35  18.831  -4.960   4.847
  253   2HD1  ILE  35          HD12      ILE  35  17.456  -3.898   5.214
  254   3HD1  ILE  35          HD13      ILE  35  17.201  -5.396   4.311
  255    H    ALA  36           H        ALA  36  19.119   0.502   1.780
  256    HA   ALA  36           HA       ALA  36  16.425   0.848   1.567
  257   1HB   ALA  36          HB1       ALA  36  18.581   2.575   0.297
  258   2HB   ALA  36          HB2       ALA  36  16.901   3.066   0.590
  259   3HB   ALA  36          HB3       ALA  36  17.961   2.674   1.957
  260    HA   PRO  37           HA       PRO  37  16.151   0.646  -3.181
  261   1HB   PRO  37          HB2       PRO  37  18.065  -0.691  -4.656
  262   2HB   PRO  37          HB3       PRO  37  18.074   1.072  -4.353
  263   1HG   PRO  37          HG2       PRO  37  19.574  -1.085  -2.842
  264   2HG   PRO  37          HG3       PRO  37  20.205   0.473  -3.468
  265   1HD   PRO  37          HD2       PRO  37  19.478   0.209  -0.888
  266   2HD   PRO  37          HD3       PRO  37  19.094   1.705  -1.780
  267    H    VAL  38           H        VAL  38  17.624  -2.022  -1.352
  268    HA   VAL  38           HA       VAL  38  16.228  -4.094  -2.762
  269    HB   VAL  38           HB       VAL  38  17.296  -4.258   0.078
  270   1HG1  VAL  38          HG11      VAL  38  17.623  -6.631  -0.518
  271   2HG1  VAL  38          HG12      VAL  38  15.930  -6.158  -0.652
  272   3HG1  VAL  38          HG13      VAL  38  16.906  -6.333  -2.131
  273   1HG2  VAL  38          HG21      VAL  38  19.406  -5.123  -0.907
  274   2HG2  VAL  38          HG22      VAL  38  18.833  -4.677  -2.528
  275   3HG2  VAL  38          HG23      VAL  38  19.160  -3.427  -1.308
  276    H    LEU  39           H        LEU  39  15.517  -2.065   0.153
  277    HA   LEU  39           HA       LEU  39  13.007  -3.307   0.691
  278   1HB   LEU  39          HB2       LEU  39  14.054  -0.515   1.291
  279   2HB   LEU  39          HB3       LEU  39  12.487  -1.089   1.845
  280    HG   LEU  39           HG       LEU  39  15.080  -2.528   2.488
  281   1HD1  LEU  39          HD11      LEU  39  15.188  -0.261   3.400
  282   2HD1  LEU  39          HD12      LEU  39  13.599  -0.463   4.168
  283   3HD1  LEU  39          HD13      LEU  39  14.987  -1.442   4.702
  284   1HD2  LEU  39          HD21      LEU  39  13.776  -3.592   4.280
  285   2HD2  LEU  39          HD22      LEU  39  12.333  -2.666   3.817
  286   3HD2  LEU  39          HD23      LEU  39  12.996  -3.895   2.723
  287    H    GLU  40           H        GLU  40  13.898  -0.583  -1.497
  288    HA   GLU  40           HA       GLU  40  11.221  -0.124  -2.362
  289   1HB   GLU  40          HB2       GLU  40  13.838   0.245  -3.856
  290   2HB   GLU  40          HB3       GLU  40  12.261   0.722  -4.485
  291   1HG   GLU  40          HG2       GLU  40  11.908   2.195  -2.523
  292   2HG   GLU  40          HG3       GLU  40  13.501   1.764  -1.904
  293    H    GLU  41           H        GLU  41  13.640  -2.492  -3.546
  294    HA   GLU  41           HA       GLU  41  11.919  -3.595  -5.536
  295   1HB   GLU  41          HB2       GLU  41  14.323  -4.721  -4.063
  296   2HB   GLU  41          HB3       GLU  41  13.438  -5.632  -5.294
  297   1HG   GLU  41          HG2       GLU  41  13.855  -3.898  -6.966
  298   2HG   GLU  41          HG3       GLU  41  14.677  -2.889  -5.786
  299    H    LEU  42           H        LEU  42  12.330  -4.354  -2.081
  300    HA   LEU  42           HA       LEU  42  10.575  -6.578  -2.005
  301   1HB   LEU  42          HB2       LEU  42  12.169  -5.899  -0.167
  302   2HB   LEU  42          HB3       LEU  42  11.120  -4.530   0.194
  303    HG   LEU  42           HG       LEU  42   9.241  -6.152   0.674
  304   1HD1  LEU  42          HD11      LEU  42  11.479  -8.211   0.391
  305   2HD1  LEU  42          HD12      LEU  42   9.900  -8.520   1.146
  306   3HD1  LEU  42          HD13      LEU  42   9.988  -8.111  -0.571
  307   1HD2  LEU  42          HD21      LEU  42  10.215  -6.874   2.870
  308   2HD2  LEU  42          HD22      LEU  42  11.800  -6.311   2.293
  309   3HD2  LEU  42          HD23      LEU  42  10.473  -5.165   2.492
  310    H    ASP  43           H        ASP  43   9.960  -3.058  -1.586
  311    HA   ASP  43           HA       ASP  43   7.202  -3.195  -1.037
  312   1HB   ASP  43          HB2       ASP  43   8.641  -1.126  -0.938
  313   2HB   ASP  43          HB3       ASP  43   8.613  -1.074  -2.712
  314    H    GLN  44           H        GLN  44   8.952  -3.079  -4.135
  315    HA   GLN  44           HA       GLN  44   6.580  -3.087  -5.744
  316   1HB   GLN  44          HB2       GLN  44   9.502  -3.633  -6.357
  317   2HB   GLN  44          HB3       GLN  44   8.245  -3.574  -7.601
  318   1HG   GLN  44          HG2       GLN  44   7.708  -1.278  -7.116
  319   2HG   GLN  44          HG3       GLN  44   8.683  -1.264  -5.647
  320   1HE2  GLN  44          HE22      GLN  44  10.986  -1.321  -5.815
  321   2HE2  GLN  44          HE21      GLN  44  11.817  -0.807  -7.285
  322    H    GLU  45           H        GLU  45   7.998  -5.641  -3.963
  323    HA   GLU  45           HA       GLU  45   6.879  -7.761  -5.709
  324   1HB   GLU  45          HB2       GLU  45   8.923  -7.690  -3.461
  325   2HB   GLU  45          HB3       GLU  45   8.244  -9.203  -4.056
  326   1HG   GLU  45          HG2       GLU  45   9.641  -7.187  -5.853
  327   2HG   GLU  45          HG3       GLU  45  10.465  -8.537  -5.075
  328    H    MET  46           H        MET  46   6.550  -6.267  -2.518
  329    HA   MET  46           HA       MET  46   4.396  -8.238  -1.858
  330   1HB   MET  46          HB2       MET  46   6.387  -6.945   0.041
  331   2HB   MET  46          HB3       MET  46   5.171  -8.166   0.419
  332   1HG   MET  46          HG2       MET  46   6.461  -9.575  -1.441
  333   2HG   MET  46          HG3       MET  46   7.773  -8.459  -1.069
  334   1HE   MET  46          HE1       MET  46   5.898 -11.571  -0.277
  335   2HE   MET  46          HE2       MET  46   6.035 -11.844   1.477
  336   3HE   MET  46          HE3       MET  46   4.959 -10.562   0.851
  337    H    GLY  47           H        GLY  47   4.797  -4.946  -2.492
  338   1HA   GLY  47          HA2       GLY  47   3.665  -3.564  -0.434
  339   2HA   GLY  47          HA3       GLY  47   3.482  -3.143  -2.136
  340    H    ASP  48           H        ASP  48   1.910  -5.886  -2.273
  341    HA   ASP  48           HA       ASP  48  -0.749  -4.783  -2.059
  342   1HB   ASP  48          HB2       ASP  48  -0.160  -6.415  -3.790
  343   2HB   ASP  48          HB3       ASP  48   0.266  -7.604  -2.555
  344    H    LYS  49           H        LYS  49   1.362  -6.760  -0.043
  345    HA   LYS  49           HA       LYS  49  -0.733  -7.007   2.074
  346   1HB   LYS  49          HB2       LYS  49   1.575  -8.858   1.277
  347   2HB   LYS  49          HB3       LYS  49   0.582  -9.083   2.712
  348   1HG   LYS  49          HG2       LYS  49  -0.549  -9.018  -0.109
  349   2HG   LYS  49          HG3       LYS  49  -0.056 -10.497   0.724
  350   1HD   LYS  49          HD2       LYS  49  -1.645 -10.042   2.559
  351   2HD   LYS  49          HD3       LYS  49  -2.227  -8.590   1.743
  352   1HE   LYS  49          HE2       LYS  49  -2.302 -11.337   0.437
  353   2HE   LYS  49          HE3       LYS  49  -3.578 -10.781   1.525
  354   1HZ   LYS  49          HZ1       LYS  49  -2.803  -9.343  -0.960
  355   2HZ   LYS  49          HZ2       LYS  49  -4.090 -10.343  -0.804
  356   3HZ   LYS  49          HZ3       LYS  49  -4.030  -8.959   0.052
  357    H    LEU  50           H        LEU  50   2.413  -5.742   1.303
  358    HA   LEU  50           HA       LEU  50   3.127  -5.607   4.175
  359   1HB   LEU  50          HB2       LEU  50   4.589  -6.963   2.703
  360   2HB   LEU  50          HB3       LEU  50   4.801  -5.556   1.646
  361    HG   LEU  50           HG       LEU  50   5.928  -4.332   3.500
  362   1HD1  LEU  50          HD11      LEU  50   5.682  -7.010   4.940
  363   2HD1  LEU  50          HD12      LEU  50   6.699  -5.646   5.456
  364   3HD1  LEU  50          HD13      LEU  50   4.953  -5.471   5.442
  365   1HD2  LEU  50          HD21      LEU  50   7.239  -5.460   1.829
  366   2HD2  LEU  50          HD22      LEU  50   8.016  -5.663   3.407
  367   3HD2  LEU  50          HD23      LEU  50   7.097  -7.009   2.683
  368    H    LYS  51           H        LYS  51   3.712  -3.735   5.045
  369    HA   LYS  51           HA       LYS  51   3.832  -1.243   3.392
  370   1HB   LYS  51          HB2       LYS  51   1.905  -1.250   5.029
  371   2HB   LYS  51          HB3       LYS  51   3.054  -1.546   6.328
  372   1HG   LYS  51          HG2       LYS  51   4.222   0.630   5.678
  373   2HG   LYS  51          HG3       LYS  51   2.888   0.934   4.562
  374   1HD   LYS  51          HD2       LYS  51   2.614   0.511   7.574
  375   2HD   LYS  51          HD3       LYS  51   2.737   2.087   6.788
  376   1HE   LYS  51          HE2       LYS  51   0.668   1.591   5.474
  377   2HE   LYS  51          HE3       LYS  51   0.513   0.045   6.333
  378   1HZ   LYS  51          HZ1       LYS  51   0.348   1.279   8.391
  379   2HZ   LYS  51          HZ2       LYS  51   0.511   2.720   7.608
  380   3HZ   LYS  51          HZ3       LYS  51  -0.832   1.793   7.358
  381    H    ILE  52           H        ILE  52   5.744   0.008   3.878
  382    HA   ILE  52           HA       ILE  52   7.680  -1.331   5.694
  383    HB   ILE  52           HB       ILE  52   8.254  -0.021   3.033
  384   1HG1  ILE  52          HG12      ILE  52   8.724  -2.872   4.029
  385   2HG1  ILE  52          HG13      ILE  52   7.434  -2.375   2.934
  386   1HG2  ILE  52          HG21      ILE  52  10.646  -0.449   3.470
  387   2HG2  ILE  52          HG22      ILE  52   9.995   0.624   4.694
  388   3HG2  ILE  52          HG23      ILE  52  10.253  -1.092   5.079
  389   1HD1  ILE  52          HD11      ILE  52   9.092  -3.349   1.570
  390   2HD1  ILE  52          HD12      ILE  52   9.190  -1.602   1.293
  391   3HD1  ILE  52          HD13      ILE  52  10.396  -2.415   2.316
  392    H    VAL  53           H        VAL  53   8.620   0.088   7.201
  393    HA   VAL  53           HA       VAL  53   7.640   2.924   7.097
  394    HB   VAL  53           HB       VAL  53   7.408   0.972   9.419
  395   1HG1  VAL  53          HG11      VAL  53   8.008   3.214  10.281
  396   2HG1  VAL  53          HG12      VAL  53   6.742   3.952   9.276
  397   3HG1  VAL  53          HG13      VAL  53   6.312   2.865  10.619
  398   1HG2  VAL  53          HG21      VAL  53   4.990   1.439   9.224
  399   2HG2  VAL  53          HG22      VAL  53   5.289   2.467   7.808
  400   3HG2  VAL  53          HG23      VAL  53   5.617   0.728   7.732
  401    H    LYS  54           H        LYS  54   9.530   3.970   6.702
  402    HA   LYS  54           HA       LYS  54  12.016   3.171   8.066
  403   1HB   LYS  54          HB2       LYS  54  11.362   5.645   6.405
  404   2HB   LYS  54          HB3       LYS  54  12.968   5.164   6.981
  405   1HG   LYS  54          HG2       LYS  54  12.770   3.041   5.654
  406   2HG   LYS  54          HG3       LYS  54  11.211   3.590   5.036
  407   1HD   LYS  54          HD2       LYS  54  12.912   3.988   3.383
  408   2HD   LYS  54          HD3       LYS  54  12.304   5.544   3.972
  409   1HE   LYS  54          HE2       LYS  54  14.272   5.799   5.426
  410   2HE   LYS  54          HE3       LYS  54  14.838   4.176   4.988
  411   1HZ   LYS  54          HZ1       LYS  54  16.004   5.878   3.738
  412   2HZ   LYS  54          HZ2       LYS  54  15.129   4.966   2.710
  413   3HZ   LYS  54          HZ3       LYS  54  14.617   6.466   3.110
  414    H    ILE  55           H        ILE  55  12.836   4.157   9.938
  415    HA   ILE  55           HA       ILE  55  11.467   6.548  10.971
  416    HB   ILE  55           HB       ILE  55  10.169   4.843  11.959
  417   1HG1  ILE  55          HG12      ILE  55  12.102   5.763  14.118
  418   2HG1  ILE  55          HG13      ILE  55  10.964   6.844  13.310
  419   1HG2  ILE  55          HG21      ILE  55  11.011   3.041  13.389
  420   2HG2  ILE  55          HG22      ILE  55  11.665   2.880  11.762
  421   3HG2  ILE  55          HG23      ILE  55  12.681   3.534  13.066
  422   1HD1  ILE  55          HD11      ILE  55   9.064   5.456  14.077
  423   2HD1  ILE  55          HD12      ILE  55  10.198   4.404  14.959
  424   3HD1  ILE  55          HD13      ILE  55  10.017   6.105  15.420
  425    H    ASP  56           H        ASP  56  12.820   7.962  11.769
  426    HA   ASP  56           HA       ASP  56  15.657   7.451  11.344
  427   1HB   ASP  56          HB2       ASP  56  14.600   9.406  10.368
  428   2HB   ASP  56          HB3       ASP  56  14.134   9.992  11.968
  429    H    VAL  57           H        VAL  57  16.763   6.570  13.061
  430    HA   VAL  57           HA       VAL  57  15.842   6.725  15.749
  431    HB   VAL  57           HB       VAL  57  17.930   5.661  16.378
  432   1HG1  VAL  57          HG11      VAL  57  16.875   4.473  13.776
  433   2HG1  VAL  57          HG12      VAL  57  17.683   3.615  15.105
  434   3HG1  VAL  57          HG13      VAL  57  16.088   4.344  15.361
  435   1HG2  VAL  57          HG21      VAL  57  19.547   6.846  14.922
  436   2HG2  VAL  57          HG22      VAL  57  19.686   5.091  14.775
  437   3HG2  VAL  57          HG23      VAL  57  18.875   6.020  13.504
  438    H    ASP  58           H        ASP  58  17.650   9.097  13.905
  439    HA   ASP  58           HA       ASP  58  19.010  10.295  16.160
  440   1HB   ASP  58          HB2       ASP  58  19.707  10.599  13.789
  441   2HB   ASP  58          HB3       ASP  58  18.235  11.539  13.502
  442    H    GLU  59           H        GLU  59  15.692  10.279  15.164
  443    HA   GLU  59           HA       GLU  59  15.106  12.511  17.077
  444   1HB   GLU  59          HB2       GLU  59  13.693  11.824  14.470
  445   2HB   GLU  59          HB3       GLU  59  13.142  13.021  15.650
  446   1HG   GLU  59          HG2       GLU  59  15.359  14.218  15.358
  447   2HG   GLU  59          HG3       GLU  59  15.691  13.144  13.997
  448    H    ASN  60           H        ASN  60  14.942   9.211  16.772
  449    HA   ASN  60           HA       ASN  60  12.382   9.006  18.292
  450   1HB   ASN  60          HB2       ASN  60  13.127   7.359  15.845
  451   2HB   ASN  60          HB3       ASN  60  11.739   7.085  16.887
  452   1HD2  ASN  60          HD22      ASN  60  12.982   9.046  14.286
  453   2HD2  ASN  60          HD21      ASN  60  11.517   9.982  14.030
  454    H    GLN  61           H        GLN  61  14.929   8.978  19.470
  455    HA   GLN  61           HA       GLN  61  16.065   6.452  19.906
  456   1HB   GLN  61          HB2       GLN  61  15.694   8.725  21.915
  457   2HB   GLN  61          HB3       GLN  61  16.768   7.342  22.099
  458   1HG   GLN  61          HG2       GLN  61  18.317   8.782  21.294
  459   2HG   GLN  61          HG3       GLN  61  17.723   8.160  19.756
  460   1HE2  GLN  61          HE22      GLN  61  17.189   9.666  18.267
  461   2HE2  GLN  61          HE21      GLN  61  16.915  11.365  18.593
  462    H    GLU  62           H        GLU  62  13.039   7.802  21.235
  463    HA   GLU  62           HA       GLU  62  12.758   5.933  23.355
  464   1HB   GLU  62          HB2       GLU  62  10.652   7.454  21.751
  465   2HB   GLU  62          HB3       GLU  62  10.314   6.558  23.232
  466   1HG   GLU  62          HG2       GLU  62  12.192   8.953  23.001
  467   2HG   GLU  62          HG3       GLU  62  10.546   8.991  23.615
  468    H    THR  63           H        THR  63  11.513   5.810  19.944
  469    HA   THR  63           HA       THR  63  10.222   3.303  20.301
  470    HB   THR  63           HB       THR  63  11.238   4.155  17.647
  471    HG1  THR  63           HG1      THR  63   9.366   5.682  19.123
  472   1HG2  THR  63          HG21      THR  63   8.967   3.687  16.877
  473   2HG2  THR  63          HG22      THR  63   9.586   2.325  17.814
  474   3HG2  THR  63          HG23      THR  63   8.424   3.442  18.556
  475    H    ALA  64           H        ALA  64  13.463   4.282  19.102
  476    HA   ALA  64           HA       ALA  64  14.434   1.701  18.426
  477   1HB   ALA  64          HB1       ALA  64  15.631   3.791  17.861
  478   2HB   ALA  64          HB2       ALA  64  15.895   4.132  19.584
  479   3HB   ALA  64          HB3       ALA  64  16.691   2.752  18.833
  480    H    GLY  65           H        GLY  65  14.523   3.444  21.577
  481   1HA   GLY  65          HA2       GLY  65  15.772   1.426  23.104
  482   2HA   GLY  65          HA3       GLY  65  14.697   2.701  23.710
  483    H    LYS  66           H        LYS  66  12.393   1.777  22.055
  484    HA   LYS  66           HA       LYS  66  11.080   0.091  23.843
  485   1HB   LYS  66          HB2       LYS  66  10.180   1.619  21.966
  486   2HB   LYS  66          HB3       LYS  66  10.432   0.246  20.889
  487   1HG   LYS  66          HG2       LYS  66   8.868  -1.127  22.090
  488   2HG   LYS  66          HG3       LYS  66   8.776   0.034  23.434
  489   1HD   LYS  66          HD2       LYS  66   7.752   1.708  21.988
  490   2HD   LYS  66          HD3       LYS  66   7.900   0.635  20.579
  491   1HE   LYS  66          HE2       LYS  66   6.415  -1.022  21.684
  492   2HE   LYS  66          HE3       LYS  66   6.281   0.031  23.099
  493   1HZ   LYS  66          HZ1       LYS  66   5.200   1.684  21.694
  494   2HZ   LYS  66          HZ2       LYS  66   5.327   0.719  20.377
  495   3HZ   LYS  66          HZ3       LYS  66   4.384   0.276  21.630
  496    H    TYR  67           H        TYR  67  13.159  -0.781  21.094
  497    HA   TYR  67           HA       TYR  67  12.788  -3.663  21.819
  498   1HB   TYR  67          HB2       TYR  67  13.738  -2.812  19.111
  499   2HB   TYR  67          HB3       TYR  67  12.931  -4.290  19.595
  500    HD1  TYR  67           HD1      TYR  67  12.569  -0.839  18.466
  501    HD2  TYR  67           HD2      TYR  67  10.406  -4.244  20.000
  502    HE1  TYR  67           HE1      TYR  67  10.472   0.260  17.885
  503    HE2  TYR  67           HE2      TYR  67   8.266  -3.169  19.361
  504    HH   TYR  67           HH       TYR  67   7.248  -1.280  18.477
  505    H    GLY  68           H        GLY  68  14.869  -1.347  22.557
  506   1HA   GLY  68          HA2       GLY  68  17.083  -1.242  23.069
  507   2HA   GLY  68          HA3       GLY  68  17.136  -3.008  22.941
  508    H    VAL  69           H        VAL  69  16.277  -0.787  20.255
  509    HA   VAL  69           HA       VAL  69  18.314  -1.868  18.495
  510    HB   VAL  69           HB       VAL  69  16.605   0.645  18.257
  511   1HG1  VAL  69          HG11      VAL  69  18.503   0.781  16.740
  512   2HG1  VAL  69          HG12      VAL  69  18.214  -0.874  16.174
  513   3HG1  VAL  69          HG13      VAL  69  17.048   0.419  15.811
  514   1HG2  VAL  69          HG21      VAL  69  16.084  -2.168  17.234
  515   2HG2  VAL  69          HG22      VAL  69  15.120  -1.238  18.401
  516   3HG2  VAL  69          HG23      VAL  69  15.180  -0.721  16.724
  517    H    MET  70           H        MET  70  20.416  -1.319  18.549
  518    HA   MET  70           HA       MET  70  21.286   1.350  19.556
  519   1HB   MET  70          HB2       MET  70  22.343  -1.394  20.341
  520   2HB   MET  70          HB3       MET  70  23.186   0.120  20.690
  521   1HG   MET  70          HG2       MET  70  21.256   0.937  21.979
  522   2HG   MET  70          HG3       MET  70  20.414  -0.586  21.713
  523   1HE   MET  70          HE1       MET  70  22.342  -3.151  23.883
  524   2HE   MET  70          HE2       MET  70  20.919  -2.830  22.870
  525   3HE   MET  70          HE3       MET  70  22.540  -2.880  22.140
  526    H    SER  71           H        SER  71  21.138  -0.513  16.902
  527    HA   SER  71           HA       SER  71  23.501   0.642  15.678
  528   1HB   SER  71          HB2       SER  71  22.807  -2.328  15.427
  529   2HB   SER  71          HB3       SER  71  24.096  -1.479  14.563
  530    HG   SER  71           HG       SER  71  23.911  -1.973  17.358
  531    H    ILE  72           H        ILE  72  23.187   0.495  13.223
  532    HA   ILE  72           HA       ILE  72  20.493  -0.144  12.337
  533    HB   ILE  72           HB       ILE  72  20.280   1.985  11.087
  534   1HG1  ILE  72          HG12      ILE  72  22.455   3.089  12.915
  535   2HG1  ILE  72          HG13      ILE  72  22.683   2.702  11.208
  536   1HG2  ILE  72          HG21      ILE  72  19.095   1.503  13.265
  537   2HG2  ILE  72          HG22      ILE  72  20.328   2.476  14.087
  538   3HG2  ILE  72          HG23      ILE  72  19.260   3.214  12.878
  539   1HD1  ILE  72          HD11      ILE  72  22.289   5.076  11.429
  540   2HD1  ILE  72          HD12      ILE  72  20.908   4.330  10.603
  541   3HD1  ILE  72          HD13      ILE  72  20.776   4.806  12.309
  542    HA   PRO  73           HA       PRO  73  19.529   0.291   9.953
  543   1HB   PRO  73          HB2       PRO  73  18.993  -1.651   8.109
  544   2HB   PRO  73          HB3       PRO  73  19.682  -0.061   7.679
  545   1HG   PRO  73          HG2       PRO  73  21.141  -2.685   8.090
  546   2HG   PRO  73          HG3       PRO  73  21.345  -1.508   6.757
  547   1HD   PRO  73          HD2       PRO  73  23.017  -1.570   8.922
  548   2HD   PRO  73          HD3       PRO  73  22.570  -0.034   8.127
  549    H    THR  74           H        THR  74  17.954  -0.657  11.179
  550    HA   THR  74           HA       THR  74  18.274  -3.529  11.918
  551    HB   THR  74           HB       THR  74  17.723  -1.217  13.811
  552    HG1  THR  74           HG1      THR  74  19.729  -1.531  14.254
  553   1HG2  THR  74          HG21      THR  74  17.398  -4.227  14.198
  554   2HG2  THR  74          HG22      THR  74  17.620  -3.097  15.550
  555   3HG2  THR  74          HG23      THR  74  16.208  -2.947  14.496
  556    H    LEU  75           H        LEU  75  16.419  -4.668  11.823
  557    HA   LEU  75           HA       LEU  75  14.150  -3.243  10.545
  558   1HB   LEU  75          HB2       LEU  75  15.546  -5.856   9.951
  559   2HB   LEU  75          HB3       LEU  75  13.839  -5.651   9.571
  560    HG   LEU  75           HG       LEU  75  14.299  -3.761   8.108
  561   1HD1  LEU  75          HD11      LEU  75  16.645  -3.249   7.388
  562   2HD1  LEU  75          HD12      LEU  75  16.239  -2.686   8.997
  563   3HD1  LEU  75          HD13      LEU  75  17.234  -4.157   8.799
  564   1HD2  LEU  75          HD21      LEU  75  14.381  -6.137   7.281
  565   2HD2  LEU  75          HD22      LEU  75  15.343  -5.014   6.310
  566   3HD2  LEU  75          HD23      LEU  75  16.144  -6.104   7.467
  567    H    LEU  76           H        LEU  76  12.237  -3.489  11.549
  568    HA   LEU  76           HA       LEU  76  11.918  -5.626  13.654
  569   1HB   LEU  76          HB2       LEU  76  10.993  -2.724  13.621
  570   2HB   LEU  76          HB3       LEU  76  10.150  -3.943  14.545
  571    HG   LEU  76           HG       LEU  76  11.695  -2.520  15.883
  572   1HD1  LEU  76          HD11      LEU  76  11.012  -4.651  16.757
  573   2HD1  LEU  76          HD12      LEU  76  12.257  -5.514  15.833
  574   3HD1  LEU  76          HD13      LEU  76  12.720  -4.420  17.145
  575   1HD2  LEU  76          HD21      LEU  76  13.995  -4.060  14.648
  576   2HD2  LEU  76          HD22      LEU  76  13.556  -2.411  14.166
  577   3HD2  LEU  76          HD23      LEU  76  14.047  -2.749  15.836
  578    H    VAL  77           H        VAL  77   9.907  -6.697  13.509
  579    HA   VAL  77           HA       VAL  77   8.346  -6.064  11.041
  580    HB   VAL  77           HB       VAL  77   8.778  -8.855  12.084
  581   1HG1  VAL  77          HG11      VAL  77   8.191  -9.452   9.743
  582   2HG1  VAL  77          HG12      VAL  77   6.915  -8.511  10.531
  583   3HG1  VAL  77          HG13      VAL  77   7.999  -7.729   9.358
  584   1HG2  VAL  77          HG21      VAL  77  10.481  -9.215  10.312
  585   2HG2  VAL  77          HG22      VAL  77  10.544  -7.460  10.031
  586   3HG2  VAL  77          HG23      VAL  77  11.056  -8.152  11.590
  587    H    LEU  78           H        LEU  78   6.234  -5.850  11.443
  588    HA   LEU  78           HA       LEU  78   5.225  -6.575  14.138
  589   1HB   LEU  78          HB2       LEU  78   4.795  -3.914  12.700
  590   2HB   LEU  78          HB3       LEU  78   4.065  -4.422  14.215
  591    HG   LEU  78           HG       LEU  78   6.718  -4.751  14.845
  592   1HD1  LEU  78          HD11      LEU  78   8.020  -2.854  14.084
  593   2HD1  LEU  78          HD12      LEU  78   7.552  -3.854  12.707
  594   3HD1  LEU  78          HD13      LEU  78   6.704  -2.334  13.014
  595   1HD2  LEU  78          HD21      LEU  78   6.600  -2.699  16.101
  596   2HD2  LEU  78          HD22      LEU  78   5.224  -2.128  15.126
  597   3HD2  LEU  78          HD23      LEU  78   5.050  -3.539  16.187
  598    H    LYS  79           H        LYS  79   3.025  -7.054  14.179
  599    HA   LYS  79           HA       LYS  79   1.664  -7.269  11.528
  600   1HB   LYS  79          HB2       LYS  79   2.608  -9.443  11.885
  601   2HB   LYS  79          HB3       LYS  79   2.085  -9.479  13.569
  602   1HG   LYS  79          HG2       LYS  79   0.755 -10.941  12.136
  603   2HG   LYS  79          HG3       LYS  79  -0.243  -9.712  12.919
  604   1HD   LYS  79          HD2       LYS  79  -0.339  -8.421  10.818
  605   2HD   LYS  79          HD3       LYS  79   0.733  -9.574  10.035
  606   1HE   LYS  79          HE2       LYS  79  -2.055 -10.171  11.122
  607   2HE   LYS  79          HE3       LYS  79  -1.653  -9.877   9.430
  608   1HZ   LYS  79          HZ1       LYS  79  -0.216 -11.881   9.517
  609   2HZ   LYS  79          HZ2       LYS  79  -0.736 -12.182  11.042
  610   3HZ   LYS  79          HZ3       LYS  79  -1.792 -12.212   9.805
  611    H    ASP  80           H        ASP  80  -0.048  -6.074  11.685
  612    HA   ASP  80           HA       ASP  80  -1.898  -5.042  12.401
  613   1HB   ASP  80          HB2       ASP  80  -2.634  -7.390  12.209
  614   2HB   ASP  80          HB3       ASP  80  -2.329  -7.629  13.930
  615    H    GLY  81           H        GLY  81   0.418  -4.334  13.881
  616   1HA   GLY  81          HA2       GLY  81   0.359  -2.469  15.280
  617   2HA   GLY  81          HA3       GLY  81  -0.958  -3.156  16.222
  618    H    GLU  82           H        GLU  82   1.233  -5.729  15.985
  619    HA   GLU  82           HA       GLU  82   2.792  -4.769  18.331
  620   1HB   GLU  82          HB2       GLU  82   2.332  -6.742  19.498
  621   2HB   GLU  82          HB3       GLU  82   0.784  -6.155  18.871
  622   1HG   GLU  82          HG2       GLU  82   0.877  -7.849  17.062
  623   2HG   GLU  82          HG3       GLU  82   2.405  -8.456  17.705
  624    H    VAL  83           H        VAL  83   4.886  -5.575  18.539
  625    HA   VAL  83           HA       VAL  83   6.226  -6.316  16.086
  626    HB   VAL  83           HB       VAL  83   7.208  -4.870  17.807
  627   1HG1  VAL  83          HG11      VAL  83   7.522  -7.354  19.534
  628   2HG1  VAL  83          HG12      VAL  83   8.177  -5.741  19.857
  629   3HG1  VAL  83          HG13      VAL  83   6.429  -5.996  19.874
  630   1HG2  VAL  83          HG21      VAL  83   9.456  -5.867  17.771
  631   2HG2  VAL  83          HG22      VAL  83   8.779  -7.400  17.204
  632   3HG2  VAL  83          HG23      VAL  83   8.648  -5.939  16.193
  633    H    VAL  84           H        VAL  84   6.630  -8.145  15.262
  634    HA   VAL  84           HA       VAL  84   6.214 -10.614  16.855
  635    HB   VAL  84           HB       VAL  84   4.369  -9.988  15.319
  636   1HG1  VAL  84          HG11      VAL  84   5.514  -8.926  13.484
  637   2HG1  VAL  84          HG12      VAL  84   6.412 -10.403  13.104
  638   3HG1  VAL  84          HG13      VAL  84   4.656 -10.338  12.872
  639   1HG2  VAL  84          HG21      VAL  84   4.678 -12.295  16.001
  640   2HG2  VAL  84          HG22      VAL  84   4.050 -12.194  14.350
  641   3HG2  VAL  84          HG23      VAL  84   5.761 -12.588  14.630
  642    H    GLU  85           H        GLU  85   8.531  -8.828  14.794
  643    HA   GLU  85           HA       GLU  85  10.416 -10.999  15.349
  644   1HB   GLU  85          HB2       GLU  85   9.069 -10.899  12.783
  645   2HB   GLU  85          HB3       GLU  85  10.765 -10.550  12.528
  646   1HG   GLU  85          HG2       GLU  85   9.753 -12.997  14.042
  647   2HG   GLU  85          HG3       GLU  85  10.053 -12.952  12.314
  648    H    THR  86           H        THR  86  12.657 -10.447  14.437
  649    HA   THR  86           HA       THR  86  13.149  -7.581  13.968
  650    HB   THR  86           HB       THR  86  14.514  -9.151  16.186
  651    HG1  THR  86           HG1      THR  86  12.142  -7.890  16.170
  652   1HG2  THR  86          HG21      THR  86  15.245  -6.875  16.972
  653   2HG2  THR  86          HG22      THR  86  15.945  -7.351  15.422
  654   3HG2  THR  86          HG23      THR  86  14.601  -6.193  15.461
  655    H    SER  87           H        SER  87  15.215  -7.249  12.932
  656    HA   SER  87           HA       SER  87  17.110  -9.437  12.581
  657   1HB   SER  87          HB2       SER  87  15.587  -8.181  10.245
  658   2HB   SER  87          HB3       SER  87  17.087  -9.108  10.067
  659    HG   SER  87           HG       SER  87  15.132 -10.316  11.590
  660    H    VAL  88           H        VAL  88  19.204  -8.521  11.738
  661    HA   VAL  88           HA       VAL  88  19.374  -5.552  11.946
  662    HB   VAL  88           HB       VAL  88  21.218  -7.528  13.329
  663   1HG1  VAL  88          HG11      VAL  88  21.036  -4.486  13.480
  664   2HG1  VAL  88          HG12      VAL  88  22.089  -5.499  14.488
  665   3HG1  VAL  88          HG13      VAL  88  22.352  -5.428  12.746
  666   1HG2  VAL  88          HG21      VAL  88  19.076  -7.564  14.540
  667   2HG2  VAL  88          HG22      VAL  88  20.278  -6.683  15.475
  668   3HG2  VAL  88          HG23      VAL  88  19.043  -5.789  14.567
  669    H    GLY  89           H        GLY  89  20.874  -4.630  10.535
  670   1HA   GLY  89          HA2       GLY  89  22.645  -4.533   9.055
  671   2HA   GLY  89          HA3       GLY  89  22.889  -6.275   9.193
  672    H    PHE  90           H        PHE  90  23.208  -5.687   6.781
  673    HA   PHE  90           HA       PHE  90  20.999  -5.196   5.050
  674   1HB   PHE  90          HB2       PHE  90  23.351  -4.841   4.435
  675   2HB   PHE  90          HB3       PHE  90  23.688  -6.558   4.608
  676    HD1  PHE  90           HD1      PHE  90  22.148  -3.971   2.468
  677    HD2  PHE  90           HD2      PHE  90  22.963  -8.187   2.899
  678    HE1  PHE  90           HE1      PHE  90  21.545  -4.338   0.087
  679    HE2  PHE  90           HE2      PHE  90  22.343  -8.546   0.524
  680    HZ   PHE  90           HZ       PHE  90  21.628  -6.623  -0.883
  681    H    LYS  91           H        LYS  91  19.826  -6.692   3.689
  682    HA   LYS  91           HA       LYS  91  20.293  -9.541   3.896
  683   1HB   LYS  91          HB2       LYS  91  17.611  -8.320   4.720
  684   2HB   LYS  91          HB3       LYS  91  17.722  -9.910   3.994
  685   1HG   LYS  91          HG2       LYS  91  17.797 -10.606   6.133
  686   2HG   LYS  91          HG3       LYS  91  19.521 -10.348   5.895
  687   1HD   LYS  91          HD2       LYS  91  18.979  -7.898   6.796
  688   2HD   LYS  91          HD3       LYS  91  17.469  -8.608   7.323
  689   1HE   LYS  91          HE2       LYS  91  19.059  -8.563   9.142
  690   2HE   LYS  91          HE3       LYS  91  18.705 -10.247   8.726
  691   1HZ   LYS  91          HZ1       LYS  91  21.028  -9.024   7.448
  692   2HZ   LYS  91          HZ2       LYS  91  21.132  -9.277   9.066
  693   3HZ   LYS  91          HZ3       LYS  91  20.851 -10.542   8.045
  694    HA   PRO  92           HA       PRO  92  19.033  -8.758  -0.373
  695   1HB   PRO  92          HB2       PRO  92  18.661 -11.304  -1.290
  696   2HB   PRO  92          HB3       PRO  92  20.285 -10.638  -0.939
  697   1HG   PRO  92          HG2       PRO  92  18.568 -12.392   0.842
  698   2HG   PRO  92          HG3       PRO  92  20.305 -12.584   0.444
  699   1HD   PRO  92          HD2       PRO  92  19.448 -11.366   2.748
  700   2HD   PRO  92          HD3       PRO  92  20.927 -10.839   1.893
  701    H    LYS  93           H        LYS  93  17.082  -8.891  -1.651
  702    HA   LYS  93           HA       LYS  93  14.707  -8.588  -0.188
  703   1HB   LYS  93          HB2       LYS  93  13.552  -8.600  -2.379
  704   2HB   LYS  93          HB3       LYS  93  14.928  -7.515  -2.299
  705   1HG   LYS  93          HG2       LYS  93  16.298  -9.365  -3.469
  706   2HG   LYS  93          HG3       LYS  93  14.750 -10.193  -3.728
  707   1HD   LYS  93          HD2       LYS  93  13.908  -8.154  -4.905
  708   2HD   LYS  93          HD3       LYS  93  15.501  -7.384  -4.647
  709   1HE   LYS  93          HE2       LYS  93  16.603  -9.115  -5.976
  710   2HE   LYS  93          HE3       LYS  93  15.108 -10.053  -6.096
  711   1HZ   LYS  93          HZ1       LYS  93  15.596  -8.756  -8.103
  712   2HZ   LYS  93          HZ2       LYS  93  14.165  -8.322  -7.456
  713   3HZ   LYS  93          HZ3       LYS  93  15.475  -7.351  -7.266
  714    H    GLU  94           H        GLU  94  15.973 -11.537  -1.671
  715    HA   GLU  94           HA       GLU  94  13.552 -13.030  -1.463
  716   1HB   GLU  94          HB2       GLU  94  16.447 -13.977  -1.418
  717   2HB   GLU  94          HB3       GLU  94  15.039 -15.020  -1.637
  718   1HG   GLU  94          HG2       GLU  94  15.920 -12.781  -3.516
  719   2HG   GLU  94          HG3       GLU  94  16.144 -14.502  -3.778
  720    H    ALA  95           H        ALA  95  16.305 -12.600   0.842
  721    HA   ALA  95           HA       ALA  95  15.203 -14.314   2.848
  722   1HB   ALA  95          HB1       ALA  95  17.584 -13.689   2.838
  723   2HB   ALA  95          HB2       ALA  95  17.147 -11.981   3.101
  724   3HB   ALA  95          HB3       ALA  95  16.814 -13.188   4.356
  725    H    LEU  96           H        LEU  96  14.911 -10.828   2.142
  726    HA   LEU  96           HA       LEU  96  13.339 -10.181   4.421
  727   1HB   LEU  96          HB2       LEU  96  13.399  -8.933   1.664
  728   2HB   LEU  96          HB3       LEU  96  12.556  -8.252   3.051
  729    HG   LEU  96           HG       LEU  96  15.569  -8.699   2.934
  730   1HD1  LEU  96          HD11      LEU  96  14.056  -6.067   2.776
  731   2HD1  LEU  96          HD12      LEU  96  15.805  -6.328   2.629
  732   3HD1  LEU  96          HD13      LEU  96  14.723  -6.919   1.368
  733   1HD2  LEU  96          HD21      LEU  96  14.810  -8.770   5.242
  734   2HD2  LEU  96          HD22      LEU  96  15.576  -7.208   4.949
  735   3HD2  LEU  96          HD23      LEU  96  13.807  -7.318   5.000
  736    H    GLN  97           H        GLN  97  12.327 -11.268   1.147
  737    HA   GLN  97           HA       GLN  97   9.540 -11.176   1.663
  738   1HB   GLN  97          HB2       GLN  97  11.299 -12.862  -0.155
  739   2HB   GLN  97          HB3       GLN  97   9.605 -13.293   0.014
  740   1HG   GLN  97          HG2       GLN  97   8.821 -11.383  -1.019
  741   2HG   GLN  97          HG3       GLN  97  10.305 -10.459  -0.699
  742   1HE2  GLN  97          HE22      GLN  97  12.180 -10.895  -1.925
  743   2HE2  GLN  97          HE21      GLN  97  12.187 -11.817  -3.425
  744    H    GLU  98           H        GLU  98  11.966 -13.694   2.394
  745    HA   GLU  98           HA       GLU  98  10.031 -15.570   3.353
  746   1HB   GLU  98          HB2       GLU  98  13.018 -15.317   3.857
  747   2HB   GLU  98          HB3       GLU  98  12.031 -16.586   4.590
  748   1HG   GLU  98          HG2       GLU  98  11.292 -17.328   2.342
  749   2HG   GLU  98          HG3       GLU  98  12.327 -16.118   1.594
  750    H    LEU  99           H        LEU  99  11.870 -12.989   5.011
  751    HA   LEU  99           HA       LEU  99  11.007 -13.535   7.640
  752   1HB   LEU  99          HB2       LEU  99  12.918 -12.123   7.035
  753   2HB   LEU  99          HB3       LEU  99  11.860 -10.996   6.193
  754    HG   LEU  99           HG       LEU  99  10.745 -10.420   8.292
  755   1HD1  LEU  99          HD11      LEU  99  12.849 -12.265   9.516
  756   2HD1  LEU  99          HD12      LEU  99  11.918 -11.084  10.455
  757   3HD1  LEU  99          HD13      LEU  99  11.079 -12.414   9.648
  758   1HD2  LEU  99          HD21      LEU  99  12.654  -9.090   9.189
  759   2HD2  LEU  99          HD22      LEU  99  13.777 -10.113   8.269
  760   3HD2  LEU  99          HD23      LEU  99  12.605  -9.083   7.419
  761    H    VAL 100           H        VAL 100   9.571 -11.440   5.054
  762    HA   VAL 100           HA       VAL 100   7.322 -10.573   6.564
  763    HB   VAL 100           HB       VAL 100   7.730 -10.991   3.576
  764   1HG1  VAL 100          HG11      VAL 100   5.335 -10.848   3.948
  765   2HG1  VAL 100          HG12      VAL 100   5.536  -9.431   4.997
  766   3HG1  VAL 100          HG13      VAL 100   5.893  -9.318   3.265
  767   1HG2  VAL 100          HG21      VAL 100   8.419  -8.790   3.375
  768   2HG2  VAL 100          HG22      VAL 100   7.773  -8.303   4.973
  769   3HG2  VAL 100          HG23      VAL 100   9.237  -9.273   4.849
  770    H    ASN 101           H        ASN 101   7.884 -13.410   4.499
  771    HA   ASN 101           HA       ASN 101   5.268 -14.354   4.301
  772   1HB   ASN 101          HB2       ASN 101   7.287 -15.055   2.955
  773   2HB   ASN 101          HB3       ASN 101   7.769 -16.081   4.310
  774   1HD2  ASN 101          HD22      ASN 101   5.628 -15.684   1.586
  775   2HD2  ASN 101          HD21      ASN 101   4.819 -17.224   1.721
  776    H    LYS 102           H        LYS 102   7.536 -14.733   6.974
  777    HA   LYS 102           HA       LYS 102   6.342 -16.872   8.388
  778   1HB   LYS 102          HB2       LYS 102   7.575 -14.320   9.491
  779   2HB   LYS 102          HB3       LYS 102   7.240 -15.774  10.428
  780   1HG   LYS 102          HG2       LYS 102   8.885 -17.016   8.966
  781   2HG   LYS 102          HG3       LYS 102   9.292 -15.458   8.214
  782   1HD   LYS 102          HD2       LYS 102   9.853 -14.545  10.485
  783   2HD   LYS 102          HD3       LYS 102   9.552 -16.157  11.167
  784   1HE   LYS 102          HE2       LYS 102  11.322 -17.050   9.568
  785   2HE   LYS 102          HE3       LYS 102  11.689 -15.376   9.135
  786   1HZ   LYS 102          HZ1       LYS 102  13.182 -16.132  10.841
  787   2HZ   LYS 102          HZ2       LYS 102  12.226 -14.995  11.533
  788   3HZ   LYS 102          HZ3       LYS 102  11.968 -16.584  11.825
  789    H    HIS 103           H        HIS 103   5.098 -13.607   7.866
  790    HA   HIS 103           HA       HIS 103   3.080 -14.014  10.033
  791   1HB   HIS 103          HB2       HIS 103   4.233 -11.390   9.059
  792   2HB   HIS 103          HB3       HIS 103   3.264 -11.672  10.507
  793    HD1  HIS 103           HD1      HIS 103   4.732 -13.650  12.225
  794    HD2  HIS 103           HD2      HIS 103   6.750 -11.198   9.465
  795    HE1  HIS 103           HE1      HIS 103   7.185 -13.639  12.923
  796    H    LEU 104           H        LEU 104   3.270 -13.881   6.681
  797    HA   LEU 104           HA       LEU 104   1.000 -12.271   6.027
  798   1HB   LEU 104          HB2       LEU 104   2.173 -14.739   4.680
  799   2HB   LEU 104          HB3       LEU 104   0.843 -13.805   4.015
  800    HG   LEU 104           HG       LEU 104   3.645 -12.721   4.516
  801   1HD1  LEU 104          HD11      LEU 104   3.499 -14.394   2.678
  802   2HD1  LEU 104          HD12      LEU 104   2.226 -13.426   1.912
  803   3HD1  LEU 104          HD13      LEU 104   3.867 -12.769   2.078
  804   1HD2  LEU 104          HD21      LEU 104   1.216 -11.435   3.195
  805   2HD2  LEU 104          HD22      LEU 104   2.032 -10.890   4.677
  806   3HD2  LEU 104          HD23      LEU 104   2.868 -10.783   3.129
  Start of MODEL    7
    1   1H    MET   1          H1        MET   1   1.031  -0.674   2.120
    2   2H    MET   1          H2        MET   1  -0.123  -1.693   1.551
    3   3H    MET   1          H3        MET   1   1.446  -1.972   1.193
    4    HA   MET   1           HA       MET   1   0.259  -1.128  -0.659
    5   1HB   MET   1          HB2       MET   1  -0.728   0.972  -0.806
    6   2HB   MET   1          HB3       MET   1  -1.374   0.217   0.637
    7   1HG   MET   1          HG2       MET   1   0.634   2.489   0.464
    8   2HG   MET   1          HG3       MET   1  -1.023   2.552   1.028
    9   1HE   MET   1          HE1       MET   1   0.850   3.489   4.258
   10   2HE   MET   1          HE2       MET   1   1.317   3.925   2.599
   11   3HE   MET   1          HE3       MET   1  -0.398   3.922   3.073
   12    H    ALA   2           H        ALA   2   2.525   0.981   1.342
   13    HA   ALA   2           HA       ALA   2   4.440   0.932  -0.885
   14   1HB   ALA   2          HB1       ALA   2   3.171   3.490   0.197
   15   2HB   ALA   2          HB2       ALA   2   4.482   3.393  -0.996
   16   3HB   ALA   2          HB3       ALA   2   2.871   2.797  -1.414
   17    H    ILE   3           H        ILE   3   6.382   2.444  -0.120
   18    HA   ILE   3           HA       ILE   3   7.092   1.858   2.660
   19    HB   ILE   3           HB       ILE   3   8.420   3.538   0.500
   20   1HG1  ILE   3          HG12      ILE   3   9.746   1.031   1.465
   21   2HG1  ILE   3          HG13      ILE   3   8.260   0.757   0.574
   22   1HG2  ILE   3          HG21      ILE   3  10.491   3.392   1.920
   23   2HG2  ILE   3          HG22      ILE   3   9.218   4.371   2.641
   24   3HG2  ILE   3          HG23      ILE   3   9.503   2.720   3.235
   25   1HD1  ILE   3          HD11      ILE   3  10.577   2.442  -0.444
   26   2HD1  ILE   3          HD12      ILE   3  10.222   0.763  -0.891
   27   3HD1  ILE   3          HD13      ILE   3   9.065   2.051  -1.315
   28    H    VAL   4           H        VAL   4   7.195   3.431   4.287
   29    HA   VAL   4           HA       VAL   4   5.908   6.070   3.857
   30    HB   VAL   4           HB       VAL   4   5.266   4.110   6.101
   31   1HG1  VAL   4          HG11      VAL   4   3.912   6.706   5.269
   32   2HG1  VAL   4          HG12      VAL   4   3.256   5.560   6.457
   33   3HG1  VAL   4          HG13      VAL   4   4.765   6.367   6.798
   34   1HG2  VAL   4          HG21      VAL   4   3.642   4.648   3.579
   35   2HG2  VAL   4          HG22      VAL   4   4.340   3.095   4.098
   36   3HG2  VAL   4          HG23      VAL   4   3.024   3.807   5.015
   37    H    LYS   5           H        LYS   5   6.353   7.466   5.790
   38    HA   LYS   5           HA       LYS   5   8.926   6.851   7.174
   39   1HB   LYS   5          HB2       LYS   5   9.046   8.701   5.432
   40   2HB   LYS   5          HB3       LYS   5   7.806   9.554   6.350
   41   1HG   LYS   5          HG2       LYS   5   9.869  10.557   6.916
   42   2HG   LYS   5          HG3       LYS   5   9.347   9.650   8.321
   43   1HD   LYS   5          HD2       LYS   5  11.773   9.432   7.908
   44   2HD   LYS   5          HD3       LYS   5  10.956   7.881   7.855
   45   1HE   LYS   5          HE2       LYS   5  12.595   7.983   6.065
   46   2HE   LYS   5          HE3       LYS   5  10.970   7.895   5.393
   47   1HZ   LYS   5          HZ1       LYS   5  12.576  10.393   5.625
   48   2HZ   LYS   5          HZ2       LYS   5  12.352   9.546   4.253
   49   3HZ   LYS   5          HZ3       LYS   5  11.091  10.291   4.955
   50    H    ALA   6           H        ALA   6   8.785   7.263   9.418
   51    HA   ALA   6           HA       ALA   6   6.280   8.389  10.528
   52   1HB   ALA   6          HB1       ALA   6   5.910   6.406  11.962
   53   2HB   ALA   6          HB2       ALA   6   5.800   5.969  10.251
   54   3HB   ALA   6          HB3       ALA   6   7.271   5.578  11.179
   55    H    THR   7           H        THR   7   6.374   8.573  12.872
   56    HA   THR   7           HA       THR   7   9.009   8.510  14.161
   57    HB   THR   7           HB       THR   7   8.350  10.661  15.317
   58    HG1  THR   7           HG1      THR   7   6.818  11.965  14.267
   59   1HG2  THR   7          HG21      THR   7   8.707  11.011  12.304
   60   2HG2  THR   7          HG22      THR   7   9.166  12.153  13.589
   61   3HG2  THR   7          HG23      THR   7  10.013  10.608  13.431
   62    H    ASP   8           H        ASP   8   8.562   8.767  16.598
   63    HA   ASP   8           HA       ASP   8   6.897   6.855  17.678
   64   1HB   ASP   8          HB2       ASP   8   8.651   8.004  18.941
   65   2HB   ASP   8          HB3       ASP   8   7.756   9.520  18.847
   66    H    GLN   9           H        GLN   9   5.965  10.088  16.674
   67    HA   GLN   9           HA       GLN   9   3.531  10.426  18.046
   68   1HB   GLN   9          HB2       GLN   9   4.344  11.376  15.268
   69   2HB   GLN   9          HB3       GLN   9   3.011  12.029  16.220
   70   1HG   GLN   9          HG2       GLN   9   4.575  12.821  17.952
   71   2HG   GLN   9          HG3       GLN   9   5.943  12.138  17.071
   72   1HE2  GLN   9          HE22      GLN   9   3.519  14.748  17.064
   73   2HE2  GLN   9          HE21      GLN   9   4.291  15.699  15.823
   74    H    SER  10           H        SER  10   4.256   8.488  15.176
   75    HA   SER  10           HA       SER  10   1.373   7.725  14.932
   76   1HB   SER  10          HB2       SER  10   3.191   8.496  12.620
   77   2HB   SER  10          HB3       SER  10   1.468   8.103  12.536
   78    HG   SER  10           HG       SER  10   1.020   9.991  13.696
   79    H    PHE  11           H        PHE  11   4.589   6.574  15.110
   80    HA   PHE  11           HA       PHE  11   4.746   4.559  13.257
   81   1HB   PHE  11          HB2       PHE  11   6.535   5.280  14.806
   82   2HB   PHE  11          HB3       PHE  11   5.702   4.515  16.153
   83    HD1  PHE  11           HD1      PHE  11   7.470   3.925  12.929
   84    HD2  PHE  11           HD2      PHE  11   5.936   2.121  16.538
   85    HE1  PHE  11           HE1      PHE  11   8.698   1.849  12.412
   86    HE2  PHE  11           HE2      PHE  11   7.162   0.033  16.005
   87    HZ   PHE  11           HZ       PHE  11   8.545  -0.113  13.954
   88    H    SER  12           H        SER  12   3.155   4.285  16.495
   89    HA   SER  12           HA       SER  12   2.516   1.567  16.285
   90   1HB   SER  12          HB2       SER  12   0.883   3.680  17.736
   91   2HB   SER  12          HB3       SER  12   1.065   1.968  18.159
   92    HG   SER  12           HG       SER  12   2.388   3.340  19.443
   93    H    ALA  13           H        ALA  13   0.742   4.409  15.073
   94    HA   ALA  13           HA       ALA  13  -1.620   2.930  14.361
   95   1HB   ALA  13          HB1       ALA  13  -1.678   5.379  14.723
   96   2HB   ALA  13          HB2       ALA  13  -0.602   5.616  13.325
   97   3HB   ALA  13          HB3       ALA  13  -2.229   4.952  13.092
   98    H    GLU  14           H        GLU  14   1.324   3.998  12.647
   99    HA   GLU  14           HA       GLU  14   0.515   3.042  10.099
  100   1HB   GLU  14          HB2       GLU  14   3.284   3.560  11.270
  101   2HB   GLU  14          HB3       GLU  14   3.043   3.035   9.609
  102   1HG   GLU  14          HG2       GLU  14   2.011   5.612  10.843
  103   2HG   GLU  14          HG3       GLU  14   3.333   5.442   9.686
  104    H    THR  15           H        THR  15   2.179   1.386  12.791
  105    HA   THR  15           HA       THR  15   2.617  -0.984  11.222
  106    HB   THR  15           HB       THR  15   3.481  -1.844  13.433
  107    HG1  THR  15           HG1      THR  15   3.308   0.864  14.213
  108   1HG2  THR  15          HG21      THR  15   4.632   0.720  12.233
  109   2HG2  THR  15          HG22      THR  15   5.479  -0.306  13.398
  110   3HG2  THR  15          HG23      THR  15   5.038  -0.956  11.813
  111    H    SER  16           H        SER  16  -0.250   0.111  12.350
  112    HA   SER  16           HA       SER  16  -1.160  -2.521  13.321
  113   1HB   SER  16          HB2       SER  16  -2.402   0.246  13.566
  114   2HB   SER  16          HB3       SER  16  -3.131  -1.254  14.167
  115    HG   SER  16           HG       SER  16  -0.768   0.037  15.032
  116    H    GLU  17           H        GLU  17  -0.609  -2.063  10.515
  117    HA   GLU  17           HA       GLU  17  -3.307  -2.670   9.411
  118   1HB   GLU  17          HB2       GLU  17  -1.288  -0.759   8.183
  119   2HB   GLU  17          HB3       GLU  17  -2.722  -1.404   7.362
  120   1HG   GLU  17          HG2       GLU  17  -4.124  -0.443   9.258
  121   2HG   GLU  17          HG3       GLU  17  -2.675   0.416   9.795
  122    H    GLY  18           H        GLY  18  -2.092  -4.781  10.143
  123   1HA   GLY  18          HA2       GLY  18  -1.838  -6.854   9.061
  124   2HA   GLY  18          HA3       GLY  18  -1.277  -6.042   7.596
  125    H    VAL  19           H        VAL  19   0.552  -7.455   7.534
  126    HA   VAL  19           HA       VAL  19   2.626  -7.270   9.604
  127    HB   VAL  19           HB       VAL  19   2.734  -8.347   6.748
  128   1HG1  VAL  19          HG11      VAL  19   4.798  -8.494   9.000
  129   2HG1  VAL  19          HG12      VAL  19   4.885  -9.407   7.480
  130   3HG1  VAL  19          HG13      VAL  19   5.000  -7.646   7.453
  131   1HG2  VAL  19          HG21      VAL  19   1.307  -9.730   8.231
  132   2HG2  VAL  19          HG22      VAL  19   2.816 -10.568   7.860
  133   3HG2  VAL  19          HG23      VAL  19   2.609  -9.788   9.440
  134    H    VAL  20           H        VAL  20   4.214  -5.760   9.638
  135    HA   VAL  20           HA       VAL  20   4.536  -3.859   7.397
  136    HB   VAL  20           HB       VAL  20   4.149  -3.110  10.336
  137   1HG1  VAL  20          HG11      VAL  20   5.720  -1.562   9.257
  138   2HG1  VAL  20          HG12      VAL  20   4.627  -1.377   7.871
  139   3HG1  VAL  20          HG13      VAL  20   4.168  -0.755   9.466
  140   1HG2  VAL  20          HG21      VAL  20   2.294  -2.852   7.925
  141   2HG2  VAL  20          HG22      VAL  20   1.959  -3.595   9.497
  142   3HG2  VAL  20          HG23      VAL  20   2.093  -1.846   9.357
  143    H    LEU  21           H        LEU  21   6.725  -3.210   7.222
  144    HA   LEU  21           HA       LEU  21   8.626  -4.570   9.094
  145   1HB   LEU  21          HB2       LEU  21   8.274  -5.667   6.861
  146   2HB   LEU  21          HB3       LEU  21   9.009  -4.245   6.102
  147    HG   LEU  21           HG       LEU  21  10.282  -6.125   8.150
  148   1HD1  LEU  21          HD11      LEU  21   9.941  -7.115   5.901
  149   2HD1  LEU  21          HD12      LEU  21  10.859  -5.773   5.182
  150   3HD1  LEU  21          HD13      LEU  21  11.654  -6.918   6.286
  151   1HD2  LEU  21          HD21      LEU  21  11.452  -3.692   6.751
  152   2HD2  LEU  21          HD22      LEU  21  11.402  -4.055   8.500
  153   3HD2  LEU  21          HD23      LEU  21  12.444  -4.993   7.435
  154    H    ALA  22           H        ALA  22   9.339  -2.976  10.328
  155    HA   ALA  22           HA       ALA  22   9.530  -0.242   9.292
  156   1HB   ALA  22          HB1       ALA  22   9.969  -1.471  12.035
  157   2HB   ALA  22          HB2       ALA  22  10.114   0.261  11.665
  158   3HB   ALA  22          HB3       ALA  22   8.538  -0.557  11.497
  159    H    ASP  23           H        ASP  23  11.492   0.871   9.217
  160    HA   ASP  23           HA       ASP  23  14.024  -0.721   9.311
  161   1HB   ASP  23          HB2       ASP  23  13.466  -0.472   7.001
  162   2HB   ASP  23          HB3       ASP  23  13.023   1.223   7.214
  163    H    PHE  24           H        PHE  24  14.707  -0.027  11.211
  164    HA   PHE  24           HA       PHE  24  14.621   2.763  12.112
  165   1HB   PHE  24          HB2       PHE  24  15.738   0.169  13.265
  166   2HB   PHE  24          HB3       PHE  24  16.034   1.742  13.976
  167    HD1  PHE  24           HD1      PHE  24  14.570   2.512  15.654
  168    HD2  PHE  24           HD2      PHE  24  13.124  -0.393  12.808
  169    HE1  PHE  24           HE1      PHE  24  12.345   2.563  16.722
  170    HE2  PHE  24           HE2      PHE  24  10.907  -0.337  13.903
  171    HZ   PHE  24           HZ       PHE  24  10.483   1.187  15.798
  172    H    TRP  25           H        TRP  25  15.992   4.142  11.226
  173    HA   TRP  25           HA       TRP  25  18.719   3.384  10.533
  174   1HB   TRP  25          HB2       TRP  25  18.427   3.201   8.348
  175   2HB   TRP  25          HB3       TRP  25  16.706   3.189   8.588
  176    HD1  TRP  25           HD1      TRP  25  19.426   5.110   6.944
  177    HE1  TRP  25           HE1      TRP  25  18.467   7.186   5.781
  178    HE3  TRP  25           HE3      TRP  25  14.864   5.305   9.213
  179    HZ2  TRP  25           HZ2      TRP  25  16.253   8.992   6.172
  180    HZ3  TRP  25           HZ3      TRP  25  13.411   7.318   8.935
  181    HH2  TRP  25           HH2      TRP  25  14.137   9.183   7.462
  182    H    ALA  26           H        ALA  26  19.639   5.637   9.379
  183    HA   ALA  26           HA       ALA  26  18.318   8.038  10.165
  184   1HB   ALA  26          HB1       ALA  26  20.226   8.952  11.513
  185   2HB   ALA  26          HB2       ALA  26  19.390   7.638  12.345
  186   3HB   ALA  26          HB3       ALA  26  20.945   7.320  11.540
  187    HA   PRO  27           HA       PRO  27  20.629   8.755   6.467
  188   1HB   PRO  27          HB2       PRO  27  20.863  11.667   7.122
  189   2HB   PRO  27          HB3       PRO  27  20.251  10.852   5.640
  190   1HG   PRO  27          HG2       PRO  27  18.539  11.938   7.503
  191   2HG   PRO  27          HG3       PRO  27  18.158  10.405   6.661
  192   1HD   PRO  27          HD2       PRO  27  19.275  10.786   9.446
  193   2HD   PRO  27          HD3       PRO  27  18.009   9.660   8.864
  194    H    TRP  28           H        TRP  28  22.236   9.505   9.493
  195    HA   TRP  28           HA       TRP  28  24.782  10.139   8.248
  196   1HB   TRP  28          HB2       TRP  28  25.757   9.804  10.416
  197   2HB   TRP  28          HB3       TRP  28  24.320  10.792  10.558
  198    HD1  TRP  28           HD1      TRP  28  22.420   9.938  12.098
  199    HE1  TRP  28           HE1      TRP  28  22.188   8.064  13.809
  200    HE3  TRP  28           HE3      TRP  28  26.524   7.156  10.800
  201    HZ2  TRP  28           HZ2      TRP  28  23.531   5.576  14.453
  202    HZ3  TRP  28           HZ3      TRP  28  26.994   5.018  11.952
  203    HH2  TRP  28           HH2      TRP  28  25.505   4.213  13.774
  204    H    CYS  29           H        CYS  29  22.921   7.267   8.627
  205    HA   CYS  29           HA       CYS  29  24.870   5.272   8.957
  206   1HB   CYS  29          HB2       CYS  29  22.319   5.189   9.180
  207   2HB   CYS  29          HB3       CYS  29  22.246   5.151   7.450
  208    H    GLY  30           H        GLY  30  25.557   3.674   7.323
  209   1HA   GLY  30          HA2       GLY  30  25.761   4.691   4.506
  210   2HA   GLY  30          HA3       GLY  30  27.035   3.778   5.316
  211    HA   PRO  31           HA       PRO  31  25.311  -0.151   4.314
  212   1HB   PRO  31          HB2       PRO  31  24.401  -0.675   7.146
  213   2HB   PRO  31          HB3       PRO  31  25.304  -1.756   6.045
  214   1HG   PRO  31          HG2       PRO  31  26.613  -0.396   7.980
  215   2HG   PRO  31          HG3       PRO  31  27.309  -0.477   6.328
  216   1HD   PRO  31          HD2       PRO  31  25.746   1.785   7.596
  217   2HD   PRO  31          HD3       PRO  31  27.232   1.857   6.602
  218    H    CYS  32           H        CYS  32  23.093   1.740   6.345
  219    HA   CYS  32           HA       CYS  32  20.604   0.603   5.771
  220   1HB   CYS  32          HB2       CYS  32  21.351   3.555   5.954
  221   2HB   CYS  32          HB3       CYS  32  19.746   2.912   6.139
  222    H    LYS  33           H        LYS  33  22.645   2.690   3.713
  223    HA   LYS  33           HA       LYS  33  20.498   3.117   1.804
  224   1HB   LYS  33          HB2       LYS  33  23.422   3.941   1.801
  225   2HB   LYS  33          HB3       LYS  33  22.220   4.475   0.618
  226   1HG   LYS  33          HG2       LYS  33  20.938   5.667   2.266
  227   2HG   LYS  33          HG3       LYS  33  21.788   4.907   3.609
  228   1HD   LYS  33          HD2       LYS  33  23.915   6.020   2.789
  229   2HD   LYS  33          HD3       LYS  33  22.879   7.019   1.742
  230   1HE   LYS  33          HE2       LYS  33  21.656   7.870   3.716
  231   2HE   LYS  33          HE3       LYS  33  22.457   6.670   4.753
  232   1HZ   LYS  33          HZ1       LYS  33  23.951   8.803   3.328
  233   2HZ   LYS  33          HZ2       LYS  33  23.430   8.921   4.884
  234   3HZ   LYS  33          HZ3       LYS  33  24.494   7.762   4.503
  235    H    MET  34           H        MET  34  22.886   0.652   2.315
  236    HA   MET  34           HA       MET  34  22.975  -0.244  -0.436
  237   1HB   MET  34          HB2       MET  34  23.477  -1.870   2.079
  238   2HB   MET  34          HB3       MET  34  23.941  -2.285   0.431
  239   1HG   MET  34          HG2       MET  34  25.431  -0.248   0.408
  240   2HG   MET  34          HG3       MET  34  25.062  -0.020   2.114
  241   1HE   MET  34          HE1       MET  34  25.273  -2.325   3.783
  242   2HE   MET  34          HE2       MET  34  25.060  -3.612   2.581
  243   3HE   MET  34          HE3       MET  34  26.556  -3.529   3.529
  244    H    ILE  35           H        ILE  35  21.107  -1.028   2.541
  245    HA   ILE  35           HA       ILE  35  19.555  -3.000   1.110
  246    HB   ILE  35           HB       ILE  35  20.175  -3.342   3.430
  247   1HG1  ILE  35          HG12      ILE  35  17.167  -3.278   2.999
  248   2HG1  ILE  35          HG13      ILE  35  18.274  -4.526   2.423
  249   1HG2  ILE  35          HG21      ILE  35  19.052  -2.164   5.276
  250   2HG2  ILE  35          HG22      ILE  35  20.023  -1.082   4.300
  251   3HG2  ILE  35          HG23      ILE  35  18.246  -1.094   4.105
  252   1HD1  ILE  35          HD11      ILE  35  17.570  -3.872   5.310
  253   2HD1  ILE  35          HD12      ILE  35  17.171  -5.330   4.395
  254   3HD1  ILE  35          HD13      ILE  35  18.854  -5.008   4.838
  255    H    ALA  36           H        ALA  36  19.115   0.461   1.773
  256    HA   ALA  36           HA       ALA  36  16.435   0.777   1.535
  257   1HB   ALA  36          HB1       ALA  36  17.937   2.634   1.892
  258   2HB   ALA  36          HB2       ALA  36  18.561   2.517   0.232
  259   3HB   ALA  36          HB3       ALA  36  16.875   2.985   0.518
  260    HA   PRO  37           HA       PRO  37  16.132   0.497  -3.211
  261   1HB   PRO  37          HB2       PRO  37  18.062  -0.832  -4.676
  262   2HB   PRO  37          HB3       PRO  37  18.036   0.937  -4.405
  263   1HG   PRO  37          HG2       PRO  37  19.583  -1.163  -2.859
  264   2HG   PRO  37          HG3       PRO  37  20.186   0.390  -3.524
  265   1HD   PRO  37          HD2       PRO  37  19.482   0.188  -0.933
  266   2HD   PRO  37          HD3       PRO  37  19.049   1.644  -1.865
  267    H    VAL  38           H        VAL  38  17.572  -2.094  -1.279
  268    HA   VAL  38           HA       VAL  38  16.214  -4.218  -2.673
  269    HB   VAL  38           HB       VAL  38  17.284  -4.337   0.163
  270   1HG1  VAL  38          HG11      VAL  38  15.942  -6.259  -0.670
  271   2HG1  VAL  38          HG12      VAL  38  17.062  -6.437  -2.039
  272   3HG1  VAL  38          HG13      VAL  38  17.628  -6.690  -0.363
  273   1HG2  VAL  38          HG21      VAL  38  18.856  -4.722  -2.431
  274   2HG2  VAL  38          HG22      VAL  38  19.147  -3.469  -1.207
  275   3HG2  VAL  38          HG23      VAL  38  19.423  -5.160  -0.804
  276    H    LEU  39           H        LEU  39  15.527  -2.126   0.213
  277    HA   LEU  39           HA       LEU  39  12.987  -3.325   0.735
  278   1HB   LEU  39          HB2       LEU  39  13.982  -0.503   1.286
  279   2HB   LEU  39          HB3       LEU  39  12.447  -1.140   1.858
  280    HG   LEU  39           HG       LEU  39  15.167  -2.299   2.560
  281   1HD1  LEU  39          HD11      LEU  39  14.808  -1.313   4.783
  282   2HD1  LEU  39          HD12      LEU  39  14.836  -0.064   3.530
  283   3HD1  LEU  39          HD13      LEU  39  13.285  -0.579   4.228
  284   1HD2  LEU  39          HD21      LEU  39  13.397  -4.024   2.676
  285   2HD2  LEU  39          HD22      LEU  39  13.942  -3.581   4.294
  286   3HD2  LEU  39          HD23      LEU  39  12.400  -2.949   3.678
  287    H    GLU  40           H        GLU  40  13.939  -0.691  -1.537
  288    HA   GLU  40           HA       GLU  40  11.274  -0.223  -2.427
  289   1HB   GLU  40          HB2       GLU  40  13.907   0.072  -3.914
  290   2HB   GLU  40          HB3       GLU  40  12.340   0.551  -4.567
  291   1HG   GLU  40          HG2       GLU  40  11.990   2.079  -2.644
  292   2HG   GLU  40          HG3       GLU  40  13.577   1.651  -2.008
  293    H    GLU  41           H        GLU  41  13.674  -2.655  -3.527
  294    HA   GLU  41           HA       GLU  41  11.989  -3.846  -5.486
  295   1HB   GLU  41          HB2       GLU  41  14.284  -4.897  -3.806
  296   2HB   GLU  41          HB3       GLU  41  13.395  -5.950  -4.892
  297   1HG   GLU  41          HG2       GLU  41  14.676  -3.362  -5.852
  298   2HG   GLU  41          HG3       GLU  41  15.551  -4.889  -5.769
  299    H    LEU  42           H        LEU  42  12.347  -4.499  -1.992
  300    HA   LEU  42           HA       LEU  42  10.538  -6.651  -1.860
  301   1HB   LEU  42          HB2       LEU  42  12.152  -5.927  -0.044
  302   2HB   LEU  42          HB3       LEU  42  11.098  -4.560   0.296
  303    HG   LEU  42           HG       LEU  42   9.232  -6.178   0.816
  304   1HD1  LEU  42          HD11      LEU  42  11.460  -8.238   0.486
  305   2HD1  LEU  42          HD12      LEU  42   9.912  -8.550   1.302
  306   3HD1  LEU  42          HD13      LEU  42   9.931  -8.144  -0.415
  307   1HD2  LEU  42          HD21      LEU  42  10.228  -6.893   3.007
  308   2HD2  LEU  42          HD22      LEU  42  11.808  -6.320   2.418
  309   3HD2  LEU  42          HD23      LEU  42  10.471  -5.184   2.617
  310    H    ASP  43           H        ASP  43   9.970  -3.121  -1.550
  311    HA   ASP  43           HA       ASP  43   7.213  -3.225  -0.979
  312   1HB   ASP  43          HB2       ASP  43   8.686  -1.173  -0.896
  313   2HB   ASP  43          HB3       ASP  43   8.639  -1.128  -2.670
  314    H    GLN  44           H        GLN  44   8.957  -3.144  -4.084
  315    HA   GLN  44           HA       GLN  44   6.569  -3.139  -5.678
  316   1HB   GLN  44          HB2       GLN  44   9.489  -3.675  -6.308
  317   2HB   GLN  44          HB3       GLN  44   8.226  -3.621  -7.544
  318   1HG   GLN  44          HG2       GLN  44   7.680  -1.326  -7.047
  319   2HG   GLN  44          HG3       GLN  44   8.685  -1.308  -5.599
  320   1HE2  GLN  44          HE22      GLN  44  11.003  -1.473  -5.841
  321   2HE2  GLN  44          HE21      GLN  44  11.801  -0.939  -7.320
  322    H    GLU  45           H        GLU  45   8.024  -5.676  -3.905
  323    HA   GLU  45           HA       GLU  45   6.951  -7.810  -5.656
  324   1HB   GLU  45          HB2       GLU  45   8.921  -7.737  -3.341
  325   2HB   GLU  45          HB3       GLU  45   8.279  -9.248  -3.973
  326   1HG   GLU  45          HG2       GLU  45   9.673  -7.233  -5.773
  327   2HG   GLU  45          HG3       GLU  45  10.549  -8.468  -4.872
  328    H    MET  46           H        MET  46   6.527  -6.298  -2.484
  329    HA   MET  46           HA       MET  46   4.348  -8.261  -1.877
  330   1HB   MET  46          HB2       MET  46   6.276  -6.987   0.094
  331   2HB   MET  46          HB3       MET  46   5.071  -8.238   0.405
  332   1HG   MET  46          HG2       MET  46   6.438  -9.609  -1.397
  333   2HG   MET  46          HG3       MET  46   7.712  -8.442  -1.032
  334   1HE   MET  46          HE1       MET  46   6.066 -11.672  -0.227
  335   2HE   MET  46          HE2       MET  46   6.067 -11.843   1.545
  336   3HE   MET  46          HE3       MET  46   4.979 -10.662   0.765
  337    H    GLY  47           H        GLY  47   4.815  -4.942  -2.435
  338   1HA   GLY  47          HA2       GLY  47   3.674  -3.632  -0.320
  339   2HA   GLY  47          HA3       GLY  47   3.530  -3.120  -2.004
  340    H    ASP  48           H        ASP  48   1.905  -5.797  -2.354
  341    HA   ASP  48           HA       ASP  48  -0.740  -4.690  -2.075
  342   1HB   ASP  48          HB2       ASP  48  -0.195  -6.256  -3.865
  343   2HB   ASP  48          HB3       ASP  48   0.273  -7.489  -2.689
  344    H    LYS  49           H        LYS  49   1.333  -6.797  -0.147
  345    HA   LYS  49           HA       LYS  49  -0.776  -7.138   1.943
  346   1HB   LYS  49          HB2       LYS  49   1.643  -8.851   1.164
  347   2HB   LYS  49          HB3       LYS  49   0.645  -9.149   2.581
  348   1HG   LYS  49          HG2       LYS  49  -0.458  -9.110  -0.256
  349   2HG   LYS  49          HG3       LYS  49   0.117 -10.566   0.560
  350   1HD   LYS  49          HD2       LYS  49  -1.523 -10.276   2.363
  351   2HD   LYS  49          HD3       LYS  49  -2.166  -8.815   1.609
  352   1HE   LYS  49          HE2       LYS  49  -2.081 -11.481   0.150
  353   2HE   LYS  49          HE3       LYS  49  -3.394 -11.073   1.259
  354   1HZ   LYS  49          HZ1       LYS  49  -3.910 -10.519  -1.050
  355   2HZ   LYS  49          HZ2       LYS  49  -3.959  -9.201  -0.098
  356   3HZ   LYS  49          HZ3       LYS  49  -2.697  -9.421  -1.114
  357    H    LEU  50           H        LEU  50   2.341  -5.753   1.237
  358    HA   LEU  50           HA       LEU  50   3.015  -5.602   4.113
  359   1HB   LEU  50          HB2       LEU  50   4.495  -6.859   2.525
  360   2HB   LEU  50          HB3       LEU  50   4.710  -5.377   1.592
  361    HG   LEU  50           HG       LEU  50   5.866  -4.316   3.508
  362   1HD1  LEU  50          HD11      LEU  50   6.563  -5.737   5.429
  363   2HD1  LEU  50          HD12      LEU  50   4.821  -5.498   5.402
  364   3HD1  LEU  50          HD13      LEU  50   5.502  -7.035   4.842
  365   1HD2  LEU  50          HD21      LEU  50   7.908  -5.691   3.395
  366   2HD2  LEU  50          HD22      LEU  50   6.969  -7.005   2.644
  367   3HD2  LEU  50          HD23      LEU  50   7.155  -5.448   1.811
  368    H    LYS  51           H        LYS  51   3.968  -3.695   4.924
  369    HA   LYS  51           HA       LYS  51   3.941  -1.230   3.290
  370   1HB   LYS  51          HB2       LYS  51   1.933  -1.160   4.811
  371   2HB   LYS  51          HB3       LYS  51   2.986  -1.499   6.184
  372   1HG   LYS  51          HG2       LYS  51   4.257   0.666   5.570
  373   2HG   LYS  51          HG3       LYS  51   2.932   1.011   4.459
  374   1HD   LYS  51          HD2       LYS  51   2.692   0.556   7.471
  375   2HD   LYS  51          HD3       LYS  51   2.755   2.132   6.681
  376   1HE   LYS  51          HE2       LYS  51   0.664   1.580   5.427
  377   2HE   LYS  51          HE3       LYS  51   0.574   0.030   6.284
  378   1HZ   LYS  51          HZ1       LYS  51   0.427   1.251   8.350
  379   2HZ   LYS  51          HZ2       LYS  51   0.545   2.699   7.572
  380   3HZ   LYS  51          HZ3       LYS  51  -0.785   1.749   7.345
  381    H    ILE  52           H        ILE  52   5.838   0.008   3.824
  382    HA   ILE  52           HA       ILE  52   7.737  -1.340   5.683
  383    HB   ILE  52           HB       ILE  52   8.319  -0.033   3.012
  384   1HG1  ILE  52          HG12      ILE  52   8.653  -2.916   3.962
  385   2HG1  ILE  52          HG13      ILE  52   7.435  -2.331   2.829
  386   1HG2  ILE  52          HG21      ILE  52  10.694  -0.511   3.419
  387   2HG2  ILE  52          HG22      ILE  52  10.079   0.539   4.680
  388   3HG2  ILE  52          HG23      ILE  52  10.309  -1.194   5.013
  389   1HD1  ILE  52          HD11      ILE  52   9.088  -3.371   1.513
  390   2HD1  ILE  52          HD12      ILE  52   9.302  -1.625   1.280
  391   3HD1  ILE  52          HD13      ILE  52  10.412  -2.531   2.334
  392    H    VAL  53           H        VAL  53   8.690   0.107   7.171
  393    HA   VAL  53           HA       VAL  53   7.691   2.939   7.008
  394    HB   VAL  53           HB       VAL  53   7.403   0.994   9.335
  395   1HG1  VAL  53          HG11      VAL  53   6.275   2.885  10.504
  396   2HG1  VAL  53          HG12      VAL  53   7.976   3.248  10.207
  397   3HG1  VAL  53          HG13      VAL  53   6.728   3.974   9.170
  398   1HG2  VAL  53          HG21      VAL  53   5.330   2.474   7.661
  399   2HG2  VAL  53          HG22      VAL  53   5.662   0.736   7.615
  400   3HG2  VAL  53          HG23      VAL  53   4.995   1.465   9.078
  401    H    LYS  54           H        LYS  54   9.599   3.997   6.633
  402    HA   LYS  54           HA       LYS  54  12.051   3.204   8.058
  403   1HB   LYS  54          HB2       LYS  54  11.483   5.694   6.390
  404   2HB   LYS  54          HB3       LYS  54  13.067   5.155   6.976
  405   1HG   LYS  54          HG2       LYS  54  12.829   3.061   5.625
  406   2HG   LYS  54          HG3       LYS  54  11.283   3.645   5.004
  407   1HD   LYS  54          HD2       LYS  54  13.023   4.020   3.372
  408   2HD   LYS  54          HD3       LYS  54  12.398   5.574   3.948
  409   1HE   LYS  54          HE2       LYS  54  14.340   5.846   5.430
  410   2HE   LYS  54          HE3       LYS  54  14.923   4.225   5.010
  411   1HZ   LYS  54          HZ1       LYS  54  16.099   5.933   3.774
  412   2HZ   LYS  54          HZ2       LYS  54  15.253   5.008   2.735
  413   3HZ   LYS  54          HZ3       LYS  54  14.719   6.504   3.119
  414    H    ILE  55           H        ILE  55  12.834   4.185   9.944
  415    HA   ILE  55           HA       ILE  55  11.476   6.601  10.930
  416    HB   ILE  55           HB       ILE  55  10.150   4.924  11.920
  417   1HG1  ILE  55          HG12      ILE  55  12.067   5.832  14.100
  418   2HG1  ILE  55          HG13      ILE  55  10.970   6.930  13.261
  419   1HG2  ILE  55          HG21      ILE  55  12.627   3.593  13.085
  420   2HG2  ILE  55          HG22      ILE  55  10.945   3.127  13.378
  421   3HG2  ILE  55          HG23      ILE  55  11.630   2.940  11.766
  422   1HD1  ILE  55          HD11      ILE  55   9.023   5.590  14.006
  423   2HD1  ILE  55          HD12      ILE  55  10.120   4.527  14.923
  424   3HD1  ILE  55          HD13      ILE  55   9.966   6.235  15.357
  425    H    ASP  56           H        ASP  56  12.833   8.016  11.699
  426    HA   ASP  56           HA       ASP  56  15.679   7.490  11.383
  427   1HB   ASP  56          HB2       ASP  56  14.667   9.462  10.389
  428   2HB   ASP  56          HB3       ASP  56  14.156  10.040  11.976
  429    H    VAL  57           H        VAL  57  16.639   6.518  13.151
  430    HA   VAL  57           HA       VAL  57  15.550   6.622  15.762
  431    HB   VAL  57           HB       VAL  57  17.558   5.498  16.511
  432   1HG1  VAL  57          HG11      VAL  57  16.727   4.417  13.787
  433   2HG1  VAL  57          HG12      VAL  57  17.358   3.503  15.175
  434   3HG1  VAL  57          HG13      VAL  57  15.768   4.287  15.272
  435   1HG2  VAL  57          HG21      VAL  57  18.745   5.915  13.736
  436   2HG2  VAL  57          HG22      VAL  57  19.315   6.696  15.225
  437   3HG2  VAL  57          HG23      VAL  57  19.431   4.943  15.045
  438    H    ASP  58           H        ASP  58  17.639   8.959  14.160
  439    HA   ASP  58           HA       ASP  58  18.909   9.978  16.536
  440   1HB   ASP  58          HB2       ASP  58  19.747  10.356  14.228
  441   2HB   ASP  58          HB3       ASP  58  18.336  11.372  13.898
  442    H    GLU  59           H        GLU  59  15.691  10.270  15.303
  443    HA   GLU  59           HA       GLU  59  15.067  12.462  17.246
  444   1HB   GLU  59          HB2       GLU  59  13.775  11.784  14.575
  445   2HB   GLU  59          HB3       GLU  59  13.183  13.002  15.714
  446   1HG   GLU  59          HG2       GLU  59  15.440  14.157  15.523
  447   2HG   GLU  59          HG3       GLU  59  15.806  13.074  14.178
  448    H    ASN  60           H        ASN  60  14.992   9.229  17.054
  449    HA   ASN  60           HA       ASN  60  12.348   8.917  18.383
  450   1HB   ASN  60          HB2       ASN  60  13.242   7.342  15.930
  451   2HB   ASN  60          HB3       ASN  60  11.886   6.917  16.960
  452   1HD2  ASN  60          HD21      ASN  60  12.968   9.082  14.450
  453   2HD2  ASN  60          HD22      ASN  60  11.440   9.912  14.226
  454    H    GLN  61           H        GLN  61  14.832   9.037  19.587
  455    HA   GLN  61           HA       GLN  61  16.140   6.572  20.045
  456   1HB   GLN  61          HB2       GLN  61  15.702   9.010  21.816
  457   2HB   GLN  61          HB3       GLN  61  16.740   7.660  22.272
  458   1HG   GLN  61          HG2       GLN  61  17.141   9.312  19.741
  459   2HG   GLN  61          HG3       GLN  61  17.953   9.625  21.272
  460   1HE2  GLN  61          HE22      GLN  61  17.949   7.675  18.399
  461   2HE2  GLN  61          HE21      GLN  61  19.328   6.663  18.816
  462    H    GLU  62           H        GLU  62  13.085   7.897  21.313
  463    HA   GLU  62           HA       GLU  62  12.750   6.073  23.454
  464   1HB   GLU  62          HB2       GLU  62  10.555   7.417  21.796
  465   2HB   GLU  62          HB3       GLU  62  10.428   6.765  23.424
  466   1HG   GLU  62          HG2       GLU  62  10.663   8.926  24.006
  467   2HG   GLU  62          HG3       GLU  62  12.377   8.548  23.927
  468    H    THR  63           H        THR  63  11.466   5.970  20.041
  469    HA   THR  63           HA       THR  63  10.208   3.465  20.354
  470    HB   THR  63           HB       THR  63  11.270   4.339  17.722
  471    HG1  THR  63           HG1      THR  63   9.682   6.004  17.604
  472   1HG2  THR  63          HG21      THR  63   9.624   2.480  17.904
  473   2HG2  THR  63          HG22      THR  63   8.442   3.614  18.584
  474   3HG2  THR  63          HG23      THR  63   9.027   3.810  16.912
  475    H    ALA  64           H        ALA  64  13.490   4.398  19.194
  476    HA   ALA  64           HA       ALA  64  14.399   1.781  18.551
  477   1HB   ALA  64          HB1       ALA  64  15.917   4.195  19.674
  478   2HB   ALA  64          HB2       ALA  64  16.678   2.780  18.941
  479   3HB   ALA  64          HB3       ALA  64  15.646   3.835  17.955
  480    H    GLY  65           H        GLY  65  14.522   3.575  21.680
  481   1HA   GLY  65          HA2       GLY  65  15.718   1.547  23.235
  482   2HA   GLY  65          HA3       GLY  65  14.666   2.850  23.820
  483    H    LYS  66           H        LYS  66  12.356   1.950  22.153
  484    HA   LYS  66           HA       LYS  66  11.018   0.343  23.985
  485   1HB   LYS  66          HB2       LYS  66  10.119   1.845  22.037
  486   2HB   LYS  66          HB3       LYS  66  10.381   0.452  21.012
  487   1HG   LYS  66          HG2       LYS  66   8.078   0.529  21.623
  488   2HG   LYS  66          HG3       LYS  66   8.802  -0.889  22.380
  489   1HD   LYS  66          HD2       LYS  66   8.893   0.292  24.553
  490   2HD   LYS  66          HD3       LYS  66   8.280   1.774  23.784
  491   1HE   LYS  66          HE2       LYS  66   6.193   0.569  23.163
  492   2HE   LYS  66          HE3       LYS  66   6.812  -0.902  23.925
  493   1HZ   LYS  66          HZ1       LYS  66   5.320   0.294  25.393
  494   2HZ   LYS  66          HZ2       LYS  66   6.810   0.277  26.049
  495   3HZ   LYS  66          HZ3       LYS  66   6.239   1.637  25.344
  496    H    TYR  67           H        TYR  67  13.049  -0.648  21.244
  497    HA   TYR  67           HA       TYR  67  12.576  -3.501  22.021
  498   1HB   TYR  67          HB2       TYR  67  13.519  -2.748  19.288
  499   2HB   TYR  67          HB3       TYR  67  12.601  -4.151  19.804
  500    HD1  TYR  67           HD1      TYR  67  12.501  -0.861  18.358
  501    HD2  TYR  67           HD2      TYR  67  10.098  -3.697  20.550
  502    HE1  TYR  67           HE1      TYR  67  10.509   0.433  17.821
  503    HE2  TYR  67           HE2      TYR  67   8.056  -2.431  19.950
  504    HH   TYR  67           HH       TYR  67   7.200  -0.535  18.898
  505    H    GLY  68           H        GLY  68  14.740  -1.264  22.713
  506   1HA   GLY  68          HA2       GLY  68  16.959  -1.234  23.207
  507   2HA   GLY  68          HA3       GLY  68  16.954  -3.001  23.073
  508    H    VAL  69           H        VAL  69  16.132  -0.758  20.397
  509    HA   VAL  69           HA       VAL  69  18.167  -1.868  18.640
  510    HB   VAL  69           HB       VAL  69  16.454   0.638  18.359
  511   1HG1  VAL  69          HG11      VAL  69  16.900   0.365  15.920
  512   2HG1  VAL  69          HG12      VAL  69  18.358   0.732  16.845
  513   3HG1  VAL  69          HG13      VAL  69  18.056  -0.929  16.305
  514   1HG2  VAL  69          HG21      VAL  69  14.964  -1.242  18.540
  515   2HG2  VAL  69          HG22      VAL  69  15.021  -0.754  16.853
  516   3HG2  VAL  69          HG23      VAL  69  15.923  -2.193  17.386
  517    H    MET  70           H        MET  70  20.272  -1.303  18.736
  518    HA   MET  70           HA       MET  70  21.091   1.386  19.735
  519   1HB   MET  70          HB2       MET  70  22.215  -1.330  20.533
  520   2HB   MET  70          HB3       MET  70  22.984   0.217  20.910
  521   1HG   MET  70          HG2       MET  70  20.979   0.927  22.170
  522   2HG   MET  70          HG3       MET  70  20.231  -0.639  21.855
  523   1HE   MET  70          HE1       MET  70  19.722  -1.030  24.377
  524   2HE   MET  70          HE2       MET  70  20.925  -0.856  25.672
  525   3HE   MET  70          HE3       MET  70  20.417   0.568  24.737
  526    H    SER  71           H        SER  71  21.000  -0.496  17.091
  527    HA   SER  71           HA       SER  71  23.374   0.645  15.879
  528   1HB   SER  71          HB2       SER  71  22.715  -2.338  15.714
  529   2HB   SER  71          HB3       SER  71  24.032  -1.508  14.873
  530    HG   SER  71           HG       SER  71  24.740  -2.605  16.760
  531    H    ILE  72           H        ILE  72  23.110   0.462  13.442
  532    HA   ILE  72           HA       ILE  72  20.431  -0.194  12.504
  533    HB   ILE  72           HB       ILE  72  20.247   1.948  11.267
  534   1HG1  ILE  72          HG12      ILE  72  22.378   3.046  13.150
  535   2HG1  ILE  72          HG13      ILE  72  22.659   2.647  11.452
  536   1HG2  ILE  72          HG21      ILE  72  19.016   1.450  13.414
  537   2HG2  ILE  72          HG22      ILE  72  20.238   2.409  14.272
  538   3HG2  ILE  72          HG23      ILE  72  19.197   3.165  13.049
  539   1HD1  ILE  72          HD11      ILE  72  22.253   5.018  11.630
  540   2HD1  ILE  72          HD12      ILE  72  20.899   4.254  10.780
  541   3HD1  ILE  72          HD13      ILE  72  20.717   4.756  12.476
  542    HA   PRO  73           HA       PRO  73  19.508   0.295  10.099
  543   1HB   PRO  73          HB2       PRO  73  18.995  -1.635   8.231
  544   2HB   PRO  73          HB3       PRO  73  19.677  -0.037   7.830
  545   1HG   PRO  73          HG2       PRO  73  21.139  -2.659   8.208
  546   2HG   PRO  73          HG3       PRO  73  21.366  -1.448   6.910
  547   1HD   PRO  73          HD2       PRO  73  22.998  -1.576   9.108
  548   2HD   PRO  73          HD3       PRO  73  22.582  -0.018   8.338
  549    H    THR  74           H        THR  74  17.887  -0.664  11.241
  550    HA   THR  74           HA       THR  74  18.158  -3.539  11.971
  551    HB   THR  74           HB       THR  74  17.583  -1.223  13.853
  552    HG1  THR  74           HG1      THR  74  19.562  -1.591  14.375
  553   1HG2  THR  74          HG21      THR  74  15.991  -2.917  14.472
  554   2HG2  THR  74          HG22      THR  74  17.173  -4.220  14.256
  555   3HG2  THR  74          HG23      THR  74  17.347  -3.070  15.595
  556    H    LEU  75           H        LEU  75  16.222  -4.637  11.979
  557    HA   LEU  75           HA       LEU  75  14.023  -3.218  10.570
  558   1HB   LEU  75          HB2       LEU  75  15.052  -6.047  10.197
  559   2HB   LEU  75          HB3       LEU  75  13.677  -5.340   9.367
  560    HG   LEU  75           HG       LEU  75  16.589  -4.464   9.092
  561   1HD1  LEU  75          HD11      LEU  75  14.759  -5.926   7.141
  562   2HD1  LEU  75          HD12      LEU  75  16.445  -5.444   6.852
  563   3HD1  LEU  75          HD13      LEU  75  16.077  -6.662   8.076
  564   1HD2  LEU  75          HD21      LEU  75  15.207  -2.518   8.723
  565   2HD2  LEU  75          HD22      LEU  75  15.806  -3.092   7.168
  566   3HD2  LEU  75          HD23      LEU  75  14.125  -3.415   7.642
  567    H    LEU  76           H        LEU  76  12.086  -3.402  11.589
  568    HA   LEU  76           HA       LEU  76  11.764  -5.528  13.698
  569   1HB   LEU  76          HB2       LEU  76  10.907  -2.614  13.685
  570   2HB   LEU  76          HB3       LEU  76   9.972  -3.817  14.545
  571    HG   LEU  76           HG       LEU  76  11.521  -2.511  15.989
  572   1HD1  LEU  76          HD11      LEU  76  12.356  -4.469  17.258
  573   2HD1  LEU  76          HD12      LEU  76  10.689  -4.687  16.714
  574   3HD1  LEU  76          HD13      LEU  76  12.006  -5.526  15.878
  575   1HD2  LEU  76          HD21      LEU  76  13.777  -4.086  14.717
  576   2HD2  LEU  76          HD22      LEU  76  13.422  -2.389  14.356
  577   3HD2  LEU  76          HD23      LEU  76  13.874  -2.872  16.004
  578    H    VAL  77           H        VAL  77  10.261  -6.933  13.067
  579    HA   VAL  77           HA       VAL  77   8.451  -6.175  10.818
  580    HB   VAL  77           HB       VAL  77   8.720  -8.946  12.020
  581   1HG1  VAL  77          HG11      VAL  77   7.842  -7.952   9.269
  582   2HG1  VAL  77          HG12      VAL  77   7.798  -9.632   9.847
  583   3HG1  VAL  77          HG13      VAL  77   6.749  -8.412  10.586
  584   1HG2  VAL  77          HG21      VAL  77  10.208  -9.582  10.170
  585   2HG2  VAL  77          HG22      VAL  77  10.365  -7.879   9.686
  586   3HG2  VAL  77          HG23      VAL  77  10.999  -8.438  11.251
  587    H    LEU  78           H        LEU  78   6.442  -5.561  11.505
  588    HA   LEU  78           HA       LEU  78   5.557  -6.394  14.221
  589   1HB   LEU  78          HB2       LEU  78   4.963  -3.754  12.803
  590   2HB   LEU  78          HB3       LEU  78   4.147  -4.351  14.238
  591    HG   LEU  78           HG       LEU  78   6.677  -4.521  15.166
  592   1HD1  LEU  78          HD11      LEU  78   6.792  -2.192  13.211
  593   2HD1  LEU  78          HD12      LEU  78   7.971  -2.531  14.492
  594   3HD1  LEU  78          HD13      LEU  78   7.764  -3.664  13.151
  595   1HD2  LEU  78          HD21      LEU  78   5.100  -1.927  15.164
  596   2HD2  LEU  78          HD22      LEU  78   4.820  -3.304  16.245
  597   3HD2  LEU  78          HD23      LEU  78   6.347  -2.420  16.324
  598    H    LYS  79           H        LYS  79   3.291  -6.825  14.347
  599    HA   LYS  79           HA       LYS  79   1.857  -7.022  11.772
  600   1HB   LYS  79          HB2       LYS  79   2.853  -9.252  12.164
  601   2HB   LYS  79          HB3       LYS  79   2.058  -9.340  13.750
  602   1HG   LYS  79          HG2       LYS  79  -0.145  -9.207  12.641
  603   2HG   LYS  79          HG3       LYS  79   0.657  -9.013  11.064
  604   1HD   LYS  79          HD2       LYS  79   1.631 -11.267  11.266
  605   2HD   LYS  79          HD3       LYS  79   0.854 -11.474  12.855
  606   1HE   LYS  79          HE2       LYS  79  -1.372 -11.245  11.839
  607   2HE   LYS  79          HE3       LYS  79  -0.652 -10.881  10.265
  608   1HZ   LYS  79          HZ1       LYS  79  -1.359 -13.178  10.401
  609   2HZ   LYS  79          HZ2       LYS  79   0.263 -13.095  10.204
  610   3HZ   LYS  79          HZ3       LYS  79  -0.379 -13.469  11.674
  611    H    ASP  80           H        ASP  80   0.077  -5.909  12.052
  612    HA   ASP  80           HA       ASP  80  -1.667  -4.835  12.957
  613   1HB   ASP  80          HB2       ASP  80  -2.475  -7.157  12.892
  614   2HB   ASP  80          HB3       ASP  80  -1.960  -7.391  14.564
  615    H    GLY  81           H        GLY  81   0.744  -4.045  14.093
  616   1HA   GLY  81          HA2       GLY  81   0.951  -2.209  15.475
  617   2HA   GLY  81          HA3       GLY  81  -0.325  -2.802  16.532
  618    H    GLU  82           H        GLU  82   1.687  -5.490  16.276
  619    HA   GLU  82           HA       GLU  82   3.500  -4.546  18.439
  620   1HB   GLU  82          HB2       GLU  82   2.977  -6.452  19.725
  621   2HB   GLU  82          HB3       GLU  82   1.445  -5.717  19.221
  622   1HG   GLU  82          HG2       GLU  82   1.164  -7.443  17.485
  623   2HG   GLU  82          HG3       GLU  82   2.691  -8.194  17.959
  624    H    VAL  83           H        VAL  83   5.498  -5.786  18.644
  625    HA   VAL  83           HA       VAL  83   6.668  -6.404  16.100
  626    HB   VAL  83           HB       VAL  83   7.719  -7.027  18.884
  627   1HG1  VAL  83          HG11      VAL  83   9.944  -6.945  17.755
  628   2HG1  VAL  83          HG12      VAL  83   8.947  -8.251  17.124
  629   3HG1  VAL  83          HG13      VAL  83   9.138  -6.756  16.182
  630   1HG2  VAL  83          HG21      VAL  83   8.128  -4.565  17.117
  631   2HG2  VAL  83          HG22      VAL  83   7.279  -4.607  18.679
  632   3HG2  VAL  83          HG23      VAL  83   9.011  -4.925  18.611
  633    H    VAL  84           H        VAL  84   6.835  -8.178  15.031
  634    HA   VAL  84           HA       VAL  84   6.041 -10.753  16.260
  635    HB   VAL  84           HB       VAL  84   4.471  -9.608  14.575
  636   1HG1  VAL  84          HG11      VAL  84   4.879 -10.121  12.192
  637   2HG1  VAL  84          HG12      VAL  84   6.032  -8.958  12.846
  638   3HG1  VAL  84          HG13      VAL  84   6.521 -10.646  12.584
  639   1HG2  VAL  84          HG21      VAL  84   5.300 -12.484  14.178
  640   2HG2  VAL  84          HG22      VAL  84   4.114 -11.852  15.334
  641   3HG2  VAL  84          HG23      VAL  84   3.781 -11.743  13.600
  642    H    GLU  85           H        GLU  85   8.597  -8.952  14.541
  643    HA   GLU  85           HA       GLU  85  10.388 -11.071  15.300
  644   1HB   GLU  85          HB2       GLU  85   9.406 -11.136  12.567
  645   2HB   GLU  85          HB3       GLU  85  11.090 -10.681  12.519
  646   1HG   GLU  85          HG2       GLU  85  10.038 -13.154  13.957
  647   2HG   GLU  85          HG3       GLU  85  10.671 -13.125  12.316
  648    H    THR  86           H        THR  86  12.717 -10.459  14.684
  649    HA   THR  86           HA       THR  86  13.117  -7.577  14.102
  650    HB   THR  86           HB       THR  86  14.615  -9.083  16.278
  651    HG1  THR  86           HG1      THR  86  12.450  -8.813  16.894
  652   1HG2  THR  86          HG21      THR  86  15.226  -6.774  17.044
  653   2HG2  THR  86          HG22      THR  86  15.867  -7.164  15.446
  654   3HG2  THR  86          HG23      THR  86  14.440  -6.119  15.592
  655    H    SER  87           H        SER  87  15.137  -7.208  12.983
  656    HA   SER  87           HA       SER  87  17.103  -9.348  12.710
  657   1HB   SER  87          HB2       SER  87  15.566  -8.219  10.327
  658   2HB   SER  87          HB3       SER  87  17.102  -9.091  10.184
  659    HG   SER  87           HG       SER  87  15.175 -10.325  11.730
  660    H    VAL  88           H        VAL  88  19.158  -8.414  11.781
  661    HA   VAL  88           HA       VAL  88  19.290  -5.446  11.922
  662    HB   VAL  88           HB       VAL  88  21.171  -7.376  13.324
  663   1HG1  VAL  88          HG11      VAL  88  22.073  -5.306  14.403
  664   2HG1  VAL  88          HG12      VAL  88  22.337  -5.328  12.662
  665   3HG1  VAL  88          HG13      VAL  88  21.036  -4.328  13.344
  666   1HG2  VAL  88          HG21      VAL  88  19.053  -7.333  14.574
  667   2HG2  VAL  88          HG22      VAL  88  20.289  -6.443  15.455
  668   3HG2  VAL  88          HG23      VAL  88  19.053  -5.556  14.542
  669    H    GLY  89           H        GLY  89  20.894  -4.547  10.560
  670   1HA   GLY  89          HA2       GLY  89  22.602  -4.488   9.019
  671   2HA   GLY  89          HA3       GLY  89  22.867  -6.220   9.235
  672    H    PHE  90           H        PHE  90  23.202  -5.805   6.817
  673    HA   PHE  90           HA       PHE  90  21.006  -5.329   5.064
  674   1HB   PHE  90          HB2       PHE  90  23.396  -5.041   4.481
  675   2HB   PHE  90          HB3       PHE  90  23.651  -6.775   4.621
  676    HD1  PHE  90           HD1      PHE  90  22.809  -8.333   2.887
  677    HD2  PHE  90           HD2      PHE  90  22.242  -4.067   2.546
  678    HE1  PHE  90           HE1      PHE  90  22.163  -8.606   0.508
  679    HE2  PHE  90           HE2      PHE  90  21.615  -4.349   0.159
  680    HZ   PHE  90           HZ       PHE  90  21.564  -6.616  -0.858
  681    H    LYS  91           H        LYS  91  19.780  -6.805   3.794
  682    HA   LYS  91           HA       LYS  91  20.223  -9.651   3.970
  683   1HB   LYS  91          HB2       LYS  91  17.642  -8.402   5.028
  684   2HB   LYS  91          HB3       LYS  91  17.612  -9.934   4.171
  685   1HG   LYS  91          HG2       LYS  91  17.898 -10.878   6.164
  686   2HG   LYS  91          HG3       LYS  91  19.596 -10.534   5.893
  687   1HD   LYS  91          HD2       LYS  91  19.052  -8.251   7.161
  688   2HD   LYS  91          HD3       LYS  91  17.576  -9.093   7.638
  689   1HE   LYS  91          HE2       LYS  91  19.009  -9.669   9.403
  690   2HE   LYS  91          HE3       LYS  91  19.178 -11.055   8.321
  691   1HZ   LYS  91          HZ1       LYS  91  21.155  -9.583   7.411
  692   2HZ   LYS  91          HZ2       LYS  91  21.056  -8.901   8.904
  693   3HZ   LYS  91          HZ3       LYS  91  21.355 -10.500   8.773
  694    HA   PRO  92           HA       PRO  92  19.017  -8.738  -0.251
  695   1HB   PRO  92          HB2       PRO  92  18.745 -11.254  -1.294
  696   2HB   PRO  92          HB3       PRO  92  20.332 -10.558  -0.849
  697   1HG   PRO  92          HG2       PRO  92  18.594 -12.423   0.793
  698   2HG   PRO  92          HG3       PRO  92  20.345 -12.566   0.445
  699   1HD   PRO  92          HD2       PRO  92  19.413 -11.467   2.766
  700   2HD   PRO  92          HD3       PRO  92  20.884 -10.846   1.962
  701    H    LYS  93           H        LYS  93  17.152  -8.968  -1.691
  702    HA   LYS  93           HA       LYS  93  14.692  -8.683  -0.370
  703   1HB   LYS  93          HB2       LYS  93  13.678  -8.661  -2.604
  704   2HB   LYS  93          HB3       LYS  93  15.084  -7.623  -2.460
  705   1HG   LYS  93          HG2       LYS  93  16.408  -9.614  -3.552
  706   2HG   LYS  93          HG3       LYS  93  14.801 -10.230  -3.982
  707   1HD   LYS  93          HD2       LYS  93  14.327  -8.013  -5.084
  708   2HD   LYS  93          HD3       LYS  93  15.988  -7.504  -4.683
  709   1HE   LYS  93          HE2       LYS  93  16.783  -9.564  -5.989
  710   2HE   LYS  93          HE3       LYS  93  15.104  -9.795  -6.495
  711   1HZ   LYS  93          HZ1       LYS  93  15.236  -7.484  -7.450
  712   2HZ   LYS  93          HZ2       LYS  93  16.842  -7.490  -7.134
  713   3HZ   LYS  93          HZ3       LYS  93  16.225  -8.574  -8.179
  714    H    GLU  94           H        GLU  94  16.080 -11.625  -1.741
  715    HA   GLU  94           HA       GLU  94  13.689 -13.182  -1.617
  716   1HB   GLU  94          HB2       GLU  94  16.619 -14.005  -1.428
  717   2HB   GLU  94          HB3       GLU  94  15.262 -15.134  -1.577
  718   1HG   GLU  94          HG2       GLU  94  14.607 -14.050  -3.725
  719   2HG   GLU  94          HG3       GLU  94  16.003 -12.977  -3.604
  720    H    ALA  95           H        ALA  95  16.372 -12.738   0.772
  721    HA   ALA  95           HA       ALA  95  15.214 -14.408   2.766
  722   1HB   ALA  95          HB1       ALA  95  17.602 -13.774   2.777
  723   2HB   ALA  95          HB2       ALA  95  17.153 -12.073   3.064
  724   3HB   ALA  95          HB3       ALA  95  16.812 -13.305   4.294
  725    H    LEU  96           H        LEU  96  14.993 -10.907   2.103
  726    HA   LEU  96           HA       LEU  96  13.402 -10.223   4.344
  727   1HB   LEU  96          HB2       LEU  96  13.607  -9.040   1.567
  728   2HB   LEU  96          HB3       LEU  96  12.653  -8.313   2.854
  729    HG   LEU  96           HG       LEU  96  15.647  -8.813   3.122
  730   1HD1  LEU  96          HD11      LEU  96  15.242  -7.265   1.278
  731   2HD1  LEU  96          HD12      LEU  96  14.208  -6.255   2.311
  732   3HD1  LEU  96          HD13      LEU  96  15.946  -6.420   2.652
  733   1HD2  LEU  96          HD21      LEU  96  15.472  -7.140   4.946
  734   2HD2  LEU  96          HD22      LEU  96  13.711  -7.092   4.730
  735   3HD2  LEU  96          HD23      LEU  96  14.514  -8.580   5.284
  736    H    GLN  97           H        GLN  97  12.417 -11.297   1.054
  737    HA   GLN  97           HA       GLN  97   9.629 -11.081   1.550
  738   1HB   GLN  97          HB2       GLN  97  11.323 -12.777  -0.324
  739   2HB   GLN  97          HB3       GLN  97   9.611 -13.148  -0.165
  740   1HG   GLN  97          HG2       GLN  97   8.913 -11.075  -1.011
  741   2HG   GLN  97          HG3       GLN  97  10.522 -10.346  -0.819
  742   1HE2  GLN  97          HE22      GLN  97  12.240 -11.049  -2.222
  743   2HE2  GLN  97          HE21      GLN  97  11.872 -11.670  -3.832
  744    H    GLU  98           H        GLU  98  11.930 -13.726   2.256
  745    HA   GLU  98           HA       GLU  98   9.880 -15.512   3.161
  746   1HB   GLU  98          HB2       GLU  98  12.874 -15.437   3.694
  747   2HB   GLU  98          HB3       GLU  98  11.808 -16.682   4.357
  748   1HG   GLU  98          HG2       GLU  98  11.065 -17.279   2.062
  749   2HG   GLU  98          HG3       GLU  98  12.187 -16.101   1.389
  750    H    LEU  99           H        LEU  99  11.854 -13.065   4.846
  751    HA   LEU  99           HA       LEU  99  11.007 -13.601   7.484
  752   1HB   LEU  99          HB2       LEU  99  12.990 -12.303   6.886
  753   2HB   LEU  99          HB3       LEU  99  11.999 -11.110   6.052
  754    HG   LEU  99           HG       LEU  99  10.939 -10.460   8.151
  755   1HD1  LEU  99          HD11      LEU  99  11.138 -12.487   9.505
  756   2HD1  LEU  99          HD12      LEU  99  12.913 -12.438   9.388
  757   3HD1  LEU  99          HD13      LEU  99  12.040 -11.203  10.316
  758   1HD2  LEU  99          HD21      LEU  99  12.910  -9.271   9.061
  759   2HD2  LEU  99          HD22      LEU  99  13.982 -10.371   8.165
  760   3HD2  LEU  99          HD23      LEU  99  12.900  -9.267   7.289
  761    H    VAL 100           H        VAL 100   9.549 -11.548   4.879
  762    HA   VAL 100           HA       VAL 100   7.371 -10.645   6.522
  763    HB   VAL 100           HB       VAL 100   7.668 -10.956   3.513
  764   1HG1  VAL 100          HG11      VAL 100   5.572  -9.422   5.102
  765   2HG1  VAL 100          HG12      VAL 100   5.850  -9.230   3.356
  766   3HG1  VAL 100          HG13      VAL 100   5.301 -10.780   3.991
  767   1HG2  VAL 100          HG21      VAL 100   9.269  -9.311   4.759
  768   2HG2  VAL 100          HG22      VAL 100   8.400  -8.775   3.337
  769   3HG2  VAL 100          HG23      VAL 100   7.832  -8.310   4.972
  770    H    ASN 101           H        ASN 101   7.814 -13.307   4.210
  771    HA   ASN 101           HA       ASN 101   5.197 -14.147   3.906
  772   1HB   ASN 101          HB2       ASN 101   7.159 -14.829   2.512
  773   2HB   ASN 101          HB3       ASN 101   7.689 -15.898   3.815
  774   1HD2  ASN 101          HD21      ASN 101   5.567 -15.502   1.107
  775   2HD2  ASN 101          HD22      ASN 101   4.754 -17.041   1.228
  776    H    LYS 102           H        LYS 102   7.554 -15.170   6.367
  777    HA   LYS 102           HA       LYS 102   5.965 -17.356   7.318
  778   1HB   LYS 102          HB2       LYS 102   7.555 -17.505   9.138
  779   2HB   LYS 102          HB3       LYS 102   8.370 -17.272   7.588
  780   1HG   LYS 102          HG2       LYS 102   8.675 -14.852   8.141
  781   2HG   LYS 102          HG3       LYS 102   7.854 -15.126   9.678
  782   1HD   LYS 102          HD2       LYS 102  10.236 -15.036  10.045
  783   2HD   LYS 102          HD3       LYS 102   9.650 -16.673  10.377
  784   1HE   LYS 102          HE2       LYS 102  10.435 -17.416   8.139
  785   2HE   LYS 102          HE3       LYS 102  10.974 -15.777   7.768
  786   1HZ   LYS 102          HZ1       LYS 102  12.573 -15.976   9.605
  787   2HZ   LYS 102          HZ2       LYS 102  12.062 -17.493   9.933
  788   3HZ   LYS 102          HZ3       LYS 102  12.802 -17.172   8.520
  789    H    HIS 103           H        HIS 103   5.300 -14.076   7.663
  790    HA   HIS 103           HA       HIS 103   3.608 -14.612  10.071
  791   1HB   HIS 103          HB2       HIS 103   4.809 -11.965   9.192
  792   2HB   HIS 103          HB3       HIS 103   3.815 -12.244  10.621
  793    HD1  HIS 103           HD1      HIS 103   5.080 -14.269  12.356
  794    HD2  HIS 103           HD2      HIS 103   7.335 -11.998   9.634
  795    HE1  HIS 103           HE1      HIS 103   7.491 -14.358  13.175
  796    H    LEU 104           H        LEU 104   3.460 -14.096   6.712
  797    HA   LEU 104           HA       LEU 104   1.128 -12.428   6.566
  798   1HB   LEU 104          HB2       LEU 104   2.249 -14.553   4.700
  799   2HB   LEU 104          HB3       LEU 104   0.825 -13.588   4.329
  800    HG   LEU 104           HG       LEU 104   3.651 -12.529   4.715
  801   1HD1  LEU 104          HD11      LEU 104   1.877 -12.660   2.241
  802   2HD1  LEU 104          HD12      LEU 104   3.527 -12.012   2.325
  803   3HD1  LEU 104          HD13      LEU 104   3.242 -13.741   2.585
  804   1HD2  LEU 104          HD21      LEU 104   2.143 -10.801   5.509
  805   2HD2  LEU 104          HD22      LEU 104   2.700 -10.346   3.904
  806   3HD2  LEU 104          HD23      LEU 104   1.070 -11.027   4.110
  Start of MODEL    8
    1   1H    MET   1          H1        MET   1  -1.202  -0.960   0.027
    2   2H    MET   1          H2        MET   1  -0.443  -0.290  -1.272
    3   3H    MET   1          H3        MET   1   0.158  -1.652  -0.595
    4    HA   MET   1           HA       MET   1   0.033   0.986   0.686
    5   1HB   MET   1          HB2       MET   1   1.259  -1.612   1.701
    6   2HB   MET   1          HB3       MET   1   1.473  -0.038   2.448
    7   1HG   MET   1          HG2       MET   1  -0.161  -1.038   3.742
    8   2HG   MET   1          HG3       MET   1  -1.032   0.100   2.730
    9   1HE   MET   1          HE1       MET   1  -1.209  -4.532   2.520
   10   2HE   MET   1          HE2       MET   1   0.264  -3.684   2.009
   11   3HE   MET   1          HE3       MET   1  -0.291  -3.569   3.697
   12    H    ALA   2           H        ALA   2   2.596   1.359   1.425
   13    HA   ALA   2           HA       ALA   2   4.424   0.870  -0.802
   14   1HB   ALA   2          HB1       ALA   2   3.506   3.686  -0.051
   15   2HB   ALA   2          HB2       ALA   2   4.766   3.271  -1.233
   16   3HB   ALA   2          HB3       ALA   2   3.083   2.840  -1.558
   17    H    ILE   3           H        ILE   3   6.470   2.510  -0.121
   18    HA   ILE   3           HA       ILE   3   7.159   1.909   2.664
   19    HB   ILE   3           HB       ILE   3   8.528   3.578   0.521
   20   1HG1  ILE   3          HG12      ILE   3   9.812   1.048   1.484
   21   2HG1  ILE   3          HG13      ILE   3   8.324   0.795   0.588
   22   1HG2  ILE   3          HG21      ILE   3   9.570   2.726   3.264
   23   2HG2  ILE   3          HG22      ILE   3  10.578   3.401   1.965
   24   3HG2  ILE   3          HG23      ILE   3   9.305   4.385   2.685
   25   1HD1  ILE   3          HD11      ILE   3  10.667   2.447  -0.420
   26   2HD1  ILE   3          HD12      ILE   3  10.276   0.776  -0.877
   27   3HD1  ILE   3          HD13      ILE   3   9.150   2.090  -1.295
   28    H    VAL   4           H        VAL   4   7.199   3.438   4.302
   29    HA   VAL   4           HA       VAL   4   5.975   6.112   3.866
   30    HB   VAL   4           HB       VAL   4   5.243   4.097   6.037
   31   1HG1  VAL   4          HG11      VAL   4   4.817   6.303   6.883
   32   2HG1  VAL   4          HG12      VAL   4   4.029   6.803   5.358
   33   3HG1  VAL   4          HG13      VAL   4   3.280   5.610   6.439
   34   1HG2  VAL   4          HG21      VAL   4   2.995   3.963   4.895
   35   2HG2  VAL   4          HG22      VAL   4   3.691   4.845   3.522
   36   3HG2  VAL   4          HG23      VAL   4   4.302   3.236   3.976
   37    H    LYS   5           H        LYS   5   6.372   7.459   5.866
   38    HA   LYS   5           HA       LYS   5   8.955   6.840   7.228
   39   1HB   LYS   5          HB2       LYS   5   9.109   8.683   5.502
   40   2HB   LYS   5          HB3       LYS   5   7.846   9.542   6.382
   41   1HG   LYS   5          HG2       LYS   5   9.892  10.560   6.979
   42   2HG   LYS   5          HG3       LYS   5   9.344   9.669   8.384
   43   1HD   LYS   5          HD2       LYS   5  11.778   9.459   8.034
   44   2HD   LYS   5          HD3       LYS   5  10.973   7.902   7.974
   45   1HE   LYS   5          HE2       LYS   5  12.660   8.005   6.228
   46   2HE   LYS   5          HE3       LYS   5  11.052   7.895   5.514
   47   1HZ   LYS   5          HZ1       LYS   5  11.163  10.287   5.056
   48   2HZ   LYS   5          HZ2       LYS   5  12.628  10.410   5.765
   49   3HZ   LYS   5          HZ3       LYS   5  12.449   9.548   4.396
   50    H    ALA   6           H        ALA   6   8.826   7.266   9.470
   51    HA   ALA   6           HA       ALA   6   6.300   8.351  10.588
   52   1HB   ALA   6          HB1       ALA   6   7.399   5.585  11.262
   53   2HB   ALA   6          HB2       ALA   6   6.025   6.378  12.059
   54   3HB   ALA   6          HB3       ALA   6   5.900   5.919  10.355
   55    H    THR   7           H        THR   7   6.410   8.569  12.934
   56    HA   THR   7           HA       THR   7   9.071   8.677  14.172
   57    HB   THR   7           HB       THR   7   8.232  10.783  15.342
   58    HG1  THR   7           HG1      THR   7   6.663  11.985  14.255
   59   1HG2  THR   7          HG21      THR   7   9.992  10.875  13.577
   60   2HG2  THR   7          HG22      THR   7   8.737  11.071  12.336
   61   3HG2  THR   7          HG23      THR   7   8.980  12.324  13.575
   62    H    ASP   8           H        ASP   8   8.710   8.849  16.605
   63    HA   ASP   8           HA       ASP   8   7.260   6.764  17.593
   64   1HB   ASP   8          HB2       ASP   8   9.061   8.152  18.742
   65   2HB   ASP   8          HB3       ASP   8   7.817   9.331  19.127
   66    H    GLN   9           H        GLN   9   6.058   9.988  16.959
   67    HA   GLN   9           HA       GLN   9   3.711  10.020  18.535
   68   1HB   GLN   9          HB2       GLN   9   4.344  11.375  15.880
   69   2HB   GLN   9          HB3       GLN   9   2.998  11.803  16.940
   70   1HG   GLN   9          HG2       GLN   9   4.600  12.396  18.750
   71   2HG   GLN   9          HG3       GLN   9   5.953  12.029  17.676
   72   1HE2  GLN   9          HE22      GLN   9   3.381  14.359  18.393
   73   2HE2  GLN   9          HE21      GLN   9   3.919  15.583  17.271
   74    H    SER  10           H        SER  10   4.365   8.509  15.410
   75    HA   SER  10           HA       SER  10   1.488   7.714  15.161
   76   1HB   SER  10          HB2       SER  10   3.298   8.671  12.914
   77   2HB   SER  10          HB3       SER  10   1.576   8.267  12.807
   78    HG   SER  10           HG       SER  10   1.936  10.526  12.961
   79    H    PHE  11           H        PHE  11   4.699   6.565  15.248
   80    HA   PHE  11           HA       PHE  11   4.852   4.589  13.354
   81   1HB   PHE  11          HB2       PHE  11   6.619   5.248  14.961
   82   2HB   PHE  11          HB3       PHE  11   5.743   4.466  16.269
   83    HD1  PHE  11           HD1      PHE  11   7.607   3.926  13.097
   84    HD2  PHE  11           HD2      PHE  11   5.868   2.045  16.571
   85    HE1  PHE  11           HE1      PHE  11   8.794   1.836  12.556
   86    HE2  PHE  11           HE2      PHE  11   7.044  -0.067  16.006
   87    HZ   PHE  11           HZ       PHE  11   8.514  -0.179  14.014
   88    H    SER  12           H        SER  12   3.204   4.272  16.561
   89    HA   SER  12           HA       SER  12   2.515   1.576  16.285
   90   1HB   SER  12          HB2       SER  12   0.900   3.686  17.756
   91   2HB   SER  12          HB3       SER  12   1.048   1.962  18.146
   92    HG   SER  12           HG       SER  12   2.376   3.284  19.475
   93    H    ALA  13           H        ALA  13   0.811   4.476  15.109
   94    HA   ALA  13           HA       ALA  13  -1.571   3.057  14.340
   95   1HB   ALA  13          HB1       ALA  13  -2.126   5.116  13.106
   96   2HB   ALA  13          HB2       ALA  13  -1.583   5.500  14.750
   97   3HB   ALA  13          HB3       ALA  13  -0.488   5.742  13.368
   98    H    GLU  14           H        GLU  14   1.413   4.099  12.677
   99    HA   GLU  14           HA       GLU  14   0.607   3.205  10.104
  100   1HB   GLU  14          HB2       GLU  14   3.372   3.661  11.309
  101   2HB   GLU  14          HB3       GLU  14   3.142   3.161   9.638
  102   1HG   GLU  14          HG2       GLU  14   2.131   5.735  10.895
  103   2HG   GLU  14          HG3       GLU  14   3.464   5.563   9.751
  104    H    THR  15           H        THR  15   2.198   1.475  12.786
  105    HA   THR  15           HA       THR  15   2.625  -0.870  11.179
  106    HB   THR  15           HB       THR  15   3.463  -1.781  13.375
  107    HG1  THR  15           HG1      THR  15   3.316   0.910  14.211
  108   1HG2  THR  15          HG21      THR  15   4.646   0.796  12.234
  109   2HG2  THR  15          HG22      THR  15   5.475  -0.261  13.385
  110   3HG2  THR  15          HG23      THR  15   5.039  -0.875  11.785
  111    H    SER  16           H        SER  16  -0.237   0.245  12.291
  112    HA   SER  16           HA       SER  16  -1.197  -2.391  13.207
  113   1HB   SER  16          HB2       SER  16  -2.400   0.391  13.486
  114   2HB   SER  16          HB3       SER  16  -3.155  -1.107  14.057
  115    HG   SER  16           HG       SER  16  -0.780   0.135  14.962
  116    H    GLU  17           H        GLU  17  -0.616  -1.890  10.412
  117    HA   GLU  17           HA       GLU  17  -3.319  -2.416   9.276
  118   1HB   GLU  17          HB2       GLU  17  -1.246  -0.525   8.102
  119   2HB   GLU  17          HB3       GLU  17  -2.699  -1.105   7.266
  120   1HG   GLU  17          HG2       GLU  17  -4.071  -0.156   9.191
  121   2HG   GLU  17          HG3       GLU  17  -2.596   0.649   9.746
  122    H    GLY  18           H        GLY  18  -2.035  -4.541  10.010
  123   1HA   GLY  18          HA2       GLY  18  -1.937  -6.598   8.835
  124   2HA   GLY  18          HA3       GLY  18  -1.292  -5.772   7.414
  125    H    VAL  19           H        VAL  19   0.490  -7.197   7.291
  126    HA   VAL  19           HA       VAL  19   2.510  -7.247   9.433
  127    HB   VAL  19           HB       VAL  19   2.723  -8.087   6.500
  128   1HG1  VAL  19          HG11      VAL  19   4.561  -8.650   8.880
  129   2HG1  VAL  19          HG12      VAL  19   4.742  -9.334   7.251
  130   3HG1  VAL  19          HG13      VAL  19   4.950  -7.600   7.504
  131   1HG2  VAL  19          HG21      VAL  19   2.258  -9.794   8.989
  132   2HG2  VAL  19          HG22      VAL  19   1.090  -9.519   7.679
  133   3HG2  VAL  19          HG23      VAL  19   2.576 -10.410   7.353
  134    H    VAL  20           H        VAL  20   4.134  -5.753   9.584
  135    HA   VAL  20           HA       VAL  20   4.532  -3.794   7.409
  136    HB   VAL  20           HB       VAL  20   4.115  -3.094  10.353
  137   1HG1  VAL  20          HG11      VAL  20   4.162  -0.729   9.491
  138   2HG1  VAL  20          HG12      VAL  20   5.709  -1.556   9.307
  139   3HG1  VAL  20          HG13      VAL  20   4.640  -1.352   7.905
  140   1HG2  VAL  20          HG21      VAL  20   2.078  -1.800   9.376
  141   2HG2  VAL  20          HG22      VAL  20   2.281  -2.787   7.934
  142   3HG2  VAL  20          HG23      VAL  20   1.929  -3.551   9.492
  143    H    LEU  21           H        LEU  21   6.722  -3.172   7.275
  144    HA   LEU  21           HA       LEU  21   8.596  -4.543   9.163
  145   1HB   LEU  21          HB2       LEU  21   8.284  -5.713   6.999
  146   2HB   LEU  21          HB3       LEU  21   8.938  -4.296   6.155
  147    HG   LEU  21           HG       LEU  21  10.351  -6.045   8.224
  148   1HD1  LEU  21          HD11      LEU  21  11.667  -6.876   6.333
  149   2HD1  LEU  21          HD12      LEU  21   9.947  -7.149   6.042
  150   3HD1  LEU  21          HD13      LEU  21  10.781  -5.812   5.219
  151   1HD2  LEU  21          HD21      LEU  21  12.443  -4.878   7.350
  152   2HD2  LEU  21          HD22      LEU  21  11.372  -3.630   6.692
  153   3HD2  LEU  21          HD23      LEU  21  11.430  -3.951   8.450
  154    H    ALA  22           H        ALA  22   9.316  -2.942  10.363
  155    HA   ALA  22           HA       ALA  22   9.508  -0.219   9.307
  156   1HB   ALA  22          HB1       ALA  22   9.975  -1.441  12.046
  157   2HB   ALA  22          HB2       ALA  22  10.134   0.289  11.672
  158   3HB   ALA  22          HB3       ALA  22   8.546  -0.511  11.526
  159    H    ASP  23           H        ASP  23  11.469   0.873   9.165
  160    HA   ASP  23           HA       ASP  23  13.997  -0.724   9.264
  161   1HB   ASP  23          HB2       ASP  23  13.439  -0.448   6.956
  162   2HB   ASP  23          HB3       ASP  23  13.006   1.247   7.190
  163    H    PHE  24           H        PHE  24  14.669  -0.061  11.177
  164    HA   PHE  24           HA       PHE  24  14.607   2.722  12.109
  165   1HB   PHE  24          HB2       PHE  24  15.707   0.106  13.229
  166   2HB   PHE  24          HB3       PHE  24  16.035   1.670  13.947
  167    HD1  PHE  24           HD1      PHE  24  13.076  -0.405  12.793
  168    HD2  PHE  24           HD2      PHE  24  14.603   2.443  15.654
  169    HE1  PHE  24           HE1      PHE  24  10.873  -0.317  13.911
  170    HE2  PHE  24           HE2      PHE  24  12.386   2.540  16.735
  171    HZ   PHE  24           HZ       PHE  24  10.491   1.206  15.814
  172    H    TRP  25           H        TRP  25  15.950   4.093  11.208
  173    HA   TRP  25           HA       TRP  25  18.651   3.342  10.428
  174   1HB   TRP  25          HB2       TRP  25  18.256   3.164   8.254
  175   2HB   TRP  25          HB3       TRP  25  16.543   3.224   8.550
  176    HD1  TRP  25           HD1      TRP  25  19.270   5.017   6.802
  177    HE1  TRP  25           HE1      TRP  25  18.410   7.166   5.719
  178    HE3  TRP  25           HE3      TRP  25  14.800   5.434   9.223
  179    HZ2  TRP  25           HZ2      TRP  25  16.351   9.111   6.249
  180    HZ3  TRP  25           HZ3      TRP  25  13.470   7.535   9.031
  181    HH2  TRP  25           HH2      TRP  25  14.289   9.405   7.606
  182    H    ALA  26           H        ALA  26  19.481   5.627   9.236
  183    HA   ALA  26           HA       ALA  26  18.231   7.993  10.229
  184   1HB   ALA  26          HB1       ALA  26  21.007   7.275  11.282
  185   2HB   ALA  26          HB2       ALA  26  20.226   8.868  11.440
  186   3HB   ALA  26          HB3       ALA  26  19.541   7.470  12.273
  187    HA   PRO  27           HA       PRO  27  20.128   8.845   6.372
  188   1HB   PRO  27          HB2       PRO  27  20.309  11.599   6.246
  189   2HB   PRO  27          HB3       PRO  27  18.819  10.635   6.043
  190   1HG   PRO  27          HG2       PRO  27  19.812  12.055   8.530
  191   2HG   PRO  27          HG3       PRO  27  18.143  11.996   7.872
  192   1HD   PRO  27          HD2       PRO  27  18.978  10.397   9.933
  193   2HD   PRO  27          HD3       PRO  27  17.781   9.842   8.725
  194    H    TRP  28           H        TRP  28  21.970   9.692   9.228
  195    HA   TRP  28           HA       TRP  28  24.381  10.355   7.761
  196   1HB   TRP  28          HB2       TRP  28  25.541  10.082   9.834
  197   2HB   TRP  28          HB3       TRP  28  24.079  11.004  10.109
  198    HD1  TRP  28           HD1      TRP  28  22.357  10.050  11.806
  199    HE1  TRP  28           HE1      TRP  28  22.355   8.150  13.504
  200    HE3  TRP  28           HE3      TRP  28  26.486   7.499  10.160
  201    HZ2  TRP  28           HZ2      TRP  28  23.864   5.725  14.002
  202    HZ3  TRP  28           HZ3      TRP  28  27.153   5.376  11.242
  203    HH2  TRP  28           HH2      TRP  28  25.847   4.474  13.156
  204    H    CYS  29           H        CYS  29  22.642   7.413   8.301
  205    HA   CYS  29           HA       CYS  29  24.668   5.536   8.702
  206   1HB   CYS  29          HB2       CYS  29  22.157   5.302   8.979
  207   2HB   CYS  29          HB3       CYS  29  22.033   5.208   7.250
  208    H    GLY  30           H        GLY  30  25.684   4.037   7.293
  209   1HA   GLY  30          HA2       GLY  30  25.935   4.797   4.419
  210   2HA   GLY  30          HA3       GLY  30  27.063   3.812   5.352
  211    HA   PRO  31           HA       PRO  31  25.172   0.139   4.056
  212   1HB   PRO  31          HB2       PRO  31  24.419  -1.419   6.234
  213   2HB   PRO  31          HB3       PRO  31  26.092  -1.167   5.659
  214   1HG   PRO  31          HG2       PRO  31  24.669   0.222   7.928
  215   2HG   PRO  31          HG3       PRO  31  26.355  -0.362   7.858
  216   1HD   PRO  31          HD2       PRO  31  25.635   2.255   7.482
  217   2HD   PRO  31          HD3       PRO  31  27.044   1.534   6.643
  218    H    CYS  32           H        CYS  32  23.004   1.866   6.296
  219    HA   CYS  32           HA       CYS  32  20.565   0.638   5.600
  220   1HB   CYS  32          HB2       CYS  32  20.928   3.619   5.958
  221   2HB   CYS  32          HB3       CYS  32  19.491   2.651   6.236
  222    H    LYS  33           H        LYS  33  22.591   2.954   3.756
  223    HA   LYS  33           HA       LYS  33  20.563   3.617   1.838
  224   1HB   LYS  33          HB2       LYS  33  23.568   3.785   1.425
  225   2HB   LYS  33          HB3       LYS  33  22.320   4.734   0.633
  226   1HG   LYS  33          HG2       LYS  33  23.133   4.922   3.565
  227   2HG   LYS  33          HG3       LYS  33  23.584   6.034   2.281
  228   1HD   LYS  33          HD2       LYS  33  21.270   6.790   2.038
  229   2HD   LYS  33          HD3       LYS  33  20.700   5.549   3.158
  230   1HE   LYS  33          HE2       LYS  33  20.823   7.730   4.289
  231   2HE   LYS  33          HE3       LYS  33  21.931   6.544   5.016
  232   1HZ   LYS  33          HZ1       LYS  33  23.747   7.593   4.081
  233   2HZ   LYS  33          HZ2       LYS  33  22.862   8.536   3.037
  234   3HZ   LYS  33          HZ3       LYS  33  22.842   8.816   4.655
  235    H    MET  34           H        MET  34  22.822   0.898   2.158
  236    HA   MET  34           HA       MET  34  22.567   0.243  -0.652
  237   1HB   MET  34          HB2       MET  34  24.296  -1.169  -0.418
  238   2HB   MET  34          HB3       MET  34  24.630  -0.037   0.888
  239   1HG   MET  34          HG2       MET  34  23.484  -1.772   2.427
  240   2HG   MET  34          HG3       MET  34  23.598  -2.875   1.060
  241   1HE   MET  34          HE1       MET  34  24.950  -4.515   2.786
  242   2HE   MET  34          HE2       MET  34  26.378  -3.977   3.695
  243   3HE   MET  34          HE3       MET  34  24.790  -3.253   4.034
  244    H    ILE  35           H        ILE  35  21.148  -0.876   2.409
  245    HA   ILE  35           HA       ILE  35  19.620  -2.931   1.041
  246    HB   ILE  35           HB       ILE  35  20.245  -3.196   3.386
  247   1HG1  ILE  35          HG12      ILE  35  17.235  -3.222   2.957
  248   2HG1  ILE  35          HG13      ILE  35  18.362  -4.434   2.341
  249   1HG2  ILE  35          HG21      ILE  35  19.091  -2.013   5.186
  250   2HG2  ILE  35          HG22      ILE  35  19.977  -0.896   4.160
  251   3HG2  ILE  35          HG23      ILE  35  18.206  -1.026   4.002
  252   1HD1  ILE  35          HD11      ILE  35  17.728  -3.828   5.259
  253   2HD1  ILE  35          HD12      ILE  35  17.302  -5.274   4.334
  254   3HD1  ILE  35          HD13      ILE  35  18.999  -4.949   4.719
  255    H    ALA  36           H        ALA  36  19.122   0.541   1.664
  256    HA   ALA  36           HA       ALA  36  16.421   0.758   1.462
  257   1HB   ALA  36          HB1       ALA  36  17.875   2.667   1.827
  258   2HB   ALA  36          HB2       ALA  36  18.447   2.602   0.145
  259   3HB   ALA  36          HB3       ALA  36  16.755   2.993   0.494
  260    HA   PRO  37           HA       PRO  37  16.120   0.537  -3.284
  261   1HB   PRO  37          HB2       PRO  37  18.051  -0.786  -4.754
  262   2HB   PRO  37          HB3       PRO  37  18.018   0.983  -4.486
  263   1HG   PRO  37          HG2       PRO  37  19.586  -1.107  -2.949
  264   2HG   PRO  37          HG3       PRO  37  20.171   0.456  -3.606
  265   1HD   PRO  37          HD2       PRO  37  19.476   0.222  -1.017
  266   2HD   PRO  37          HD3       PRO  37  19.035   1.688  -1.932
  267    H    VAL  38           H        VAL  38  17.649  -2.071  -1.422
  268    HA   VAL  38           HA       VAL  38  16.275  -4.196  -2.778
  269    HB   VAL  38           HB       VAL  38  17.352  -4.289   0.063
  270   1HG1  VAL  38          HG11      VAL  38  17.714  -6.656  -0.476
  271   2HG1  VAL  38          HG12      VAL  38  16.015  -6.220  -0.678
  272   3HG1  VAL  38          HG13      VAL  38  17.045  -6.404  -2.120
  273   1HG2  VAL  38          HG21      VAL  38  19.484  -5.115  -0.887
  274   2HG2  VAL  38          HG22      VAL  38  18.915  -4.713  -2.524
  275   3HG2  VAL  38          HG23      VAL  38  19.201  -3.435  -1.324
  276    H    LEU  39           H        LEU  39  15.564  -2.115   0.111
  277    HA   LEU  39           HA       LEU  39  13.054  -3.357   0.658
  278   1HB   LEU  39          HB2       LEU  39  14.034  -0.531   1.218
  279   2HB   LEU  39          HB3       LEU  39  12.503  -1.169   1.799
  280    HG   LEU  39           HG       LEU  39  15.203  -2.395   2.449
  281   1HD1  LEU  39          HD11      LEU  39  14.954  -1.365   4.674
  282   2HD1  LEU  39          HD12      LEU  39  15.026  -0.141   3.399
  283   3HD1  LEU  39          HD13      LEU  39  13.465  -0.552   4.140
  284   1HD2  LEU  39          HD21      LEU  39  13.983  -3.608   4.224
  285   2HD2  LEU  39          HD22      LEU  39  12.454  -2.881   3.686
  286   3HD2  LEU  39          HD23      LEU  39  13.326  -4.014   2.637
  287    H    GLU  40           H        GLU  40  13.938  -0.703  -1.615
  288    HA   GLU  40           HA       GLU  40  11.244  -0.256  -2.442
  289   1HB   GLU  40          HB2       GLU  40  13.837   0.085  -3.988
  290   2HB   GLU  40          HB3       GLU  40  12.250   0.546  -4.598
  291   1HG   GLU  40          HG2       GLU  40  11.928   2.062  -2.665
  292   2HG   GLU  40          HG3       GLU  40  13.533   1.651  -2.067
  293    H    GLU  41           H        GLU  41  13.655  -2.650  -3.597
  294    HA   GLU  41           HA       GLU  41  11.920  -3.802  -5.544
  295   1HB   GLU  41          HB2       GLU  41  14.331  -4.895  -4.056
  296   2HB   GLU  41          HB3       GLU  41  13.447  -5.824  -5.272
  297   1HG   GLU  41          HG2       GLU  41  13.859  -4.113  -6.970
  298   2HG   GLU  41          HG3       GLU  41  14.683  -3.087  -5.807
  299    H    LEU  42           H        LEU  42  12.364  -4.477  -2.073
  300    HA   LEU  42           HA       LEU  42  10.592  -6.685  -1.928
  301   1HB   LEU  42          HB2       LEU  42  12.190  -5.990  -0.107
  302   2HB   LEU  42          HB3       LEU  42  11.181  -4.582   0.211
  303    HG   LEU  42           HG       LEU  42   9.260  -6.117   0.764
  304   1HD1  LEU  42          HD11      LEU  42  11.408  -8.271   0.503
  305   2HD1  LEU  42          HD12      LEU  42   9.823  -8.505   1.272
  306   3HD1  LEU  42          HD13      LEU  42   9.915  -8.131  -0.453
  307   1HD2  LEU  42          HD21      LEU  42  11.828  -6.354   2.362
  308   2HD2  LEU  42          HD22      LEU  42  10.553  -5.145   2.545
  309   3HD2  LEU  42          HD23      LEU  42  10.224  -6.833   2.962
  310    H    ASP  43           H        ASP  43  10.009  -3.151  -1.594
  311    HA   ASP  43           HA       ASP  43   7.267  -3.264  -0.979
  312   1HB   ASP  43          HB2       ASP  43   8.733  -1.203  -0.934
  313   2HB   ASP  43          HB3       ASP  43   8.646  -1.165  -2.706
  314    H    GLN  44           H        GLN  44   8.943  -3.214  -4.114
  315    HA   GLN  44           HA       GLN  44   6.536  -3.158  -5.669
  316   1HB   GLN  44          HB2       GLN  44   9.432  -3.775  -6.336
  317   2HB   GLN  44          HB3       GLN  44   8.154  -3.703  -7.560
  318   1HG   GLN  44          HG2       GLN  44   7.668  -1.394  -7.085
  319   2HG   GLN  44          HG3       GLN  44   8.675  -1.383  -5.639
  320   1HE2  GLN  44          HE22      GLN  44  10.979  -1.524  -5.869
  321   2HE2  GLN  44          HE21      GLN  44  11.784  -1.028  -7.359
  322    H    GLU  45           H        GLU  45   7.941  -5.736  -3.912
  323    HA   GLU  45           HA       GLU  45   6.713  -7.836  -5.613
  324   1HB   GLU  45          HB2       GLU  45   8.810  -7.830  -3.414
  325   2HB   GLU  45          HB3       GLU  45   8.074  -9.316  -4.016
  326   1HG   GLU  45          HG2       GLU  45   9.503  -7.322  -5.817
  327   2HG   GLU  45          HG3       GLU  45  10.306  -8.686  -5.045
  328    H    MET  46           H        MET  46   6.580  -6.362  -2.385
  329    HA   MET  46           HA       MET  46   4.408  -8.277  -1.646
  330   1HB   MET  46          HB2       MET  46   6.408  -6.894   0.171
  331   2HB   MET  46          HB3       MET  46   5.270  -8.166   0.609
  332   1HG   MET  46          HG2       MET  46   7.685  -8.412  -1.224
  333   2HG   MET  46          HG3       MET  46   7.543  -9.056   0.398
  334   1HE   MET  46          HE1       MET  46   5.104 -10.656   0.811
  335   2HE   MET  46          HE2       MET  46   5.491 -12.230   0.070
  336   3HE   MET  46          HE3       MET  46   6.747 -11.352   0.969
  337    H    GLY  47           H        GLY  47   4.801  -4.992  -2.371
  338   1HA   GLY  47          HA2       GLY  47   3.712  -3.601  -0.280
  339   2HA   GLY  47          HA3       GLY  47   3.558  -3.149  -1.977
  340    H    ASP  48           H        ASP  48   1.888  -5.869  -2.115
  341    HA   ASP  48           HA       ASP  48  -0.708  -4.595  -1.772
  342   1HB   ASP  48          HB2       ASP  48  -0.247  -6.114  -3.678
  343   2HB   ASP  48          HB3       ASP  48  -0.008  -7.449  -2.546
  344    H    LYS  49           H        LYS  49   1.411  -6.697   0.036
  345    HA   LYS  49           HA       LYS  49  -0.707  -7.308   2.063
  346   1HB   LYS  49          HB2       LYS  49   1.887  -8.835   1.568
  347   2HB   LYS  49          HB3       LYS  49   0.546  -9.288   2.614
  348   1HG   LYS  49          HG2       LYS  49   0.594  -9.291  -0.423
  349   2HG   LYS  49          HG3       LYS  49   0.570 -10.684   0.658
  350   1HD   LYS  49          HD2       LYS  49  -1.721  -9.986   1.449
  351   2HD   LYS  49          HD3       LYS  49  -1.673  -8.665   0.264
  352   1HE   LYS  49          HE2       LYS  49  -1.084 -10.596  -1.442
  353   2HE   LYS  49          HE3       LYS  49  -1.794 -11.654  -0.213
  354   1HZ   LYS  49          HZ1       LYS  49  -3.086  -9.368  -1.578
  355   2HZ   LYS  49          HZ2       LYS  49  -3.447 -10.950  -1.810
  356   3HZ   LYS  49          HZ3       LYS  49  -3.819 -10.245  -0.382
  357    H    LEU  50           H        LEU  50   2.399  -5.817   1.444
  358    HA   LEU  50           HA       LEU  50   3.011  -5.626   4.336
  359   1HB   LEU  50          HB2       LEU  50   4.513  -7.000   2.864
  360   2HB   LEU  50          HB3       LEU  50   4.754  -5.582   1.838
  361    HG   LEU  50           HG       LEU  50   5.856  -4.402   3.749
  362   1HD1  LEU  50          HD11      LEU  50   4.831  -5.632   5.627
  363   2HD1  LEU  50          HD12      LEU  50   5.614  -7.132   5.092
  364   3HD1  LEU  50          HD13      LEU  50   6.580  -5.762   5.679
  365   1HD2  LEU  50          HD21      LEU  50   7.024  -7.048   2.850
  366   2HD2  LEU  50          HD22      LEU  50   7.194  -5.467   2.062
  367   3HD2  LEU  50          HD23      LEU  50   7.941  -5.743   3.643
  368    H    LYS  51           H        LYS  51   3.812  -3.686   5.120
  369    HA   LYS  51           HA       LYS  51   3.927  -1.300   3.332
  370   1HB   LYS  51          HB2       LYS  51   1.948  -1.135   4.874
  371   2HB   LYS  51          HB3       LYS  51   3.020  -1.409   6.246
  372   1HG   LYS  51          HG2       LYS  51   4.301   0.707   5.491
  373   2HG   LYS  51          HG3       LYS  51   2.957   1.008   4.391
  374   1HD   LYS  51          HD2       LYS  51   2.752   0.690   7.423
  375   2HD   LYS  51          HD3       LYS  51   2.873   2.235   6.578
  376   1HE   LYS  51          HE2       LYS  51   0.751   1.769   5.378
  377   2HE   LYS  51          HE3       LYS  51   0.608   0.217   6.229
  378   1HZ   LYS  51          HZ1       LYS  51  -0.676   1.976   7.315
  379   2HZ   LYS  51          HZ2       LYS  51   0.529   1.434   8.305
  380   3HZ   LYS  51          HZ3       LYS  51   0.685   2.880   7.534
  381    H    ILE  52           H        ILE  52   5.847  -0.035   3.797
  382    HA   ILE  52           HA       ILE  52   7.761  -1.337   5.676
  383    HB   ILE  52           HB       ILE  52   8.330  -0.026   3.006
  384   1HG1  ILE  52          HG12      ILE  52   8.702  -2.905   3.960
  385   2HG1  ILE  52          HG13      ILE  52   7.466  -2.341   2.834
  386   1HG2  ILE  52          HG21      ILE  52  10.713  -0.495   3.428
  387   2HG2  ILE  52          HG22      ILE  52  10.081   0.565   4.673
  388   3HG2  ILE  52          HG23      ILE  52  10.317  -1.163   5.026
  389   1HD1  ILE  52          HD11      ILE  52  10.444  -2.495   2.319
  390   2HD1  ILE  52          HD12      ILE  52   9.128  -3.354   1.506
  391   3HD1  ILE  52          HD13      ILE  52   9.314  -1.605   1.272
  392    H    VAL  53           H        VAL  53   8.689   0.115   7.174
  393    HA   VAL  53           HA       VAL  53   7.697   2.949   7.002
  394    HB   VAL  53           HB       VAL  53   7.405   1.032   9.347
  395   1HG1  VAL  53          HG11      VAL  53   6.256   2.933  10.480
  396   2HG1  VAL  53          HG12      VAL  53   7.958   3.293  10.192
  397   3HG1  VAL  53          HG13      VAL  53   6.717   4.003   9.134
  398   1HG2  VAL  53          HG21      VAL  53   5.331   2.477   7.640
  399   2HG2  VAL  53          HG22      VAL  53   5.668   0.739   7.619
  400   3HG2  VAL  53          HG23      VAL  53   4.992   1.485   9.070
  401    H    LYS  54           H        LYS  54   9.604   4.016   6.651
  402    HA   LYS  54           HA       LYS  54  12.047   3.222   8.082
  403   1HB   LYS  54          HB2       LYS  54  11.461   5.719   6.434
  404   2HB   LYS  54          HB3       LYS  54  13.048   5.197   7.024
  405   1HG   LYS  54          HG2       LYS  54  12.811   3.093   5.662
  406   2HG   LYS  54          HG3       LYS  54  11.282   3.700   5.026
  407   1HD   LYS  54          HD2       LYS  54  13.029   4.072   3.412
  408   2HD   LYS  54          HD3       LYS  54  12.452   5.635   4.015
  409   1HE   LYS  54          HE2       LYS  54  14.395   5.812   5.513
  410   2HE   LYS  54          HE3       LYS  54  14.924   4.181   5.061
  411   1HZ   LYS  54          HZ1       LYS  54  16.164   5.871   3.865
  412   2HZ   LYS  54          HZ2       LYS  54  15.290   4.999   2.803
  413   3HZ   LYS  54          HZ3       LYS  54  14.809   6.505   3.217
  414    H    ILE  55           H        ILE  55  12.839   4.198   9.974
  415    HA   ILE  55           HA       ILE  55  11.500   6.626  10.959
  416    HB   ILE  55           HB       ILE  55  10.156   4.963  11.961
  417   1HG1  ILE  55          HG12      ILE  55  12.092   5.871  14.125
  418   2HG1  ILE  55          HG13      ILE  55  10.991   6.967  13.290
  419   1HG2  ILE  55          HG21      ILE  55  11.616   2.966  11.806
  420   2HG2  ILE  55          HG22      ILE  55  12.629   3.613  13.116
  421   3HG2  ILE  55          HG23      ILE  55  10.945   3.163  13.422
  422   1HD1  ILE  55          HD11      ILE  55  10.144   4.578  14.973
  423   2HD1  ILE  55          HD12      ILE  55  10.013   6.288  15.407
  424   3HD1  ILE  55          HD13      ILE  55   9.047   5.651  14.068
  425    H    ASP  56           H        ASP  56  12.880   8.024  11.744
  426    HA   ASP  56           HA       ASP  56  15.723   7.477  11.422
  427   1HB   ASP  56          HB2       ASP  56  14.785   9.491  10.478
  428   2HB   ASP  56          HB3       ASP  56  14.173  10.001  12.052
  429    H    VAL  57           H        VAL  57  16.663   6.432  13.169
  430    HA   VAL  57           HA       VAL  57  15.584   6.491  15.780
  431    HB   VAL  57           HB       VAL  57  17.588   5.337  16.499
  432   1HG1  VAL  57          HG11      VAL  57  15.793   4.182  15.198
  433   2HG1  VAL  57          HG12      VAL  57  16.784   4.330  13.739
  434   3HG1  VAL  57          HG13      VAL  57  17.377   3.382  15.120
  435   1HG2  VAL  57          HG21      VAL  57  19.360   6.555  15.268
  436   2HG2  VAL  57          HG22      VAL  57  19.458   4.812  15.007
  437   3HG2  VAL  57          HG23      VAL  57  18.782   5.854  13.743
  438    H    ASP  58           H        ASP  58  17.765   8.804  14.239
  439    HA   ASP  58           HA       ASP  58  18.977   9.765  16.675
  440   1HB   ASP  58          HB2       ASP  58  19.942  10.102  14.412
  441   2HB   ASP  58          HB3       ASP  58  18.594  11.174  14.011
  442    H    GLU  59           H        GLU  59  15.855  10.201  15.254
  443    HA   GLU  59           HA       GLU  59  15.205  12.479  17.081
  444   1HB   GLU  59          HB2       GLU  59  14.135  11.611  14.366
  445   2HB   GLU  59          HB3       GLU  59  13.267  12.752  15.384
  446   1HG   GLU  59          HG2       GLU  59  16.130  13.212  14.447
  447   2HG   GLU  59          HG3       GLU  59  14.704  13.773  13.585
  448    H    ASN  60           H        ASN  60  15.046   9.183  17.029
  449    HA   ASN  60           HA       ASN  60  12.388   9.041  18.355
  450   1HB   ASN  60          HB2       ASN  60  13.202   7.355  15.952
  451   2HB   ASN  60          HB3       ASN  60  11.810   7.051  16.981
  452   1HD2  ASN  60          HD22      ASN  60  13.032   9.045  14.397
  453   2HD2  ASN  60          HD21      ASN  60  11.555   9.955  14.132
  454    H    GLN  61           H        GLN  61  14.841   9.087  19.581
  455    HA   GLN  61           HA       GLN  61  16.097   6.617  20.071
  456   1HB   GLN  61          HB2       GLN  61  15.662   9.057  21.842
  457   2HB   GLN  61          HB3       GLN  61  16.687   7.702  22.309
  458   1HG   GLN  61          HG2       GLN  61  17.129   9.329  19.768
  459   2HG   GLN  61          HG3       GLN  61  17.907   9.672  21.309
  460   1HE2  GLN  61          HE22      GLN  61  17.941   7.621  18.488
  461   2HE2  GLN  61          HE21      GLN  61  19.328   6.644  18.954
  462    H    GLU  62           H        GLU  62  13.040   7.928  21.391
  463    HA   GLU  62           HA       GLU  62  12.773   6.028  23.490
  464   1HB   GLU  62          HB2       GLU  62  10.659   7.569  21.916
  465   2HB   GLU  62          HB3       GLU  62  10.341   6.663  23.395
  466   1HG   GLU  62          HG2       GLU  62  12.192   9.076  23.148
  467   2HG   GLU  62          HG3       GLU  62  10.563   9.085  23.807
  468    H    THR  63           H        THR  63  11.496   5.982  20.072
  469    HA   THR  63           HA       THR  63  10.202   3.480  20.394
  470    HB   THR  63           HB       THR  63  11.254   4.354  17.761
  471    HG1  THR  63           HG1      THR  63   9.256   5.815  19.153
  472   1HG2  THR  63          HG21      THR  63   9.652   2.510  17.835
  473   2HG2  THR  63          HG22      THR  63   8.454   3.553  18.629
  474   3HG2  THR  63          HG23      THR  63   8.979   3.886  16.960
  475    H    ALA  64           H        ALA  64  13.467   4.424  19.195
  476    HA   ALA  64           HA       ALA  64  14.378   1.815  18.525
  477   1HB   ALA  64          HB1       ALA  64  15.903   4.231  19.633
  478   2HB   ALA  64          HB2       ALA  64  16.657   2.825  18.879
  479   3HB   ALA  64          HB3       ALA  64  15.602   3.878  17.919
  480    H    GLY  65           H        GLY  65  14.545   3.592  21.658
  481   1HA   GLY  65          HA2       GLY  65  15.770   1.566  23.191
  482   2HA   GLY  65          HA3       GLY  65  14.716   2.860  23.793
  483    H    LYS  66           H        LYS  66  12.387   1.948  22.153
  484    HA   LYS  66           HA       LYS  66  11.088   0.319  23.994
  485   1HB   LYS  66          HB2       LYS  66  10.159   1.817  22.045
  486   2HB   LYS  66          HB3       LYS  66  10.410   0.414  21.032
  487   1HG   LYS  66          HG2       LYS  66   8.118   0.478  21.675
  488   2HG   LYS  66          HG3       LYS  66   8.866  -0.920  22.450
  489   1HD   LYS  66          HD2       LYS  66   8.974   0.324  24.607
  490   2HD   LYS  66          HD3       LYS  66   8.371   1.775  23.800
  491   1HE   LYS  66          HE2       LYS  66   6.537   0.801  24.980
  492   2HE   LYS  66          HE3       LYS  66   6.248   0.575  23.255
  493   1HZ   LYS  66          HZ1       LYS  66   7.284  -1.503  25.104
  494   2HZ   LYS  66          HZ2       LYS  66   5.765  -1.420  24.532
  495   3HZ   LYS  66          HZ3       LYS  66   6.992  -1.729  23.509
  496    H    TYR  67           H        TYR  67  13.100  -0.637  21.229
  497    HA   TYR  67           HA       TYR  67  12.664  -3.500  21.990
  498   1HB   TYR  67          HB2       TYR  67  13.565  -2.716  19.252
  499   2HB   TYR  67          HB3       TYR  67  12.670  -4.133  19.768
  500    HD1  TYR  67           HD1      TYR  67  10.170  -3.722  20.536
  501    HD2  TYR  67           HD2      TYR  67  12.516  -0.831  18.355
  502    HE1  TYR  67           HE1      TYR  67   8.104  -2.472  19.962
  503    HE2  TYR  67           HE2      TYR  67  10.509   0.438  17.839
  504    HH   TYR  67           HH       TYR  67   8.158   0.573  18.062
  505    H    GLY  68           H        GLY  68  14.814  -1.244  22.668
  506   1HA   GLY  68          HA2       GLY  68  17.038  -1.196  23.138
  507   2HA   GLY  68          HA3       GLY  68  17.046  -2.962  23.001
  508    H    VAL  69           H        VAL  69  16.185  -0.714  20.339
  509    HA   VAL  69           HA       VAL  69  18.195  -1.824  18.556
  510    HB   VAL  69           HB       VAL  69  16.481   0.686  18.302
  511   1HG1  VAL  69          HG11      VAL  69  18.370   0.784  16.766
  512   2HG1  VAL  69          HG12      VAL  69  18.056  -0.875  16.220
  513   3HG1  VAL  69          HG13      VAL  69  16.900   0.426  15.861
  514   1HG2  VAL  69          HG21      VAL  69  15.035  -0.705  16.808
  515   2HG2  VAL  69          HG22      VAL  69  15.945  -2.143  17.326
  516   3HG2  VAL  69          HG23      VAL  69  14.998  -1.199  18.494
  517    H    MET  70           H        MET  70  20.302  -1.274  18.622
  518    HA   MET  70           HA       MET  70  21.154   1.413  19.599
  519   1HB   MET  70          HB2       MET  70  22.260  -1.311  20.393
  520   2HB   MET  70          HB3       MET  70  23.067   0.226  20.727
  521   1HG   MET  70          HG2       MET  70  21.116   0.987  22.048
  522   2HG   MET  70          HG3       MET  70  20.316  -0.551  21.743
  523   1HE   MET  70          HE1       MET  70  24.136   0.257  22.783
  524   2HE   MET  70          HE2       MET  70  23.082   1.360  23.699
  525   3HE   MET  70          HE3       MET  70  23.963   0.067  24.538
  526    H    SER  71           H        SER  71  21.012  -0.478  16.959
  527    HA   SER  71           HA       SER  71  23.389   0.635  15.718
  528   1HB   SER  71          HB2       SER  71  22.693  -2.341  15.571
  529   2HB   SER  71          HB3       SER  71  24.017  -1.530  14.720
  530    HG   SER  71           HG       SER  71  24.719  -2.627  16.608
  531    H    ILE  72           H        ILE  72  23.104   0.463  13.288
  532    HA   ILE  72           HA       ILE  72  20.416  -0.186  12.372
  533    HB   ILE  72           HB       ILE  72  20.212   1.947  11.137
  534   1HG1  ILE  72          HG12      ILE  72  22.387   3.037  12.980
  535   2HG1  ILE  72          HG13      ILE  72  22.620   2.662  11.271
  536   1HG2  ILE  72          HG21      ILE  72  19.023   1.456  13.309
  537   2HG2  ILE  72          HG22      ILE  72  20.255   2.424  14.139
  538   3HG2  ILE  72          HG23      ILE  72  19.190   3.168  12.930
  539   1HD1  ILE  72          HD11      ILE  72  20.853   4.289  10.670
  540   2HD1  ILE  72          HD12      ILE  72  20.711   4.762  12.378
  541   3HD1  ILE  72          HD13      ILE  72  22.227   5.038  11.504
  542    HA   PRO  73           HA       PRO  73  19.462   0.258   9.994
  543   1HB   PRO  73          HB2       PRO  73  18.926  -1.691   8.154
  544   2HB   PRO  73          HB3       PRO  73  19.602  -0.095   7.723
  545   1HG   PRO  73          HG2       PRO  73  21.084  -2.708   8.119
  546   2HG   PRO  73          HG3       PRO  73  21.270  -1.521   6.792
  547   1HD   PRO  73          HD2       PRO  73  22.957  -1.573   8.942
  548   2HD   PRO  73          HD3       PRO  73  22.476  -0.038   8.162
  549    H    THR  74           H        THR  74  17.865  -0.700  11.166
  550    HA   THR  74           HA       THR  74  18.147  -3.571  11.913
  551    HB   THR  74           HB       THR  74  17.586  -1.237  13.780
  552    HG1  THR  74           HG1      THR  74  19.572  -1.596  14.274
  553   1HG2  THR  74          HG21      THR  74  17.362  -3.063  15.542
  554   2HG2  THR  74          HG22      THR  74  15.998  -2.924  14.427
  555   3HG2  THR  74          HG23      THR  74  17.180  -4.229  14.217
  556    H    LEU  75           H        LEU  75  16.193  -4.673  11.937
  557    HA   LEU  75           HA       LEU  75  13.995  -3.231  10.548
  558   1HB   LEU  75          HB2       LEU  75  15.014  -6.050  10.104
  559   2HB   LEU  75          HB3       LEU  75  13.645  -5.313   9.291
  560    HG   LEU  75           HG       LEU  75  16.566  -4.459   9.039
  561   1HD1  LEU  75          HD11      LEU  75  16.400  -5.344   6.758
  562   2HD1  LEU  75          HD12      LEU  75  16.038  -6.606   7.942
  563   3HD1  LEU  75          HD13      LEU  75  14.715  -5.830   7.047
  564   1HD2  LEU  75          HD21      LEU  75  14.115  -3.323   7.635
  565   2HD2  LEU  75          HD22      LEU  75  15.227  -2.479   8.728
  566   3HD2  LEU  75          HD23      LEU  75  15.798  -3.022   7.152
  567    H    LEU  76           H        LEU  76  12.068  -3.410  11.580
  568    HA   LEU  76           HA       LEU  76  11.740  -5.534  13.701
  569   1HB   LEU  76          HB2       LEU  76  10.922  -2.604  13.644
  570   2HB   LEU  76          HB3       LEU  76   9.970  -3.774  14.527
  571    HG   LEU  76           HG       LEU  76  11.547  -2.450  15.935
  572   1HD1  LEU  76          HD11      LEU  76  10.666  -4.577  16.729
  573   2HD1  LEU  76          HD12      LEU  76  11.951  -5.472  15.898
  574   3HD1  LEU  76          HD13      LEU  76  12.346  -4.397  17.252
  575   1HD2  LEU  76          HD21      LEU  76  13.759  -4.110  14.676
  576   2HD2  LEU  76          HD22      LEU  76  13.453  -2.404  14.315
  577   3HD2  LEU  76          HD23      LEU  76  13.900  -2.896  15.960
  578    H    VAL  77           H        VAL  77  10.157  -6.919  13.129
  579    HA   VAL  77           HA       VAL  77   8.379  -6.098  10.871
  580    HB   VAL  77           HB       VAL  77   8.597  -8.900  11.960
  581   1HG1  VAL  77          HG11      VAL  77   7.772  -9.465   9.692
  582   2HG1  VAL  77          HG12      VAL  77   6.679  -8.341  10.512
  583   3HG1  VAL  77          HG13      VAL  77   7.781  -7.746   9.254
  584   1HG2  VAL  77          HG21      VAL  77  10.907  -8.408  11.281
  585   2HG2  VAL  77          HG22      VAL  77  10.139  -9.481  10.115
  586   3HG2  VAL  77          HG23      VAL  77  10.334  -7.759   9.730
  587    H    LEU  78           H        LEU  78   6.323  -5.628  11.476
  588    HA   LEU  78           HA       LEU  78   5.412  -6.418  14.188
  589   1HB   LEU  78          HB2       LEU  78   4.853  -3.775  12.758
  590   2HB   LEU  78          HB3       LEU  78   4.068  -4.342  14.222
  591    HG   LEU  78           HG       LEU  78   6.635  -4.539  15.062
  592   1HD1  LEU  78          HD11      LEU  78   7.646  -3.687  13.000
  593   2HD1  LEU  78          HD12      LEU  78   6.696  -2.205  13.115
  594   3HD1  LEU  78          HD13      LEU  78   7.924  -2.572  14.341
  595   1HD2  LEU  78          HD21      LEU  78   6.354  -2.438  16.234
  596   2HD2  LEU  78          HD22      LEU  78   5.070  -1.939  15.116
  597   3HD2  LEU  78          HD23      LEU  78   4.821  -3.313  16.206
  598    H    LYS  79           H        LYS  79   3.151  -6.812  14.304
  599    HA   LYS  79           HA       LYS  79   1.726  -7.075  11.713
  600   1HB   LYS  79          HB2       LYS  79   2.774  -9.273  12.323
  601   2HB   LYS  79          HB3       LYS  79   1.827  -9.282  13.820
  602   1HG   LYS  79          HG2       LYS  79  -0.258  -9.197  12.419
  603   2HG   LYS  79          HG3       LYS  79   0.761  -9.224  10.961
  604   1HD   LYS  79          HD2       LYS  79   1.722 -11.410  11.733
  605   2HD   LYS  79          HD3       LYS  79   0.585 -11.420  13.080
  606   1HE   LYS  79          HE2       LYS  79  -0.177 -11.353  10.118
  607   2HE   LYS  79          HE3       LYS  79  -0.094 -12.815  11.096
  608   1HZ   LYS  79          HZ1       LYS  79  -1.850 -11.907  12.510
  609   2HZ   LYS  79          HZ2       LYS  79  -1.962 -10.564  11.578
  610   3HZ   LYS  79          HZ3       LYS  79  -2.346 -12.021  10.965
  611    H    ASP  80           H        ASP  80  -0.002  -5.852  11.952
  612    HA   ASP  80           HA       ASP  80  -1.722  -4.703  12.817
  613   1HB   ASP  80          HB2       ASP  80  -2.624  -6.988  12.743
  614   2HB   ASP  80          HB3       ASP  80  -2.151  -7.238  14.425
  615    H    GLY  81           H        GLY  81   0.678  -3.978  13.986
  616   1HA   GLY  81          HA2       GLY  81   0.898  -2.136  15.360
  617   2HA   GLY  81          HA3       GLY  81  -0.395  -2.705  16.408
  618    H    GLU  82           H        GLU  82   1.559  -5.429  16.202
  619    HA   GLU  82           HA       GLU  82   3.367  -4.492  18.373
  620   1HB   GLU  82          HB2       GLU  82   2.814  -6.383  19.664
  621   2HB   GLU  82          HB3       GLU  82   1.294  -5.636  19.141
  622   1HG   GLU  82          HG2       GLU  82   1.018  -7.373  17.408
  623   2HG   GLU  82          HG3       GLU  82   2.530  -8.135  17.912
  624    H    VAL  83           H        VAL  83   5.364  -5.681  18.584
  625    HA   VAL  83           HA       VAL  83   6.552  -6.364  16.068
  626    HB   VAL  83           HB       VAL  83   7.584  -6.891  18.878
  627   1HG1  VAL  83          HG11      VAL  83   8.836  -8.165  17.166
  628   2HG1  VAL  83          HG12      VAL  83   9.037  -6.694  16.190
  629   3HG1  VAL  83          HG13      VAL  83   9.820  -6.839  17.778
  630   1HG2  VAL  83          HG21      VAL  83   8.866  -4.796  18.557
  631   2HG2  VAL  83          HG22      VAL  83   8.015  -4.492  17.032
  632   3HG2  VAL  83          HG23      VAL  83   7.132  -4.478  18.576
  633    H    VAL  84           H        VAL  84   6.705  -8.155  15.036
  634    HA   VAL  84           HA       VAL  84   5.955 -10.707  16.342
  635    HB   VAL  84           HB       VAL  84   4.335  -9.674  14.673
  636   1HG1  VAL  84          HG11      VAL  84   5.801  -8.875  12.941
  637   2HG1  VAL  84          HG12      VAL  84   6.465 -10.497  12.664
  638   3HG1  VAL  84          HG13      VAL  84   4.785 -10.147  12.262
  639   1HG2  VAL  84          HG21      VAL  84   5.333 -12.490  14.206
  640   2HG2  VAL  84          HG22      VAL  84   4.130 -11.955  15.392
  641   3HG2  VAL  84          HG23      VAL  84   3.766 -11.830  13.665
  642    H    GLU  85           H        GLU  85   8.501  -8.936  14.560
  643    HA   GLU  85           HA       GLU  85  10.281 -11.140  15.187
  644   1HB   GLU  85          HB2       GLU  85   9.210 -10.927  12.463
  645   2HB   GLU  85          HB3       GLU  85  10.940 -10.691  12.449
  646   1HG   GLU  85          HG2       GLU  85   9.561 -13.100  13.707
  647   2HG   GLU  85          HG3       GLU  85  10.169 -13.026  12.062
  648    H    THR  86           H        THR  86  12.611 -10.526  14.525
  649    HA   THR  86           HA       THR  86  13.030  -7.659  13.983
  650    HB   THR  86           HB       THR  86  14.273  -9.075  16.368
  651    HG1  THR  86           HG1      THR  86  11.870  -7.915  16.111
  652   1HG2  THR  86          HG21      THR  86  14.891  -6.747  17.083
  653   2HG2  THR  86          HG22      THR  86  15.696  -7.268  15.598
  654   3HG2  THR  86          HG23      THR  86  14.318  -6.155  15.507
  655    H    SER  87           H        SER  87  14.972  -7.308  12.905
  656    HA   SER  87           HA       SER  87  17.007  -9.432  12.706
  657   1HB   SER  87          HB2       SER  87  15.652  -8.162  10.280
  658   2HB   SER  87          HB3       SER  87  17.052  -9.242  10.246
  659    HG   SER  87           HG       SER  87  15.144 -10.383   9.831
  660    H    VAL  88           H        VAL  88  19.077  -8.506  11.897
  661    HA   VAL  88           HA       VAL  88  19.242  -5.541  12.104
  662    HB   VAL  88           HB       VAL  88  21.021  -7.544  13.536
  663   1HG1  VAL  88          HG11      VAL  88  20.932  -4.497  13.652
  664   2HG1  VAL  88          HG12      VAL  88  21.917  -5.531  14.706
  665   3HG1  VAL  88          HG13      VAL  88  22.239  -5.492  12.974
  666   1HG2  VAL  88          HG21      VAL  88  18.870  -5.727  14.708
  667   2HG2  VAL  88          HG22      VAL  88  18.842  -7.503  14.693
  668   3HG2  VAL  88          HG23      VAL  88  20.050  -6.655  15.652
  669    H    GLY  89           H        GLY  89  20.861  -4.634  10.777
  670   1HA   GLY  89          HA2       GLY  89  22.579  -4.551   9.254
  671   2HA   GLY  89          HA3       GLY  89  22.878  -6.276   9.480
  672    H    PHE  90           H        PHE  90  23.211  -5.897   7.058
  673    HA   PHE  90           HA       PHE  90  21.021  -5.401   5.314
  674   1HB   PHE  90          HB2       PHE  90  23.401  -5.129   4.719
  675   2HB   PHE  90          HB3       PHE  90  23.651  -6.864   4.849
  676    HD1  PHE  90           HD1      PHE  90  22.192  -4.150   2.809
  677    HD2  PHE  90           HD2      PHE  90  22.838  -8.406   3.097
  678    HE1  PHE  90           HE1      PHE  90  21.518  -4.418   0.433
  679    HE2  PHE  90           HE2      PHE  90  22.158  -8.666   0.726
  680    HZ   PHE  90           HZ       PHE  90  21.490  -6.676  -0.607
  681    H    LYS  91           H        LYS  91  19.787  -6.841   4.021
  682    HA   LYS  91           HA       LYS  91  20.213  -9.692   4.154
  683   1HB   LYS  91          HB2       LYS  91  17.635  -8.442   5.215
  684   2HB   LYS  91          HB3       LYS  91  17.597  -9.960   4.332
  685   1HG   LYS  91          HG2       LYS  91  17.868 -10.933   6.319
  686   2HG   LYS  91          HG3       LYS  91  19.570 -10.606   6.051
  687   1HD   LYS  91          HD2       LYS  91  19.051  -8.330   7.345
  688   2HD   LYS  91          HD3       LYS  91  17.570  -9.165   7.816
  689   1HE   LYS  91          HE2       LYS  91  18.985  -9.792   9.572
  690   2HE   LYS  91          HE3       LYS  91  19.181 -11.149   8.460
  691   1HZ   LYS  91          HZ1       LYS  91  21.154  -9.654   7.607
  692   2HZ   LYS  91          HZ2       LYS  91  21.030  -8.980   9.101
  693   3HZ   LYS  91          HZ3       LYS  91  21.344 -10.576   8.965
  694    HA   PRO  92           HA       PRO  92  19.073  -8.676  -0.066
  695   1HB   PRO  92          HB2       PRO  92  18.862 -11.171  -1.173
  696   2HB   PRO  92          HB3       PRO  92  20.430 -10.460  -0.688
  697   1HG   PRO  92          HG2       PRO  92  18.697 -12.391   0.886
  698   2HG   PRO  92          HG3       PRO  92  20.457 -12.499   0.558
  699   1HD   PRO  92          HD2       PRO  92  19.477 -11.469   2.891
  700   2HD   PRO  92          HD3       PRO  92  20.947 -10.805   2.121
  701    H    LYS  93           H        LYS  93  17.220  -8.910  -1.536
  702    HA   LYS  93           HA       LYS  93  14.740  -8.707  -0.241
  703   1HB   LYS  93          HB2       LYS  93  13.739  -8.748  -2.493
  704   2HB   LYS  93          HB3       LYS  93  15.078  -7.625  -2.332
  705   1HG   LYS  93          HG2       LYS  93  16.567  -9.411  -3.430
  706   2HG   LYS  93          HG3       LYS  93  15.076 -10.321  -3.749
  707   1HD   LYS  93          HD2       LYS  93  14.181  -8.323  -4.971
  708   2HD   LYS  93          HD3       LYS  93  15.734  -7.489  -4.673
  709   1HE   LYS  93          HE2       LYS  93  16.945  -9.167  -5.955
  710   2HE   LYS  93          HE3       LYS  93  15.515 -10.201  -6.071
  711   1HZ   LYS  93          HZ1       LYS  93  15.705  -7.512  -7.311
  712   2HZ   LYS  93          HZ2       LYS  93  15.964  -8.924  -8.108
  713   3HZ   LYS  93          HZ3       LYS  93  14.487  -8.593  -7.504
  714    H    GLU  94           H        GLU  94  16.221 -11.611  -1.602
  715    HA   GLU  94           HA       GLU  94  13.858 -13.215  -1.531
  716   1HB   GLU  94          HB2       GLU  94  16.800 -13.983  -1.274
  717   2HB   GLU  94          HB3       GLU  94  15.469 -15.138  -1.453
  718   1HG   GLU  94          HG2       GLU  94  14.844 -14.070  -3.618
  719   2HG   GLU  94          HG3       GLU  94  16.215 -12.970  -3.467
  720    H    ALA  95           H        ALA  95  16.485 -12.726   0.910
  721    HA   ALA  95           HA       ALA  95  15.305 -14.396   2.890
  722   1HB   ALA  95          HB1       ALA  95  16.865 -13.266   4.439
  723   2HB   ALA  95          HB2       ALA  95  17.685 -13.742   2.940
  724   3HB   ALA  95          HB3       ALA  95  17.217 -12.043   3.203
  725    H    LEU  96           H        LEU  96  15.043 -10.904   2.190
  726    HA   LEU  96           HA       LEU  96  13.404 -10.233   4.406
  727   1HB   LEU  96          HB2       LEU  96  13.600  -9.045   1.627
  728   2HB   LEU  96          HB3       LEU  96  12.661  -8.328   2.929
  729    HG   LEU  96           HG       LEU  96  15.667  -8.798   3.126
  730   1HD1  LEU  96          HD11      LEU  96  14.182  -6.227   2.450
  731   2HD1  LEU  96          HD12      LEU  96  15.933  -6.403   2.702
  732   3HD1  LEU  96          HD13      LEU  96  15.165  -7.192   1.329
  733   1HD2  LEU  96          HD21      LEU  96  15.518  -7.168   4.988
  734   2HD2  LEU  96          HD22      LEU  96  13.749  -7.156   4.832
  735   3HD2  LEU  96          HD23      LEU  96  14.605  -8.639   5.323
  736    H    GLN  97           H        GLN  97  12.491 -11.331   1.103
  737    HA   GLN  97           HA       GLN  97   9.682 -11.173   1.570
  738   1HB   GLN  97          HB2       GLN  97  11.431 -12.797  -0.321
  739   2HB   GLN  97          HB3       GLN  97   9.704 -13.147  -0.211
  740   1HG   GLN  97          HG2       GLN  97   9.071 -10.979  -0.889
  741   2HG   GLN  97          HG3       GLN  97  10.719 -10.347  -0.726
  742   1HE2  GLN  97          HE22      GLN  97  12.361 -11.057  -2.190
  743   2HE2  GLN  97          HE21      GLN  97  11.944 -11.608  -3.813
  744    H    GLU  98           H        GLU  98  12.056 -13.773   2.187
  745    HA   GLU  98           HA       GLU  98  10.100 -15.674   3.029
  746   1HB   GLU  98          HB2       GLU  98  13.072 -15.425   3.618
  747   2HB   GLU  98          HB3       GLU  98  12.078 -16.718   4.298
  748   1HG   GLU  98          HG2       GLU  98  11.391 -17.413   2.021
  749   2HG   GLU  98          HG3       GLU  98  12.426 -16.175   1.319
  750    H    LEU  99           H        LEU  99  11.910 -13.183   4.845
  751    HA   LEU  99           HA       LEU  99  10.964 -13.812   7.423
  752   1HB   LEU  99          HB2       LEU  99  12.900 -12.416   6.971
  753   2HB   LEU  99          HB3       LEU  99  11.923 -11.261   6.074
  754    HG   LEU  99           HG       LEU  99  10.700 -10.655   8.105
  755   1HD1  LEU  99          HD11      LEU  99  10.870 -12.667   9.452
  756   2HD1  LEU  99          HD12      LEU  99  12.648 -12.589   9.443
  757   3HD1  LEU  99          HD13      LEU  99  11.699 -11.375  10.326
  758   1HD2  LEU  99          HD21      LEU  99  12.623  -9.432   9.149
  759   2HD2  LEU  99          HD22      LEU  99  13.734 -10.459   8.209
  760   3HD2  LEU  99          HD23      LEU  99  12.621  -9.359   7.379
  761    H    VAL 100           H        VAL 100   9.648 -11.531   4.918
  762    HA   VAL 100           HA       VAL 100   7.357 -10.715   6.374
  763    HB   VAL 100           HB       VAL 100   7.872 -11.058   3.393
  764   1HG1  VAL 100          HG11      VAL 100   5.574  -9.583   4.732
  765   2HG1  VAL 100          HG12      VAL 100   6.020  -9.443   3.014
  766   3HG1  VAL 100          HG13      VAL 100   5.461 -10.989   3.655
  767   1HG2  VAL 100          HG21      VAL 100   8.475  -8.813   3.295
  768   2HG2  VAL 100          HG22      VAL 100   7.794  -8.433   4.908
  769   3HG2  VAL 100          HG23      VAL 100   9.286  -9.357   4.754
  770    H    ASN 101           H        ASN 101   7.928 -13.502   4.244
  771    HA   ASN 101           HA       ASN 101   5.292 -14.450   4.105
  772   1HB   ASN 101          HB2       ASN 101   7.313 -15.016   2.652
  773   2HB   ASN 101          HB3       ASN 101   7.765 -16.195   3.890
  774   1HD2  ASN 101          HD22      ASN 101   5.750 -15.476   1.175
  775   2HD2  ASN 101          HD21      ASN 101   4.831 -16.960   1.164
  776    H    LYS 102           H        LYS 102   7.673 -14.887   6.687
  777    HA   LYS 102           HA       LYS 102   6.496 -17.084   8.052
  778   1HB   LYS 102          HB2       LYS 102   7.819 -14.608   9.237
  779   2HB   LYS 102          HB3       LYS 102   7.451 -16.084  10.117
  780   1HG   LYS 102          HG2       LYS 102   9.011 -17.347   8.628
  781   2HG   LYS 102          HG3       LYS 102   9.399 -15.832   7.806
  782   1HD   LYS 102          HD2       LYS 102  11.152 -16.305   9.346
  783   2HD   LYS 102          HD3       LYS 102  10.274 -14.879   9.914
  784   1HE   LYS 102          HE2       LYS 102   9.131 -16.173  11.626
  785   2HE   LYS 102          HE3       LYS 102   9.742 -17.691  10.954
  786   1HZ   LYS 102          HZ1       LYS 102  11.435 -15.599  12.240
  787   2HZ   LYS 102          HZ2       LYS 102  11.008 -17.037  12.883
  788   3HZ   LYS 102          HZ3       LYS 102  11.980 -16.999  11.581
  789    H    HIS 103           H        HIS 103   5.243 -13.827   7.619
  790    HA   HIS 103           HA       HIS 103   3.297 -14.245   9.846
  791   1HB   HIS 103          HB2       HIS 103   4.440 -11.646   8.777
  792   2HB   HIS 103          HB3       HIS 103   3.445 -11.859  10.216
  793    HD1  HIS 103           HD1      HIS 103   4.805 -13.766  12.054
  794    HD2  HIS 103           HD2      HIS 103   6.979 -11.551   9.215
  795    HE1  HIS 103           HE1      HIS 103   7.235 -13.802  12.818
  796    H    LEU 104           H        LEU 104   3.445 -13.999   6.453
  797    HA   LEU 104           HA       LEU 104   1.016 -12.580   5.927
  798   1HB   LEU 104          HB2       LEU 104   2.367 -14.840   4.390
  799   2HB   LEU 104          HB3       LEU 104   0.984 -13.922   3.810
  800    HG   LEU 104           HG       LEU 104   3.757 -12.794   4.363
  801   1HD1  LEU 104          HD11      LEU 104   3.563 -14.210   2.334
  802   2HD1  LEU 104          HD12      LEU 104   2.236 -13.185   1.753
  803   3HD1  LEU 104          HD13      LEU 104   3.868 -12.513   1.941
  804   1HD2  LEU 104          HD21      LEU 104   1.235 -11.407   3.380
  805   2HD2  LEU 104          HD22      LEU 104   2.164 -11.032   4.849
  806   3HD2  LEU 104          HD23      LEU 104   2.870 -10.713   3.267
  Start of MODEL    9
    1   1H    MET   1          H1        MET   1   5.940   3.658  -2.757
    2   2H    MET   1          H2        MET   1   6.159   2.099  -3.221
    3   3H    MET   1          H3        MET   1   5.550   3.202  -4.279
    4    HA   MET   1           HA       MET   1   3.581   3.488  -2.953
    5   1HB   MET   1          HB2       MET   1   4.148   0.624  -3.798
    6   2HB   MET   1          HB3       MET   1   2.583   1.182  -3.204
    7   1HG   MET   1          HG2       MET   1   2.484   2.861  -5.018
    8   2HG   MET   1          HG3       MET   1   4.026   2.267  -5.649
    9   1HE   MET   1          HE1       MET   1   1.394   2.593  -7.402
   10   2HE   MET   1          HE2       MET   1   2.945   2.000  -8.042
   11   3HE   MET   1          HE3       MET   1   1.449   1.093  -8.354
   12    H    ALA   2           H        ALA   2   5.085   0.418  -1.639
   13    HA   ALA   2           HA       ALA   2   3.515   0.601   0.659
   14   1HB   ALA   2          HB1       ALA   2   4.489  -1.516  -0.235
   15   2HB   ALA   2          HB2       ALA   2   6.112  -0.915   0.229
   16   3HB   ALA   2          HB3       ALA   2   4.914  -1.301   1.472
   17    H    ILE   3           H        ILE   3   6.350   2.059   0.113
   18    HA   ILE   3           HA       ILE   3   7.376   2.008   2.819
   19    HB   ILE   3           HB       ILE   3   8.242   3.477   0.335
   20   1HG1  ILE   3          HG12      ILE   3   9.753   1.132   1.505
   21   2HG1  ILE   3          HG13      ILE   3   8.255   0.775   0.647
   22   1HG2  ILE   3          HG21      ILE   3   9.212   4.648   2.265
   23   2HG2  ILE   3          HG22      ILE   3   9.727   3.110   2.991
   24   3HG2  ILE   3          HG23      ILE   3  10.484   3.696   1.492
   25   1HD1  ILE   3          HD11      ILE   3  10.159   0.663  -0.861
   26   2HD1  ILE   3          HD12      ILE   3   9.005   1.938  -1.325
   27   3HD1  ILE   3          HD13      ILE   3  10.552   2.367  -0.538
   28    H    VAL   4           H        VAL   4   7.274   3.459   4.374
   29    HA   VAL   4           HA       VAL   4   5.878   6.051   4.015
   30    HB   VAL   4           HB       VAL   4   5.432   4.109   6.313
   31   1HG1  VAL   4          HG11      VAL   4   4.749   6.400   6.821
   32   2HG1  VAL   4          HG12      VAL   4   3.802   6.483   5.313
   33   3HG1  VAL   4          HG13      VAL   4   3.322   5.399   6.631
   34   1HG2  VAL   4          HG21      VAL   4   3.715   4.278   3.803
   35   2HG2  VAL   4          HG22      VAL   4   4.579   2.857   4.428
   36   3HG2  VAL   4          HG23      VAL   4   3.211   3.497   5.319
   37    H    LYS   5           H        LYS   5   6.362   7.473   5.921
   38    HA   LYS   5           HA       LYS   5   8.913   6.922   7.374
   39   1HB   LYS   5          HB2       LYS   5   8.760   8.655   5.226
   40   2HB   LYS   5          HB3       LYS   5   8.398   9.710   6.577
   41   1HG   LYS   5          HG2       LYS   5  10.854   7.923   6.214
   42   2HG   LYS   5          HG3       LYS   5  10.795   9.665   5.995
   43   1HD   LYS   5          HD2       LYS   5  10.699   8.109   8.596
   44   2HD   LYS   5          HD3       LYS   5  11.871   9.325   8.067
   45   1HE   LYS   5          HE2       LYS   5  10.020  11.028   8.059
   46   2HE   LYS   5          HE3       LYS   5   8.945   9.762   8.680
   47   1HZ   LYS   5          HZ1       LYS   5  10.215   9.703  10.710
   48   2HZ   LYS   5          HZ2       LYS   5  11.369  10.730  10.108
   49   3HZ   LYS   5          HZ3       LYS   5   9.867  11.271  10.408
   50    H    ALA   6           H        ALA   6   8.704   7.293   9.473
   51    HA   ALA   6           HA       ALA   6   6.230   8.609  10.505
   52   1HB   ALA   6          HB1       ALA   6   5.768   6.181  10.160
   53   2HB   ALA   6          HB2       ALA   6   7.163   5.781  11.190
   54   3HB   ALA   6          HB3       ALA   6   5.751   6.610  11.876
   55    H    THR   7           H        THR   7   6.270   8.447  12.980
   56    HA   THR   7           HA       THR   7   8.882   8.478  14.259
   57    HB   THR   7           HB       THR   7   8.070  10.477  15.647
   58    HG1  THR   7           HG1      THR   7   6.413  10.819  13.368
   59   1HG2  THR   7          HG21      THR   7   8.885  12.214  14.108
   60   2HG2  THR   7          HG22      THR   7   9.928  10.788  14.109
   61   3HG2  THR   7          HG23      THR   7   8.805  11.065  12.754
   62    H    ASP   8           H        ASP   8   8.397   8.377  16.734
   63    HA   ASP   8           HA       ASP   8   6.669   6.348  17.444
   64   1HB   ASP   8          HB2       ASP   8   8.422   7.368  18.913
   65   2HB   ASP   8          HB3       ASP   8   7.366   8.748  19.164
   66    H    GLN   9           H        GLN   9   5.812   9.691  16.926
   67    HA   GLN   9           HA       GLN   9   3.358   9.961  18.240
   68   1HB   GLN   9          HB2       GLN   9   4.172  11.088  15.529
   69   2HB   GLN   9          HB3       GLN   9   2.904  11.722  16.577
   70   1HG   GLN   9          HG2       GLN   9   4.580  12.303  18.300
   71   2HG   GLN   9          HG3       GLN   9   5.876  11.659  17.283
   72   1HE2  GLN   9          HE22      GLN   9   6.041  12.629  15.004
   73   2HE2  GLN   9          HE21      GLN   9   5.782  14.360  14.879
   74    H    SER  10           H        SER  10   4.097   8.264  15.226
   75    HA   SER  10           HA       SER  10   1.225   7.504  14.897
   76   1HB   SER  10          HB2       SER  10   3.066   8.441  12.664
   77   2HB   SER  10          HB3       SER  10   1.350   8.026  12.536
   78    HG   SER  10           HG       SER  10   1.692  10.288  12.650
   79    H    PHE  11           H        PHE  11   4.493   6.442  14.983
   80    HA   PHE  11           HA       PHE  11   4.649   4.435  13.102
   81   1HB   PHE  11          HB2       PHE  11   6.473   5.200  14.571
   82   2HB   PHE  11          HB3       PHE  11   5.692   4.470  15.967
   83    HD1  PHE  11           HD1      PHE  11   7.467   3.822  12.774
   84    HD2  PHE  11           HD2      PHE  11   5.879   2.061  16.381
   85    HE1  PHE  11           HE1      PHE  11   8.755   1.764  12.333
   86    HE2  PHE  11           HE2      PHE  11   7.149  -0.016  15.912
   87    HZ   PHE  11           HZ       PHE  11   8.601  -0.171  13.915
   88    H    SER  12           H        SER  12   3.138   4.183  16.379
   89    HA   SER  12           HA       SER  12   2.528   1.456  16.229
   90   1HB   SER  12          HB2       SER  12   0.912   3.586  17.670
   91   2HB   SER  12          HB3       SER  12   1.097   1.879  18.116
   92    HG   SER  12           HG       SER  12   2.445   3.273  19.355
   93    H    ALA  13           H        ALA  13   0.740   4.245  14.929
   94    HA   ALA  13           HA       ALA  13  -1.632   2.728  14.306
   95   1HB   ALA  13          HB1       ALA  13  -1.708   5.185  14.609
   96   2HB   ALA  13          HB2       ALA  13  -0.664   5.396  13.182
   97   3HB   ALA  13          HB3       ALA  13  -2.285   4.704  13.003
   98    H    GLU  14           H        GLU  14   1.282   3.787  12.536
   99    HA   GLU  14           HA       GLU  14   0.503   2.744  10.001
  100   1HB   GLU  14          HB2       GLU  14   3.274   3.251  11.175
  101   2HB   GLU  14          HB3       GLU  14   2.988   2.790   9.503
  102   1HG   GLU  14          HG2       GLU  14   2.035   5.338  10.859
  103   2HG   GLU  14          HG3       GLU  14   3.319   5.190   9.665
  104    H    THR  15           H        THR  15   2.300   1.233  12.725
  105    HA   THR  15           HA       THR  15   2.697  -1.212  11.283
  106    HB   THR  15           HB       THR  15   3.526  -1.994  13.532
  107    HG1  THR  15           HG1      THR  15   3.345   0.744  14.200
  108   1HG2  THR  15          HG21      THR  15   4.734   0.513  12.272
  109   2HG2  THR  15          HG22      THR  15   5.558  -0.535  13.435
  110   3HG2  THR  15          HG23      THR  15   5.086  -1.179  11.861
  111    H    SER  16           H        SER  16  -0.164  -0.046  12.335
  112    HA   SER  16           HA       SER  16  -1.155  -2.680  13.231
  113   1HB   SER  16          HB2       SER  16  -2.348   0.092  13.599
  114   2HB   SER  16          HB3       SER  16  -3.087  -1.429  14.133
  115    HG   SER  16           HG       SER  16  -0.738  -0.166  15.059
  116    H    GLU  17           H        GLU  17  -0.523  -2.130  10.461
  117    HA   GLU  17           HA       GLU  17  -3.222  -2.516   9.284
  118   1HB   GLU  17          HB2       GLU  17  -1.021  -0.778   8.101
  119   2HB   GLU  17          HB3       GLU  17  -2.537  -1.225   7.303
  120   1HG   GLU  17          HG2       GLU  17  -3.734  -0.168   9.322
  121   2HG   GLU  17          HG3       GLU  17  -2.176   0.564   9.720
  122    H    GLY  18           H        GLY  18  -1.903  -4.665  10.095
  123   1HA   GLY  18          HA2       GLY  18  -1.772  -6.779   9.001
  124   2HA   GLY  18          HA3       GLY  18  -1.178  -5.993   7.532
  125    H    VAL  19           H        VAL  19   0.657  -7.440   7.530
  126    HA   VAL  19           HA       VAL  19   2.671  -7.208   9.655
  127    HB   VAL  19           HB       VAL  19   2.899  -8.352   6.834
  128   1HG1  VAL  19          HG11      VAL  19   5.014  -9.406   7.802
  129   2HG1  VAL  19          HG12      VAL  19   5.132  -7.654   7.582
  130   3HG1  VAL  19          HG13      VAL  19   4.835  -8.334   9.196
  131   1HG2  VAL  19          HG21      VAL  19   1.406  -9.692   8.325
  132   2HG2  VAL  19          HG22      VAL  19   2.919 -10.534   7.972
  133   3HG2  VAL  19          HG23      VAL  19   2.698  -9.745   9.546
  134    H    VAL  20           H        VAL  20   4.284  -5.722   9.685
  135    HA   VAL  20           HA       VAL  20   4.636  -3.854   7.424
  136    HB   VAL  20           HB       VAL  20   4.245  -3.081  10.355
  137   1HG1  VAL  20          HG11      VAL  20   4.286  -0.748   9.476
  138   2HG1  VAL  20          HG12      VAL  20   5.831  -1.565   9.249
  139   3HG1  VAL  20          HG13      VAL  20   4.729  -1.377   7.875
  140   1HG2  VAL  20          HG21      VAL  20   2.202  -1.816   9.295
  141   2HG2  VAL  20          HG22      VAL  20   2.368  -2.952   7.966
  142   3HG2  VAL  20          HG23      VAL  20   2.058  -3.541   9.604
  143    H    LEU  21           H        LEU  21   6.796  -3.392   7.128
  144    HA   LEU  21           HA       LEU  21   8.734  -4.710   8.995
  145   1HB   LEU  21          HB2       LEU  21   8.389  -5.719   6.731
  146   2HB   LEU  21          HB3       LEU  21   9.003  -4.223   6.008
  147    HG   LEU  21           HG       LEU  21  10.462  -6.252   7.745
  148   1HD1  LEU  21          HD11      LEU  21  11.831  -6.596   5.754
  149   2HD1  LEU  21          HD12      LEU  21  10.126  -6.795   5.340
  150   3HD1  LEU  21          HD13      LEU  21  10.970  -5.297   4.896
  151   1HD2  LEU  21          HD21      LEU  21  12.547  -4.926   7.313
  152   2HD2  LEU  21          HD22      LEU  21  11.529  -3.568   6.794
  153   3HD2  LEU  21          HD23      LEU  21  11.444  -4.189   8.467
  154    H    ALA  22           H        ALA  22   9.390  -3.090  10.303
  155    HA   ALA  22           HA       ALA  22   9.595  -0.342   9.296
  156   1HB   ALA  22          HB1       ALA  22  10.036  -1.596  12.024
  157   2HB   ALA  22          HB2       ALA  22  10.170   0.138  11.669
  158   3HB   ALA  22          HB3       ALA  22   8.598  -0.688  11.497
  159    H    ASP  23           H        ASP  23  11.553   0.767   9.245
  160    HA   ASP  23           HA       ASP  23  14.089  -0.809   9.334
  161   1HB   ASP  23          HB2       ASP  23  13.517  -0.611   7.021
  162   2HB   ASP  23          HB3       ASP  23  13.062   1.085   7.204
  163    H    PHE  24           H        PHE  24  14.796  -0.077  11.203
  164    HA   PHE  24           HA       PHE  24  14.687   2.724  12.063
  165   1HB   PHE  24          HB2       PHE  24  15.848   0.163  13.248
  166   2HB   PHE  24          HB3       PHE  24  16.106   1.751  13.942
  167    HD1  PHE  24           HD1      PHE  24  13.230  -0.440  12.779
  168    HD2  PHE  24           HD2      PHE  24  14.638   2.483  15.627
  169    HE1  PHE  24           HE1      PHE  24  11.023  -0.439  13.893
  170    HE2  PHE  24           HE2      PHE  24  12.427   2.467  16.722
  171    HZ   PHE  24           HZ       PHE  24  10.589   1.049  15.815
  172    H    TRP  25           H        TRP  25  16.062   4.113  11.201
  173    HA   TRP  25           HA       TRP  25  18.783   3.374  10.494
  174   1HB   TRP  25          HB2       TRP  25  18.473   3.151   8.305
  175   2HB   TRP  25          HB3       TRP  25  16.758   3.126   8.564
  176    HD1  TRP  25           HD1      TRP  25  19.395   4.995   6.781
  177    HE1  TRP  25           HE1      TRP  25  18.414   7.025   5.578
  178    HE3  TRP  25           HE3      TRP  25  14.908   5.271   9.181
  179    HZ2  TRP  25           HZ2      TRP  25  16.115   8.758   5.845
  180    HZ3  TRP  25           HZ3      TRP  25  13.368   7.192   8.759
  181    HH2  TRP  25           HH2      TRP  25  13.973   8.933   7.090
  182    H    ALA  26           H        ALA  26  19.627   5.635   9.236
  183    HA   ALA  26           HA       ALA  26  18.307   8.010  10.127
  184   1HB   ALA  26          HB1       ALA  26  19.694   7.577  12.164
  185   2HB   ALA  26          HB2       ALA  26  21.151   7.499  11.145
  186   3HB   ALA  26          HB3       ALA  26  20.223   9.016  11.291
  187    HA   PRO  27           HA       PRO  27  20.129   8.811   6.138
  188   1HB   PRO  27          HB2       PRO  27  20.470  11.688   6.907
  189   2HB   PRO  27          HB3       PRO  27  19.693  10.964   5.457
  190   1HG   PRO  27          HG2       PRO  27  18.201  11.969   7.535
  191   2HG   PRO  27          HG3       PRO  27  17.711  10.480   6.670
  192   1HD   PRO  27          HD2       PRO  27  19.112  10.722   9.337
  193   2HD   PRO  27          HD3       PRO  27  17.786   9.626   8.835
  194    H    TRP  28           H        TRP  28  21.925   9.695   9.023
  195    HA   TRP  28           HA       TRP  28  24.370  10.307   7.669
  196   1HB   TRP  28          HB2       TRP  28  24.398   9.279  10.467
  197   2HB   TRP  28          HB3       TRP  28  25.272  10.626   9.753
  198    HD1  TRP  28           HD1      TRP  28  22.409   9.764  11.830
  199    HE1  TRP  28           HE1      TRP  28  20.790  11.700  12.256
  200    HE3  TRP  28           HE3      TRP  28  24.271  13.071   8.419
  201    HZ2  TRP  28           HZ2      TRP  28  20.379  14.398  11.237
  202    HZ3  TRP  28           HZ3      TRP  28  23.236  15.310   8.142
  203    HH2  TRP  28           HH2      TRP  28  21.295  15.983   9.543
  204    H    CYS  29           H        CYS  29  22.700   7.377   8.183
  205    HA   CYS  29           HA       CYS  29  24.738   5.537   8.805
  206   1HB   CYS  29          HB2       CYS  29  22.229   5.252   8.990
  207   2HB   CYS  29          HB3       CYS  29  22.167   5.142   7.255
  208    H    GLY  30           H        GLY  30  25.834   4.026   7.474
  209   1HA   GLY  30          HA2       GLY  30  26.181   4.718   4.597
  210   2HA   GLY  30          HA3       GLY  30  27.278   3.749   5.589
  211    HA   PRO  31           HA       PRO  31  25.471   0.040   4.299
  212   1HB   PRO  31          HB2       PRO  31  24.548  -1.418   6.512
  213   2HB   PRO  31          HB3       PRO  31  26.239  -1.289   5.948
  214   1HG   PRO  31          HG2       PRO  31  24.869   0.295   8.126
  215   2HG   PRO  31          HG3       PRO  31  26.509  -0.421   8.128
  216   1HD   PRO  31          HD2       PRO  31  26.120   2.200   7.648
  217   2HD   PRO  31          HD3       PRO  31  27.347   1.292   6.720
  218    H    CYS  32           H        CYS  32  23.187   1.828   6.349
  219    HA   CYS  32           HA       CYS  32  20.782   0.573   5.608
  220   1HB   CYS  32          HB2       CYS  32  21.177   3.561   5.924
  221   2HB   CYS  32          HB3       CYS  32  19.704   2.645   6.148
  222    H    LYS  33           H        LYS  33  22.851   2.832   3.754
  223    HA   LYS  33           HA       LYS  33  20.884   3.460   1.764
  224   1HB   LYS  33          HB2       LYS  33  23.915   3.540   1.495
  225   2HB   LYS  33          HB3       LYS  33  22.748   4.438   0.534
  226   1HG   LYS  33          HG2       LYS  33  23.248   4.845   3.522
  227   2HG   LYS  33          HG3       LYS  33  23.941   5.809   2.226
  228   1HD   LYS  33          HD2       LYS  33  21.784   6.702   1.604
  229   2HD   LYS  33          HD3       LYS  33  20.932   5.566   2.651
  230   1HE   LYS  33          HE2       LYS  33  21.060   7.875   3.616
  231   2HE   LYS  33          HE3       LYS  33  21.731   6.611   4.653
  232   1HZ   LYS  33          HZ1       LYS  33  23.431   8.309   2.923
  233   2HZ   LYS  33          HZ2       LYS  33  23.075   8.654   4.487
  234   3HZ   LYS  33          HZ3       LYS  33  23.898   7.295   4.156
  235    H    MET  34           H        MET  34  22.989   0.675   2.276
  236    HA   MET  34           HA       MET  34  22.939  -0.239  -0.451
  237   1HB   MET  34          HB2       MET  34  23.367  -1.872   2.074
  238   2HB   MET  34          HB3       MET  34  23.802  -2.331   0.427
  239   1HG   MET  34          HG2       MET  34  25.398  -0.385   0.372
  240   2HG   MET  34          HG3       MET  34  25.035  -0.090   2.070
  241   1HE   MET  34          HE1       MET  34  26.373  -3.530   3.675
  242   2HE   MET  34          HE2       MET  34  25.167  -2.235   3.850
  243   3HE   MET  34          HE3       MET  34  24.858  -3.597   2.757
  244    H    ILE  35           H        ILE  35  20.998  -0.901   2.499
  245    HA   ILE  35           HA       ILE  35  19.438  -2.881   1.084
  246    HB   ILE  35           HB       ILE  35  20.114  -3.180   3.417
  247   1HG1  ILE  35          HG12      ILE  35  17.100  -3.226   3.033
  248   2HG1  ILE  35          HG13      ILE  35  18.235  -4.432   2.413
  249   1HG2  ILE  35          HG21      ILE  35  18.083  -1.018   4.086
  250   2HG2  ILE  35          HG22      ILE  35  18.979  -2.019   5.253
  251   3HG2  ILE  35          HG23      ILE  35  19.857  -0.896   4.236
  252   1HD1  ILE  35          HD11      ILE  35  17.622  -3.814   5.333
  253   2HD1  ILE  35          HD12      ILE  35  17.242  -5.282   4.432
  254   3HD1  ILE  35          HD13      ILE  35  18.927  -4.898   4.798
  255    H    ALA  36           H        ALA  36  19.051   0.581   1.694
  256    HA   ALA  36           HA       ALA  36  16.329   0.882   1.496
  257   1HB   ALA  36          HB1       ALA  36  16.776   3.099   0.500
  258   2HB   ALA  36          HB2       ALA  36  17.824   2.739   1.885
  259   3HB   ALA  36          HB3       ALA  36  18.470   2.637   0.236
  260    HA   PRO  37           HA       PRO  37  16.113   0.602  -3.249
  261   1HB   PRO  37          HB2       PRO  37  18.095  -0.668  -4.695
  262   2HB   PRO  37          HB3       PRO  37  18.024   1.098  -4.410
  263   1HG   PRO  37          HG2       PRO  37  19.599  -0.977  -2.863
  264   2HG   PRO  37          HG3       PRO  37  20.171   0.599  -3.499
  265   1HD   PRO  37          HD2       PRO  37  19.430   0.338  -0.923
  266   2HD   PRO  37          HD3       PRO  37  18.988   1.802  -1.839
  267    H    VAL  38           H        VAL  38  17.640  -1.984  -1.356
  268    HA   VAL  38           HA       VAL  38  16.366  -4.131  -2.776
  269    HB   VAL  38           HB       VAL  38  17.470  -4.118   0.064
  270   1HG1  VAL  38          HG11      VAL  38  16.973  -6.389  -1.900
  271   2HG1  VAL  38          HG12      VAL  38  17.763  -6.527  -0.298
  272   3HG1  VAL  38          HG13      VAL  38  16.064  -6.067  -0.397
  273   1HG2  VAL  38          HG21      VAL  38  18.849  -4.798  -2.574
  274   2HG2  VAL  38          HG22      VAL  38  19.247  -3.431  -1.513
  275   3HG2  VAL  38          HG23      VAL  38  19.519  -5.078  -0.953
  276    H    LEU  39           H        LEU  39  15.498  -2.135   0.129
  277    HA   LEU  39           HA       LEU  39  12.999  -3.427   0.581
  278   1HB   LEU  39          HB2       LEU  39  14.007  -0.627   1.197
  279   2HB   LEU  39          HB3       LEU  39  12.405  -1.171   1.673
  280    HG   LEU  39           HG       LEU  39  14.910  -2.696   2.442
  281   1HD1  LEU  39          HD11      LEU  39  13.512  -0.510   4.040
  282   2HD1  LEU  39          HD12      LEU  39  14.818  -1.563   4.635
  283   3HD1  LEU  39          HD13      LEU  39  15.135  -0.426   3.318
  284   1HD2  LEU  39          HD21      LEU  39  13.488  -3.631   4.224
  285   2HD2  LEU  39          HD22      LEU  39  12.123  -2.630   3.695
  286   3HD2  LEU  39          HD23      LEU  39  12.737  -3.921   2.649
  287    H    GLU  40           H        GLU  40  13.911  -0.707  -1.590
  288    HA   GLU  40           HA       GLU  40  11.251  -0.289  -2.532
  289   1HB   GLU  40          HB2       GLU  40  13.917   0.179  -3.912
  290   2HB   GLU  40          HB3       GLU  40  12.358   0.610  -4.615
  291   1HG   GLU  40          HG2       GLU  40  11.854   2.056  -2.676
  292   2HG   GLU  40          HG3       GLU  40  13.417   1.668  -1.961
  293    H    GLU  41           H        GLU  41  13.728  -2.670  -3.602
  294    HA   GLU  41           HA       GLU  41  12.057  -3.724  -5.682
  295   1HB   GLU  41          HB2       GLU  41  14.397  -4.911  -4.162
  296   2HB   GLU  41          HB3       GLU  41  13.502  -5.786  -5.412
  297   1HG   GLU  41          HG2       GLU  41  13.976  -3.994  -7.050
  298   2HG   GLU  41          HG3       GLU  41  14.908  -3.115  -5.844
  299    H    LEU  42           H        LEU  42  12.307  -4.392  -2.212
  300    HA   LEU  42           HA       LEU  42  10.616  -6.664  -2.170
  301   1HB   LEU  42          HB2       LEU  42  12.150  -5.450  -0.309
  302   2HB   LEU  42          HB3       LEU  42  10.638  -4.676   0.116
  303    HG   LEU  42           HG       LEU  42  11.449  -7.586   0.285
  304   1HD1  LEU  42          HD11      LEU  42  11.913  -6.105   2.186
  305   2HD1  LEU  42          HD12      LEU  42  10.210  -5.616   2.258
  306   3HD1  LEU  42          HD13      LEU  42  10.667  -7.290   2.623
  307   1HD2  LEU  42          HD21      LEU  42   9.272  -7.817  -0.683
  308   2HD2  LEU  42          HD22      LEU  42   9.117  -8.125   1.048
  309   3HD2  LEU  42          HD23      LEU  42   8.592  -6.567   0.385
  310    H    ASP  43           H        ASP  43   9.898  -3.161  -1.772
  311    HA   ASP  43           HA       ASP  43   7.101  -3.187  -1.540
  312   1HB   ASP  43          HB2       ASP  43   8.560  -1.170  -1.367
  313   2HB   ASP  43          HB3       ASP  43   8.845  -1.244  -3.114
  314    H    GLN  44           H        GLN  44   9.127  -3.181  -4.476
  315    HA   GLN  44           HA       GLN  44   6.906  -3.223  -6.269
  316   1HB   GLN  44          HB2       GLN  44   9.857  -3.800  -6.643
  317   2HB   GLN  44          HB3       GLN  44   8.702  -3.775  -7.982
  318   1HG   GLN  44          HG2       GLN  44   8.117  -1.471  -7.587
  319   2HG   GLN  44          HG3       GLN  44   8.994  -1.415  -6.059
  320   1HE2  GLN  44          HE22      GLN  44  11.300  -1.432  -6.081
  321   2HE2  GLN  44          HE21      GLN  44  12.221  -0.966  -7.513
  322    H    GLU  45           H        GLU  45   8.045  -5.762  -4.307
  323    HA   GLU  45           HA       GLU  45   7.058  -7.857  -6.149
  324   1HB   GLU  45          HB2       GLU  45   9.025  -7.816  -3.858
  325   2HB   GLU  45          HB3       GLU  45   8.340  -9.333  -4.491
  326   1HG   GLU  45          HG2       GLU  45   9.131  -8.817  -6.743
  327   2HG   GLU  45          HG3       GLU  45   9.699  -7.235  -6.224
  328    H    MET  46           H        MET  46   6.584  -6.694  -2.735
  329    HA   MET  46           HA       MET  46   3.893  -7.920  -2.899
  330   1HB   MET  46          HB2       MET  46   4.171  -8.856  -0.681
  331   2HB   MET  46          HB3       MET  46   5.369  -9.488  -1.847
  332   1HG   MET  46          HG2       MET  46   7.131  -8.364  -0.873
  333   2HG   MET  46          HG3       MET  46   6.102  -7.235   0.009
  334   1HE   MET  46          HE1       MET  46   6.274 -11.703   1.280
  335   2HE   MET  46          HE2       MET  46   5.023 -11.070   0.184
  336   3HE   MET  46          HE3       MET  46   6.725 -11.133  -0.347
  337    H    GLY  47           H        GLY  47   4.925  -4.972  -2.886
  338   1HA   GLY  47          HA2       GLY  47   4.162  -3.778  -0.466
  339   2HA   GLY  47          HA3       GLY  47   4.129  -3.024  -2.071
  340    H    ASP  48           H        ASP  48   2.070  -5.520  -2.449
  341    HA   ASP  48           HA       ASP  48  -0.373  -4.012  -1.923
  342   1HB   ASP  48          HB2       ASP  48  -0.204  -5.349  -3.965
  343   2HB   ASP  48          HB3       ASP  48   0.120  -6.803  -3.016
  344    H    LYS  49           H        LYS  49   1.522  -6.658  -0.529
  345    HA   LYS  49           HA       LYS  49  -0.548  -7.268   1.521
  346   1HB   LYS  49          HB2       LYS  49   2.132  -8.621   0.892
  347   2HB   LYS  49          HB3       LYS  49   0.968  -9.160   2.085
  348   1HG   LYS  49          HG2       LYS  49   0.592  -9.116  -0.937
  349   2HG   LYS  49          HG3       LYS  49   0.843 -10.528   0.076
  350   1HD   LYS  49          HD2       LYS  49  -1.618  -8.728   0.094
  351   2HD   LYS  49          HD3       LYS  49  -1.489 -10.335  -0.621
  352   1HE   LYS  49          HE2       LYS  49  -1.012 -11.301   1.629
  353   2HE   LYS  49          HE3       LYS  49  -1.197  -9.696   2.350
  354   1HZ   LYS  49          HZ1       LYS  49  -3.329 -11.177   0.917
  355   2HZ   LYS  49          HZ2       LYS  49  -3.229 -10.984   2.530
  356   3HZ   LYS  49          HZ3       LYS  49  -3.503  -9.691   1.578
  357    H    LEU  50           H        LEU  50   2.710  -5.975   1.058
  358    HA   LEU  50           HA       LEU  50   3.110  -5.728   3.968
  359   1HB   LEU  50          HB2       LEU  50   4.755  -6.894   2.537
  360   2HB   LEU  50          HB3       LEU  50   4.936  -5.445   1.547
  361    HG   LEU  50           HG       LEU  50   5.928  -4.234   3.457
  362   1HD1  LEU  50          HD11      LEU  50   5.742  -6.901   4.929
  363   2HD1  LEU  50          HD12      LEU  50   6.591  -5.447   5.487
  364   3HD1  LEU  50          HD13      LEU  50   4.844  -5.440   5.349
  365   1HD2  LEU  50          HD21      LEU  50   7.236  -6.864   2.730
  366   2HD2  LEU  50          HD22      LEU  50   7.384  -5.303   1.900
  367   3HD2  LEU  50          HD23      LEU  50   8.055  -5.499   3.527
  368    H    LYS  51           H        LYS  51   3.894  -3.815   4.934
  369    HA   LYS  51           HA       LYS  51   3.871  -1.272   3.391
  370   1HB   LYS  51          HB2       LYS  51   1.914  -1.299   4.954
  371   2HB   LYS  51          HB3       LYS  51   3.016  -1.669   6.281
  372   1HG   LYS  51          HG2       LYS  51   4.234   0.552   5.642
  373   2HG   LYS  51          HG3       LYS  51   2.804   0.911   4.680
  374   1HD   LYS  51          HD2       LYS  51   2.824   0.259   7.660
  375   2HD   LYS  51          HD3       LYS  51   2.886   1.894   7.038
  376   1HE   LYS  51          HE2       LYS  51   0.629   0.052   6.203
  377   2HE   LYS  51          HE3       LYS  51   0.628   0.797   7.806
  378   1HZ   LYS  51          HZ1       LYS  51   0.600   2.280   5.265
  379   2HZ   LYS  51          HZ2       LYS  51  -0.590   2.144   6.412
  380   3HZ   LYS  51          HZ3       LYS  51   0.776   2.957   6.775
  381    H    ILE  52           H        ILE  52   5.778  -0.013   3.955
  382    HA   ILE  52           HA       ILE  52   7.761  -1.411   5.680
  383    HB   ILE  52           HB       ILE  52   8.241  -0.014   3.026
  384   1HG1  ILE  52          HG12      ILE  52   8.623  -2.938   3.802
  385   2HG1  ILE  52          HG13      ILE  52   7.327  -2.309   2.786
  386   1HG2  ILE  52          HG21      ILE  52  10.626  -0.543   3.333
  387   2HG2  ILE  52          HG22      ILE  52  10.061   0.465   4.652
  388   3HG2  ILE  52          HG23      ILE  52  10.277  -1.280   4.913
  389   1HD1  ILE  52          HD11      ILE  52   8.927  -3.290   1.330
  390   2HD1  ILE  52          HD12      ILE  52   9.036  -1.538   1.115
  391   3HD1  ILE  52          HD13      ILE  52  10.268  -2.406   2.063
  392    H    VAL  53           H        VAL  53   8.667   0.017   7.216
  393    HA   VAL  53           HA       VAL  53   7.742   2.878   7.037
  394    HB   VAL  53           HB       VAL  53   7.497   0.996   9.414
  395   1HG1  VAL  53          HG11      VAL  53   6.884   3.990   9.193
  396   2HG1  VAL  53          HG12      VAL  53   6.442   2.947  10.564
  397   3HG1  VAL  53          HG13      VAL  53   8.144   3.258  10.209
  398   1HG2  VAL  53          HG21      VAL  53   5.692   0.764   7.722
  399   2HG2  VAL  53          HG22      VAL  53   5.103   1.462   9.237
  400   3HG2  VAL  53          HG23      VAL  53   5.372   2.499   7.828
  401    H    LYS  54           H        LYS  54   9.637   3.886   6.571
  402    HA   LYS  54           HA       LYS  54  12.136   3.136   7.934
  403   1HB   LYS  54          HB2       LYS  54  11.452   5.634   6.327
  404   2HB   LYS  54          HB3       LYS  54  13.068   5.119   6.838
  405   1HG   LYS  54          HG2       LYS  54  12.784   3.019   5.486
  406   2HG   LYS  54          HG3       LYS  54  11.271   3.670   4.847
  407   1HD   LYS  54          HD2       LYS  54  14.027   4.939   4.544
  408   2HD   LYS  54          HD3       LYS  54  13.174   4.000   3.310
  409   1HE   LYS  54          HE2       LYS  54  11.322   5.678   3.325
  410   2HE   LYS  54          HE3       LYS  54  12.213   6.637   4.514
  411   1HZ   LYS  54          HZ1       LYS  54  13.980   6.917   2.874
  412   2HZ   LYS  54          HZ2       LYS  54  13.162   6.029   1.771
  413   3HZ   LYS  54          HZ3       LYS  54  12.568   7.459   2.272
  414    H    ILE  55           H        ILE  55  12.909   4.105   9.831
  415    HA   ILE  55           HA       ILE  55  11.505   6.485  10.848
  416    HB   ILE  55           HB       ILE  55  10.228   4.698  11.769
  417   1HG1  ILE  55          HG12      ILE  55  11.996   5.799  13.980
  418   2HG1  ILE  55          HG13      ILE  55  10.825   6.776  13.085
  419   1HG2  ILE  55          HG21      ILE  55  11.071   2.966  13.255
  420   2HG2  ILE  55          HG22      ILE  55  11.879   2.833  11.697
  421   3HG2  ILE  55          HG23      ILE  55  12.727   3.561  13.079
  422   1HD1  ILE  55          HD11      ILE  55   8.982   5.350  13.827
  423   2HD1  ILE  55          HD12      ILE  55  10.117   4.323  14.739
  424   3HD1  ILE  55          HD13      ILE  55   9.869   6.009  15.206
  425    H    ASP  56           H        ASP  56  12.867   7.937  11.532
  426    HA   ASP  56           HA       ASP  56  15.723   7.410  11.303
  427   1HB   ASP  56          HB2       ASP  56  14.802   9.363  10.233
  428   2HB   ASP  56          HB3       ASP  56  14.157   9.956  11.770
  429    H    VAL  57           H        VAL  57  16.699   6.543  13.086
  430    HA   VAL  57           HA       VAL  57  15.550   6.591  15.672
  431    HB   VAL  57           HB       VAL  57  17.603   5.567  16.456
  432   1HG1  VAL  57          HG11      VAL  57  15.888   4.256  15.223
  433   2HG1  VAL  57          HG12      VAL  57  16.831   4.438  13.734
  434   3HG1  VAL  57          HG13      VAL  57  17.515   3.558  15.117
  435   1HG2  VAL  57          HG21      VAL  57  19.318   6.829  15.198
  436   2HG2  VAL  57          HG22      VAL  57  19.505   5.084  14.988
  437   3HG2  VAL  57          HG23      VAL  57  18.789   6.056  13.692
  438    H    ASP  58           H        ASP  58  17.548   9.032  14.106
  439    HA   ASP  58           HA       ASP  58  18.703  10.132  16.502
  440   1HB   ASP  58          HB2       ASP  58  19.549  10.590  14.216
  441   2HB   ASP  58          HB3       ASP  58  18.067  11.489  13.859
  442    H    GLU  59           H        GLU  59  15.493  10.245  15.188
  443    HA   GLU  59           HA       GLU  59  14.694  12.393  17.118
  444   1HB   GLU  59          HB2       GLU  59  13.426  11.524  14.489
  445   2HB   GLU  59          HB3       GLU  59  12.767  12.740  15.593
  446   1HG   GLU  59          HG2       GLU  59  14.910  14.059  15.307
  447   2HG   GLU  59          HG3       GLU  59  15.363  12.940  14.018
  448    H    ASN  60           H        ASN  60  14.884   9.148  16.983
  449    HA   ASN  60           HA       ASN  60  12.260   8.634  18.296
  450   1HB   ASN  60          HB2       ASN  60  13.324   7.188  15.836
  451   2HB   ASN  60          HB3       ASN  60  12.032   6.579  16.843
  452   1HD2  ASN  60          HD22      ASN  60  12.828   8.832  14.345
  453   2HD2  ASN  60          HD21      ASN  60  11.211   9.482  14.131
  454    H    GLN  61           H        GLN  61  14.784   8.944  19.494
  455    HA   GLN  61           HA       GLN  61  16.168   6.537  20.009
  456   1HB   GLN  61          HB2       GLN  61  15.660   8.983  21.752
  457   2HB   GLN  61          HB3       GLN  61  16.747   7.674  22.213
  458   1HG   GLN  61          HG2       GLN  61  17.060   9.314  19.662
  459   2HG   GLN  61          HG3       GLN  61  17.890   9.659  21.177
  460   1HE2  GLN  61          HE22      GLN  61  17.897   7.705  18.310
  461   2HE2  GLN  61          HE21      GLN  61  19.311   6.732  18.707
  462    H    GLU  62           H        GLU  62  13.110   7.806  21.383
  463    HA   GLU  62           HA       GLU  62  12.862   5.872  23.452
  464   1HB   GLU  62          HB2       GLU  62  10.750   7.453  21.917
  465   2HB   GLU  62          HB3       GLU  62  10.425   6.472  23.355
  466   1HG   GLU  62          HG2       GLU  62  12.047   7.852  24.655
  467   2HG   GLU  62          HG3       GLU  62  12.305   8.873  23.240
  468    H    THR  63           H        THR  63  11.607   5.868  20.022
  469    HA   THR  63           HA       THR  63  10.313   3.384  20.253
  470    HB   THR  63           HB       THR  63  11.457   4.282  17.662
  471    HG1  THR  63           HG1      THR  63   9.896   5.976  17.557
  472   1HG2  THR  63          HG21      THR  63   9.763   2.444  17.789
  473   2HG2  THR  63          HG22      THR  63   8.596   3.600  18.467
  474   3HG2  THR  63          HG23      THR  63   9.209   3.804  16.811
  475    H    ALA  64           H        ALA  64  13.611   4.272  19.165
  476    HA   ALA  64           HA       ALA  64  14.533   1.671  18.510
  477   1HB   ALA  64          HB1       ALA  64  16.806   2.686  18.986
  478   2HB   ALA  64          HB2       ALA  64  15.792   3.713  17.953
  479   3HB   ALA  64          HB3       ALA  64  16.002   4.097  19.673
  480    H    GLY  65           H        GLY  65  14.651   3.439  21.653
  481   1HA   GLY  65          HA2       GLY  65  15.785   1.392  23.223
  482   2HA   GLY  65          HA3       GLY  65  14.729   2.696  23.797
  483    H    LYS  66           H        LYS  66  12.445   1.843  22.113
  484    HA   LYS  66           HA       LYS  66  11.002   0.203  23.843
  485   1HB   LYS  66          HB2       LYS  66  10.379   1.751  21.763
  486   2HB   LYS  66          HB3       LYS  66  10.309   0.189  20.948
  487   1HG   LYS  66          HG2       LYS  66   8.764  -0.644  22.728
  488   2HG   LYS  66          HG3       LYS  66   8.870   0.914  23.561
  489   1HD   LYS  66          HD2       LYS  66   7.779   0.472  20.776
  490   2HD   LYS  66          HD3       LYS  66   6.814   0.630  22.257
  491   1HE   LYS  66          HE2       LYS  66   7.714   2.938  22.587
  492   2HE   LYS  66          HE3       LYS  66   8.628   2.785  21.084
  493   1HZ   LYS  66          HZ1       LYS  66   6.474   2.514  19.928
  494   2HZ   LYS  66          HZ2       LYS  66   5.684   2.818  21.329
  495   3HZ   LYS  66          HZ3       LYS  66   6.626   3.976  20.648
  496    H    TYR  67           H        TYR  67  13.120  -0.746  21.152
  497    HA   TYR  67           HA       TYR  67  12.662  -3.613  21.895
  498   1HB   TYR  67          HB2       TYR  67  13.684  -2.814  19.198
  499   2HB   TYR  67          HB3       TYR  67  12.827  -4.267  19.676
  500    HD1  TYR  67           HD1      TYR  67  10.291  -4.134  20.044
  501    HD2  TYR  67           HD2      TYR  67  12.593  -0.828  18.497
  502    HE1  TYR  67           HE1      TYR  67   8.197  -2.994  19.365
  503    HE2  TYR  67           HE2      TYR  67  10.545   0.337  17.880
  504    HH   TYR  67           HH       TYR  67   7.261  -1.050  18.489
  505    H    GLY  68           H        GLY  68  14.795  -1.336  22.628
  506   1HA   GLY  68          HA2       GLY  68  16.994  -1.297  23.201
  507   2HA   GLY  68          HA3       GLY  68  17.011  -3.062  23.062
  508    H    VAL  69           H        VAL  69  16.224  -0.882  20.337
  509    HA   VAL  69           HA       VAL  69  18.303  -1.954  18.625
  510    HB   VAL  69           HB       VAL  69  16.632   0.580  18.363
  511   1HG1  VAL  69          HG11      VAL  69  18.553   0.681  16.875
  512   2HG1  VAL  69          HG12      VAL  69  18.236  -0.964  16.296
  513   3HG1  VAL  69          HG13      VAL  69  17.104   0.355  15.926
  514   1HG2  VAL  69          HG21      VAL  69  16.077  -2.223  17.331
  515   2HG2  VAL  69          HG22      VAL  69  15.110  -1.277  18.483
  516   3HG2  VAL  69          HG23      VAL  69  15.207  -0.761  16.806
  517    H    MET  70           H        MET  70  20.388  -1.359  18.586
  518    HA   MET  70           HA       MET  70  21.258   1.228  19.770
  519   1HB   MET  70          HB2       MET  70  21.368  -0.786  21.350
  520   2HB   MET  70          HB3       MET  70  22.608  -1.453  20.282
  521   1HG   MET  70          HG2       MET  70  24.047   0.499  20.739
  522   2HG   MET  70          HG3       MET  70  22.754   1.250  21.684
  523   1HE   MET  70          HE1       MET  70  24.459   1.689  23.649
  524   2HE   MET  70          HE2       MET  70  25.482   0.429  24.373
  525   3HE   MET  70          HE3       MET  70  25.753   0.933  22.691
  526    H    SER  71           H        SER  71  21.120  -0.546  17.007
  527    HA   SER  71           HA       SER  71  23.458   0.678  15.802
  528   1HB   SER  71          HB2       SER  71  22.874  -2.315  15.578
  529   2HB   SER  71          HB3       SER  71  24.164  -1.436  14.744
  530    HG   SER  71           HG       SER  71  24.912  -2.556  16.599
  531    H    ILE  72           H        ILE  72  23.194   0.467  13.342
  532    HA   ILE  72           HA       ILE  72  20.510  -0.205  12.431
  533    HB   ILE  72           HB       ILE  72  20.303   1.930  11.181
  534   1HG1  ILE  72          HG12      ILE  72  22.448   3.039  13.041
  535   2HG1  ILE  72          HG13      ILE  72  22.709   2.647  11.339
  536   1HG2  ILE  72          HG21      ILE  72  20.319   2.406  14.186
  537   2HG2  ILE  72          HG22      ILE  72  19.262   3.150  12.971
  538   3HG2  ILE  72          HG23      ILE  72  19.095   1.436  13.345
  539   1HD1  ILE  72          HD11      ILE  72  20.762   4.743  12.390
  540   2HD1  ILE  72          HD12      ILE  72  22.301   5.022  11.558
  541   3HD1  ILE  72          HD13      ILE  72  20.955   4.263  10.688
  542    HA   PRO  73           HA       PRO  73  19.561   0.258  10.032
  543   1HB   PRO  73          HB2       PRO  73  19.034  -1.682   8.182
  544   2HB   PRO  73          HB3       PRO  73  19.718  -0.090   7.761
  545   1HG   PRO  73          HG2       PRO  73  21.181  -2.710   8.153
  546   2HG   PRO  73          HG3       PRO  73  21.392  -1.512   6.839
  547   1HD   PRO  73          HD2       PRO  73  23.049  -1.609   9.018
  548   2HD   PRO  73          HD3       PRO  73  22.616  -0.064   8.232
  549    H    THR  74           H        THR  74  17.956  -0.698  11.216
  550    HA   THR  74           HA       THR  74  18.254  -3.569  11.960
  551    HB   THR  74           HB       THR  74  17.704  -1.250  13.848
  552    HG1  THR  74           HG1      THR  74  19.699  -1.591  14.323
  553   1HG2  THR  74          HG21      THR  74  17.336  -4.253  14.246
  554   2HG2  THR  74          HG22      THR  74  17.560  -3.119  15.593
  555   3HG2  THR  74          HG23      THR  74  16.162  -2.955  14.525
  556    H    LEU  75           H        LEU  75  16.315  -4.680  12.025
  557    HA   LEU  75           HA       LEU  75  14.099  -3.268  10.634
  558   1HB   LEU  75          HB2       LEU  75  15.133  -6.090  10.222
  559   2HB   LEU  75          HB3       LEU  75  13.793  -5.340   9.364
  560    HG   LEU  75           HG       LEU  75  16.725  -4.483   9.205
  561   1HD1  LEU  75          HD11      LEU  75  16.241  -6.658   8.142
  562   2HD1  LEU  75          HD12      LEU  75  14.946  -5.893   7.194
  563   3HD1  LEU  75          HD13      LEU  75  16.644  -5.417   6.949
  564   1HD2  LEU  75          HD21      LEU  75  15.358  -2.527   8.820
  565   2HD2  LEU  75          HD22      LEU  75  15.978  -3.085   7.269
  566   3HD2  LEU  75          HD23      LEU  75  14.289  -3.413   7.717
  567    H    LEU  76           H        LEU  76  12.121  -3.560  11.539
  568    HA   LEU  76           HA       LEU  76  11.802  -5.642  13.694
  569   1HB   LEU  76          HB2       LEU  76  10.970  -2.714  13.644
  570   2HB   LEU  76          HB3       LEU  76  10.120  -3.892  14.612
  571    HG   LEU  76           HG       LEU  76  11.718  -2.482  15.882
  572   1HD1  LEU  76          HD11      LEU  76  12.738  -4.401  17.154
  573   2HD1  LEU  76          HD12      LEU  76  11.001  -4.517  16.861
  574   3HD1  LEU  76          HD13      LEU  76  12.132  -5.500  15.899
  575   1HD2  LEU  76          HD21      LEU  76  13.963  -4.111  14.668
  576   2HD2  LEU  76          HD22      LEU  76  13.556  -2.465  14.135
  577   3HD2  LEU  76          HD23      LEU  76  14.056  -2.762  15.808
  578    H    VAL  77           H        VAL  77  10.239  -7.022  13.052
  579    HA   VAL  77           HA       VAL  77   8.382  -6.142  10.889
  580    HB   VAL  77           HB       VAL  77   8.697  -8.948  11.954
  581   1HG1  VAL  77          HG11      VAL  77   6.594  -8.439  10.804
  582   2HG1  VAL  77          HG12      VAL  77   7.489  -7.849   9.389
  583   3HG1  VAL  77          HG13      VAL  77   7.573  -9.566   9.853
  584   1HG2  VAL  77          HG21      VAL  77  10.087  -7.723   9.528
  585   2HG2  VAL  77          HG22      VAL  77  10.879  -8.401  10.968
  586   3HG2  VAL  77          HG23      VAL  77   9.990  -9.463   9.872
  587    H    LEU  78           H        LEU  78   6.501  -5.465  11.642
  588    HA   LEU  78           HA       LEU  78   5.544  -6.435  14.280
  589   1HB   LEU  78          HB2       LEU  78   5.051  -3.719  12.974
  590   2HB   LEU  78          HB3       LEU  78   4.130  -4.368  14.323
  591    HG   LEU  78           HG       LEU  78   6.514  -4.612  15.473
  592   1HD1  LEU  78          HD11      LEU  78   8.012  -2.733  14.948
  593   2HD1  LEU  78          HD12      LEU  78   7.911  -3.907  13.637
  594   3HD1  LEU  78          HD13      LEU  78   7.040  -2.369  13.504
  595   1HD2  LEU  78          HD21      LEU  78   4.648  -3.260  16.331
  596   2HD2  LEU  78          HD22      LEU  78   6.224  -2.503  16.581
  597   3HD2  LEU  78          HD23      LEU  78   5.159  -1.916  15.293
  598    H    LYS  79           H        LYS  79   3.297  -6.927  14.335
  599    HA   LYS  79           HA       LYS  79   1.897  -6.892  11.730
  600   1HB   LYS  79          HB2       LYS  79   2.764  -9.208  12.031
  601   2HB   LYS  79          HB3       LYS  79   1.904  -9.302  13.584
  602   1HG   LYS  79          HG2       LYS  79  -0.250  -8.943  12.429
  603   2HG   LYS  79          HG3       LYS  79   0.601  -8.809  10.876
  604   1HD   LYS  79          HD2       LYS  79   1.396 -11.148  11.135
  605   2HD   LYS  79          HD3       LYS  79   0.520 -11.273  12.676
  606   1HE   LYS  79          HE2       LYS  79  -1.621 -10.821  11.511
  607   2HE   LYS  79          HE3       LYS  79  -0.760 -10.627   9.978
  608   1HZ   LYS  79          HZ1       LYS  79  -1.699 -12.825  10.146
  609   2HZ   LYS  79          HZ2       LYS  79  -0.064 -12.938  10.142
  610   3HZ   LYS  79          HZ3       LYS  79  -0.908 -13.138  11.540
  611    H    ASP  80           H        ASP  80   0.126  -5.765  12.016
  612    HA   ASP  80           HA       ASP  80  -1.660  -4.746  12.922
  613   1HB   ASP  80          HB2       ASP  80  -2.432  -7.063  12.655
  614   2HB   ASP  80          HB3       ASP  80  -1.993  -7.412  14.327
  615    H    GLY  81           H        GLY  81   0.740  -4.110  14.259
  616   1HA   GLY  81          HA2       GLY  81   0.978  -2.434  15.822
  617   2HA   GLY  81          HA3       GLY  81  -0.406  -3.026  16.736
  618    H    GLU  82           H        GLU  82   1.606  -5.764  16.264
  619    HA   GLU  82           HA       GLU  82   3.211  -5.128  18.706
  620   1HB   GLU  82          HB2       GLU  82   2.798  -7.210  19.609
  621   2HB   GLU  82          HB3       GLU  82   1.223  -6.712  18.991
  622   1HG   GLU  82          HG2       GLU  82   1.615  -8.184  16.977
  623   2HG   GLU  82          HG3       GLU  82   3.123  -8.735  17.695
  624    H    VAL  83           H        VAL  83   5.390  -5.957  18.713
  625    HA   VAL  83           HA       VAL  83   6.528  -6.539  16.080
  626    HB   VAL  83           HB       VAL  83   7.737  -5.214  17.758
  627   1HG1  VAL  83          HG11      VAL  83   7.142  -6.440  19.831
  628   2HG1  VAL  83          HG12      VAL  83   8.135  -7.812  19.290
  629   3HG1  VAL  83          HG13      VAL  83   8.888  -6.244  19.627
  630   1HG2  VAL  83          HG21      VAL  83   8.940  -6.214  15.926
  631   2HG2  VAL  83          HG22      VAL  83   9.920  -6.362  17.399
  632   3HG2  VAL  83          HG23      VAL  83   9.065  -7.770  16.779
  633    H    VAL  84           H        VAL  84   6.803  -8.340  15.146
  634    HA   VAL  84           HA       VAL  84   6.338 -10.858  16.658
  635    HB   VAL  84           HB       VAL  84   5.371 -11.787  14.663
  636   1HG1  VAL  84          HG11      VAL  84   3.928  -9.207  15.303
  637   2HG1  VAL  84          HG12      VAL  84   3.248 -10.735  14.706
  638   3HG1  VAL  84          HG13      VAL  84   3.933 -10.657  16.333
  639   1HG2  VAL  84          HG21      VAL  84   6.524 -10.419  12.912
  640   2HG2  VAL  84          HG22      VAL  84   4.769 -10.448  12.697
  641   3HG2  VAL  84          HG23      VAL  84   5.542  -9.014  13.388
  642    H    GLU  85           H        GLU  85   8.630  -9.059  14.581
  643    HA   GLU  85           HA       GLU  85  10.512 -11.212  15.178
  644   1HB   GLU  85          HB2       GLU  85   9.335 -11.965  13.060
  645   2HB   GLU  85          HB3       GLU  85   9.969 -10.554  12.248
  646   1HG   GLU  85          HG2       GLU  85  11.182 -12.551  11.704
  647   2HG   GLU  85          HG3       GLU  85  12.231 -11.351  12.448
  648    H    THR  86           H        THR  86  12.793 -10.598  14.511
  649    HA   THR  86           HA       THR  86  13.187  -7.710  13.985
  650    HB   THR  86           HB       THR  86  14.638  -9.218  16.188
  651    HG1  THR  86           HG1      THR  86  12.474  -8.968  16.778
  652   1HG2  THR  86          HG21      THR  86  14.472  -6.251  15.508
  653   2HG2  THR  86          HG22      THR  86  15.209  -6.904  16.986
  654   3HG2  THR  86          HG23      THR  86  15.908  -7.291  15.412
  655    H    SER  87           H        SER  87  15.237  -7.304  12.940
  656    HA   SER  87           HA       SER  87  17.240  -9.409  12.723
  657   1HB   SER  87          HB2       SER  87  15.730  -8.343  10.299
  658   2HB   SER  87          HB3       SER  87  17.324  -9.119  10.184
  659    HG   SER  87           HG       SER  87  15.395 -10.445  11.675
  660    H    VAL  88           H        VAL  88  19.294  -8.464  11.835
  661    HA   VAL  88           HA       VAL  88  19.419  -5.497  12.020
  662    HB   VAL  88           HB       VAL  88  21.259  -7.455  13.439
  663   1HG1  VAL  88          HG11      VAL  88  21.135  -4.409  13.506
  664   2HG1  VAL  88          HG12      VAL  88  22.157  -5.413  14.556
  665   3HG1  VAL  88          HG13      VAL  88  22.439  -5.401  12.816
  666   1HG2  VAL  88          HG21      VAL  88  20.332  -6.554  15.563
  667   2HG2  VAL  88          HG22      VAL  88  19.123  -5.644  14.638
  668   3HG2  VAL  88          HG23      VAL  88  19.110  -7.421  14.640
  669    H    GLY  89           H        GLY  89  20.959  -4.592  10.625
  670   1HA   GLY  89          HA2       GLY  89  22.683  -4.492   9.110
  671   2HA   GLY  89          HA3       GLY  89  23.014  -6.208   9.345
  672    H    PHE  90           H        PHE  90  23.311  -5.572   6.882
  673    HA   PHE  90           HA       PHE  90  21.034  -5.324   5.191
  674   1HB   PHE  90          HB2       PHE  90  23.365  -4.740   4.538
  675   2HB   PHE  90          HB3       PHE  90  23.831  -6.432   4.653
  676    HD1  PHE  90           HD1      PHE  90  23.065  -8.089   2.950
  677    HD2  PHE  90           HD2      PHE  90  22.143  -3.888   2.608
  678    HE1  PHE  90           HE1      PHE  90  22.401  -8.425   0.584
  679    HE2  PHE  90           HE2      PHE  90  21.503  -4.229   0.231
  680    HZ   PHE  90           HZ       PHE  90  21.620  -6.497  -0.779
  681    H    LYS  91           H        LYS  91  19.931  -6.750   3.921
  682    HA   LYS  91           HA       LYS  91  20.298  -9.620   4.166
  683   1HB   LYS  91          HB2       LYS  91  18.366  -8.200   5.821
  684   2HB   LYS  91          HB3       LYS  91  17.475  -8.982   4.537
  685   1HG   LYS  91          HG2       LYS  91  17.551 -10.367   6.494
  686   2HG   LYS  91          HG3       LYS  91  18.339 -11.144   5.117
  687   1HD   LYS  91          HD2       LYS  91  19.563 -11.629   7.149
  688   2HD   LYS  91          HD3       LYS  91  20.551 -10.647   6.076
  689   1HE   LYS  91          HE2       LYS  91  19.641  -8.611   7.462
  690   2HE   LYS  91          HE3       LYS  91  19.114  -9.829   8.635
  691   1HZ   LYS  91          HZ1       LYS  91  21.296  -8.990   9.171
  692   2HZ   LYS  91          HZ2       LYS  91  21.470 -10.559   8.721
  693   3HZ   LYS  91          HZ3       LYS  91  21.865  -9.347   7.670
  694    HA   PRO  92           HA       PRO  92  18.915  -8.753  -0.023
  695   1HB   PRO  92          HB2       PRO  92  18.446 -11.267  -0.998
  696   2HB   PRO  92          HB3       PRO  92  20.091 -10.644  -0.667
  697   1HG   PRO  92          HG2       PRO  92  18.374 -12.400   1.110
  698   2HG   PRO  92          HG3       PRO  92  20.098 -12.619   0.672
  699   1HD   PRO  92          HD2       PRO  92  19.327 -11.447   3.018
  700   2HD   PRO  92          HD3       PRO  92  20.786 -10.908   2.137
  701    H    LYS  93           H        LYS  93  16.969  -8.776  -1.306
  702    HA   LYS  93           HA       LYS  93  14.628  -8.327   0.159
  703   1HB   LYS  93          HB2       LYS  93  13.459  -8.275  -2.024
  704   2HB   LYS  93          HB3       LYS  93  14.921  -7.310  -2.003
  705   1HG   LYS  93          HG2       LYS  93  16.120  -9.289  -3.140
  706   2HG   LYS  93          HG3       LYS  93  14.514 -10.031  -3.309
  707   1HD   LYS  93          HD2       LYS  93  13.758  -7.969  -4.502
  708   2HD   LYS  93          HD3       LYS  93  15.433  -7.352  -4.423
  709   1HE   LYS  93          HE2       LYS  93  16.245  -9.165  -5.801
  710   2HE   LYS  93          HE3       LYS  93  14.744 -10.085  -5.593
  711   1HZ   LYS  93          HZ1       LYS  93  14.968  -7.549  -7.094
  712   2HZ   LYS  93          HZ2       LYS  93  14.818  -9.048  -7.753
  713   3HZ   LYS  93          HZ3       LYS  93  13.579  -8.437  -6.861
  714    H    GLU  94           H        GLU  94  15.639 -11.377  -1.375
  715    HA   GLU  94           HA       GLU  94  13.066 -12.598  -1.088
  716   1HB   GLU  94          HB2       GLU  94  15.856 -13.828  -1.282
  717   2HB   GLU  94          HB3       GLU  94  14.347 -14.752  -1.334
  718   1HG   GLU  94          HG2       GLU  94  13.630 -13.453  -3.338
  719   2HG   GLU  94          HG3       GLU  94  15.170 -12.592  -3.324
  720    H    ALA  95           H        ALA  95  15.960 -12.447   1.064
  721    HA   ALA  95           HA       ALA  95  14.840 -14.145   3.069
  722   1HB   ALA  95          HB1       ALA  95  17.259 -13.659   2.972
  723   2HB   ALA  95          HB2       ALA  95  16.933 -11.941   3.319
  724   3HB   ALA  95          HB3       ALA  95  16.580 -13.180   4.538
  725    H    LEU  96           H        LEU  96  14.793 -10.611   2.542
  726    HA   LEU  96           HA       LEU  96  13.389  -9.918   4.909
  727   1HB   LEU  96          HB2       LEU  96  13.253  -8.599   2.164
  728   2HB   LEU  96          HB3       LEU  96  12.657  -7.898   3.665
  729    HG   LEU  96           HG       LEU  96  15.576  -8.529   3.111
  730   1HD1  LEU  96          HD11      LEU  96  15.882  -6.160   2.823
  731   2HD1  LEU  96          HD12      LEU  96  14.600  -6.663   1.724
  732   3HD1  LEU  96          HD13      LEU  96  14.185  -5.830   3.236
  733   1HD2  LEU  96          HD21      LEU  96  14.199  -7.126   5.431
  734   2HD2  LEU  96          HD22      LEU  96  15.118  -8.646   5.504
  735   3HD2  LEU  96          HD23      LEU  96  15.954  -7.135   5.147
  736    H    GLN  97           H        GLN  97  12.126 -10.685   1.650
  737    HA   GLN  97           HA       GLN  97   9.437 -10.282   2.491
  738   1HB   GLN  97          HB2       GLN  97   8.855 -10.589   0.324
  739   2HB   GLN  97          HB3       GLN  97  10.547 -10.168   0.161
  740   1HG   GLN  97          HG2       GLN  97  11.016 -12.669  -0.054
  741   2HG   GLN  97          HG3       GLN  97   9.260 -12.884  -0.170
  742   1HE2  GLN  97          HE22      GLN  97  11.755 -10.621  -1.522
  743   2HE2  GLN  97          HE21      GLN  97  11.124 -10.615  -3.166
  744    H    GLU  98           H        GLU  98  11.512 -13.144   2.469
  745    HA   GLU  98           HA       GLU  98   9.421 -14.962   3.220
  746   1HB   GLU  98          HB2       GLU  98  12.440 -15.031   3.487
  747   2HB   GLU  98          HB3       GLU  98  11.435 -16.309   4.160
  748   1HG   GLU  98          HG2       GLU  98  11.312 -15.491   1.225
  749   2HG   GLU  98          HG3       GLU  98  12.370 -16.752   1.848
  750    H    LEU  99           H        LEU  99  11.586 -12.823   5.112
  751    HA   LEU  99           HA       LEU  99  10.812 -13.679   7.682
  752   1HB   LEU  99          HB2       LEU  99  12.751 -12.087   6.847
  753   2HB   LEU  99          HB3       LEU  99  11.521 -10.825   6.929
  754    HG   LEU  99           HG       LEU  99  11.122 -11.637   9.323
  755   1HD1  LEU  99          HD11      LEU  99  13.868 -12.882   8.811
  756   2HD1  LEU  99          HD12      LEU  99  13.157 -12.662  10.414
  757   3HD1  LEU  99          HD13      LEU  99  12.390 -13.757   9.256
  758   1HD2  LEU  99          HD21      LEU  99  12.237  -9.490   8.729
  759   2HD2  LEU  99          HD22      LEU  99  12.943 -10.203  10.186
  760   3HD2  LEU  99          HD23      LEU  99  13.795 -10.331   8.633
  761    H    VAL 100           H        VAL 100   9.375 -11.326   5.398
  762    HA   VAL 100           HA       VAL 100   7.160 -10.620   7.079
  763    HB   VAL 100           HB       VAL 100   7.710 -10.473   4.100
  764   1HG1  VAL 100          HG11      VAL 100   5.249  -9.430   5.543
  765   2HG1  VAL 100          HG12      VAL 100   5.760  -8.947   3.915
  766   3HG1  VAL 100          HG13      VAL 100   5.325 -10.621   4.226
  767   1HG2  VAL 100          HG21      VAL 100   7.531  -8.291   6.215
  768   2HG2  VAL 100          HG22      VAL 100   9.041  -8.993   5.599
  769   3HG2  VAL 100          HG23      VAL 100   7.994  -8.108   4.503
  770    H    ASN 101           H        ASN 101   7.635 -13.107   4.564
  771    HA   ASN 101           HA       ASN 101   4.996 -13.978   4.327
  772   1HB   ASN 101          HB2       ASN 101   6.869 -14.579   2.778
  773   2HB   ASN 101          HB3       ASN 101   7.502 -15.677   4.014
  774   1HD2  ASN 101          HD22      ASN 101   4.895 -15.145   1.682
  775   2HD2  ASN 101          HD21      ASN 101   4.241 -16.759   1.767
  776    H    LYS 102           H        LYS 102   7.478 -15.039   6.666
  777    HA   LYS 102           HA       LYS 102   5.905 -17.214   7.684
  778   1HB   LYS 102          HB2       LYS 102   7.477 -17.336   9.522
  779   2HB   LYS 102          HB3       LYS 102   8.296 -17.213   7.968
  780   1HG   LYS 102          HG2       LYS 102   8.763 -14.848   8.358
  781   2HG   LYS 102          HG3       LYS 102   7.914 -14.894   9.903
  782   1HD   LYS 102          HD2       LYS 102  10.397 -16.507   9.208
  783   2HD   LYS 102          HD3       LYS 102  10.431 -14.971  10.068
  784   1HE   LYS 102          HE2       LYS 102   8.852 -17.351  11.119
  785   2HE   LYS 102          HE3       LYS 102  10.577 -17.175  11.433
  786   1HZ   LYS 102          HZ1       LYS 102   9.120 -16.262  13.184
  787   2HZ   LYS 102          HZ2       LYS 102  10.209 -15.188  12.638
  788   3HZ   LYS 102          HZ3       LYS 102   8.632 -15.067  12.177
  789    H    HIS 103           H        HIS 103   5.229 -13.920   7.977
  790    HA   HIS 103           HA       HIS 103   3.464 -14.500  10.316
  791   1HB   HIS 103          HB2       HIS 103   4.901 -11.912   9.632
  792   2HB   HIS 103          HB3       HIS 103   3.634 -12.064  10.851
  793    HD1  HIS 103           HD1      HIS 103   4.241 -13.923  12.911
  794    HD2  HIS 103           HD2      HIS 103   7.339 -12.538  10.423
  795    HE1  HIS 103           HE1      HIS 103   6.417 -14.525  14.080
  796    H    LEU 104           H        LEU 104   3.579 -13.413   6.982
  797    HA   LEU 104           HA       LEU 104   1.063 -12.087   6.909
  798   1HB   LEU 104          HB2       LEU 104   2.614 -13.703   4.863
  799   2HB   LEU 104          HB3       LEU 104   1.009 -13.089   4.500
  800    HG   LEU 104           HG       LEU 104   3.372 -11.340   5.270
  801   1HD1  LEU 104          HD11      LEU 104   3.336 -10.675   2.871
  802   2HD1  LEU 104          HD12      LEU 104   3.675 -12.400   3.060
  803   3HD1  LEU 104          HD13      LEU 104   2.057 -11.865   2.562
  804   1HD2  LEU 104          HD21      LEU 104   0.584 -10.600   4.270
  805   2HD2  LEU 104          HD22      LEU 104   1.255 -10.239   5.871
  806   3HD2  LEU 104          HD23      LEU 104   1.946  -9.471   4.451
  Start of MODEL   10
    1   1H    MET   1          H1        MET   1   1.185  -1.833   1.815
    2   2H    MET   1          H2        MET   1  -0.464  -1.839   1.769
    3   3H    MET   1          H3        MET   1   0.416  -2.059   0.401
    4    HA   MET   1           HA       MET   1  -0.495   0.108   0.391
    5   1HB   MET   1          HB2       MET   1  -0.707   0.345   2.846
    6   2HB   MET   1          HB3       MET   1   1.035   0.569   2.981
    7   1HG   MET   1          HG2       MET   1   0.816   2.601   1.486
    8   2HG   MET   1          HG3       MET   1  -0.932   2.362   1.493
    9   1HE   MET   1          HE1       MET   1  -1.033   4.963   2.207
   10   2HE   MET   1          HE2       MET   1  -0.241   5.609   3.662
   11   3HE   MET   1          HE3       MET   1   0.743   5.043   2.295
   12    H    ALA   2           H        ALA   2   2.685   0.885   1.838
   13    HA   ALA   2           HA       ALA   2   4.191   0.765  -0.616
   14   1HB   ALA   2          HB1       ALA   2   3.166   3.462   0.405
   15   2HB   ALA   2          HB2       ALA   2   4.338   3.220  -0.907
   16   3HB   ALA   2          HB3       ALA   2   2.669   2.690  -1.119
   17    H    ILE   3           H        ILE   3   6.231   2.438  -0.049
   18    HA   ILE   3           HA       ILE   3   7.109   1.903   2.703
   19    HB   ILE   3           HB       ILE   3   8.301   3.569   0.459
   20   1HG1  ILE   3          HG12      ILE   3   9.732   1.127   1.436
   21   2HG1  ILE   3          HG13      ILE   3   8.211   0.781   0.630
   22   1HG2  ILE   3          HG21      ILE   3  10.414   3.523   1.820
   23   2HG2  ILE   3          HG22      ILE   3   9.127   4.472   2.565
   24   3HG2  ILE   3          HG23      ILE   3   9.489   2.844   3.178
   25   1HD1  ILE   3          HD11      ILE   3   8.877   2.040  -1.334
   26   2HD1  ILE   3          HD12      ILE   3  10.426   2.488  -0.558
   27   3HD1  ILE   3          HD13      ILE   3  10.081   0.789  -0.934
   28    H    VAL   4           H        VAL   4   7.097   3.433   4.320
   29    HA   VAL   4           HA       VAL   4   5.782   6.059   3.905
   30    HB   VAL   4           HB       VAL   4   5.074   3.962   6.006
   31   1HG1  VAL   4          HG11      VAL   4   3.835   6.686   5.464
   32   2HG1  VAL   4          HG12      VAL   4   3.085   5.430   6.470
   33   3HG1  VAL   4          HG13      VAL   4   4.612   6.109   6.967
   34   1HG2  VAL   4          HG21      VAL   4   3.496   4.825   3.544
   35   2HG2  VAL   4          HG22      VAL   4   4.147   3.206   3.888
   36   3HG2  VAL   4          HG23      VAL   4   2.835   3.841   4.865
   37    H    LYS   5           H        LYS   5   6.099   7.368   5.936
   38    HA   LYS   5           HA       LYS   5   8.685   6.831   7.359
   39   1HB   LYS   5          HB2       LYS   5   7.604   9.384   6.110
   40   2HB   LYS   5          HB3       LYS   5   8.603   9.425   7.548
   41   1HG   LYS   5          HG2       LYS   5  10.094   7.701   5.983
   42   2HG   LYS   5          HG3       LYS   5   9.333   8.698   4.735
   43   1HD   LYS   5          HD2       LYS   5  11.436   9.745   5.320
   44   2HD   LYS   5          HD3       LYS   5  10.148  10.738   6.034
   45   1HE   LYS   5          HE2       LYS   5  10.489   9.149   8.138
   46   2HE   LYS   5          HE3       LYS   5  12.014   8.737   7.379
   47   1HZ   LYS   5          HZ1       LYS   5  12.298  10.587   8.930
   48   2HZ   LYS   5          HZ2       LYS   5  12.591  11.136   7.419
   49   3HZ   LYS   5          HZ3       LYS   5  11.182  11.486   8.161
   50    H    ALA   6           H        ALA   6   8.577   7.145   9.542
   51    HA   ALA   6           HA       ALA   6   6.076   8.229  10.714
   52   1HB   ALA   6          HB1       ALA   6   5.701   5.776  10.522
   53   2HB   ALA   6          HB2       ALA   6   7.211   5.487  11.424
   54   3HB   ALA   6          HB3       ALA   6   5.836   6.288  12.212
   55    H    THR   7           H        THR   7   6.271   8.515  13.042
   56    HA   THR   7           HA       THR   7   8.980   8.634  14.178
   57    HB   THR   7           HB       THR   7   8.167  10.749  15.360
   58    HG1  THR   7           HG1      THR   7   6.556  11.929  14.313
   59   1HG2  THR   7          HG21      THR   7   8.574  10.999  12.336
   60   2HG2  THR   7          HG22      THR   7   8.848  12.271  13.547
   61   3HG2  THR   7          HG23      THR   7   9.869  10.827  13.538
   62    H    ASP   8           H        ASP   8   8.704   8.843  16.631
   63    HA   ASP   8           HA       ASP   8   7.312   6.761  17.697
   64   1HB   ASP   8          HB2       ASP   8   9.114   8.210  18.779
   65   2HB   ASP   8          HB3       ASP   8   7.848   9.361  19.184
   66    H    GLN   9           H        GLN   9   6.034   9.951  17.039
   67    HA   GLN   9           HA       GLN   9   3.723   9.955  18.672
   68   1HB   GLN   9          HB2       GLN   9   4.275  11.301  15.994
   69   2HB   GLN   9          HB3       GLN   9   2.944  11.713  17.079
   70   1HG   GLN   9          HG2       GLN   9   4.574  12.350  18.850
   71   2HG   GLN   9          HG3       GLN   9   5.909  12.000  17.750
   72   1HE2  GLN   9          HE22      GLN   9   3.302  14.282  18.499
   73   2HE2  GLN   9          HE21      GLN   9   3.795  15.509  17.360
   74    H    SER  10           H        SER  10   4.334   8.429  15.544
   75    HA   SER  10           HA       SER  10   1.463   7.593  15.363
   76   1HB   SER  10          HB2       SER  10   3.196   8.584  13.071
   77   2HB   SER  10          HB3       SER  10   1.478   8.155  13.010
   78    HG   SER  10           HG       SER  10   1.809  10.419  13.161
   79    H    PHE  11           H        PHE  11   4.676   6.466  15.394
   80    HA   PHE  11           HA       PHE  11   4.816   4.516  13.467
   81   1HB   PHE  11          HB2       PHE  11   6.603   5.170  15.060
   82   2HB   PHE  11          HB3       PHE  11   5.754   4.353  16.365
   83    HD1  PHE  11           HD1      PHE  11   7.632   3.908  13.197
   84    HD2  PHE  11           HD2      PHE  11   5.855   1.910  16.585
   85    HE1  PHE  11           HE1      PHE  11   8.838   1.839  12.606
   86    HE2  PHE  11           HE2      PHE  11   7.048  -0.176  15.970
   87    HZ   PHE  11           HZ       PHE  11   8.547  -0.219  13.995
   88    H    SER  12           H        SER  12   3.223   4.148  16.694
   89    HA   SER  12           HA       SER  12   2.537   1.455  16.393
   90   1HB   SER  12          HB2       SER  12   0.936   3.542  17.913
   91   2HB   SER  12          HB3       SER  12   1.099   1.814  18.281
   92    HG   SER  12           HG       SER  12   2.443   3.128  19.605
   93    H    ALA  13           H        ALA  13   0.812   4.364  15.274
   94    HA   ALA  13           HA       ALA  13  -1.586   2.956  14.538
   95   1HB   ALA  13          HB1       ALA  13  -2.162   5.024  13.332
   96   2HB   ALA  13          HB2       ALA  13  -1.584   5.396  14.967
   97   3HB   ALA  13          HB3       ALA  13  -0.517   5.646  13.563
   98    H    GLU  14           H        GLU  14   1.366   4.005  12.823
   99    HA   GLU  14           HA       GLU  14   0.507   3.122  10.261
  100   1HB   GLU  14          HB2       GLU  14   3.293   3.588  11.411
  101   2HB   GLU  14          HB3       GLU  14   3.034   3.087   9.745
  102   1HG   GLU  14          HG2       GLU  14   2.043   5.659  11.022
  103   2HG   GLU  14          HG3       GLU  14   3.346   5.488   9.842
  104    H    THR  15           H        THR  15   2.160   1.387  12.902
  105    HA   THR  15           HA       THR  15   2.564  -0.952  11.272
  106    HB   THR  15           HB       THR  15   3.455  -1.861  13.450
  107    HG1  THR  15           HG1      THR  15   3.314   0.826  14.296
  108   1HG2  THR  15          HG21      THR  15   4.597   0.721  12.278
  109   2HG2  THR  15          HG22      THR  15   5.456  -0.316  13.422
  110   3HG2  THR  15          HG23      THR  15   4.999  -0.951  11.835
  111    H    SER  16           H        SER  16  -0.271   0.152  12.468
  112    HA   SER  16           HA       SER  16  -1.212  -2.490  13.374
  113   1HB   SER  16          HB2       SER  16  -2.437   0.284  13.650
  114   2HB   SER  16          HB3       SER  16  -3.179  -1.220  14.227
  115    HG   SER  16           HG       SER  16  -0.799   0.030  15.118
  116    H    GLU  17           H        GLU  17  -0.632  -1.972  10.580
  117    HA   GLU  17           HA       GLU  17  -3.322  -2.521   9.428
  118   1HB   GLU  17          HB2       GLU  17  -1.277  -0.586   8.287
  119   2HB   GLU  17          HB3       GLU  17  -2.715  -1.182   7.438
  120   1HG   GLU  17          HG2       GLU  17  -4.113  -0.273   9.362
  121   2HG   GLU  17          HG3       GLU  17  -2.654   0.549   9.935
  122    H    GLY  18           H        GLY  18  -2.122  -4.666  10.091
  123   1HA   GLY  18          HA2       GLY  18  -1.882  -6.695   8.922
  124   2HA   GLY  18          HA3       GLY  18  -1.295  -5.827   7.499
  125    H    VAL  19           H        VAL  19   0.509  -7.268   7.400
  126    HA   VAL  19           HA       VAL  19   2.571  -7.202   9.492
  127    HB   VAL  19           HB       VAL  19   2.710  -8.147   6.588
  128   1HG1  VAL  19          HG11      VAL  19   4.792  -9.323   7.334
  129   2HG1  VAL  19          HG12      VAL  19   4.967  -7.568   7.419
  130   3HG1  VAL  19          HG13      VAL  19   4.677  -8.500   8.903
  131   1HG2  VAL  19          HG21      VAL  19   2.426  -9.740   9.178
  132   2HG2  VAL  19          HG22      VAL  19   1.176  -9.558   7.928
  133   3HG2  VAL  19          HG23      VAL  19   2.665 -10.427   7.557
  134    H    VAL  20           H        VAL  20   4.163  -5.693   9.604
  135    HA   VAL  20           HA       VAL  20   4.531  -3.755   7.402
  136    HB   VAL  20           HB       VAL  20   4.142  -3.040  10.346
  137   1HG1  VAL  20          HG11      VAL  20   4.617  -1.294   7.889
  138   2HG1  VAL  20          HG12      VAL  20   4.165  -0.681   9.490
  139   3HG1  VAL  20          HG13      VAL  20   5.714  -1.496   9.269
  140   1HG2  VAL  20          HG21      VAL  20   2.269  -2.780   7.953
  141   2HG2  VAL  20          HG22      VAL  20   1.948  -3.510   9.533
  142   3HG2  VAL  20          HG23      VAL  20   2.085  -1.761   9.377
  143    H    LEU  21           H        LEU  21   6.717  -3.166   7.215
  144    HA   LEU  21           HA       LEU  21   8.612  -4.546   9.080
  145   1HB   LEU  21          HB2       LEU  21   8.242  -5.616   6.833
  146   2HB   LEU  21          HB3       LEU  21   8.978  -4.188   6.088
  147    HG   LEU  21           HG       LEU  21  10.249  -6.136   8.066
  148   1HD1  LEU  21          HD11      LEU  21   9.915  -7.012   5.771
  149   2HD1  LEU  21          HD12      LEU  21  10.835  -5.637   5.122
  150   3HD1  LEU  21          HD13      LEU  21  11.628  -6.837   6.167
  151   1HD2  LEU  21          HD21      LEU  21  11.445  -3.649   6.790
  152   2HD2  LEU  21          HD22      LEU  21  11.366  -4.082   8.523
  153   3HD2  LEU  21          HD23      LEU  21  12.417  -4.984   7.438
  154    H    ALA  22           H        ALA  22   9.332  -2.951  10.325
  155    HA   ALA  22           HA       ALA  22   9.565  -0.217   9.287
  156   1HB   ALA  22          HB1       ALA  22  10.148   0.280  11.655
  157   2HB   ALA  22          HB2       ALA  22   8.561  -0.517  11.493
  158   3HB   ALA  22          HB3       ALA  22   9.981  -1.449  12.031
  159    H    ASP  23           H        ASP  23  11.532   0.851   9.191
  160    HA   ASP  23           HA       ASP  23  14.046  -0.764   9.308
  161   1HB   ASP  23          HB2       ASP  23  13.484  -0.518   6.994
  162   2HB   ASP  23          HB3       ASP  23  13.076   1.187   7.201
  163    H    PHE  24           H        PHE  24  14.729  -0.072  11.202
  164    HA   PHE  24           HA       PHE  24  14.681   2.725  12.094
  165   1HB   PHE  24          HB2       PHE  24  15.748   0.116  13.260
  166   2HB   PHE  24          HB3       PHE  24  16.070   1.685  13.966
  167    HD1  PHE  24           HD1      PHE  24  13.129  -0.406  12.800
  168    HD2  PHE  24           HD2      PHE  24  14.613   2.485  15.640
  169    HE1  PHE  24           HE1      PHE  24  10.913  -0.314  13.893
  170    HE2  PHE  24           HE2      PHE  24  12.385   2.582  16.699
  171    HZ   PHE  24           HZ       PHE  24  10.507   1.227  15.777
  172    H    TRP  25           H        TRP  25  16.067   4.072  11.192
  173    HA   TRP  25           HA       TRP  25  18.784   3.267  10.529
  174   1HB   TRP  25          HB2       TRP  25  18.508   3.052   8.342
  175   2HB   TRP  25          HB3       TRP  25  16.787   3.059   8.574
  176    HD1  TRP  25           HD1      TRP  25  19.495   4.880   6.847
  177    HE1  TRP  25           HE1      TRP  25  18.553   6.920   5.614
  178    HE3  TRP  25           HE3      TRP  25  14.967   5.240   9.169
  179    HZ2  TRP  25           HZ2      TRP  25  16.321   8.723   5.883
  180    HZ3  TRP  25           HZ3      TRP  25  13.494   7.211   8.754
  181    HH2  TRP  25           HH2      TRP  25  14.179   8.954   7.110
  182    H    ALA  26           H        ALA  26  19.705   5.508   9.293
  183    HA   ALA  26           HA       ALA  26  18.436   7.917  10.156
  184   1HB   ALA  26          HB1       ALA  26  19.656   7.471  12.255
  185   2HB   ALA  26          HB2       ALA  26  21.155   7.196  11.336
  186   3HB   ALA  26          HB3       ALA  26  20.411   8.815  11.391
  187    HA   PRO  27           HA       PRO  27  20.417   8.652   6.285
  188   1HB   PRO  27          HB2       PRO  27  20.788  11.539   7.001
  189   2HB   PRO  27          HB3       PRO  27  20.040  10.793   5.546
  190   1HG   PRO  27          HG2       PRO  27  18.504  11.851   7.562
  191   2HG   PRO  27          HG3       PRO  27  18.026  10.346   6.716
  192   1HD   PRO  27          HD2       PRO  27  19.360  10.639   9.413
  193   2HD   PRO  27          HD3       PRO  27  18.039   9.543   8.899
  194    H    TRP  28           H        TRP  28  22.285   9.464   9.160
  195    HA   TRP  28           HA       TRP  28  24.726  10.015   7.710
  196   1HB   TRP  28          HB2       TRP  28  25.855   9.776   9.815
  197   2HB   TRP  28          HB3       TRP  28  24.412  10.744  10.035
  198    HD1  TRP  28           HD1      TRP  28  22.633   9.889  11.725
  199    HE1  TRP  28           HE1      TRP  28  22.548   8.042  13.478
  200    HE3  TRP  28           HE3      TRP  28  26.717   7.177  10.231
  201    HZ2  TRP  28           HZ2      TRP  28  23.978   5.590  14.075
  202    HZ3  TRP  28           HZ3      TRP  28  27.304   5.069  11.387
  203    HH2  TRP  28           HH2      TRP  28  25.940   4.259  13.303
  204    H    CYS  29           H        CYS  29  22.923   7.142   8.345
  205    HA   CYS  29           HA       CYS  29  24.896   5.205   8.738
  206   1HB   CYS  29          HB2       CYS  29  22.379   5.050   9.036
  207   2HB   CYS  29          HB3       CYS  29  22.240   4.957   7.307
  208    H    GLY  30           H        GLY  30  25.913   3.726   7.310
  209   1HA   GLY  30          HA2       GLY  30  26.051   4.477   4.417
  210   2HA   GLY  30          HA3       GLY  30  27.261   3.563   5.316
  211    HA   PRO  31           HA       PRO  31  25.476  -0.332   4.391
  212   1HB   PRO  31          HB2       PRO  31  24.432  -0.807   7.180
  213   2HB   PRO  31          HB3       PRO  31  25.419  -1.885   6.154
  214   1HG   PRO  31          HG2       PRO  31  26.569  -0.472   8.160
  215   2HG   PRO  31          HG3       PRO  31  27.385  -0.599   6.568
  216   1HD   PRO  31          HD2       PRO  31  25.728   1.697   7.646
  217   2HD   PRO  31          HD3       PRO  31  27.287   1.741   6.770
  218    H    CYS  32           H        CYS  32  23.187   1.606   6.349
  219    HA   CYS  32           HA       CYS  32  20.775   0.377   5.609
  220   1HB   CYS  32          HB2       CYS  32  21.160   3.365   5.932
  221   2HB   CYS  32          HB3       CYS  32  19.701   2.429   6.188
  222    H    LYS  33           H        LYS  33  22.849   2.630   3.756
  223    HA   LYS  33           HA       LYS  33  20.869   3.270   1.778
  224   1HB   LYS  33          HB2       LYS  33  23.885   3.375   1.433
  225   2HB   LYS  33          HB3       LYS  33  22.675   4.313   0.571
  226   1HG   LYS  33          HG2       LYS  33  23.398   4.595   3.522
  227   2HG   LYS  33          HG3       LYS  33  23.921   5.647   2.216
  228   1HD   LYS  33          HD2       LYS  33  21.650   6.461   1.864
  229   2HD   LYS  33          HD3       LYS  33  20.992   5.265   2.985
  230   1HE   LYS  33          HE2       LYS  33  21.131   7.495   4.052
  231   2HE   LYS  33          HE3       LYS  33  22.129   6.279   4.879
  232   1HZ   LYS  33          HZ1       LYS  33  23.182   8.471   4.544
  233   2HZ   LYS  33          HZ2       LYS  33  24.053   7.207   4.021
  234   3HZ   LYS  33          HZ3       LYS  33  23.271   8.186   2.926
  235    H    MET  34           H        MET  34  23.014   0.505   2.270
  236    HA   MET  34           HA       MET  34  22.979  -0.400  -0.455
  237   1HB   MET  34          HB2       MET  34  23.353  -2.076   2.051
  238   2HB   MET  34          HB3       MET  34  23.821  -2.498   0.405
  239   1HG   MET  34          HG2       MET  34  25.415  -0.541   0.432
  240   2HG   MET  34          HG3       MET  34  25.031  -0.313   2.136
  241   1HE   MET  34          HE1       MET  34  24.836  -3.826   2.705
  242   2HE   MET  34          HE2       MET  34  26.359  -3.820   3.613
  243   3HE   MET  34          HE3       MET  34  25.176  -2.514   3.851
  244    H    ILE  35           H        ILE  35  20.990  -1.059   2.458
  245    HA   ILE  35           HA       ILE  35  19.413  -3.003   1.001
  246    HB   ILE  35           HB       ILE  35  20.090  -3.367   3.316
  247   1HG1  ILE  35          HG12      ILE  35  17.069  -3.343   3.014
  248   2HG1  ILE  35          HG13      ILE  35  18.148  -4.516   2.249
  249   1HG2  ILE  35          HG21      ILE  35  18.110  -1.181   4.057
  250   2HG2  ILE  35          HG22      ILE  35  18.975  -2.241   5.191
  251   3HG2  ILE  35          HG23      ILE  35  19.885  -1.110   4.211
  252   1HD1  ILE  35          HD11      ILE  35  18.948  -5.205   4.517
  253   2HD1  ILE  35          HD12      ILE  35  17.749  -4.110   5.245
  254   3HD1  ILE  35          HD13      ILE  35  17.218  -5.479   4.266
  255    H    ALA  36           H        ALA  36  19.055   0.447   1.740
  256    HA   ALA  36           HA       ALA  36  16.350   0.790   1.551
  257   1HB   ALA  36          HB1       ALA  36  17.887   2.610   1.982
  258   2HB   ALA  36          HB2       ALA  36  18.502   2.553   0.317
  259   3HB   ALA  36          HB3       ALA  36  16.820   3.033   0.629
  260    HA   PRO  37           HA       PRO  37  16.084   0.683  -3.201
  261   1HB   PRO  37          HB2       PRO  37  18.000  -0.618  -4.703
  262   2HB   PRO  37          HB3       PRO  37  18.010   1.138  -4.360
  263   1HG   PRO  37          HG2       PRO  37  19.505  -1.055  -2.896
  264   2HG   PRO  37          HG3       PRO  37  20.140   0.515  -3.486
  265   1HD   PRO  37          HD2       PRO  37  19.407   0.191  -0.914
  266   2HD   PRO  37          HD3       PRO  37  19.033   1.712  -1.770
  267    H    VAL  38           H        VAL  38  17.526  -2.009  -1.385
  268    HA   VAL  38           HA       VAL  38  16.099  -4.037  -2.840
  269    HB   VAL  38           HB       VAL  38  17.120  -4.310   0.007
  270   1HG1  VAL  38          HG11      VAL  38  16.658  -6.236  -2.317
  271   2HG1  VAL  38          HG12      VAL  38  17.371  -6.688  -0.736
  272   3HG1  VAL  38          HG13      VAL  38  15.697  -6.127  -0.837
  273   1HG2  VAL  38          HG21      VAL  38  19.033  -3.480  -1.327
  274   2HG2  VAL  38          HG22      VAL  38  19.232  -5.180  -0.920
  275   3HG2  VAL  38          HG23      VAL  38  18.719  -4.717  -2.562
  276    H    LEU  39           H        LEU  39  15.438  -2.043   0.117
  277    HA   LEU  39           HA       LEU  39  12.904  -3.241   0.627
  278   1HB   LEU  39          HB2       LEU  39  13.905  -0.438   1.246
  279   2HB   LEU  39          HB3       LEU  39  12.381  -1.091   1.820
  280    HG   LEU  39           HG       LEU  39  15.112  -2.267   2.452
  281   1HD1  LEU  39          HD11      LEU  39  14.790  -0.065   3.491
  282   2HD1  LEU  39          HD12      LEU  39  13.250  -0.606   4.196
  283   3HD1  LEU  39          HD13      LEU  39  14.783  -1.351   4.707
  284   1HD2  LEU  39          HD21      LEU  39  13.916  -3.593   4.175
  285   2HD2  LEU  39          HD22      LEU  39  12.364  -2.959   3.586
  286   3HD2  LEU  39          HD23      LEU  39  13.363  -4.003   2.553
  287    H    GLU  40           H        GLU  40  13.842  -0.561  -1.597
  288    HA   GLU  40           HA       GLU  40  11.171  -0.076  -2.469
  289   1HB   GLU  40          HB2       GLU  40  13.779   0.221  -3.993
  290   2HB   GLU  40          HB3       GLU  40  12.200   0.719  -4.601
  291   1HG   GLU  40          HG2       GLU  40  11.913   2.219  -2.640
  292   2HG   GLU  40          HG3       GLU  40  13.521   1.776  -2.066
  293    H    GLU  41           H        GLU  41  13.551  -2.505  -3.624
  294    HA   GLU  41           HA       GLU  41  11.785  -3.610  -5.578
  295   1HB   GLU  41          HB2       GLU  41  14.165  -4.804  -4.115
  296   2HB   GLU  41          HB3       GLU  41  13.232  -5.676  -5.335
  297   1HG   GLU  41          HG2       GLU  41  13.689  -3.891  -6.990
  298   2HG   GLU  41          HG3       GLU  41  14.680  -3.040  -5.811
  299    H    LEU  42           H        LEU  42  12.239  -4.332  -2.125
  300    HA   LEU  42           HA       LEU  42  10.506  -6.563  -1.976
  301   1HB   LEU  42          HB2       LEU  42  12.133  -5.821  -0.191
  302   2HB   LEU  42          HB3       LEU  42  11.073  -4.458   0.158
  303    HG   LEU  42           HG       LEU  42   9.239  -6.068   0.759
  304   1HD1  LEU  42          HD11      LEU  42  11.463  -8.134   0.425
  305   2HD1  LEU  42          HD12      LEU  42   9.915  -8.429   1.246
  306   3HD1  LEU  42          HD13      LEU  42   9.932  -8.047  -0.479
  307   1HD2  LEU  42          HD21      LEU  42  11.864  -6.255   2.285
  308   2HD2  LEU  42          HD22      LEU  42  10.581  -5.055   2.504
  309   3HD2  LEU  42          HD23      LEU  42  10.277  -6.747   2.925
  310    H    ASP  43           H        ASP  43   9.873  -3.039  -1.624
  311    HA   ASP  43           HA       ASP  43   7.116  -3.219  -1.050
  312   1HB   ASP  43          HB2       ASP  43   8.540  -1.127  -0.954
  313   2HB   ASP  43          HB3       ASP  43   8.472  -1.066  -2.728
  314    H    GLN  44           H        GLN  44   8.869  -3.075  -4.147
  315    HA   GLN  44           HA       GLN  44   6.492  -3.134  -5.754
  316   1HB   GLN  44          HB2       GLN  44   9.423  -3.613  -6.375
  317   2HB   GLN  44          HB3       GLN  44   8.160  -3.582  -7.613
  318   1HG   GLN  44          HG2       GLN  44   7.574  -1.297  -7.122
  319   2HG   GLN  44          HG3       GLN  44   8.562  -1.260  -5.664
  320   1HE2  GLN  44          HE22      GLN  44  10.869  -1.294  -5.862
  321   2HE2  GLN  44          HE21      GLN  44  11.673  -0.759  -7.338
  322    H    GLU  45           H        GLU  45   7.973  -5.641  -3.965
  323    HA   GLU  45           HA       GLU  45   6.948  -7.802  -5.713
  324   1HB   GLU  45          HB2       GLU  45   8.894  -7.671  -3.385
  325   2HB   GLU  45          HB3       GLU  45   8.301  -9.202  -4.010
  326   1HG   GLU  45          HG2       GLU  45   9.566  -7.208  -5.909
  327   2HG   GLU  45          HG3       GLU  45  10.568  -8.195  -4.849
  328    H    MET  46           H        MET  46   6.490  -6.276  -2.547
  329    HA   MET  46           HA       MET  46   4.355  -8.277  -1.914
  330   1HB   MET  46          HB2       MET  46   6.289  -6.977   0.037
  331   2HB   MET  46          HB3       MET  46   5.112  -8.249   0.359
  332   1HG   MET  46          HG2       MET  46   6.478  -9.590  -1.471
  333   2HG   MET  46          HG3       MET  46   7.737  -8.406  -1.120
  334   1HE   MET  46          HE1       MET  46   6.168 -11.825   1.486
  335   2HE   MET  46          HE2       MET  46   5.054 -10.621   0.783
  336   3HE   MET  46          HE3       MET  46   6.071 -11.631  -0.280
  337    H    GLY  47           H        GLY  47   4.753  -4.971  -2.511
  338   1HA   GLY  47          HA2       GLY  47   3.594  -3.661  -0.389
  339   2HA   GLY  47          HA3       GLY  47   3.467  -3.158  -2.080
  340    H    ASP  48           H        ASP  48   1.870  -5.906  -2.353
  341    HA   ASP  48           HA       ASP  48  -0.780  -4.780  -2.086
  342   1HB   ASP  48          HB2       ASP  48  -0.244  -6.384  -3.864
  343   2HB   ASP  48          HB3       ASP  48   0.162  -7.612  -2.660
  344    H    LYS  49           H        LYS  49   1.345  -6.811  -0.139
  345    HA   LYS  49           HA       LYS  49  -0.768  -7.188   1.949
  346   1HB   LYS  49          HB2       LYS  49   1.763  -8.820   1.381
  347   2HB   LYS  49          HB3       LYS  49   0.603  -9.123   2.669
  348   1HG   LYS  49          HG2       LYS  49   0.088  -9.381  -0.315
  349   2HG   LYS  49          HG3       LYS  49   0.281 -10.691   0.857
  350   1HD   LYS  49          HD2       LYS  49  -1.761  -9.749   2.083
  351   2HD   LYS  49          HD3       LYS  49  -2.022  -8.700   0.686
  352   1HE   LYS  49          HE2       LYS  49  -2.033 -11.747   0.724
  353   2HE   LYS  49          HE3       LYS  49  -3.428 -10.678   0.561
  354   1HZ   LYS  49          HZ1       LYS  49  -2.866 -11.425  -1.589
  355   2HZ   LYS  49          HZ2       LYS  49  -2.366  -9.859  -1.544
  356   3HZ   LYS  49          HZ3       LYS  49  -1.282 -11.081  -1.425
  357    H    LEU  50           H        LEU  50   2.352  -5.783   1.225
  358    HA   LEU  50           HA       LEU  50   3.024  -5.590   4.095
  359   1HB   LEU  50          HB2       LEU  50   4.503  -6.783   2.448
  360   2HB   LEU  50          HB3       LEU  50   4.698  -5.266   1.573
  361    HG   LEU  50           HG       LEU  50   5.863  -4.274   3.521
  362   1HD1  LEU  50          HD11      LEU  50   5.506  -7.040   4.762
  363   2HD1  LEU  50          HD12      LEU  50   6.576  -5.769   5.383
  364   3HD1  LEU  50          HD13      LEU  50   4.837  -5.517   5.383
  365   1HD2  LEU  50          HD21      LEU  50   7.147  -5.366   1.775
  366   2HD2  LEU  50          HD22      LEU  50   7.912  -5.621   3.351
  367   3HD2  LEU  50          HD23      LEU  50   6.984  -6.936   2.588
  368    H    LYS  51           H        LYS  51   4.008  -3.675   4.905
  369    HA   LYS  51           HA       LYS  51   3.910  -1.194   3.314
  370   1HB   LYS  51          HB2       LYS  51   1.919  -1.124   4.856
  371   2HB   LYS  51          HB3       LYS  51   2.983  -1.485   6.216
  372   1HG   LYS  51          HG2       LYS  51   4.263   0.678   5.620
  373   2HG   LYS  51          HG3       LYS  51   2.936   1.048   4.523
  374   1HD   LYS  51          HD2       LYS  51   2.711   0.581   7.533
  375   2HD   LYS  51          HD3       LYS  51   2.804   2.160   6.745
  376   1HE   LYS  51          HE2       LYS  51   0.697   1.662   5.506
  377   2HE   LYS  51          HE3       LYS  51   0.569   0.114   6.365
  378   1HZ   LYS  51          HZ1       LYS  51   0.466   1.346   8.431
  379   2HZ   LYS  51          HZ2       LYS  51   0.607   2.788   7.650
  380   3HZ   LYS  51          HZ3       LYS  51  -0.739   1.866   7.433
  381    H    ILE  52           H        ILE  52   5.813   0.053   3.846
  382    HA   ILE  52           HA       ILE  52   7.733  -1.308   5.680
  383    HB   ILE  52           HB       ILE  52   8.281   0.012   3.008
  384   1HG1  ILE  52          HG12      ILE  52   8.675  -2.867   3.947
  385   2HG1  ILE  52          HG13      ILE  52   7.413  -2.303   2.852
  386   1HG2  ILE  52          HG21      ILE  52  10.052   0.607   4.645
  387   2HG2  ILE  52          HG22      ILE  52  10.299  -1.121   4.995
  388   3HG2  ILE  52          HG23      ILE  52  10.665  -0.451   3.390
  389   1HD1  ILE  52          HD11      ILE  52  10.377  -2.437   2.265
  390   2HD1  ILE  52          HD12      ILE  52   9.050  -3.312   1.490
  391   3HD1  ILE  52          HD13      ILE  52   9.210  -1.564   1.245
  392    H    VAL  53           H        VAL  53   8.719   0.136   7.158
  393    HA   VAL  53           HA       VAL  53   7.721   2.968   7.023
  394    HB   VAL  53           HB       VAL  53   7.498   1.024   9.351
  395   1HG1  VAL  53          HG11      VAL  53   6.443   2.927  10.576
  396   2HG1  VAL  53          HG12      VAL  53   8.146   3.241  10.242
  397   3HG1  VAL  53          HG13      VAL  53   6.898   4.020   9.246
  398   1HG2  VAL  53          HG21      VAL  53   5.689   0.833   7.678
  399   2HG2  VAL  53          HG22      VAL  53   5.092   1.533   9.187
  400   3HG2  VAL  53          HG23      VAL  53   5.392   2.576   7.786
  401    H    LYS  54           H        LYS  54   9.614   4.035   6.589
  402    HA   LYS  54           HA       LYS  54  12.112   3.248   7.949
  403   1HB   LYS  54          HB2       LYS  54  11.508   5.762   6.336
  404   2HB   LYS  54          HB3       LYS  54  13.105   5.180   6.836
  405   1HG   LYS  54          HG2       LYS  54  12.727   3.088   5.497
  406   2HG   LYS  54          HG3       LYS  54  11.236   3.794   4.863
  407   1HD   LYS  54          HD2       LYS  54  14.032   4.967   4.535
  408   2HD   LYS  54          HD3       LYS  54  13.152   4.030   3.318
  409   1HE   LYS  54          HE2       LYS  54  11.345   5.755   3.307
  410   2HE   LYS  54          HE3       LYS  54  12.266   6.714   4.474
  411   1HZ   LYS  54          HZ1       LYS  54  14.035   6.909   2.820
  412   2HZ   LYS  54          HZ2       LYS  54  13.186   6.023   1.740
  413   3HZ   LYS  54          HZ3       LYS  54  12.636   7.479   2.212
  414    H    ILE  55           H        ILE  55  12.874   4.156   9.863
  415    HA   ILE  55           HA       ILE  55  11.582   6.607  10.861
  416    HB   ILE  55           HB       ILE  55  10.237   4.941  11.856
  417   1HG1  ILE  55          HG12      ILE  55  12.167   5.885  14.009
  418   2HG1  ILE  55          HG13      ILE  55  11.049   6.958  13.164
  419   1HG2  ILE  55          HG21      ILE  55  11.710   2.948  11.724
  420   2HG2  ILE  55          HG22      ILE  55  12.700   3.608  13.044
  421   3HG2  ILE  55          HG23      ILE  55  11.014   3.154  13.330
  422   1HD1  ILE  55          HD11      ILE  55  10.241   4.582  14.884
  423   2HD1  ILE  55          HD12      ILE  55  10.082   6.296  15.290
  424   3HD1  ILE  55          HD13      ILE  55   9.125   5.623  13.964
  425    H    ASP  56           H        ASP  56  12.991   8.005  11.537
  426    HA   ASP  56           HA       ASP  56  15.834   7.407  11.307
  427   1HB   ASP  56          HB2       ASP  56  14.999   9.391  10.254
  428   2HB   ASP  56          HB3       ASP  56  14.291   9.965  11.770
  429    H    VAL  57           H        VAL  57  16.739   6.446  13.097
  430    HA   VAL  57           HA       VAL  57  15.577   6.550  15.674
  431    HB   VAL  57           HB       VAL  57  17.555   5.402  16.468
  432   1HG1  VAL  57          HG11      VAL  57  15.795   4.226  15.137
  433   2HG1  VAL  57          HG12      VAL  57  16.830   4.350  13.706
  434   3HG1  VAL  57          HG13      VAL  57  17.380   3.424  15.119
  435   1HG2  VAL  57          HG21      VAL  57  19.367   6.592  15.273
  436   2HG2  VAL  57          HG22      VAL  57  19.465   4.846  15.036
  437   3HG2  VAL  57          HG23      VAL  57  18.832   5.875  13.741
  438    H    ASP  58           H        ASP  58  17.779   8.848  14.146
  439    HA   ASP  58           HA       ASP  58  18.959   9.838  16.581
  440   1HB   ASP  58          HB2       ASP  58  19.927  10.179  14.322
  441   2HB   ASP  58          HB3       ASP  58  18.565  11.231  13.910
  442    H    GLU  59           H        GLU  59  15.842  10.249  15.134
  443    HA   GLU  59           HA       GLU  59  15.159  12.521  16.957
  444   1HB   GLU  59          HB2       GLU  59  14.099  11.622  14.249
  445   2HB   GLU  59          HB3       GLU  59  13.222  12.764  15.259
  446   1HG   GLU  59          HG2       GLU  59  16.080  13.242  14.318
  447   2HG   GLU  59          HG3       GLU  59  14.651  13.781  13.448
  448    H    ASN  60           H        ASN  60  15.042   9.225  16.932
  449    HA   ASN  60           HA       ASN  60  12.376   9.058  18.242
  450   1HB   ASN  60          HB2       ASN  60  13.228   7.379  15.849
  451   2HB   ASN  60          HB3       ASN  60  11.836   7.050  16.873
  452   1HD2  ASN  60          HD22      ASN  60  13.032   9.051  14.283
  453   2HD2  ASN  60          HD21      ASN  60  11.543   9.943  14.018
  454    H    GLN  61           H        GLN  61  14.847   9.125  19.471
  455    HA   GLN  61           HA       GLN  61  16.079   6.651  19.997
  456   1HB   GLN  61          HB2       GLN  61  15.666   9.116  21.735
  457   2HB   GLN  61          HB3       GLN  61  16.677   7.757  22.221
  458   1HG   GLN  61          HG2       GLN  61  17.134   9.354  19.663
  459   2HG   GLN  61          HG3       GLN  61  17.924   9.695  21.198
  460   1HE2  GLN  61          HE22      GLN  61  17.923   7.641  18.385
  461   2HE2  GLN  61          HE21      GLN  61  19.293   6.638  18.852
  462    H    GLU  62           H        GLU  62  13.032   8.008  21.292
  463    HA   GLU  62           HA       GLU  62  12.731   6.140  23.413
  464   1HB   GLU  62          HB2       GLU  62  10.645   7.671  21.793
  465   2HB   GLU  62          HB3       GLU  62  10.303   6.788  23.281
  466   1HG   GLU  62          HG2       GLU  62  12.174   9.183  23.023
  467   2HG   GLU  62          HG3       GLU  62  10.538   9.215  23.661
  468    H    THR  63           H        THR  63  11.497   6.047  19.984
  469    HA   THR  63           HA       THR  63  10.177   3.559  20.327
  470    HB   THR  63           HB       THR  63  11.267   4.406  17.695
  471    HG1  THR  63           HG1      THR  63   9.290   5.863  19.114
  472   1HG2  THR  63          HG21      THR  63   8.456   3.592  18.513
  473   2HG2  THR  63          HG22      THR  63   9.026   3.901  16.852
  474   3HG2  THR  63          HG23      THR  63   9.679   2.542  17.768
  475    H    ALA  64           H        ALA  64  13.465   4.457  19.159
  476    HA   ALA  64           HA       ALA  64  14.364   1.830  18.545
  477   1HB   ALA  64          HB1       ALA  64  16.647   2.823  18.932
  478   2HB   ALA  64          HB2       ALA  64  15.624   3.868  17.928
  479   3HB   ALA  64          HB3       ALA  64  15.890   4.251  19.643
  480    H    GLY  65           H        GLY  65  14.503   3.655  21.650
  481   1HA   GLY  65          HA2       GLY  65  15.667   1.642  23.240
  482   2HA   GLY  65          HA3       GLY  65  14.617   2.958  23.801
  483    H    LYS  66           H        LYS  66  12.309   2.038  22.131
  484    HA   LYS  66           HA       LYS  66  10.960   0.454  23.975
  485   1HB   LYS  66          HB2       LYS  66  10.074   1.926  21.996
  486   2HB   LYS  66          HB3       LYS  66  10.345   0.515  20.997
  487   1HG   LYS  66          HG2       LYS  66   8.038   0.597  21.588
  488   2HG   LYS  66          HG3       LYS  66   8.757  -0.804  22.379
  489   1HD   LYS  66          HD2       LYS  66   8.830   0.421  24.529
  490   2HD   LYS  66          HD3       LYS  66   8.218   1.886  23.725
  491   1HE   LYS  66          HE2       LYS  66   6.140   0.662  23.111
  492   2HE   LYS  66          HE3       LYS  66   6.756  -0.791  23.908
  493   1HZ   LYS  66          HZ1       LYS  66   6.732   0.430  26.007
  494   2HZ   LYS  66          HZ2       LYS  66   6.165   1.775  25.269
  495   3HZ   LYS  66          HZ3       LYS  66   5.248   0.432  25.338
  496    H    TYR  67           H        TYR  67  13.011  -0.571  21.261
  497    HA   TYR  67           HA       TYR  67  12.544  -3.413  22.074
  498   1HB   TYR  67          HB2       TYR  67  13.502  -2.694  19.338
  499   2HB   TYR  67          HB3       TYR  67  12.584  -4.093  19.865
  500    HD1  TYR  67           HD1      TYR  67  12.486  -0.817  18.383
  501    HD2  TYR  67           HD2      TYR  67  10.075  -3.644  20.578
  502    HE1  TYR  67           HE1      TYR  67  10.503   0.465  17.813
  503    HE2  TYR  67           HE2      TYR  67   8.033  -2.383  19.947
  504    HH   TYR  67           HH       TYR  67   8.151   0.628  17.999
  505    H    GLY  68           H        GLY  68  14.688  -1.155  22.747
  506   1HA   GLY  68          HA2       GLY  68  16.896  -1.105  23.273
  507   2HA   GLY  68          HA3       GLY  68  16.910  -2.872  23.151
  508    H    VAL  69           H        VAL  69  16.075  -0.721  20.414
  509    HA   VAL  69           HA       VAL  69  18.135  -1.828  18.698
  510    HB   VAL  69           HB       VAL  69  16.433   0.679  18.374
  511   1HG1  VAL  69          HG11      VAL  69  16.888   0.372  15.943
  512   2HG1  VAL  69          HG12      VAL  69  18.345   0.742  16.866
  513   3HG1  VAL  69          HG13      VAL  69  18.034  -0.925  16.346
  514   1HG2  VAL  69          HG21      VAL  69  15.895  -2.163  17.439
  515   2HG2  VAL  69          HG22      VAL  69  14.935  -1.192  18.574
  516   3HG2  VAL  69          HG23      VAL  69  15.002  -0.730  16.880
  517    H    MET  70           H        MET  70  20.227  -1.250  18.717
  518    HA   MET  70           HA       MET  70  21.065   1.407  19.760
  519   1HB   MET  70          HB2       MET  70  21.125  -0.515  21.464
  520   2HB   MET  70          HB3       MET  70  22.404  -1.228  20.475
  521   1HG   MET  70          HG2       MET  70  23.819   0.757  20.880
  522   2HG   MET  70          HG3       MET  70  22.477   1.567  21.687
  523   1HE   MET  70          HE1       MET  70  24.936  -1.965  23.434
  524   2HE   MET  70          HE2       MET  70  23.818  -2.217  22.079
  525   3HE   MET  70          HE3       MET  70  25.248  -1.177  21.873
  526    H    SER  71           H        SER  71  20.985  -0.499  17.111
  527    HA   SER  71           HA       SER  71  23.367   0.625  15.902
  528   1HB   SER  71          HB2       SER  71  22.719  -2.362  15.787
  529   2HB   SER  71          HB3       SER  71  24.043  -1.544  14.942
  530    HG   SER  71           HG       SER  71  24.736  -2.603  16.854
  531    H    ILE  72           H        ILE  72  23.130   0.378  13.466
  532    HA   ILE  72           HA       ILE  72  20.451  -0.274  12.519
  533    HB   ILE  72           HB       ILE  72  20.297   1.841  11.238
  534   1HG1  ILE  72          HG12      ILE  72  22.446   2.949  13.096
  535   2HG1  ILE  72          HG13      ILE  72  22.717   2.518  11.406
  536   1HG2  ILE  72          HG21      ILE  72  19.060   1.410  13.397
  537   2HG2  ILE  72          HG22      ILE  72  20.294   2.371  14.233
  538   3HG2  ILE  72          HG23      ILE  72  19.263   3.113  12.995
  539   1HD1  ILE  72          HD11      ILE  72  22.346   4.904  11.562
  540   2HD1  ILE  72          HD12      ILE  72  20.995   4.144  10.704
  541   3HD1  ILE  72          HD13      ILE  72  20.798   4.668  12.392
  542    HA   PRO  73           HA       PRO  73  19.552   0.163  10.096
  543   1HB   PRO  73          HB2       PRO  73  19.040  -1.811   8.269
  544   2HB   PRO  73          HB3       PRO  73  19.734  -0.227   7.833
  545   1HG   PRO  73          HG2       PRO  73  21.179  -2.847   8.282
  546   2HG   PRO  73          HG3       PRO  73  21.421  -1.661   6.962
  547   1HD   PRO  73          HD2       PRO  73  23.036  -1.756   9.175
  548   2HD   PRO  73          HD3       PRO  73  22.635  -0.213   8.370
  549    H    THR  74           H        THR  74  17.907  -0.756  11.241
  550    HA   THR  74           HA       THR  74  18.140  -3.620  12.031
  551    HB   THR  74           HB       THR  74  17.576  -1.257  13.861
  552    HG1  THR  74           HG1      THR  74  19.548  -1.632  14.406
  553   1HG2  THR  74          HG21      THR  74  17.137  -4.241  14.321
  554   2HG2  THR  74          HG22      THR  74  17.311  -3.066  15.638
  555   3HG2  THR  74          HG23      THR  74  15.966  -2.921  14.501
  556    H    LEU  75           H        LEU  75  16.192  -4.702  12.016
  557    HA   LEU  75           HA       LEU  75  14.013  -3.261  10.593
  558   1HB   LEU  75          HB2       LEU  75  15.021  -6.096  10.206
  559   2HB   LEU  75          HB3       LEU  75  13.650  -5.374   9.381
  560    HG   LEU  75           HG       LEU  75  16.570  -4.529   9.104
  561   1HD1  LEU  75          HD11      LEU  75  16.030  -6.698   8.049
  562   2HD1  LEU  75          HD12      LEU  75  14.708  -5.935   7.141
  563   3HD1  LEU  75          HD13      LEU  75  16.392  -5.461   6.840
  564   1HD2  LEU  75          HD21      LEU  75  15.791  -3.123   7.196
  565   2HD2  LEU  75          HD22      LEU  75  14.111  -3.416   7.695
  566   3HD2  LEU  75          HD23      LEU  75  15.231  -2.555   8.766
  567    H    LEU  76           H        LEU  76  12.071  -3.421  11.601
  568    HA   LEU  76           HA       LEU  76  11.703  -5.537  13.721
  569   1HB   LEU  76          HB2       LEU  76  10.902  -2.602  13.681
  570   2HB   LEU  76          HB3       LEU  76   9.952  -3.780  14.554
  571    HG   LEU  76           HG       LEU  76  11.517  -2.476  15.980
  572   1HD1  LEU  76          HD11      LEU  76  10.657  -4.628  16.736
  573   2HD1  LEU  76          HD12      LEU  76  11.964  -5.496  15.912
  574   3HD1  LEU  76          HD13      LEU  76  12.326  -4.424  17.279
  575   1HD2  LEU  76          HD21      LEU  76  13.866  -2.874  16.003
  576   2HD2  LEU  76          HD22      LEU  76  13.752  -4.101  14.730
  577   3HD2  LEU  76          HD23      LEU  76  13.423  -2.401  14.351
  578    H    VAL  77           H        VAL  77  10.176  -6.916  13.080
  579    HA   VAL  77           HA       VAL  77   8.391  -6.103  10.835
  580    HB   VAL  77           HB       VAL  77   8.631  -8.913  11.945
  581   1HG1  VAL  77          HG11      VAL  77   7.800  -9.475   9.676
  582   2HG1  VAL  77          HG12      VAL  77   6.704  -8.358  10.503
  583   3HG1  VAL  77          HG13      VAL  77   7.799  -7.757   9.241
  584   1HG2  VAL  77          HG21      VAL  77  10.931  -8.416  11.265
  585   2HG2  VAL  77          HG22      VAL  77  10.162  -9.477  10.089
  586   3HG2  VAL  77          HG23      VAL  77  10.360  -7.750   9.717
  587    H    LEU  78           H        LEU  78   6.390  -5.528  11.501
  588    HA   LEU  78           HA       LEU  78   5.474  -6.392  14.192
  589   1HB   LEU  78          HB2       LEU  78   4.907  -3.736  12.792
  590   2HB   LEU  78          HB3       LEU  78   4.074  -4.339  14.215
  591    HG   LEU  78           HG       LEU  78   6.601  -4.539  15.149
  592   1HD1  LEU  78          HD11      LEU  78   6.746  -2.188  13.232
  593   2HD1  LEU  78          HD12      LEU  78   7.912  -2.554  14.519
  594   3HD1  LEU  78          HD13      LEU  78   7.708  -3.665  13.162
  595   1HD2  LEU  78          HD21      LEU  78   5.061  -1.929  15.198
  596   2HD2  LEU  78          HD22      LEU  78   4.733  -3.330  16.232
  597   3HD2  LEU  78          HD23      LEU  78   6.277  -2.484  16.363
  598    H    LYS  79           H        LYS  79   3.207  -6.832  14.287
  599    HA   LYS  79           HA       LYS  79   1.793  -6.951  11.698
  600   1HB   LYS  79          HB2       LYS  79   2.745  -9.193  11.980
  601   2HB   LYS  79          HB3       LYS  79   2.005  -9.335  13.590
  602   1HG   LYS  79          HG2       LYS  79  -0.230  -9.179  12.585
  603   2HG   LYS  79          HG3       LYS  79   0.494  -8.891  10.983
  604   1HD   LYS  79          HD2       LYS  79   1.492 -11.144  11.024
  605   2HD   LYS  79          HD3       LYS  79   0.775 -11.447  12.624
  606   1HE   LYS  79          HE2       LYS  79  -1.486 -11.182  11.695
  607   2HE   LYS  79          HE3       LYS  79  -0.822 -10.722  10.122
  608   1HZ   LYS  79          HZ1       LYS  79   0.112 -12.927   9.910
  609   2HZ   LYS  79          HZ2       LYS  79  -0.488 -13.383  11.374
  610   3HZ   LYS  79          HZ3       LYS  79  -1.504 -13.030  10.147
  611    H    ASP  80           H        ASP  80   0.008  -5.851  11.989
  612    HA   ASP  80           HA       ASP  80  -1.744  -4.803  12.909
  613   1HB   ASP  80          HB2       ASP  80  -2.543  -7.125  12.768
  614   2HB   ASP  80          HB3       ASP  80  -2.046  -7.406  14.437
  615    H    GLY  81           H        GLY  81   0.663  -4.057  14.100
  616   1HA   GLY  81          HA2       GLY  81   0.864  -2.266  15.538
  617   2HA   GLY  81          HA3       GLY  81  -0.441  -2.871  16.550
  618    H    GLU  82           H        GLU  82   1.589  -5.559  16.237
  619    HA   GLU  82           HA       GLU  82   3.326  -4.686  18.495
  620   1HB   GLU  82          HB2       GLU  82   2.873  -6.685  19.640
  621   2HB   GLU  82          HB3       GLU  82   1.311  -6.018  19.139
  622   1HG   GLU  82          HG2       GLU  82   1.197  -7.656  17.287
  623   2HG   GLU  82          HG3       GLU  82   2.747  -8.342  17.775
  624    H    VAL  83           H        VAL  83   5.400  -5.739  18.620
  625    HA   VAL  83           HA       VAL  83   6.610  -6.374  16.079
  626    HB   VAL  83           HB       VAL  83   7.664  -6.894  18.880
  627   1HG1  VAL  83          HG11      VAL  83   9.888  -6.834  17.748
  628   2HG1  VAL  83          HG12      VAL  83   8.899  -8.165  17.155
  629   3HG1  VAL  83          HG13      VAL  83   9.084  -6.699  16.169
  630   1HG2  VAL  83          HG21      VAL  83   7.190  -4.484  18.583
  631   2HG2  VAL  83          HG22      VAL  83   8.926  -4.791  18.560
  632   3HG2  VAL  83          HG23      VAL  83   8.071  -4.489  17.038
  633    H    VAL  84           H        VAL  84   6.743  -8.147  15.043
  634    HA   VAL  84           HA       VAL  84   5.890 -10.679  16.314
  635    HB   VAL  84           HB       VAL  84   4.360  -9.498  14.632
  636   1HG1  VAL  84          HG11      VAL  84   4.759 -10.057  12.238
  637   2HG1  VAL  84          HG12      VAL  84   5.874  -8.860  12.890
  638   3HG1  VAL  84          HG13      VAL  84   6.412 -10.533  12.647
  639   1HG2  VAL  84          HG21      VAL  84   5.096 -12.398  14.231
  640   2HG2  VAL  84          HG22      VAL  84   3.938 -11.718  15.393
  641   3HG2  VAL  84          HG23      VAL  84   3.599 -11.604  13.661
  642    H    GLU  85           H        GLU  85   8.500  -8.978  14.521
  643    HA   GLU  85           HA       GLU  85  10.237 -11.091  15.383
  644   1HB   GLU  85          HB2       GLU  85   9.332 -12.128  13.297
  645   2HB   GLU  85          HB3       GLU  85   9.922 -10.766  12.359
  646   1HG   GLU  85          HG2       GLU  85  11.281 -12.814  12.172
  647   2HG   GLU  85          HG3       GLU  85  12.213 -11.447  12.749
  648    H    THR  86           H        THR  86  12.595 -10.538  14.699
  649    HA   THR  86           HA       THR  86  12.999  -7.667  14.057
  650    HB   THR  86           HB       THR  86  14.408  -9.137  16.324
  651    HG1  THR  86           HG1      THR  86  12.238  -8.804  16.850
  652   1HG2  THR  86          HG21      THR  86  15.030  -6.810  17.044
  653   2HG2  THR  86          HG22      THR  86  15.747  -7.279  15.500
  654   3HG2  THR  86          HG23      THR  86  14.340  -6.196  15.526
  655    H    SER  87           H        SER  87  15.047  -7.285  13.015
  656    HA   SER  87           HA       SER  87  17.019  -9.430  12.780
  657   1HB   SER  87          HB2       SER  87  15.591  -8.236  10.363
  658   2HB   SER  87          HB3       SER  87  17.147  -9.080  10.267
  659    HG   SER  87           HG       SER  87  15.085 -10.350  11.647
  660    H    VAL  88           H        VAL  88  19.113  -8.508  12.022
  661    HA   VAL  88           HA       VAL  88  19.290  -5.544  12.177
  662    HB   VAL  88           HB       VAL  88  21.063  -7.505  13.675
  663   1HG1  VAL  88          HG11      VAL  88  20.993  -4.456  13.677
  664   2HG1  VAL  88          HG12      VAL  88  21.967  -5.453  14.778
  665   3HG1  VAL  88          HG13      VAL  88  22.297  -5.485  13.047
  666   1HG2  VAL  88          HG21      VAL  88  18.932  -5.634  14.783
  667   2HG2  VAL  88          HG22      VAL  88  18.893  -7.413  14.816
  668   3HG2  VAL  88          HG23      VAL  88  20.103  -6.545  15.756
  669    H    GLY  89           H        GLY  89  20.895  -4.687  10.833
  670   1HA   GLY  89          HA2       GLY  89  22.651  -4.647   9.341
  671   2HA   GLY  89          HA3       GLY  89  22.903  -6.381   9.556
  672    H    PHE  90           H        PHE  90  23.223  -5.933   7.120
  673    HA   PHE  90           HA       PHE  90  20.979  -5.522   5.402
  674   1HB   PHE  90          HB2       PHE  90  23.367  -5.195   4.775
  675   2HB   PHE  90          HB3       PHE  90  23.636  -6.928   4.898
  676    HD1  PHE  90           HD1      PHE  90  22.151  -4.214   2.890
  677    HD2  PHE  90           HD2      PHE  90  22.773  -8.475   3.163
  678    HE1  PHE  90           HE1      PHE  90  21.439  -4.476   0.522
  679    HE2  PHE  90           HE2      PHE  90  22.072  -8.727   0.798
  680    HZ   PHE  90           HZ       PHE  90  21.390  -6.730  -0.523
  681    H    LYS  91           H        LYS  91  19.781  -7.061   4.181
  682    HA   LYS  91           HA       LYS  91  20.200  -9.921   4.566
  683   1HB   LYS  91          HB2       LYS  91  17.802  -8.508   5.635
  684   2HB   LYS  91          HB3       LYS  91  17.456  -9.870   4.561
  685   1HG   LYS  91          HG2       LYS  91  18.933 -11.342   5.869
  686   2HG   LYS  91          HG3       LYS  91  19.280 -10.008   6.997
  687   1HD   LYS  91          HD2       LYS  91  16.883  -9.898   7.590
  688   2HD   LYS  91          HD3       LYS  91  16.548 -11.221   6.440
  689   1HE   LYS  91          HE2       LYS  91  18.098 -12.705   7.710
  690   2HE   LYS  91          HE3       LYS  91  18.413 -11.401   8.859
  691   1HZ   LYS  91          HZ1       LYS  91  16.773 -12.968   9.683
  692   2HZ   LYS  91          HZ2       LYS  91  16.097 -11.495   9.541
  693   3HZ   LYS  91          HZ3       LYS  91  15.770 -12.675   8.434
  694    HA   PRO  92           HA       PRO  92  19.526  -9.200   0.219
  695   1HB   PRO  92          HB2       PRO  92  19.053 -11.777  -0.696
  696   2HB   PRO  92          HB3       PRO  92  20.677 -11.108  -0.321
  697   1HG   PRO  92          HG2       PRO  92  18.917 -12.852   1.395
  698   2HG   PRO  92          HG3       PRO  92  20.685 -12.962   1.150
  699   1HD   PRO  92          HD2       PRO  92  19.585 -11.779   3.361
  700   2HD   PRO  92          HD3       PRO  92  21.099 -11.176   2.628
  701    H    LYS  93           H        LYS  93  17.902  -9.323  -1.374
  702    HA   LYS  93           HA       LYS  93  15.358  -8.579  -0.673
  703   1HB   LYS  93          HB2       LYS  93  16.578  -8.330  -2.858
  704   2HB   LYS  93          HB3       LYS  93  16.317 -10.036  -3.186
  705   1HG   LYS  93          HG2       LYS  93  13.932  -9.733  -3.270
  706   2HG   LYS  93          HG3       LYS  93  14.054  -8.042  -2.749
  707   1HD   LYS  93          HD2       LYS  93  15.035  -7.348  -4.741
  708   2HD   LYS  93          HD3       LYS  93  15.554  -8.973  -5.232
  709   1HE   LYS  93          HE2       LYS  93  12.627  -8.368  -4.825
  710   2HE   LYS  93          HE3       LYS  93  13.403  -7.946  -6.365
  711   1HZ   LYS  93          HZ1       LYS  93  12.287 -10.151  -6.271
  712   2HZ   LYS  93          HZ2       LYS  93  13.851 -10.214  -6.770
  713   3HZ   LYS  93          HZ3       LYS  93  13.465 -10.707  -5.256
  714    H    GLU  94           H        GLU  94  16.340 -11.859  -1.690
  715    HA   GLU  94           HA       GLU  94  13.693 -12.902  -1.448
  716   1HB   GLU  94          HB2       GLU  94  16.332 -14.398  -1.552
  717   2HB   GLU  94          HB3       GLU  94  14.730 -15.083  -1.843
  718   1HG   GLU  94          HG2       GLU  94  16.154 -12.973  -3.532
  719   2HG   GLU  94          HG3       GLU  94  15.867 -14.647  -3.965
  720    H    ALA  95           H        ALA  95  16.435 -12.761   0.870
  721    HA   ALA  95           HA       ALA  95  15.174 -14.406   2.850
  722   1HB   ALA  95          HB1       ALA  95  16.769 -13.382   4.430
  723   2HB   ALA  95          HB2       ALA  95  17.584 -13.929   2.957
  724   3HB   ALA  95          HB3       ALA  95  17.240 -12.194   3.211
  725    H    LEU  96           H        LEU  96  15.058 -10.915   2.087
  726    HA   LEU  96           HA       LEU  96  13.467 -10.164   4.319
  727   1HB   LEU  96          HB2       LEU  96  13.667  -8.986   1.536
  728   2HB   LEU  96          HB3       LEU  96  12.761  -8.246   2.847
  729    HG   LEU  96           HG       LEU  96  15.752  -8.804   3.009
  730   1HD1  LEU  96          HD11      LEU  96  14.336  -6.195   2.335
  731   2HD1  LEU  96          HD12      LEU  96  16.089  -6.446   2.510
  732   3HD1  LEU  96          HD13      LEU  96  15.221  -7.224   1.191
  733   1HD2  LEU  96          HD21      LEU  96  13.914  -7.082   4.725
  734   2HD2  LEU  96          HD22      LEU  96  14.705  -8.597   5.217
  735   3HD2  LEU  96          HD23      LEU  96  15.682  -7.173   4.870
  736    H    GLN  97           H        GLN  97  12.485 -11.178   1.003
  737    HA   GLN  97           HA       GLN  97   9.693 -11.067   1.543
  738   1HB   GLN  97          HB2       GLN  97  11.399 -12.747  -0.326
  739   2HB   GLN  97          HB3       GLN  97   9.695 -13.142  -0.159
  740   1HG   GLN  97          HG2       GLN  97   8.935 -11.224  -1.157
  741   2HG   GLN  97          HG3       GLN  97  10.386 -10.288  -0.732
  742   1HE2  GLN  97          HE22      GLN  97  12.415 -10.813  -1.806
  743   2HE2  GLN  97          HE21      GLN  97  12.444 -11.565  -3.391
  744    H    GLU  98           H        GLU  98  12.051 -13.678   2.172
  745    HA   GLU  98           HA       GLU  98  10.088 -15.534   3.084
  746   1HB   GLU  98          HB2       GLU  98  13.076 -15.305   3.550
  747   2HB   GLU  98          HB3       GLU  98  12.131 -16.576   4.314
  748   1HG   GLU  98          HG2       GLU  98  12.175 -16.128   1.300
  749   2HG   GLU  98          HG3       GLU  98  13.270 -17.212   2.148
  750    H    LEU  99           H        LEU  99  11.953 -13.036   4.829
  751    HA   LEU  99           HA       LEU  99  11.079 -13.657   7.436
  752   1HB   LEU  99          HB2       LEU  99  13.000 -12.255   6.927
  753   2HB   LEU  99          HB3       LEU  99  11.995 -11.106   6.053
  754    HG   LEU  99           HG       LEU  99  10.831 -10.484   8.095
  755   1HD1  LEU  99          HD11      LEU  99  11.829 -11.210  10.307
  756   2HD1  LEU  99          HD12      LEU  99  11.001 -12.511   9.442
  757   3HD1  LEU  99          HD13      LEU  99  12.777 -12.429   9.426
  758   1HD2  LEU  99          HD21      LEU  99  12.733  -9.255   9.111
  759   2HD2  LEU  99          HD22      LEU  99  13.870 -10.326   8.263
  760   3HD2  LEU  99          HD23      LEU  99  12.809  -9.244   7.339
  761    H    VAL 100           H        VAL 100   9.655 -11.456   4.915
  762    HA   VAL 100           HA       VAL 100   7.402 -10.674   6.468
  763    HB   VAL 100           HB       VAL 100   7.735 -10.998   3.462
  764   1HG1  VAL 100          HG11      VAL 100   5.886  -9.315   3.279
  765   2HG1  VAL 100          HG12      VAL 100   5.361 -10.865   3.934
  766   3HG1  VAL 100          HG13      VAL 100   5.604  -9.486   5.025
  767   1HG2  VAL 100          HG21      VAL 100   9.306  -9.325   4.667
  768   2HG2  VAL 100          HG22      VAL 100   8.371  -8.757   3.301
  769   3HG2  VAL 100          HG23      VAL 100   7.854  -8.367   4.970
  770    H    ASN 101           H        ASN 101   7.987 -13.435   4.304
  771    HA   ASN 101           HA       ASN 101   5.383 -14.440   4.159
  772   1HB   ASN 101          HB2       ASN 101   7.443 -15.064   2.757
  773   2HB   ASN 101          HB3       ASN 101   7.874 -16.176   4.059
  774   1HD2  ASN 101          HD22      ASN 101   5.663 -15.505   1.408
  775   2HD2  ASN 101          HD21      ASN 101   4.832 -17.037   1.443
  776    H    LYS 102           H        LYS 102   7.778 -14.872   6.730
  777    HA   LYS 102           HA       LYS 102   6.645 -17.065   8.118
  778   1HB   LYS 102          HB2       LYS 102   7.933 -14.550   9.258
  779   2HB   LYS 102          HB3       LYS 102   7.604 -16.016  10.171
  780   1HG   LYS 102          HG2       LYS 102   9.155 -17.269   8.652
  781   2HG   LYS 102          HG3       LYS 102   9.564 -15.723   7.877
  782   1HD   LYS 102          HD2       LYS 102  10.288 -14.806  10.064
  783   2HD   LYS 102          HD3       LYS 102   9.969 -16.364  10.828
  784   1HE   LYS 102          HE2       LYS 102  11.945 -15.899   8.542
  785   2HE   LYS 102          HE3       LYS 102  12.382 -15.945  10.251
  786   1HZ   LYS 102          HZ1       LYS 102  12.777 -18.071   9.217
  787   2HZ   LYS 102          HZ2       LYS 102  11.606 -18.243  10.332
  788   3HZ   LYS 102          HZ3       LYS 102  11.228 -18.218   8.739
  789    H    HIS 103           H        HIS 103   5.374 -13.797   7.749
  790    HA   HIS 103           HA       HIS 103   3.455 -14.269   9.988
  791   1HB   HIS 103          HB2       HIS 103   4.576 -11.637   8.979
  792   2HB   HIS 103          HB3       HIS 103   3.605 -11.902  10.429
  793    HD1  HIS 103           HD1      HIS 103   4.983 -13.809  12.216
  794    HD2  HIS 103           HD2      HIS 103   7.131 -11.587   9.363
  795    HE1  HIS 103           HE1      HIS 103   7.422 -13.863  12.949
  796    H    LEU 104           H        LEU 104   3.559 -13.905   6.588
  797    HA   LEU 104           HA       LEU 104   1.111 -12.503   6.146
  798   1HB   LEU 104          HB2       LEU 104   2.417 -14.746   4.550
  799   2HB   LEU 104          HB3       LEU 104   1.013 -13.835   4.020
  800    HG   LEU 104           HG       LEU 104   3.795 -12.696   4.485
  801   1HD1  LEU 104          HD11      LEU 104   3.554 -14.099   2.460
  802   2HD1  LEU 104          HD12      LEU 104   2.184 -13.101   1.931
  803   3HD1  LEU 104          HD13      LEU 104   3.807 -12.394   2.052
  804   1HD2  LEU 104          HD21      LEU 104   1.234 -11.311   3.589
  805   2HD2  LEU 104          HD22      LEU 104   2.208 -10.942   5.031
  806   3HD2  LEU 104          HD23      LEU 104   2.860 -10.612   3.429
  Start of MODEL   11
    1   1H    MET   1          H1        MET   1  -0.022   0.208  -2.296
    2   2H    MET   1          H2        MET   1   0.306  -1.300  -1.745
    3   3H    MET   1          H3        MET   1  -1.068  -0.528  -1.264
    4    HA   MET   1           HA       MET   1   0.189   1.115  -0.091
    5   1HB   MET   1          HB2       MET   1  -0.502  -0.999   1.048
    6   2HB   MET   1          HB3       MET   1   1.059  -1.710   0.661
    7   1HG   MET   1          HG2       MET   1   0.878  -0.889   2.976
    8   2HG   MET   1          HG3       MET   1   2.209  -0.170   2.089
    9   1HE   MET   1          HE1       MET   1  -1.720   0.747   2.231
   10   2HE   MET   1          HE2       MET   1  -1.197   0.352   3.884
   11   3HE   MET   1          HE3       MET   1  -1.643   2.020   3.464
   12    H    ALA   2           H        ALA   2   2.477   1.591   0.877
   13    HA   ALA   2           HA       ALA   2   4.634   1.125  -1.088
   14   1HB   ALA   2          HB1       ALA   2   3.574   3.882  -0.326
   15   2HB   ALA   2          HB2       ALA   2   4.968   3.543  -1.373
   16   3HB   ALA   2          HB3       ALA   2   3.342   3.092  -1.905
   17    H    ILE   3           H        ILE   3   6.611   2.578  -0.220
   18    HA   ILE   3           HA       ILE   3   7.108   1.949   2.582
   19    HB   ILE   3           HB       ILE   3   8.620   3.641   0.554
   20   1HG1  ILE   3          HG12      ILE   3   9.769   1.020   1.452
   21   2HG1  ILE   3          HG13      ILE   3   8.340   0.881   0.447
   22   1HG2  ILE   3          HG21      ILE   3   9.346   4.321   2.790
   23   2HG2  ILE   3          HG22      ILE   3   9.555   2.629   3.279
   24   3HG2  ILE   3          HG23      ILE   3  10.615   3.350   2.050
   25   1HD1  ILE   3          HD11      ILE   3  10.811   2.486  -0.305
   26   2HD1  ILE   3          HD12      ILE   3  10.395   0.863  -0.889
   27   3HD1  ILE   3          HD13      ILE   3   9.347   2.242  -1.299
   28    H    VAL   4           H        VAL   4   7.220   3.478   4.252
   29    HA   VAL   4           HA       VAL   4   6.025   6.173   3.850
   30    HB   VAL   4           HB       VAL   4   5.395   4.202   6.085
   31   1HG1  VAL   4          HG11      VAL   4   3.443   5.677   6.547
   32   2HG1  VAL   4          HG12      VAL   4   4.975   6.469   6.822
   33   3HG1  VAL   4          HG13      VAL   4   4.053   6.829   5.339
   34   1HG2  VAL   4          HG21      VAL   4   4.394   3.233   4.097
   35   2HG2  VAL   4          HG22      VAL   4   3.108   3.974   5.037
   36   3HG2  VAL   4          HG23      VAL   4   3.734   4.809   3.601
   37    H    LYS   5           H        LYS   5   6.580   7.554   5.800
   38    HA   LYS   5           HA       LYS   5   9.060   6.717   7.210
   39   1HB   LYS   5          HB2       LYS   5   8.503   9.369   5.853
   40   2HB   LYS   5          HB3       LYS   5   9.195   9.395   7.461
   41   1HG   LYS   5          HG2       LYS   5  11.136   9.393   6.416
   42   2HG   LYS   5          HG3       LYS   5  10.938   7.658   6.454
   43   1HD   LYS   5          HD2       LYS   5  10.405   9.561   4.134
   44   2HD   LYS   5          HD3       LYS   5  11.730   8.399   4.277
   45   1HE   LYS   5          HE2       LYS   5  10.041   6.534   4.253
   46   2HE   LYS   5          HE3       LYS   5   8.771   7.738   4.024
   47   1HZ   LYS   5          HZ1       LYS   5   9.437   6.826   1.888
   48   2HZ   LYS   5          HZ2       LYS   5   9.823   8.403   1.940
   49   3HZ   LYS   5          HZ3       LYS   5  10.992   7.278   2.108
   50    H    ALA   6           H        ALA   6   8.824   7.002   9.478
   51    HA   ALA   6           HA       ALA   6   6.384   8.393  10.455
   52   1HB   ALA   6          HB1       ALA   6   7.149   5.536  11.194
   53   2HB   ALA   6          HB2       ALA   6   5.795   6.464  11.868
   54   3HB   ALA   6          HB3       ALA   6   5.774   6.000  10.160
   55    H    THR   7           H        THR   7   6.393   8.497  12.860
   56    HA   THR   7           HA       THR   7   9.053   8.549  14.132
   57    HB   THR   7           HB       THR   7   8.198  10.647  15.306
   58    HG1  THR   7           HG1      THR   7   6.637  11.851  14.212
   59   1HG2  THR   7          HG21      THR   7   8.735  10.940  12.306
   60   2HG2  THR   7          HG22      THR   7   8.957  12.196  13.546
   61   3HG2  THR   7          HG23      THR   7   9.975  10.752  13.561
   62    H    ASP   8           H        ASP   8   8.707   8.678  16.556
   63    HA   ASP   8           HA       ASP   8   7.244   6.578  17.497
   64   1HB   ASP   8          HB2       ASP   8   9.077   7.887  18.672
   65   2HB   ASP   8          HB3       ASP   8   7.867   9.089  19.098
   66    H    GLN   9           H        GLN   9   6.075   9.833  16.983
   67    HA   GLN   9           HA       GLN   9   3.739   9.851  18.570
   68   1HB   GLN   9          HB2       GLN   9   4.351  11.235  15.923
   69   2HB   GLN   9          HB3       GLN   9   3.012  11.651  16.999
   70   1HG   GLN   9          HG2       GLN   9   4.630  12.220  18.805
   71   2HG   GLN   9          HG3       GLN   9   5.974  11.867  17.714
   72   1HE2  GLN   9          HE22      GLN   9   3.418  14.191  18.492
   73   2HE2  GLN   9          HE21      GLN   9   3.941  15.429  17.379
   74    H    SER  10           H        SER  10   4.355   8.377  15.419
   75    HA   SER  10           HA       SER  10   1.483   7.558  15.206
   76   1HB   SER  10          HB2       SER  10   3.240   8.578  12.943
   77   2HB   SER  10          HB3       SER  10   1.523   8.148  12.856
   78    HG   SER  10           HG       SER  10   1.849  10.410  13.042
   79    H    PHE  11           H        PHE  11   4.723   6.462  15.194
   80    HA   PHE  11           HA       PHE  11   4.834   4.509  13.271
   81   1HB   PHE  11          HB2       PHE  11   6.661   5.182  14.790
   82   2HB   PHE  11          HB3       PHE  11   5.859   4.391  16.139
   83    HD1  PHE  11           HD1      PHE  11   7.582   3.864  12.884
   84    HD2  PHE  11           HD2      PHE  11   6.045   1.979  16.449
   85    HE1  PHE  11           HE1      PHE  11   8.803   1.796  12.315
   86    HE2  PHE  11           HE2      PHE  11   7.259  -0.102  15.860
   87    HZ   PHE  11           HZ       PHE  11   8.654  -0.198  13.821
   88    H    SER  12           H        SER  12   3.327   4.129  16.546
   89    HA   SER  12           HA       SER  12   2.635   1.431  16.253
   90   1HB   SER  12          HB2       SER  12   1.080   3.529  17.804
   91   2HB   SER  12          HB3       SER  12   1.208   1.795  18.155
   92    HG   SER  12           HG       SER  12   2.592   3.110  19.463
   93    H    ALA  13           H        ALA  13   0.877   4.352  15.208
   94    HA   ALA  13           HA       ALA  13  -1.529   2.971  14.487
   95   1HB   ALA  13          HB1       ALA  13  -2.114   5.045  13.309
   96   2HB   ALA  13          HB2       ALA  13  -1.490   5.407  14.931
   97   3HB   ALA  13          HB3       ALA  13  -0.460   5.653  13.500
   98    H    GLU  14           H        GLU  14   1.410   3.986  12.722
   99    HA   GLU  14           HA       GLU  14   0.511   3.084  10.179
  100   1HB   GLU  14          HB2       GLU  14   3.327   3.499  11.280
  101   2HB   GLU  14          HB3       GLU  14   3.015   3.013   9.619
  102   1HG   GLU  14          HG2       GLU  14   2.138   5.608  10.931
  103   2HG   GLU  14          HG3       GLU  14   3.396   5.399   9.711
  104    H    THR  15           H        THR  15   2.378   1.406  12.747
  105    HA   THR  15           HA       THR  15   2.656  -0.983  11.193
  106    HB   THR  15           HB       THR  15   3.616  -1.869  13.332
  107    HG1  THR  15           HG1      THR  15   3.441   0.811  14.202
  108   1HG2  THR  15          HG21      THR  15   5.615  -0.356  13.285
  109   2HG2  THR  15          HG22      THR  15   5.118  -0.929  11.691
  110   3HG2  THR  15          HG23      THR  15   4.743   0.731  12.195
  111    H    SER  16           H        SER  16  -0.074   0.174  12.756
  112    HA   SER  16           HA       SER  16  -0.980  -2.363  13.747
  113   1HB   SER  16          HB2       SER  16  -2.431   0.223  13.096
  114   2HB   SER  16          HB3       SER  16  -3.206  -1.171  13.863
  115    HG   SER  16           HG       SER  16  -0.964   0.264  14.912
  116    H    GLU  17           H        GLU  17  -0.886  -0.998  10.567
  117    HA   GLU  17           HA       GLU  17  -3.268  -2.437   9.698
  118   1HB   GLU  17          HB2       GLU  17  -1.347  -0.648   8.161
  119   2HB   GLU  17          HB3       GLU  17  -2.832  -1.363   7.505
  120   1HG   GLU  17          HG2       GLU  17  -4.116  -0.238   9.378
  121   2HG   GLU  17          HG3       GLU  17  -2.636   0.632   9.795
  122    H    GLY  18           H        GLY  18  -2.200  -4.529  10.434
  123   1HA   GLY  18          HA2       GLY  18  -2.018  -6.661   9.496
  124   2HA   GLY  18          HA3       GLY  18  -1.565  -5.951   7.940
  125    H    VAL  19           H        VAL  19   0.259  -7.300   7.702
  126    HA   VAL  19           HA       VAL  19   2.456  -7.173   9.644
  127    HB   VAL  19           HB       VAL  19   2.455  -8.213   6.780
  128   1HG1  VAL  19          HG11      VAL  19   4.758  -7.546   7.479
  129   2HG1  VAL  19          HG12      VAL  19   4.560  -8.460   8.984
  130   3HG1  VAL  19          HG13      VAL  19   4.608  -9.302   7.423
  131   1HG2  VAL  19          HG21      VAL  19   1.047  -9.609   8.259
  132   2HG2  VAL  19          HG22      VAL  19   2.553 -10.448   7.873
  133   3HG2  VAL  19          HG23      VAL  19   2.358  -9.684   9.461
  134    H    VAL  20           H        VAL  20   4.103  -5.740   9.569
  135    HA   VAL  20           HA       VAL  20   4.361  -3.821   7.342
  136    HB   VAL  20           HB       VAL  20   4.075  -3.095  10.300
  137   1HG1  VAL  20          HG11      VAL  20   4.143  -0.722   9.444
  138   2HG1  VAL  20          HG12      VAL  20   5.670  -1.581   9.249
  139   3HG1  VAL  20          HG13      VAL  20   4.601  -1.354   7.853
  140   1HG2  VAL  20          HG21      VAL  20   2.045  -1.738   9.351
  141   2HG2  VAL  20          HG22      VAL  20   2.189  -2.754   7.925
  142   3HG2  VAL  20          HG23      VAL  20   1.856  -3.483   9.505
  143    H    LEU  21           H        LEU  21   6.563  -3.140   7.159
  144    HA   LEU  21           HA       LEU  21   8.501  -4.603   8.912
  145   1HB   LEU  21          HB2       LEU  21   8.060  -5.629   6.685
  146   2HB   LEU  21          HB3       LEU  21   8.717  -4.175   5.916
  147    HG   LEU  21           HG       LEU  21  10.169  -6.079   7.807
  148   1HD1  LEU  21          HD11      LEU  21  11.385  -6.817   5.842
  149   2HD1  LEU  21          HD12      LEU  21   9.655  -6.998   5.560
  150   3HD1  LEU  21          HD13      LEU  21  10.523  -5.640   4.815
  151   1HD2  LEU  21          HD21      LEU  21  11.293  -4.015   8.141
  152   2HD2  LEU  21          HD22      LEU  21  12.269  -4.900   6.979
  153   3HD2  LEU  21          HD23      LEU  21  11.216  -3.594   6.407
  154    H    ALA  22           H        ALA  22   9.244  -3.039  10.189
  155    HA   ALA  22           HA       ALA  22   9.472  -0.289   9.224
  156   1HB   ALA  22          HB1       ALA  22  10.005  -1.603  11.908
  157   2HB   ALA  22          HB2       ALA  22  10.157   0.136  11.585
  158   3HB   ALA  22          HB3       ALA  22   8.564  -0.655  11.455
  159    H    ASP  23           H        ASP  23  11.457   0.802   9.155
  160    HA   ASP  23           HA       ASP  23  13.975  -0.818   9.140
  161   1HB   ASP  23          HB2       ASP  23  13.463  -0.503   6.847
  162   2HB   ASP  23          HB3       ASP  23  12.914   1.149   7.105
  163    H    PHE  24           H        PHE  24  14.722  -0.125  11.070
  164    HA   PHE  24           HA       PHE  24  14.630   2.667  11.961
  165   1HB   PHE  24          HB2       PHE  24  15.836   0.111  13.101
  166   2HB   PHE  24          HB3       PHE  24  16.106   1.701  13.794
  167    HD1  PHE  24           HD1      PHE  24  13.282  -0.598  12.767
  168    HD2  PHE  24           HD2      PHE  24  14.591   2.573  15.381
  169    HE1  PHE  24           HE1      PHE  24  11.067  -0.580  13.877
  170    HE2  PHE  24           HE2      PHE  24  12.375   2.589  16.468
  171    HZ   PHE  24           HZ       PHE  24  10.581   1.060  15.666
  172    H    TRP  25           H        TRP  25  15.988   4.081  11.119
  173    HA   TRP  25           HA       TRP  25  18.700   3.382  10.347
  174   1HB   TRP  25          HB2       TRP  25  18.372   3.275   8.150
  175   2HB   TRP  25          HB3       TRP  25  16.660   3.216   8.428
  176    HD1  TRP  25           HD1      TRP  25  19.300   5.278   6.805
  177    HE1  TRP  25           HE1      TRP  25  18.264   7.339   5.699
  178    HE3  TRP  25           HE3      TRP  25  14.780   5.263   9.148
  179    HZ2  TRP  25           HZ2      TRP  25  15.879   8.946   5.985
  180    HZ3  TRP  25           HZ3      TRP  25  13.172   7.152   8.807
  181    HH2  TRP  25           HH2      TRP  25  13.716   8.980   7.224
  182    H    ALA  26           H        ALA  26  19.547   5.695   9.220
  183    HA   ALA  26           HA       ALA  26  18.204   8.026  10.170
  184   1HB   ALA  26          HB1       ALA  26  20.933   7.337  11.348
  185   2HB   ALA  26          HB2       ALA  26  20.164   8.945  11.433
  186   3HB   ALA  26          HB3       ALA  26  19.420   7.573  12.257
  187    HA   PRO  27           HA       PRO  27  20.213   9.130   6.387
  188   1HB   PRO  27          HB2       PRO  27  20.536  11.932   7.422
  189   2HB   PRO  27          HB3       PRO  27  19.848  11.352   5.865
  190   1HG   PRO  27          HG2       PRO  27  18.219  12.154   7.911
  191   2HG   PRO  27          HG3       PRO  27  17.808  10.722   6.914
  192   1HD   PRO  27          HD2       PRO  27  19.065  10.790   9.664
  193   2HD   PRO  27          HD3       PRO  27  17.778   9.726   9.017
  194    H    TRP  28           H        TRP  28  22.015   9.734   9.366
  195    HA   TRP  28           HA       TRP  28  24.478  10.407   8.008
  196   1HB   TRP  28          HB2       TRP  28  25.566  10.063  10.119
  197   2HB   TRP  28          HB3       TRP  28  24.107  11.000  10.355
  198    HD1  TRP  28           HD1      TRP  28  22.315  10.049  11.972
  199    HE1  TRP  28           HE1      TRP  28  22.219   8.117  13.631
  200    HE3  TRP  28           HE3      TRP  28  26.441   7.441  10.407
  201    HZ2  TRP  28           HZ2      TRP  28  23.661   5.653  14.131
  202    HZ3  TRP  28           HZ3      TRP  28  27.028   5.284  11.468
  203    HH2  TRP  28           HH2      TRP  28  25.644   4.375  13.324
  204    H    CYS  29           H        CYS  29  22.720   7.471   8.418
  205    HA   CYS  29           HA       CYS  29  24.734   5.566   8.800
  206   1HB   CYS  29          HB2       CYS  29  22.194   5.366   9.020
  207   2HB   CYS  29          HB3       CYS  29  22.129   5.308   7.286
  208    H    GLY  30           H        GLY  30  25.764   4.112   7.341
  209   1HA   GLY  30          HA2       GLY  30  26.034   5.014   4.509
  210   2HA   GLY  30          HA3       GLY  30  27.165   3.989   5.393
  211    HA   PRO  31           HA       PRO  31  25.282   0.274   3.993
  212   1HB   PRO  31          HB2       PRO  31  24.368  -0.467   6.775
  213   2HB   PRO  31          HB3       PRO  31  25.219  -1.475   5.566
  214   1HG   PRO  31          HG2       PRO  31  26.600  -0.357   7.607
  215   2HG   PRO  31          HG3       PRO  31  27.277  -0.320   5.947
  216   1HD   PRO  31          HD2       PRO  31  25.846   1.881   7.442
  217   2HD   PRO  31          HD3       PRO  31  27.315   1.973   6.425
  218    H    CYS  32           H        CYS  32  23.106   2.087   6.192
  219    HA   CYS  32           HA       CYS  32  20.650   0.952   5.459
  220   1HB   CYS  32          HB2       CYS  32  21.122   3.894   5.939
  221   2HB   CYS  32          HB3       CYS  32  19.624   2.998   6.107
  222    H    LYS  33           H        LYS  33  22.714   3.255   3.661
  223    HA   LYS  33           HA       LYS  33  20.712   4.021   1.748
  224   1HB   LYS  33          HB2       LYS  33  23.737   4.094   1.425
  225   2HB   LYS  33          HB3       LYS  33  22.560   5.058   0.548
  226   1HG   LYS  33          HG2       LYS  33  23.118   5.281   3.543
  227   2HG   LYS  33          HG3       LYS  33  23.822   6.301   2.296
  228   1HD   LYS  33          HD2       LYS  33  21.686   7.282   1.750
  229   2HD   LYS  33          HD3       LYS  33  20.811   6.106   2.734
  230   1HE   LYS  33          HE2       LYS  33  21.008   8.355   3.824
  231   2HE   LYS  33          HE3       LYS  33  21.640   7.015   4.789
  232   1HZ   LYS  33          HZ1       LYS  33  23.829   7.655   4.322
  233   2HZ   LYS  33          HZ2       LYS  33  23.390   8.761   3.159
  234   3HZ   LYS  33          HZ3       LYS  33  23.051   9.015   4.747
  235    H    MET  34           H        MET  34  22.976   1.280   2.000
  236    HA   MET  34           HA       MET  34  22.628   0.636  -0.803
  237   1HB   MET  34          HB2       MET  34  24.385  -0.751  -0.632
  238   2HB   MET  34          HB3       MET  34  24.744   0.366   0.680
  239   1HG   MET  34          HG2       MET  34  23.661  -1.396   2.227
  240   2HG   MET  34          HG3       MET  34  23.741  -2.482   0.842
  241   1HE   MET  34          HE1       MET  34  26.581  -3.621   3.375
  242   2HE   MET  34          HE2       MET  34  24.961  -2.967   3.712
  243   3HE   MET  34          HE3       MET  34  25.185  -4.178   2.427
  244    H    ILE  35           H        ILE  35  21.304  -0.480   2.294
  245    HA   ILE  35           HA       ILE  35  19.758  -2.553   0.981
  246    HB   ILE  35           HB       ILE  35  20.432  -2.806   3.301
  247   1HG1  ILE  35          HG12      ILE  35  17.402  -2.805   3.118
  248   2HG1  ILE  35          HG13      ILE  35  18.441  -3.994   2.320
  249   1HG2  ILE  35          HG21      ILE  35  19.337  -1.593   5.123
  250   2HG2  ILE  35          HG22      ILE  35  20.222  -0.521   4.050
  251   3HG2  ILE  35          HG23      ILE  35  18.444  -0.602   3.945
  252   1HD1  ILE  35          HD11      ILE  35  18.261  -3.544   5.319
  253   2HD1  ILE  35          HD12      ILE  35  17.582  -4.895   4.395
  254   3HD1  ILE  35          HD13      ILE  35  19.340  -4.700   4.497
  255    H    ALA  36           H        ALA  36  19.287   0.933   1.431
  256    HA   ALA  36           HA       ALA  36  16.555   1.113   1.293
  257   1HB   ALA  36          HB1       ALA  36  18.018   3.051   1.539
  258   2HB   ALA  36          HB2       ALA  36  18.521   2.921  -0.160
  259   3HB   ALA  36          HB3       ALA  36  16.838   3.300   0.239
  260    HA   PRO  37           HA       PRO  37  16.237   0.580  -3.429
  261   1HB   PRO  37          HB2       PRO  37  18.201  -0.789  -4.817
  262   2HB   PRO  37          HB3       PRO  37  18.104   0.994  -4.680
  263   1HG   PRO  37          HG2       PRO  37  19.756  -0.918  -3.009
  264   2HG   PRO  37          HG3       PRO  37  20.279   0.614  -3.781
  265   1HD   PRO  37          HD2       PRO  37  19.611   0.549  -1.175
  266   2HD   PRO  37          HD3       PRO  37  19.103   1.922  -2.191
  267    H    VAL  38           H        VAL  38  17.830  -1.856  -1.400
  268    HA   VAL  38           HA       VAL  38  16.521  -4.115  -2.593
  269    HB   VAL  38           HB       VAL  38  17.705  -3.847   0.196
  270   1HG1  VAL  38          HG11      VAL  38  16.305  -5.843  -0.032
  271   2HG1  VAL  38          HG12      VAL  38  17.213  -6.311  -1.498
  272   3HG1  VAL  38          HG13      VAL  38  18.011  -6.267   0.093
  273   1HG2  VAL  38          HG21      VAL  38  19.022  -4.738  -2.405
  274   2HG2  VAL  38          HG22      VAL  38  19.437  -3.288  -1.468
  275   3HG2  VAL  38          HG23      VAL  38  19.740  -4.884  -0.788
  276    H    LEU  39           H        LEU  39  15.725  -1.864   0.145
  277    HA   LEU  39           HA       LEU  39  13.227  -3.085   0.772
  278   1HB   LEU  39          HB2       LEU  39  14.088  -0.176   1.037
  279   2HB   LEU  39          HB3       LEU  39  12.603  -0.841   1.690
  280    HG   LEU  39           HG       LEU  39  15.398  -1.714   2.509
  281   1HD1  LEU  39          HD11      LEU  39  14.853   0.591   3.213
  282   2HD1  LEU  39          HD12      LEU  39  13.357   0.011   3.976
  283   3HD1  LEU  39          HD13      LEU  39  14.943  -0.510   4.592
  284   1HD2  LEU  39          HD21      LEU  39  12.663  -2.472   3.634
  285   2HD2  LEU  39          HD22      LEU  39  13.812  -3.555   2.816
  286   3HD2  LEU  39          HD23      LEU  39  14.225  -2.863   4.385
  287    H    GLU  40           H        GLU  40  14.091  -0.578  -1.693
  288    HA   GLU  40           HA       GLU  40  11.396  -0.220  -2.543
  289   1HB   GLU  40          HB2       GLU  40  14.002   0.127  -4.067
  290   2HB   GLU  40          HB3       GLU  40  12.413   0.530  -4.721
  291   1HG   GLU  40          HG2       GLU  40  12.017   2.095  -2.836
  292   2HG   GLU  40          HG3       GLU  40  13.625   1.748  -2.205
  293    H    GLU  41           H        GLU  41  13.853  -2.630  -3.587
  294    HA   GLU  41           HA       GLU  41  12.146  -3.873  -5.511
  295   1HB   GLU  41          HB2       GLU  41  14.513  -4.927  -3.926
  296   2HB   GLU  41          HB3       GLU  41  13.616  -5.903  -5.097
  297   1HG   GLU  41          HG2       GLU  41  14.073  -4.244  -6.870
  298   2HG   GLU  41          HG3       GLU  41  15.024  -3.282  -5.745
  299    H    LEU  42           H        LEU  42  12.549  -4.369  -2.006
  300    HA   LEU  42           HA       LEU  42  10.799  -6.557  -1.696
  301   1HB   LEU  42          HB2       LEU  42  12.376  -5.157   0.004
  302   2HB   LEU  42          HB3       LEU  42  10.881  -4.333   0.358
  303    HG   LEU  42           HG       LEU  42  11.105  -5.983   1.983
  304   1HD1  LEU  42          HD11      LEU  42   9.250  -7.517   1.727
  305   2HD1  LEU  42          HD12      LEU  42   8.813  -5.987   0.943
  306   3HD1  LEU  42          HD13      LEU  42   9.308  -7.378  -0.045
  307   1HD2  LEU  42          HD21      LEU  42  12.880  -7.268   0.910
  308   2HD2  LEU  42          HD22      LEU  42  11.610  -8.347   1.507
  309   3HD2  LEU  42          HD23      LEU  42  11.714  -7.978  -0.226
  310    H    ASP  43           H        ASP  43  10.142  -3.023  -1.607
  311    HA   ASP  43           HA       ASP  43   7.380  -3.132  -1.132
  312   1HB   ASP  43          HB2       ASP  43   8.848  -1.066  -1.129
  313   2HB   ASP  43          HB3       ASP  43   8.810  -1.108  -2.903
  314    H    GLN  44           H        GLN  44   9.191  -3.292  -4.185
  315    HA   GLN  44           HA       GLN  44   6.834  -3.302  -5.832
  316   1HB   GLN  44          HB2       GLN  44   9.756  -3.908  -6.371
  317   2HB   GLN  44          HB3       GLN  44   8.520  -3.918  -7.637
  318   1HG   GLN  44          HG2       GLN  44   7.985  -1.596  -7.297
  319   2HG   GLN  44          HG3       GLN  44   8.939  -1.498  -5.819
  320   1HE2  GLN  44          HE22      GLN  44  11.251  -1.610  -5.959
  321   2HE2  GLN  44          HE21      GLN  44  12.103  -1.178  -7.443
  322    H    GLU  45           H        GLU  45   8.205  -5.783  -3.900
  323    HA   GLU  45           HA       GLU  45   6.995  -7.948  -5.527
  324   1HB   GLU  45          HB2       GLU  45   9.044  -7.896  -3.276
  325   2HB   GLU  45          HB3       GLU  45   8.241  -9.379  -3.837
  326   1HG   GLU  45          HG2       GLU  45   8.968  -8.740  -6.213
  327   2HG   GLU  45          HG3       GLU  45  10.011  -7.539  -5.481
  328    H    MET  46           H        MET  46   6.758  -6.337  -2.368
  329    HA   MET  46           HA       MET  46   4.473  -8.157  -1.710
  330   1HB   MET  46          HB2       MET  46   6.426  -6.803   0.172
  331   2HB   MET  46          HB3       MET  46   5.170  -7.964   0.604
  332   1HG   MET  46          HG2       MET  46   7.644  -8.489  -1.079
  333   2HG   MET  46          HG3       MET  46   7.364  -9.024   0.570
  334   1HE   MET  46          HE1       MET  46   4.622 -10.307   0.769
  335   2HE   MET  46          HE2       MET  46   4.923 -11.975   0.226
  336   3HE   MET  46          HE3       MET  46   6.123 -11.153   1.247
  337    H    GLY  47           H        GLY  47   5.023  -4.899  -2.498
  338   1HA   GLY  47          HA2       GLY  47   3.625  -3.500  -0.529
  339   2HA   GLY  47          HA3       GLY  47   3.826  -3.001  -2.213
  340    H    ASP  48           H        ASP  48   2.165  -5.835  -2.433
  341    HA   ASP  48           HA       ASP  48  -0.457  -4.601  -2.728
  342   1HB   ASP  48          HB2       ASP  48   0.270  -6.402  -4.252
  343   2HB   ASP  48          HB3       ASP  48   0.423  -7.510  -2.885
  344    H    LYS  49           H        LYS  49   1.362  -6.385  -0.304
  345    HA   LYS  49           HA       LYS  49  -1.035  -6.623   1.484
  346   1HB   LYS  49          HB2       LYS  49   1.369  -8.475   1.210
  347   2HB   LYS  49          HB3       LYS  49   0.015  -8.729   2.292
  348   1HG   LYS  49          HG2       LYS  49  -0.445  -8.628  -0.711
  349   2HG   LYS  49          HG3       LYS  49   0.266 -10.037   0.032
  350   1HD   LYS  49          HD2       LYS  49  -2.083 -10.414  -0.226
  351   2HD   LYS  49          HD3       LYS  49  -1.649 -10.386   1.471
  352   1HE   LYS  49          HE2       LYS  49  -3.788  -9.334   1.122
  353   2HE   LYS  49          HE3       LYS  49  -2.643  -8.143   1.732
  354   1HZ   LYS  49          HZ1       LYS  49  -4.193  -7.625  -0.288
  355   2HZ   LYS  49          HZ2       LYS  49  -2.671  -7.035  -0.276
  356   3HZ   LYS  49          HZ3       LYS  49  -2.999  -8.330  -1.185
  357    H    LEU  50           H        LEU  50   2.315  -5.629   1.146
  358    HA   LEU  50           HA       LEU  50   2.673  -5.470   4.076
  359   1HB   LEU  50          HB2       LEU  50   4.210  -6.859   2.642
  360   2HB   LEU  50          HB3       LEU  50   4.638  -5.398   1.748
  361    HG   LEU  50           HG       LEU  50   5.621  -4.427   3.831
  362   1HD1  LEU  50          HD11      LEU  50   4.337  -5.659   5.532
  363   2HD1  LEU  50          HD12      LEU  50   5.029  -7.194   4.974
  364   3HD1  LEU  50          HD13      LEU  50   6.056  -5.964   5.743
  365   1HD2  LEU  50          HD21      LEU  50   7.610  -5.884   3.848
  366   2HD2  LEU  50          HD22      LEU  50   6.698  -7.117   2.939
  367   3HD2  LEU  50          HD23      LEU  50   7.021  -5.524   2.220
  368    H    LYS  51           H        LYS  51   3.616  -3.601   4.989
  369    HA   LYS  51           HA       LYS  51   3.784  -1.132   3.326
  370   1HB   LYS  51          HB2       LYS  51   1.845  -1.053   4.953
  371   2HB   LYS  51          HB3       LYS  51   2.970  -1.392   6.259
  372   1HG   LYS  51          HG2       LYS  51   4.221   0.746   5.619
  373   2HG   LYS  51          HG3       LYS  51   2.904   1.102   4.504
  374   1HD   LYS  51          HD2       LYS  51   2.648   0.686   7.521
  375   2HD   LYS  51          HD3       LYS  51   2.728   2.253   6.711
  376   1HE   LYS  51          HE2       LYS  51   0.638   1.741   5.476
  377   2HE   LYS  51          HE3       LYS  51   0.535   0.168   6.291
  378   1HZ   LYS  51          HZ1       LYS  51   0.367   1.329   8.392
  379   2HZ   LYS  51          HZ2       LYS  51   0.507   2.798   7.650
  380   3HZ   LYS  51          HZ3       LYS  51  -0.824   1.865   7.381
  381    H    ILE  52           H        ILE  52   5.734   0.041   3.776
  382    HA   ILE  52           HA       ILE  52   7.641  -1.320   5.605
  383    HB   ILE  52           HB       ILE  52   8.223  -0.002   2.938
  384   1HG1  ILE  52          HG12      ILE  52   8.525  -2.894   3.869
  385   2HG1  ILE  52          HG13      ILE  52   7.310  -2.291   2.744
  386   1HG2  ILE  52          HG21      ILE  52   9.999   0.525   4.616
  387   2HG2  ILE  52          HG22      ILE  52  10.206  -1.214   4.918
  388   3HG2  ILE  52          HG23      ILE  52  10.596  -0.512   3.334
  389   1HD1  ILE  52          HD11      ILE  52   9.162  -1.623   1.174
  390   2HD1  ILE  52          HD12      ILE  52  10.292  -2.500   2.236
  391   3HD1  ILE  52          HD13      ILE  52   8.965  -3.365   1.444
  392    H    VAL  53           H        VAL  53   8.601   0.103   7.101
  393    HA   VAL  53           HA       VAL  53   7.654   2.951   6.976
  394    HB   VAL  53           HB       VAL  53   7.357   1.000   9.297
  395   1HG1  VAL  53          HG11      VAL  53   6.715   3.983   9.145
  396   2HG1  VAL  53          HG12      VAL  53   6.256   2.895  10.479
  397   3HG1  VAL  53          HG13      VAL  53   7.959   3.233  10.171
  398   1HG2  VAL  53          HG21      VAL  53   4.948   1.497   9.062
  399   2HG2  VAL  53          HG22      VAL  53   5.283   2.501   7.638
  400   3HG2  VAL  53          HG23      VAL  53   5.596   0.756   7.595
  401    H    LYS  54           H        LYS  54   9.593   3.933   6.588
  402    HA   LYS  54           HA       LYS  54  12.015   3.077   8.018
  403   1HB   LYS  54          HB2       LYS  54  11.475   5.521   6.284
  404   2HB   LYS  54          HB3       LYS  54  13.049   5.019   6.920
  405   1HG   LYS  54          HG2       LYS  54  12.893   2.901   5.625
  406   2HG   LYS  54          HG3       LYS  54  11.331   3.395   4.988
  407   1HD   LYS  54          HD2       LYS  54  13.109   3.788   3.347
  408   2HD   LYS  54          HD3       LYS  54  12.311   5.279   3.829
  409   1HE   LYS  54          HE2       LYS  54  14.638   5.745   3.680
  410   2HE   LYS  54          HE3       LYS  54  14.198   5.784   5.386
  411   1HZ   LYS  54          HZ1       LYS  54  15.628   3.601   3.978
  412   2HZ   LYS  54          HZ2       LYS  54  16.242   4.590   5.125
  413   3HZ   LYS  54          HZ3       LYS  54  15.132   3.455   5.526
  414    H    ILE  55           H        ILE  55  12.825   4.068   9.905
  415    HA   ILE  55           HA       ILE  55  11.465   6.489  10.895
  416    HB   ILE  55           HB       ILE  55  10.130   4.838  11.891
  417   1HG1  ILE  55          HG12      ILE  55  12.094   5.640  14.069
  418   2HG1  ILE  55          HG13      ILE  55  11.028   6.795  13.267
  419   1HG2  ILE  55          HG21      ILE  55  11.529   2.821  11.668
  420   2HG2  ILE  55          HG22      ILE  55  12.611   3.424  12.941
  421   3HG2  ILE  55          HG23      ILE  55  10.933   2.999  13.314
  422   1HD1  ILE  55          HD11      ILE  55  10.106   4.386  14.881
  423   2HD1  ILE  55          HD12      ILE  55  10.025   6.087  15.361
  424   3HD1  ILE  55          HD13      ILE  55   9.044   5.518  14.003
  425    H    ASP  56           H        ASP  56  12.791   7.890  11.736
  426    HA   ASP  56           HA       ASP  56  15.633   7.415  11.345
  427   1HB   ASP  56          HB2       ASP  56  14.557   9.353  10.376
  428   2HB   ASP  56          HB3       ASP  56  14.048   9.914  11.972
  429    H    VAL  57           H        VAL  57  16.710   6.489  13.078
  430    HA   VAL  57           HA       VAL  57  15.781   6.690  15.762
  431    HB   VAL  57           HB       VAL  57  17.817   5.561  16.417
  432   1HG1  VAL  57          HG11      VAL  57  16.747   4.383  13.817
  433   2HG1  VAL  57          HG12      VAL  57  17.500   3.511  15.170
  434   3HG1  VAL  57          HG13      VAL  57  15.936   4.315  15.393
  435   1HG2  VAL  57          HG21      VAL  57  19.481   6.681  14.939
  436   2HG2  VAL  57          HG22      VAL  57  19.578   4.918  14.873
  437   3HG2  VAL  57          HG23      VAL  57  18.806   5.803  13.551
  438    H    ASP  58           H        ASP  58  17.599   9.027  13.915
  439    HA   ASP  58           HA       ASP  58  19.013  10.208  16.147
  440   1HB   ASP  58          HB2       ASP  58  19.632  10.563  13.759
  441   2HB   ASP  58          HB3       ASP  58  18.139  11.488  13.538
  442    H    GLU  59           H        GLU  59  15.670  10.198  15.202
  443    HA   GLU  59           HA       GLU  59  15.099  12.350  17.210
  444   1HB   GLU  59          HB2       GLU  59  13.666  11.756  14.588
  445   2HB   GLU  59          HB3       GLU  59  13.105  12.891  15.823
  446   1HG   GLU  59          HG2       GLU  59  15.299  14.136  15.573
  447   2HG   GLU  59          HG3       GLU  59  15.646  13.124  14.169
  448    H    ASN  60           H        ASN  60  14.960   9.070  16.791
  449    HA   ASN  60           HA       ASN  60  12.411   8.782  18.315
  450   1HB   ASN  60          HB2       ASN  60  13.177   7.213  15.823
  451   2HB   ASN  60          HB3       ASN  60  11.802   6.875  16.868
  452   1HD2  ASN  60          HD21      ASN  60  12.991   8.965  14.337
  453   2HD2  ASN  60          HD22      ASN  60  11.512   9.884  14.130
  454    H    GLN  61           H        GLN  61  14.977   8.762  19.464
  455    HA   GLN  61           HA       GLN  61  16.102   6.225  19.886
  456   1HB   GLN  61          HB2       GLN  61  15.734   8.468  21.929
  457   2HB   GLN  61          HB3       GLN  61  16.811   7.083  22.080
  458   1HG   GLN  61          HG2       GLN  61  18.355   8.546  21.310
  459   2HG   GLN  61          HG3       GLN  61  17.766   7.962  19.756
  460   1HE2  GLN  61          HE22      GLN  61  17.225   9.516  18.309
  461   2HE2  GLN  61          HE21      GLN  61  16.939  11.201  18.684
  462    H    GLU  62           H        GLU  62  13.078   7.596  21.203
  463    HA   GLU  62           HA       GLU  62  12.782   5.710  23.309
  464   1HB   GLU  62          HB2       GLU  62  10.710   7.349  21.781
  465   2HB   GLU  62          HB3       GLU  62  10.363   6.400  23.235
  466   1HG   GLU  62          HG2       GLU  62  12.058   7.725  24.497
  467   2HG   GLU  62          HG3       GLU  62  12.345   8.714  23.065
  468    H    THR  63           H        THR  63  11.456   5.672  19.912
  469    HA   THR  63           HA       THR  63  10.124   3.190  20.267
  470    HB   THR  63           HB       THR  63  11.158   4.031  17.617
  471    HG1  THR  63           HG1      THR  63   9.201   5.527  19.024
  472   1HG2  THR  63          HG21      THR  63   9.527   2.184  17.773
  473   2HG2  THR  63          HG22      THR  63   8.343   3.292  18.494
  474   3HG2  THR  63          HG23      THR  63   8.908   3.539  16.822
  475    H    ALA  64           H        ALA  64  13.383   4.081  19.028
  476    HA   ALA  64           HA       ALA  64  14.265   1.475  18.334
  477   1HB   ALA  64          HB1       ALA  64  16.557   2.472  18.685
  478   2HB   ALA  64          HB2       ALA  64  15.497   3.536  17.741
  479   3HB   ALA  64          HB3       ALA  64  15.811   3.871  19.456
  480    H    GLY  65           H        GLY  65  14.494   3.222  21.474
  481   1HA   GLY  65          HA2       GLY  65  15.730   1.167  22.967
  482   2HA   GLY  65          HA3       GLY  65  14.727   2.486  23.603
  483    H    LYS  66           H        LYS  66  12.338   1.634  22.021
  484    HA   LYS  66           HA       LYS  66  11.019   0.010  23.857
  485   1HB   LYS  66          HB2       LYS  66  10.137   1.549  21.951
  486   2HB   LYS  66          HB3       LYS  66  10.279   0.128  20.919
  487   1HG   LYS  66          HG2       LYS  66   8.692  -1.116  22.235
  488   2HG   LYS  66          HG3       LYS  66   8.729   0.087  23.543
  489   1HD   LYS  66          HD2       LYS  66   7.723   1.773  22.098
  490   2HD   LYS  66          HD3       LYS  66   7.733   0.651  20.721
  491   1HE   LYS  66          HE2       LYS  66   6.224  -0.886  21.958
  492   2HE   LYS  66          HE3       LYS  66   6.233   0.209  23.346
  493   1HZ   LYS  66          HZ1       LYS  66   5.161   1.882  21.959
  494   2HZ   LYS  66          HZ2       LYS  66   5.155   0.878  20.665
  495   3HZ   LYS  66          HZ3       LYS  66   4.269   0.521  21.984
  496    H    TYR  67           H        TYR  67  12.992  -0.950  21.060
  497    HA   TYR  67           HA       TYR  67  12.554  -3.813  21.818
  498   1HB   TYR  67          HB2       TYR  67  13.484  -3.027  19.090
  499   2HB   TYR  67          HB3       TYR  67  12.576  -4.442  19.594
  500    HD1  TYR  67           HD1      TYR  67  12.452  -1.172  18.134
  501    HD2  TYR  67           HD2      TYR  67  10.079  -3.976  20.399
  502    HE1  TYR  67           HE1      TYR  67  10.447   0.097  17.577
  503    HE2  TYR  67           HE2      TYR  67   8.025  -2.732  19.790
  504    HH   TYR  67           HH       TYR  67   7.143  -0.905  18.654
  505    H    GLY  68           H        GLY  68  14.709  -1.568  22.517
  506   1HA   GLY  68          HA2       GLY  68  16.919  -1.546  23.036
  507   2HA   GLY  68          HA3       GLY  68  16.924  -3.309  22.858
  508    H    VAL  69           H        VAL  69  16.080  -1.106  20.171
  509    HA   VAL  69           HA       VAL  69  18.182  -2.125  18.444
  510    HB   VAL  69           HB       VAL  69  16.408   0.339  18.186
  511   1HG1  VAL  69          HG11      VAL  69  18.343   0.536  16.712
  512   2HG1  VAL  69          HG12      VAL  69  18.091  -1.113  16.110
  513   3HG1  VAL  69          HG13      VAL  69  16.909   0.165  15.755
  514   1HG2  VAL  69          HG21      VAL  69  16.004  -2.471  17.101
  515   2HG2  VAL  69          HG22      VAL  69  14.994  -1.614  18.285
  516   3HG2  VAL  69          HG23      VAL  69  15.053  -1.043  16.622
  517    H    MET  70           H        MET  70  20.248  -1.482  18.449
  518    HA   MET  70           HA       MET  70  21.032   1.130  19.643
  519   1HB   MET  70          HB2       MET  70  21.177  -0.888  21.214
  520   2HB   MET  70          HB3       MET  70  22.444  -1.520  20.154
  521   1HG   MET  70          HG2       MET  70  23.831   0.464  20.637
  522   2HG   MET  70          HG3       MET  70  22.512   1.177  21.573
  523   1HE   MET  70          HE1       MET  70  25.509   0.923  22.606
  524   2HE   MET  70          HE2       MET  70  24.189   1.644  23.555
  525   3HE   MET  70          HE3       MET  70  25.233   0.404  24.284
  526    H    SER  71           H        SER  71  20.968  -0.629  16.869
  527    HA   SER  71           HA       SER  71  23.293   0.655  15.701
  528   1HB   SER  71          HB2       SER  71  22.776  -2.347  15.449
  529   2HB   SER  71          HB3       SER  71  24.055  -1.435  14.636
  530    HG   SER  71           HG       SER  71  24.809  -2.548  16.493
  531    H    ILE  72           H        ILE  72  23.068   0.497  13.257
  532    HA   ILE  72           HA       ILE  72  20.413  -0.201  12.272
  533    HB   ILE  72           HB       ILE  72  20.200   1.954  11.078
  534   1HG1  ILE  72          HG12      ILE  72  22.326   3.049  12.974
  535   2HG1  ILE  72          HG13      ILE  72  22.609   2.682  11.271
  536   1HG2  ILE  72          HG21      ILE  72  19.145   3.143  12.880
  537   2HG2  ILE  72          HG22      ILE  72  18.976   1.421  13.214
  538   3HG2  ILE  72          HG23      ILE  72  20.191   2.373  14.090
  539   1HD1  ILE  72          HD11      ILE  72  22.196   5.052  11.502
  540   2HD1  ILE  72          HD12      ILE  72  20.853   4.301  10.623
  541   3HD1  ILE  72          HD13      ILE  72  20.658   4.765  12.328
  542    HA   PRO  73           HA       PRO  73  19.515   0.312   9.864
  543   1HB   PRO  73          HB2       PRO  73  19.077  -1.576   7.934
  544   2HB   PRO  73          HB3       PRO  73  19.729   0.049   7.588
  545   1HG   PRO  73          HG2       PRO  73  21.250  -2.548   7.915
  546   2HG   PRO  73          HG3       PRO  73  21.463  -1.291   6.658
  547   1HD   PRO  73          HD2       PRO  73  23.064  -1.444   8.873
  548   2HD   PRO  73          HD3       PRO  73  22.621   0.124   8.143
  549    H    THR  74           H        THR  74  17.879  -0.727  10.938
  550    HA   THR  74           HA       THR  74  18.206  -3.621  11.599
  551    HB   THR  74           HB       THR  74  17.633  -1.348  13.543
  552    HG1  THR  74           HG1      THR  74  19.610  -1.693  14.075
  553   1HG2  THR  74          HG21      THR  74  16.095  -3.088  14.169
  554   2HG2  THR  74          HG22      THR  74  17.304  -4.356  13.904
  555   3HG2  THR  74          HG23      THR  74  17.482  -3.227  15.259
  556    H    LEU  75           H        LEU  75  16.286  -4.763  11.479
  557    HA   LEU  75           HA       LEU  75  14.010  -3.226  10.334
  558   1HB   LEU  75          HB2       LEU  75  14.933  -6.021   9.631
  559   2HB   LEU  75          HB3       LEU  75  13.461  -5.251   9.094
  560    HG   LEU  75           HG       LEU  75  14.762  -4.992   7.285
  561   1HD1  LEU  75          HD11      LEU  75  13.885  -2.798   7.888
  562   2HD1  LEU  75          HD12      LEU  75  15.464  -2.391   8.610
  563   3HD1  LEU  75          HD13      LEU  75  15.339  -2.732   6.878
  564   1HD2  LEU  75          HD21      LEU  75  17.134  -4.472   7.166
  565   2HD2  LEU  75          HD22      LEU  75  17.214  -4.224   8.918
  566   3HD2  LEU  75          HD23      LEU  75  16.886  -5.839   8.254
  567    H    LEU  76           H        LEU  76  12.037  -3.592  11.278
  568    HA   LEU  76           HA       LEU  76  11.796  -5.789  13.331
  569   1HB   LEU  76          HB2       LEU  76  10.902  -2.879  13.456
  570   2HB   LEU  76          HB3       LEU  76  10.041  -4.129  14.316
  571    HG   LEU  76           HG       LEU  76  11.591  -2.799  15.725
  572   1HD1  LEU  76          HD11      LEU  76  10.867  -5.032  16.416
  573   2HD1  LEU  76          HD12      LEU  76  12.216  -5.780  15.546
  574   3HD1  LEU  76          HD13      LEU  76  12.525  -4.730  16.945
  575   1HD2  LEU  76          HD21      LEU  76  13.876  -4.306  14.410
  576   2HD2  LEU  76          HD22      LEU  76  13.460  -2.626  14.020
  577   3HD2  LEU  76          HD23      LEU  76  13.951  -3.064  15.666
  578    H    VAL  77           H        VAL  77  10.218  -7.146  12.682
  579    HA   VAL  77           HA       VAL  77   8.362  -6.220  10.530
  580    HB   VAL  77           HB       VAL  77   8.671  -9.045  11.554
  581   1HG1  VAL  77          HG11      VAL  77   6.611  -8.473  10.296
  582   2HG1  VAL  77          HG12      VAL  77   7.598  -7.930   8.928
  583   3HG1  VAL  77          HG13      VAL  77   7.610  -9.640   9.419
  584   1HG2  VAL  77          HG21      VAL  77  10.039  -9.564   9.530
  585   2HG2  VAL  77          HG22      VAL  77  10.178  -7.826   9.205
  586   3HG2  VAL  77          HG23      VAL  77  10.892  -8.525  10.673
  587    H    LEU  78           H        LEU  78   6.372  -5.637  11.317
  588    HA   LEU  78           HA       LEU  78   5.609  -6.549  14.045
  589   1HB   LEU  78          HB2       LEU  78   4.943  -3.887  12.702
  590   2HB   LEU  78          HB3       LEU  78   4.221  -4.502  14.180
  591    HG   LEU  78           HG       LEU  78   6.793  -4.679  14.957
  592   1HD1  LEU  78          HD11      LEU  78   6.818  -2.345  13.002
  593   2HD1  LEU  78          HD12      LEU  78   8.072  -2.705  14.204
  594   3HD1  LEU  78          HD13      LEU  78   7.770  -3.825  12.873
  595   1HD2  LEU  78          HD21      LEU  78   5.016  -3.435  16.133
  596   2HD2  LEU  78          HD22      LEU  78   6.552  -2.562  16.117
  597   3HD2  LEU  78          HD23      LEU  78   5.242  -2.069  15.028
  598    H    LYS  79           H        LYS  79   3.360  -6.975  14.280
  599    HA   LYS  79           HA       LYS  79   1.762  -7.180  11.795
  600   1HB   LYS  79          HB2       LYS  79   2.732  -9.424  12.221
  601   2HB   LYS  79          HB3       LYS  79   2.066  -9.403  13.864
  602   1HG   LYS  79          HG2       LYS  79  -0.236  -9.230  12.857
  603   2HG   LYS  79          HG3       LYS  79   0.509  -9.341  11.246
  604   1HD   LYS  79          HD2       LYS  79   1.403 -11.585  11.821
  605   2HD   LYS  79          HD3       LYS  79   0.738 -11.437  13.448
  606   1HE   LYS  79          HE2       LYS  79  -0.744 -12.838  12.228
  607   2HE   LYS  79          HE3       LYS  79  -1.569 -11.298  12.473
  608   1HZ   LYS  79          HZ1       LYS  79  -1.041 -10.729  10.174
  609   2HZ   LYS  79          HZ2       LYS  79  -0.194 -12.129   9.973
  610   3HZ   LYS  79          HZ3       LYS  79  -1.811 -12.165  10.213
  611    H    ASP  80           H        ASP  80  -0.014  -6.028  12.185
  612    HA   ASP  80           HA       ASP  80  -1.696  -4.946  13.202
  613   1HB   ASP  80          HB2       ASP  80  -2.487  -7.259  13.342
  614   2HB   ASP  80          HB3       ASP  80  -1.753  -7.438  14.934
  615    H    GLY  81           H        GLY  81   0.886  -4.150  14.085
  616   1HA   GLY  81          HA2       GLY  81   1.315  -2.281  15.356
  617   2HA   GLY  81          HA3       GLY  81   0.046  -2.713  16.496
  618    H    GLU  82           H        GLU  82   1.910  -5.544  16.252
  619    HA   GLU  82           HA       GLU  82   3.878  -4.622  18.281
  620   1HB   GLU  82          HB2       GLU  82   3.348  -6.454  19.662
  621   2HB   GLU  82          HB3       GLU  82   1.820  -5.677  19.213
  622   1HG   GLU  82          HG2       GLU  82   1.370  -7.451  17.568
  623   2HG   GLU  82          HG3       GLU  82   2.897  -8.241  17.975
  624    H    VAL  83           H        VAL  83   5.836  -5.943  18.400
  625    HA   VAL  83           HA       VAL  83   6.841  -6.633  15.812
  626    HB   VAL  83           HB       VAL  83   8.011  -7.325  18.530
  627   1HG1  VAL  83          HG11      VAL  83   9.293  -7.013  15.765
  628   2HG1  VAL  83          HG12      VAL  83  10.171  -7.273  17.289
  629   3HG1  VAL  83          HG13      VAL  83   9.108  -8.530  16.669
  630   1HG2  VAL  83          HG21      VAL  83   8.381  -4.823  16.814
  631   2HG2  VAL  83          HG22      VAL  83   7.623  -4.894  18.419
  632   3HG2  VAL  83          HG23      VAL  83   9.338  -5.248  18.246
  633    H    VAL  84           H        VAL  84   6.906  -8.415  14.744
  634    HA   VAL  84           HA       VAL  84   6.132 -10.968  16.035
  635    HB   VAL  84           HB       VAL  84   4.476  -9.827  14.439
  636   1HG1  VAL  84          HG11      VAL  84   5.966  -9.182  12.619
  637   2HG1  VAL  84          HG12      VAL  84   6.393 -10.882  12.318
  638   3HG1  VAL  84          HG13      VAL  84   4.745 -10.313  12.033
  639   1HG2  VAL  84          HG21      VAL  84   5.295 -12.694  13.954
  640   2HG2  VAL  84          HG22      VAL  84   4.203 -12.096  15.218
  641   3HG2  VAL  84          HG23      VAL  84   3.729 -11.962  13.518
  642    H    GLU  85           H        GLU  85   8.565  -9.231  14.054
  643    HA   GLU  85           HA       GLU  85  10.366 -11.475  14.441
  644   1HB   GLU  85          HB2       GLU  85   9.001 -11.162  11.841
  645   2HB   GLU  85          HB3       GLU  85  10.739 -11.021  11.670
  646   1HG   GLU  85          HG2       GLU  85   9.247 -13.342  12.942
  647   2HG   GLU  85          HG3       GLU  85   9.890 -13.293  11.310
  648    H    THR  86           H        THR  86  12.629 -10.836  13.443
  649    HA   THR  86           HA       THR  86  13.040  -7.918  13.254
  650    HB   THR  86           HB       THR  86  14.237  -9.632  15.468
  651    HG1  THR  86           HG1      THR  86  11.909  -8.349  15.323
  652   1HG2  THR  86          HG21      THR  86  15.792  -7.838  14.964
  653   2HG2  THR  86          HG22      THR  86  14.481  -6.639  14.928
  654   3HG2  THR  86          HG23      THR  86  14.947  -7.421  16.454
  655    H    SER  87           H        SER  87  15.170  -7.378  12.453
  656    HA   SER  87           HA       SER  87  17.192  -9.451  12.124
  657   1HB   SER  87          HB2       SER  87  15.893  -8.049   9.750
  658   2HB   SER  87          HB3       SER  87  17.502  -8.794   9.669
  659    HG   SER  87           HG       SER  87  15.437 -10.307  10.760
  660    H    VAL  88           H        VAL  88  19.305  -8.455  11.711
  661    HA   VAL  88           HA       VAL  88  19.428  -5.514  12.161
  662    HB   VAL  88           HB       VAL  88  21.059  -7.629  13.615
  663   1HG1  VAL  88          HG11      VAL  88  20.944  -4.602  13.974
  664   2HG1  VAL  88          HG12      VAL  88  21.850  -5.729  15.004
  665   3HG1  VAL  88          HG13      VAL  88  22.308  -5.530  13.313
  666   1HG2  VAL  88          HG21      VAL  88  18.783  -7.664  14.543
  667   2HG2  VAL  88          HG22      VAL  88  19.889  -6.905  15.683
  668   3HG2  VAL  88          HG23      VAL  88  18.805  -5.894  14.709
  669    H    GLY  89           H        GLY  89  21.038  -4.537  10.941
  670   1HA   GLY  89          HA2       GLY  89  22.875  -4.329   9.566
  671   2HA   GLY  89          HA3       GLY  89  23.212  -6.061   9.704
  672    H    PHE  90           H        PHE  90  23.558  -5.306   7.264
  673    HA   PHE  90           HA       PHE  90  21.246  -5.124   5.570
  674   1HB   PHE  90          HB2       PHE  90  23.513  -4.404   4.878
  675   2HB   PHE  90          HB3       PHE  90  24.096  -6.059   4.989
  676    HD1  PHE  90           HD1      PHE  90  22.424  -3.608   2.896
  677    HD2  PHE  90           HD2      PHE  90  23.204  -7.823   3.367
  678    HE1  PHE  90           HE1      PHE  90  21.730  -4.003   0.543
  679    HE2  PHE  90           HE2      PHE  90  22.505  -8.213   1.023
  680    HZ   PHE  90           HZ       PHE  90  21.764  -6.307  -0.393
  681    H    LYS  91           H        LYS  91  19.981  -6.663   4.723
  682    HA   LYS  91           HA       LYS  91  20.691  -9.522   4.825
  683   1HB   LYS  91          HB2       LYS  91  18.403  -8.159   6.227
  684   2HB   LYS  91          HB3       LYS  91  17.954  -9.514   5.215
  685   1HG   LYS  91          HG2       LYS  91  18.212 -10.162   7.523
  686   2HG   LYS  91          HG3       LYS  91  19.288 -11.057   6.443
  687   1HD   LYS  91          HD2       LYS  91  21.205  -9.865   7.212
  688   2HD   LYS  91          HD3       LYS  91  20.211  -8.683   8.108
  689   1HE   LYS  91          HE2       LYS  91  19.455 -10.501   9.612
  690   2HE   LYS  91          HE3       LYS  91  20.382 -11.680   8.678
  691   1HZ   LYS  91          HZ1       LYS  91  22.408 -10.537   9.325
  692   2HZ   LYS  91          HZ2       LYS  91  21.572  -9.397  10.158
  693   3HZ   LYS  91          HZ3       LYS  91  21.577 -10.959  10.660
  694    HA   PRO  92           HA       PRO  92  19.231  -8.851   0.661
  695   1HB   PRO  92          HB2       PRO  92  18.637 -11.381  -0.194
  696   2HB   PRO  92          HB3       PRO  92  20.313 -10.840   0.129
  697   1HG   PRO  92          HG2       PRO  92  18.475 -12.400   1.973
  698   2HG   PRO  92          HG3       PRO  92  20.183 -12.749   1.561
  699   1HD   PRO  92          HD2       PRO  92  19.470 -11.409   3.840
  700   2HD   PRO  92          HD3       PRO  92  20.970 -11.014   2.947
  701    H    LYS  93           H        LYS  93  17.266  -8.849  -0.632
  702    HA   LYS  93           HA       LYS  93  14.924  -8.365   0.840
  703   1HB   LYS  93          HB2       LYS  93  13.741  -8.301  -1.306
  704   2HB   LYS  93          HB3       LYS  93  15.222  -7.377  -1.336
  705   1HG   LYS  93          HG2       LYS  93  16.317  -9.334  -2.559
  706   2HG   LYS  93          HG3       LYS  93  14.708 -10.088  -2.614
  707   1HD   LYS  93          HD2       LYS  93  13.868  -7.941  -3.730
  708   2HD   LYS  93          HD3       LYS  93  15.549  -7.405  -3.795
  709   1HE   LYS  93          HE2       LYS  93  14.949  -8.305  -5.939
  710   2HE   LYS  93          HE3       LYS  93  16.119  -9.399  -5.196
  711   1HZ   LYS  93          HZ1       LYS  93  14.148 -10.481  -6.256
  712   2HZ   LYS  93          HZ2       LYS  93  14.350 -10.914  -4.699
  713   3HZ   LYS  93          HZ3       LYS  93  13.182  -9.831  -5.092
  714    H    GLU  94           H        GLU  94  16.040 -11.383  -0.559
  715    HA   GLU  94           HA       GLU  94  13.625 -12.846  -0.386
  716   1HB   GLU  94          HB2       GLU  94  15.665 -13.573  -1.589
  717   2HB   GLU  94          HB3       GLU  94  16.500 -13.810  -0.047
  718   1HG   GLU  94          HG2       GLU  94  14.872 -15.565   0.581
  719   2HG   GLU  94          HG3       GLU  94  13.956 -15.268  -0.900
  720    H    ALA  95           H        ALA  95  16.154 -12.171   2.114
  721    HA   ALA  95           HA       ALA  95  15.062 -13.967   4.050
  722   1HB   ALA  95          HB1       ALA  95  17.387 -13.173   4.183
  723   2HB   ALA  95          HB2       ALA  95  16.821 -11.502   4.421
  724   3HB   ALA  95          HB3       ALA  95  16.493 -12.737   5.651
  725    H    LEU  96           H        LEU  96  14.746 -10.433   3.545
  726    HA   LEU  96           HA       LEU  96  12.915  -9.878   5.596
  727   1HB   LEU  96          HB2       LEU  96  13.486  -8.642   2.880
  728   2HB   LEU  96          HB3       LEU  96  12.149  -8.066   3.875
  729    HG   LEU  96           HG       LEU  96  13.756  -7.679   5.744
  730   1HD1  LEU  96          HD11      LEU  96  15.905  -8.097   3.645
  731   2HD1  LEU  96          HD12      LEU  96  16.147  -7.368   5.241
  732   3HD1  LEU  96          HD13      LEU  96  15.658  -9.057   5.129
  733   1HD2  LEU  96          HD21      LEU  96  14.616  -5.553   4.796
  734   2HD2  LEU  96          HD22      LEU  96  14.324  -6.160   3.152
  735   3HD2  LEU  96          HD23      LEU  96  12.963  -5.844   4.245
  736    H    GLN  97           H        GLN  97  12.281 -10.917   2.222
  737    HA   GLN  97           HA       GLN  97   9.457 -10.930   2.483
  738   1HB   GLN  97          HB2       GLN  97  11.455 -12.155   0.573
  739   2HB   GLN  97          HB3       GLN  97   9.815 -12.815   0.558
  740   1HG   GLN  97          HG2       GLN  97   8.815 -10.751   0.093
  741   2HG   GLN  97          HG3       GLN  97  10.273  -9.836   0.460
  742   1HE2  GLN  97          HE22      GLN  97  12.097  -9.960  -1.033
  743   2HE2  GLN  97          HE21      GLN  97  11.678 -10.074  -2.753
  744    H    GLU  98           H        GLU  98  11.828 -13.534   3.164
  745    HA   GLU  98           HA       GLU  98   9.814 -15.478   3.679
  746   1HB   GLU  98          HB2       GLU  98  12.705 -15.205   4.579
  747   2HB   GLU  98          HB3       GLU  98  11.703 -16.544   5.127
  748   1HG   GLU  98          HG2       GLU  98  12.176 -15.911   2.182
  749   2HG   GLU  98          HG3       GLU  98  13.152 -17.034   3.120
  750    H    LEU  99           H        LEU  99  11.408 -13.108   5.849
  751    HA   LEU  99           HA       LEU  99  10.001 -14.064   8.185
  752   1HB   LEU  99          HB2       LEU  99  11.180 -11.303   7.692
  753   2HB   LEU  99          HB3       LEU  99  10.595 -11.925   9.235
  754    HG   LEU  99           HG       LEU  99  13.025 -12.847   7.677
  755   1HD1  LEU  99          HD11      LEU  99  14.219 -12.197   9.699
  756   2HD1  LEU  99          HD12      LEU  99  13.254 -10.840   9.097
  757   3HD1  LEU  99          HD13      LEU  99  12.697 -11.773  10.505
  758   1HD2  LEU  99          HD21      LEU  99  11.787 -14.201  10.099
  759   2HD2  LEU  99          HD22      LEU  99  12.062 -14.915   8.493
  760   3HD2  LEU  99          HD23      LEU  99  13.436 -14.492   9.511
  761    H    VAL 100           H        VAL 100   9.140 -11.602   5.740
  762    HA   VAL 100           HA       VAL 100   6.684 -10.798   6.949
  763    HB   VAL 100           HB       VAL 100   7.689 -10.939   4.085
  764   1HG1  VAL 100          HG11      VAL 100   5.072  -9.702   5.006
  765   2HG1  VAL 100          HG12      VAL 100   5.836  -9.450   3.417
  766   3HG1  VAL 100          HG13      VAL 100   5.286 -11.060   3.879
  767   1HG2  VAL 100          HG21      VAL 100   8.728  -9.284   5.722
  768   2HG2  VAL 100          HG22      VAL 100   8.059  -8.619   4.237
  769   3HG2  VAL 100          HG23      VAL 100   7.157  -8.476   5.776
  770    H    ASN 101           H        ASN 101   7.470 -13.388   4.630
  771    HA   ASN 101           HA       ASN 101   4.871 -14.341   4.193
  772   1HB   ASN 101          HB2       ASN 101   6.877 -14.761   2.795
  773   2HB   ASN 101          HB3       ASN 101   7.521 -15.843   4.034
  774   1HD2  ASN 101          HD22      ASN 101   5.710 -15.670   1.199
  775   2HD2  ASN 101          HD21      ASN 101   4.982 -17.257   1.250
  776    H    LYS 102           H        LYS 102   7.205 -15.222   6.749
  777    HA   LYS 102           HA       LYS 102   5.891 -17.474   7.842
  778   1HB   LYS 102          HB2       LYS 102   7.512 -15.245   9.136
  779   2HB   LYS 102          HB3       LYS 102   6.851 -16.589  10.060
  780   1HG   LYS 102          HG2       LYS 102   8.152 -18.209   8.789
  781   2HG   LYS 102          HG3       LYS 102   8.782 -16.939   7.744
  782   1HD   LYS 102          HD2       LYS 102  10.454 -17.510   9.387
  783   2HD   LYS 102          HD3       LYS 102   9.888 -15.860   9.688
  784   1HE   LYS 102          HE2       LYS 102   8.472 -16.633  11.537
  785   2HE   LYS 102          HE3       LYS 102   8.875 -18.319  11.179
  786   1HZ   LYS 102          HZ1       LYS 102  10.180 -17.527  13.007
  787   2HZ   LYS 102          HZ2       LYS 102  11.190 -17.792  11.761
  788   3HZ   LYS 102          HZ3       LYS 102  10.776 -16.255  12.182
  789    H    HIS 103           H        HIS 103   4.928 -14.060   7.994
  790    HA   HIS 103           HA       HIS 103   2.840 -14.787  10.002
  791   1HB   HIS 103          HB2       HIS 103   4.562 -12.291   9.878
  792   2HB   HIS 103          HB3       HIS 103   3.282 -12.609  11.051
  793    HD1  HIS 103           HD1      HIS 103   3.767 -15.156  12.437
  794    HD2  HIS 103           HD2      HIS 103   6.945 -13.030  10.677
  795    HE1  HIS 103           HE1      HIS 103   5.903 -16.086  13.455
  796    H    LEU 104           H        LEU 104   3.185 -13.552   6.835
  797    HA   LEU 104           HA       LEU 104   0.918 -11.828   6.765
  798   1HB   LEU 104          HB2       LEU 104   2.248 -13.642   4.730
  799   2HB   LEU 104          HB3       LEU 104   0.696 -12.903   4.359
  800    HG   LEU 104           HG       LEU 104   3.211 -11.362   5.069
  801   1HD1  LEU 104          HD11      LEU 104   3.376 -12.495   2.884
  802   2HD1  LEU 104          HD12      LEU 104   1.803 -11.830   2.394
  803   3HD1  LEU 104          HD13      LEU 104   3.186 -10.750   2.653
  804   1HD2  LEU 104          HD21      LEU 104   1.209 -10.045   5.661
  805   2HD2  LEU 104          HD22      LEU 104   1.939  -9.386   4.203
  806   3HD2  LEU 104          HD23      LEU 104   0.482 -10.398   4.084
  Start of MODEL   12
    1   1H    MET   1          H1        MET   1   1.233  -1.637   1.597
    2   2H    MET   1          H2        MET   1  -0.409  -1.651   1.432
    3   3H    MET   1          H3        MET   1   0.570  -1.876   0.133
    4    HA   MET   1           HA       MET   1  -0.347   0.279   0.033
    5   1HB   MET   1          HB2       MET   1  -0.754   0.540   2.456
    6   2HB   MET   1          HB3       MET   1   0.965   0.787   2.732
    7   1HG   MET   1          HG2       MET   1  -0.276   2.912   2.651
    8   2HG   MET   1          HG3       MET   1   0.931   2.829   1.383
    9   1HE   MET   1          HE1       MET   1  -3.665   2.706   0.769
   10   2HE   MET   1          HE2       MET   1  -2.835   1.384   1.613
   11   3HE   MET   1          HE3       MET   1  -2.837   3.024   2.308
   12    H    ALA   2           H        ALA   2   2.742   1.055   1.698
   13    HA   ALA   2           HA       ALA   2   4.383   0.889  -0.669
   14   1HB   ALA   2          HB1       ALA   2   2.935   2.851  -1.260
   15   2HB   ALA   2          HB2       ALA   2   3.376   3.620   0.283
   16   3HB   ALA   2          HB3       ALA   2   4.606   3.338  -0.967
   17    H    ILE   3           H        ILE   3   6.423   2.514  -0.023
   18    HA   ILE   3           HA       ILE   3   7.196   1.953   2.749
   19    HB   ILE   3           HB       ILE   3   8.495   3.629   0.571
   20   1HG1  ILE   3          HG12      ILE   3   9.818   1.096   1.479
   21   2HG1  ILE   3          HG13      ILE   3   8.318   0.846   0.604
   22   1HG2  ILE   3          HG21      ILE   3  10.580   3.491   1.955
   23   2HG2  ILE   3          HG22      ILE   3   9.304   4.400   2.761
   24   3HG2  ILE   3          HG23      ILE   3   9.641   2.732   3.257
   25   1HD1  ILE   3          HD11      ILE   3  10.629   2.534  -0.424
   26   2HD1  ILE   3          HD12      ILE   3  10.255   0.866  -0.896
   27   3HD1  ILE   3          HD13      ILE   3   9.098   2.168  -1.273
   28    H    VAL   4           H        VAL   4   7.185   3.476   4.377
   29    HA   VAL   4           HA       VAL   4   5.955   6.150   3.944
   30    HB   VAL   4           HB       VAL   4   5.331   4.186   6.189
   31   1HG1  VAL   4          HG11      VAL   4   3.348   5.628   6.610
   32   2HG1  VAL   4          HG12      VAL   4   4.858   6.463   6.881
   33   3HG1  VAL   4          HG13      VAL   4   3.940   6.771   5.384
   34   1HG2  VAL   4          HG21      VAL   4   3.064   3.896   5.121
   35   2HG2  VAL   4          HG22      VAL   4   3.688   4.723   3.678
   36   3HG2  VAL   4          HG23      VAL   4   4.377   3.169   4.206
   37    H    LYS   5           H        LYS   5   6.476   7.545   5.914
   38    HA   LYS   5           HA       LYS   5   8.951   6.708   7.330
   39   1HB   LYS   5          HB2       LYS   5   8.394   9.375   6.013
   40   2HB   LYS   5          HB3       LYS   5   9.080   9.376   7.624
   41   1HG   LYS   5          HG2       LYS   5  11.030   9.378   6.595
   42   2HG   LYS   5          HG3       LYS   5  10.819   7.643   6.585
   43   1HD   LYS   5          HD2       LYS   5  10.307   9.611   4.315
   44   2HD   LYS   5          HD3       LYS   5  11.622   8.433   4.430
   45   1HE   LYS   5          HE2       LYS   5   9.917   6.585   4.358
   46   2HE   LYS   5          HE3       LYS   5   8.657   7.804   4.162
   47   1HZ   LYS   5          HZ1       LYS   5   9.711   8.514   2.093
   48   2HZ   LYS   5          HZ2       LYS   5  10.870   7.377   2.231
   49   3HZ   LYS   5          HZ3       LYS   5   9.312   6.943   2.002
   50    H    ALA   6           H        ALA   6   8.715   6.953   9.595
   51    HA   ALA   6           HA       ALA   6   6.249   8.284  10.599
   52   1HB   ALA   6          HB1       ALA   6   5.718   6.329  11.998
   53   2HB   ALA   6          HB2       ALA   6   5.698   5.882  10.287
   54   3HB   ALA   6          HB3       ALA   6   7.092   5.442  11.309
   55    H    THR   7           H        THR   7   6.286   8.242  13.059
   56    HA   THR   7           HA       THR   7   8.964   8.419  14.257
   57    HB   THR   7           HB       THR   7   8.142  10.492  15.469
   58    HG1  THR   7           HG1      THR   7   6.320  10.659  13.297
   59   1HG2  THR   7          HG21      THR   7   8.741  12.101  13.708
   60   2HG2  THR   7          HG22      THR   7   9.826  10.707  13.678
   61   3HG2  THR   7          HG23      THR   7   8.545  10.848  12.460
   62    H    ASP   8           H        ASP   8   8.664   8.579  16.680
   63    HA   ASP   8           HA       ASP   8   7.281   6.666  18.000
   64   1HB   ASP   8          HB2       ASP   8   8.831   7.996  19.201
   65   2HB   ASP   8          HB3       ASP   8   8.036   9.495  18.740
   66    H    GLN   9           H        GLN   9   5.886   9.790  17.011
   67    HA   GLN   9           HA       GLN   9   3.561   9.640  18.624
   68   1HB   GLN   9          HB2       GLN   9   4.235  11.197  16.110
   69   2HB   GLN   9          HB3       GLN   9   2.794  11.505  17.085
   70   1HG   GLN   9          HG2       GLN   9   5.642  11.674  18.186
   71   2HG   GLN   9          HG3       GLN   9   4.724  13.047  17.587
   72   1HE2  GLN   9          HE22      GLN   9   5.142  10.813  20.333
   73   2HE2  GLN   9          HE21      GLN   9   3.967  11.613  21.353
   74    H    SER  10           H        SER  10   4.256   8.309  15.450
   75    HA   SER  10           HA       SER  10   1.394   7.471  15.136
   76   1HB   SER  10          HB2       SER  10   3.257   8.435  12.940
   77   2HB   SER  10          HB3       SER  10   1.538   8.035  12.792
   78    HG   SER  10           HG       SER  10   1.898  10.294  12.969
   79    H    PHE  11           H        PHE  11   4.622   6.328  15.265
   80    HA   PHE  11           HA       PHE  11   4.772   4.377  13.327
   81   1HB   PHE  11          HB2       PHE  11   6.575   5.049  14.879
   82   2HB   PHE  11          HB3       PHE  11   5.745   4.267  16.217
   83    HD1  PHE  11           HD1      PHE  11   7.697   3.789  13.124
   84    HD2  PHE  11           HD2      PHE  11   5.737   1.789  16.410
   85    HE1  PHE  11           HE1      PHE  11   8.912   1.717  12.585
   86    HE2  PHE  11           HE2      PHE  11   6.928  -0.309  15.831
   87    HZ   PHE  11           HZ       PHE  11   8.534  -0.351  13.945
   88    H    SER  12           H        SER  12   3.258   4.003  16.591
   89    HA   SER  12           HA       SER  12   2.602   1.300  16.310
   90   1HB   SER  12          HB2       SER  12   1.060   3.386  17.889
   91   2HB   SER  12          HB3       SER  12   1.189   1.651  18.233
   92    HG   SER  12           HG       SER  12   2.599   2.967  19.518
   93    H    ALA  13           H        ALA  13   0.819   4.181  15.215
   94    HA   ALA  13           HA       ALA  13  -1.576   2.737  14.539
   95   1HB   ALA  13          HB1       ALA  13  -2.201   4.789  13.329
   96   2HB   ALA  13          HB2       ALA  13  -1.600   5.179  14.951
   97   3HB   ALA  13          HB3       ALA  13  -0.563   5.434  13.526
   98    H    GLU  14           H        GLU  14   1.326   3.822  12.759
   99    HA   GLU  14           HA       GLU  14   0.438   2.916  10.217
  100   1HB   GLU  14          HB2       GLU  14   3.241   3.404  11.315
  101   2HB   GLU  14          HB3       GLU  14   2.950   2.904   9.656
  102   1HG   GLU  14          HG2       GLU  14   1.972   5.471  10.950
  103   2HG   GLU  14          HG3       GLU  14   3.259   5.305   9.754
  104    H    THR  15           H        THR  15   2.157   1.208  12.834
  105    HA   THR  15           HA       THR  15   2.552  -1.138  11.213
  106    HB   THR  15           HB       THR  15   3.480  -2.028  13.388
  107    HG1  THR  15           HG1      THR  15   3.346   0.674  14.197
  108   1HG2  THR  15          HG21      THR  15   5.490  -0.524  13.293
  109   2HG2  THR  15          HG22      THR  15   4.983  -1.135  11.716
  110   3HG2  THR  15          HG23      THR  15   4.615   0.539  12.182
  111    H    SER  16           H        SER  16  -0.277  -0.066  12.454
  112    HA   SER  16           HA       SER  16  -1.149  -2.722  13.405
  113   1HB   SER  16          HB2       SER  16  -2.377   0.038  13.769
  114   2HB   SER  16          HB3       SER  16  -3.089  -1.479  14.349
  115    HG   SER  16           HG       SER  16  -0.702  -0.207  15.169
  116    H    GLU  17           H        GLU  17  -0.683  -2.226  10.605
  117    HA   GLU  17           HA       GLU  17  -3.412  -2.788   9.558
  118   1HB   GLU  17          HB2       GLU  17  -1.398  -0.889   8.301
  119   2HB   GLU  17          HB3       GLU  17  -2.863  -1.504   7.512
  120   1HG   GLU  17          HG2       GLU  17  -4.196  -0.546   9.462
  121   2HG   GLU  17          HG3       GLU  17  -2.720   0.294   9.956
  122    H    GLY  18           H        GLY  18  -2.101  -4.889  10.283
  123   1HA   GLY  18          HA2       GLY  18  -1.899  -6.973   9.207
  124   2HA   GLY  18          HA3       GLY  18  -1.397  -6.170   7.714
  125    H    VAL  19           H        VAL  19   0.444  -7.529   7.550
  126    HA   VAL  19           HA       VAL  19   2.589  -7.366   9.548
  127    HB   VAL  19           HB       VAL  19   2.600  -8.380   6.670
  128   1HG1  VAL  19          HG11      VAL  19   4.793  -9.409   7.261
  129   2HG1  VAL  19          HG12      VAL  19   4.885  -7.647   7.299
  130   3HG1  VAL  19          HG13      VAL  19   4.763  -8.558   8.819
  131   1HG2  VAL  19          HG21      VAL  19   2.618  -9.880   9.335
  132   2HG2  VAL  19          HG22      VAL  19   1.264  -9.819   8.187
  133   3HG2  VAL  19          HG23      VAL  19   2.772 -10.617   7.727
  134    H    VAL  20           H        VAL  20   4.141  -5.824   9.569
  135    HA   VAL  20           HA       VAL  20   4.396  -3.903   7.334
  136    HB   VAL  20           HB       VAL  20   4.021  -3.178  10.281
  137   1HG1  VAL  20          HG11      VAL  20   5.556  -1.602   9.197
  138   2HG1  VAL  20          HG12      VAL  20   4.450  -1.428   7.818
  139   3HG1  VAL  20          HG13      VAL  20   3.991  -0.819   9.418
  140   1HG2  VAL  20          HG21      VAL  20   1.935  -1.951   9.352
  141   2HG2  VAL  20          HG22      VAL  20   2.151  -2.900   7.881
  142   3HG2  VAL  20          HG23      VAL  20   1.835  -3.708   9.429
  143    H    LEU  21           H        LEU  21   6.563  -3.232   7.128
  144    HA   LEU  21           HA       LEU  21   8.516  -4.638   8.917
  145   1HB   LEU  21          HB2       LEU  21   8.117  -5.605   6.635
  146   2HB   LEU  21          HB3       LEU  21   8.778  -4.118   5.940
  147    HG   LEU  21           HG       LEU  21  10.189  -6.127   7.748
  148   1HD1  LEU  21          HD11      LEU  21  10.654  -5.384   4.842
  149   2HD1  LEU  21          HD12      LEU  21  11.512  -6.638   5.761
  150   3HD1  LEU  21          HD13      LEU  21   9.794  -6.839   5.403
  151   1HD2  LEU  21          HD21      LEU  21  12.302  -4.857   7.130
  152   2HD2  LEU  21          HD22      LEU  21  11.264  -3.516   6.615
  153   3HD2  LEU  21          HD23      LEU  21  11.260  -4.076   8.313
  154    H    ALA  22           H        ALA  22   9.213  -3.052  10.242
  155    HA   ALA  22           HA       ALA  22   9.414  -0.302   9.269
  156   1HB   ALA  22          HB1       ALA  22   8.491  -0.628  11.493
  157   2HB   ALA  22          HB2       ALA  22   9.907  -1.596  11.969
  158   3HB   ALA  22          HB3       ALA  22  10.097   0.135  11.632
  159    H    ASP  23           H        ASP  23  11.387   0.799   9.198
  160    HA   ASP  23           HA       ASP  23  13.909  -0.821   9.167
  161   1HB   ASP  23          HB2       ASP  23  13.359  -0.523   6.885
  162   2HB   ASP  23          HB3       ASP  23  12.810   1.131   7.137
  163    H    PHE  24           H        PHE  24  14.647  -0.119  11.103
  164    HA   PHE  24           HA       PHE  24  14.555   2.684  11.970
  165   1HB   PHE  24          HB2       PHE  24  15.745   0.140  13.157
  166   2HB   PHE  24          HB3       PHE  24  16.016   1.746  13.818
  167    HD1  PHE  24           HD1      PHE  24  13.162  -0.519  12.784
  168    HD2  PHE  24           HD2      PHE  24  14.530   2.603  15.430
  169    HE1  PHE  24           HE1      PHE  24  10.942  -0.455  13.877
  170    HE2  PHE  24           HE2      PHE  24  12.306   2.657  16.504
  171    HZ   PHE  24           HZ       PHE  24  10.480   1.180  15.669
  172    H    TRP  25           H        TRP  25  15.898   4.070  11.100
  173    HA   TRP  25           HA       TRP  25  18.604   3.371  10.323
  174   1HB   TRP  25          HB2       TRP  25  18.241   3.141   8.144
  175   2HB   TRP  25          HB3       TRP  25  16.529   3.123   8.433
  176    HD1  TRP  25           HD1      TRP  25  19.167   5.009   6.653
  177    HE1  TRP  25           HE1      TRP  25  18.188   7.059   5.480
  178    HE3  TRP  25           HE3      TRP  25  14.699   5.297   9.099
  179    HZ2  TRP  25           HZ2      TRP  25  15.956   8.848   5.846
  180    HZ3  TRP  25           HZ3      TRP  25  13.213   7.277   8.764
  181    HH2  TRP  25           HH2      TRP  25  13.858   9.066   7.161
  182    H    ALA  26           H        ALA  26  19.346   5.665   9.060
  183    HA   ALA  26           HA       ALA  26  17.994   7.996   9.994
  184   1HB   ALA  26          HB1       ALA  26  19.343   7.587  12.040
  185   2HB   ALA  26          HB2       ALA  26  20.810   7.430  11.040
  186   3HB   ALA  26          HB3       ALA  26  19.952   8.991  11.160
  187    HA   PRO  27           HA       PRO  27  19.909   8.778   6.102
  188   1HB   PRO  27          HB2       PRO  27  19.906  11.533   5.862
  189   2HB   PRO  27          HB3       PRO  27  18.504  10.452   5.631
  190   1HG   PRO  27          HG2       PRO  27  19.246  12.069   8.078
  191   2HG   PRO  27          HG3       PRO  27  17.620  11.803   7.366
  192   1HD   PRO  27          HD2       PRO  27  18.559  10.415   9.548
  193   2HD   PRO  27          HD3       PRO  27  17.417   9.705   8.366
  194    H    TRP  28           H        TRP  28  21.569   9.884   8.984
  195    HA   TRP  28           HA       TRP  28  23.991  10.629   7.592
  196   1HB   TRP  28          HB2       TRP  28  25.091  10.528   9.692
  197   2HB   TRP  28          HB3       TRP  28  23.546  11.317   9.918
  198    HD1  TRP  28           HD1      TRP  28  21.901  10.259  11.622
  199    HE1  TRP  28           HE1      TRP  28  22.029   8.396  13.354
  200    HE3  TRP  28           HE3      TRP  28  26.263   8.045  10.094
  201    HZ2  TRP  28           HZ2      TRP  28  23.724   6.112  13.916
  202    HZ3  TRP  28           HZ3      TRP  28  27.087   6.006  11.225
  203    HH2  TRP  28           HH2      TRP  28  25.824   5.022  13.129
  204    H    CYS  29           H        CYS  29  22.414   7.604   8.191
  205    HA   CYS  29           HA       CYS  29  24.514   5.869   8.758
  206   1HB   CYS  29          HB2       CYS  29  21.998   5.493   8.905
  207   2HB   CYS  29          HB3       CYS  29  21.990   5.331   7.178
  208    H    GLY  30           H        GLY  30  25.787   4.486   7.491
  209   1HA   GLY  30          HA2       GLY  30  26.094   5.082   4.592
  210   2HA   GLY  30          HA3       GLY  30  27.218   4.189   5.622
  211    HA   PRO  31           HA       PRO  31  25.580   0.376   4.442
  212   1HB   PRO  31          HB2       PRO  31  24.737  -1.101   6.640
  213   2HB   PRO  31          HB3       PRO  31  26.439  -0.783   6.196
  214   1HG   PRO  31          HG2       PRO  31  24.743   0.658   8.237
  215   2HG   PRO  31          HG3       PRO  31  26.450   0.142   8.367
  216   1HD   PRO  31          HD2       PRO  31  25.706   2.696   7.766
  217   2HD   PRO  31          HD3       PRO  31  27.187   1.970   7.069
  218    H    CYS  32           H        CYS  32  23.177   2.106   6.408
  219    HA   CYS  32           HA       CYS  32  20.873   0.681   5.638
  220   1HB   CYS  32          HB2       CYS  32  20.997   3.686   5.932
  221   2HB   CYS  32          HB3       CYS  32  19.623   2.620   6.169
  222    H    LYS  33           H        LYS  33  22.862   3.009   3.785
  223    HA   LYS  33           HA       LYS  33  20.881   3.492   1.763
  224   1HB   LYS  33          HB2       LYS  33  23.892   3.763   1.468
  225   2HB   LYS  33          HB3       LYS  33  22.645   4.604   0.555
  226   1HG   LYS  33          HG2       LYS  33  23.304   5.002   3.504
  227   2HG   LYS  33          HG3       LYS  33  23.744   6.071   2.182
  228   1HD   LYS  33          HD2       LYS  33  21.420   6.700   1.818
  229   2HD   LYS  33          HD3       LYS  33  20.850   5.461   2.939
  230   1HE   LYS  33          HE2       LYS  33  20.784   7.676   4.006
  231   2HE   LYS  33          HE3       LYS  33  21.896   6.567   4.838
  232   1HZ   LYS  33          HZ1       LYS  33  22.862   8.555   2.874
  233   2HZ   LYS  33          HZ2       LYS  33  22.719   8.868   4.479
  234   3HZ   LYS  33          HZ3       LYS  33  23.719   7.679   3.997
  235    H    MET  34           H        MET  34  23.109   0.833   2.367
  236    HA   MET  34           HA       MET  34  23.135  -0.162  -0.332
  237   1HB   MET  34          HB2       MET  34  23.569  -1.694   2.256
  238   2HB   MET  34          HB3       MET  34  24.025  -2.211   0.632
  239   1HG   MET  34          HG2       MET  34  25.573  -0.225   0.509
  240   2HG   MET  34          HG3       MET  34  25.198   0.116   2.196
  241   1HE   MET  34          HE1       MET  34  25.422  -1.924   4.073
  242   2HE   MET  34          HE2       MET  34  25.090  -3.331   3.044
  243   3HE   MET  34          HE3       MET  34  26.626  -3.224   3.923
  244    H    ILE  35           H        ILE  35  21.155  -0.786   2.598
  245    HA   ILE  35           HA       ILE  35  19.625  -2.809   1.201
  246    HB   ILE  35           HB       ILE  35  20.280  -3.070   3.542
  247   1HG1  ILE  35          HG12      ILE  35  17.267  -3.127   3.147
  248   2HG1  ILE  35          HG13      ILE  35  18.414  -4.348   2.575
  249   1HG2  ILE  35          HG21      ILE  35  19.131  -1.878   5.351
  250   2HG2  ILE  35          HG22      ILE  35  20.041  -0.789   4.326
  251   3HG2  ILE  35          HG23      ILE  35  18.267  -0.878   4.161
  252   1HD1  ILE  35          HD11      ILE  35  19.104  -4.657   5.018
  253   2HD1  ILE  35          HD12      ILE  35  17.709  -3.635   5.436
  254   3HD1  ILE  35          HD13      ILE  35  17.462  -5.174   4.599
  255    H    ALA  36           H        ALA  36  19.229   0.660   1.769
  256    HA   ALA  36           HA       ALA  36  16.526   0.982   1.554
  257   1HB   ALA  36          HB1       ALA  36  18.053   2.832   1.886
  258   2HB   ALA  36          HB2       ALA  36  18.671   2.686   0.229
  259   3HB   ALA  36          HB3       ALA  36  16.987   3.173   0.510
  260    HA   PRO  37           HA       PRO  37  16.267   0.590  -3.181
  261   1HB   PRO  37          HB2       PRO  37  18.214  -0.739  -4.615
  262   2HB   PRO  37          HB3       PRO  37  18.182   1.032  -4.360
  263   1HG   PRO  37          HG2       PRO  37  19.724  -1.049  -2.783
  264   2HG   PRO  37          HG3       PRO  37  20.326   0.499  -3.457
  265   1HD   PRO  37          HD2       PRO  37  19.599   0.309  -0.872
  266   2HD   PRO  37          HD3       PRO  37  19.185   1.765  -1.815
  267    H    VAL  38           H        VAL  38  17.725  -1.959  -1.200
  268    HA   VAL  38           HA       VAL  38  16.415  -4.125  -2.567
  269    HB   VAL  38           HB       VAL  38  17.504  -4.103   0.272
  270   1HG1  VAL  38          HG11      VAL  38  16.999  -6.352  -1.725
  271   2HG1  VAL  38          HG12      VAL  38  17.801  -6.523  -0.135
  272   3HG1  VAL  38          HG13      VAL  38  16.108  -6.042  -0.213
  273   1HG2  VAL  38          HG21      VAL  38  18.948  -4.769  -2.335
  274   2HG2  VAL  38          HG22      VAL  38  19.323  -3.409  -1.255
  275   3HG2  VAL  38          HG23      VAL  38  19.579  -5.060  -0.700
  276    H    LEU  39           H        LEU  39  15.625  -1.997   0.263
  277    HA   LEU  39           HA       LEU  39  13.097  -3.238   0.761
  278   1HB   LEU  39          HB2       LEU  39  14.049  -0.398   1.302
  279   2HB   LEU  39          HB3       LEU  39  12.514  -1.050   1.858
  280    HG   LEU  39           HG       LEU  39  15.246  -2.142   2.628
  281   1HD1  LEU  39          HD11      LEU  39  14.807   0.090   3.569
  282   2HD1  LEU  39          HD12      LEU  39  13.261  -0.481   4.232
  283   3HD1  LEU  39          HD13      LEU  39  14.796  -1.153   4.828
  284   1HD2  LEU  39          HD21      LEU  39  13.566  -3.932   2.703
  285   2HD2  LEU  39          HD22      LEU  39  13.989  -3.438   4.345
  286   3HD2  LEU  39          HD23      LEU  39  12.458  -2.890   3.623
  287    H    GLU  40           H        GLU  40  14.036  -0.558  -1.469
  288    HA   GLU  40           HA       GLU  40  11.384  -0.122  -2.403
  289   1HB   GLU  40          HB2       GLU  40  14.049   0.215  -3.822
  290   2HB   GLU  40          HB3       GLU  40  12.494   0.678  -4.519
  291   1HG   GLU  40          HG2       GLU  40  12.068   2.192  -2.604
  292   2HG   GLU  40          HG3       GLU  40  13.638   1.782  -1.919
  293    H    GLU  41           H        GLU  41  13.835  -2.514  -3.471
  294    HA   GLU  41           HA       GLU  41  12.222  -3.716  -5.481
  295   1HB   GLU  41          HB2       GLU  41  14.551  -4.614  -3.783
  296   2HB   GLU  41          HB3       GLU  41  13.661  -5.817  -4.695
  297   1HG   GLU  41          HG2       GLU  41  14.854  -3.311  -5.950
  298   2HG   GLU  41          HG3       GLU  41  15.706  -4.851  -5.829
  299    H    LEU  42           H        LEU  42  12.500  -4.394  -1.988
  300    HA   LEU  42           HA       LEU  42  10.717  -6.569  -1.892
  301   1HB   LEU  42          HB2       LEU  42  12.301  -5.391  -0.051
  302   2HB   LEU  42          HB3       LEU  42  10.820  -4.572   0.374
  303    HG   LEU  42           HG       LEU  42  11.572  -7.493   0.571
  304   1HD1  LEU  42          HD11      LEU  42  10.719  -7.172   2.874
  305   2HD1  LEU  42          HD12      LEU  42  11.974  -5.982   2.468
  306   3HD1  LEU  42          HD13      LEU  42  10.261  -5.509   2.476
  307   1HD2  LEU  42          HD21      LEU  42   8.705  -6.495   0.649
  308   2HD2  LEU  42          HD22      LEU  42   9.396  -7.701  -0.458
  309   3HD2  LEU  42          HD23      LEU  42   9.249  -8.073   1.263
  310    H    ASP  43           H        ASP  43  10.095  -3.041  -1.567
  311    HA   ASP  43           HA       ASP  43   7.324  -3.158  -1.091
  312   1HB   ASP  43          HB2       ASP  43   8.784  -1.105  -0.929
  313   2HB   ASP  43          HB3       ASP  43   8.795  -1.031  -2.703
  314    H    GLN  44           H        GLN  44   9.140  -3.047  -4.150
  315    HA   GLN  44           HA       GLN  44   6.789  -2.978  -5.799
  316   1HB   GLN  44          HB2       GLN  44   9.720  -3.519  -6.370
  317   2HB   GLN  44          HB3       GLN  44   8.487  -3.439  -7.637
  318   1HG   GLN  44          HG2       GLN  44   7.930  -1.152  -7.110
  319   2HG   GLN  44          HG3       GLN  44   8.905  -1.162  -5.640
  320   1HE2  GLN  44          HE22      GLN  44  11.230  -1.330  -5.841
  321   2HE2  GLN  44          HE21      GLN  44  12.056  -0.761  -7.293
  322    H    GLU  45           H        GLU  45   8.146  -5.545  -4.023
  323    HA   GLU  45           HA       GLU  45   7.131  -7.667  -5.837
  324   1HB   GLU  45          HB2       GLU  45   8.951  -7.649  -3.415
  325   2HB   GLU  45          HB3       GLU  45   8.380  -9.131  -4.166
  326   1HG   GLU  45          HG2       GLU  45   9.803  -7.066  -5.873
  327   2HG   GLU  45          HG3       GLU  45  10.727  -8.065  -4.756
  328    H    MET  46           H        MET  46   6.682  -6.236  -2.604
  329    HA   MET  46           HA       MET  46   4.421  -8.139  -2.122
  330   1HB   MET  46          HB2       MET  46   6.365  -6.935  -0.122
  331   2HB   MET  46          HB3       MET  46   5.118  -8.133   0.213
  332   1HG   MET  46          HG2       MET  46   7.590  -8.515  -1.514
  333   2HG   MET  46          HG3       MET  46   7.324  -9.155   0.101
  334   1HE   MET  46          HE1       MET  46   6.126 -11.230   0.682
  335   2HE   MET  46          HE2       MET  46   4.586 -10.425   0.245
  336   3HE   MET  46          HE3       MET  46   4.930 -12.071  -0.341
  337    H    GLY  47           H        GLY  47   4.982  -4.808  -2.572
  338   1HA   GLY  47          HA2       GLY  47   3.712  -3.585  -0.432
  339   2HA   GLY  47          HA3       GLY  47   3.798  -2.948  -2.080
  340    H    ASP  48           H        ASP  48   2.120  -5.617  -2.670
  341    HA   ASP  48           HA       ASP  48  -0.495  -4.396  -2.679
  342   1HB   ASP  48          HB2       ASP  48   0.187  -6.028  -4.386
  343   2HB   ASP  48          HB3       ASP  48   0.387  -7.267  -3.143
  344    H    LYS  49           H        LYS  49   1.328  -6.472  -0.501
  345    HA   LYS  49           HA       LYS  49  -0.993  -6.683   1.379
  346   1HB   LYS  49          HB2       LYS  49   1.400  -8.552   1.009
  347   2HB   LYS  49          HB3       LYS  49   0.102  -8.754   2.180
  348   1HG   LYS  49          HG2       LYS  49  -0.214  -8.874  -0.846
  349   2HG   LYS  49          HG3       LYS  49  -0.133 -10.252   0.254
  350   1HD   LYS  49          HD2       LYS  49  -2.205  -9.436   1.408
  351   2HD   LYS  49          HD3       LYS  49  -2.327  -8.133   0.202
  352   1HE   LYS  49          HE2       LYS  49  -2.407  -9.833  -1.611
  353   2HE   LYS  49          HE3       LYS  49  -2.325 -11.122  -0.402
  354   1HZ   LYS  49          HZ1       LYS  49  -4.595 -10.704  -1.095
  355   2HZ   LYS  49          HZ2       LYS  49  -4.445 -10.328   0.482
  356   3HZ   LYS  49          HZ3       LYS  49  -4.516  -9.142  -0.644
  357    H    LEU  50           H        LEU  50   2.355  -5.709   0.934
  358    HA   LEU  50           HA       LEU  50   2.811  -5.568   3.840
  359   1HB   LEU  50          HB2       LEU  50   4.372  -6.741   2.251
  360   2HB   LEU  50          HB3       LEU  50   4.680  -5.197   1.460
  361    HG   LEU  50           HG       LEU  50   5.726  -4.329   3.534
  362   1HD1  LEU  50          HD11      LEU  50   5.180  -7.125   4.627
  363   2HD1  LEU  50          HD12      LEU  50   6.245  -5.923   5.385
  364   3HD1  LEU  50          HD13      LEU  50   4.521  -5.605   5.259
  365   1HD2  LEU  50          HD21      LEU  50   7.736  -5.740   3.467
  366   2HD2  LEU  50          HD22      LEU  50   6.831  -6.980   2.566
  367   3HD2  LEU  50          HD23      LEU  50   7.105  -5.373   1.856
  368    H    LYS  51           H        LYS  51   3.889  -3.682   4.744
  369    HA   LYS  51           HA       LYS  51   3.831  -1.156   3.221
  370   1HB   LYS  51          HB2       LYS  51   1.807  -1.146   4.722
  371   2HB   LYS  51          HB3       LYS  51   2.847  -1.532   6.094
  372   1HG   LYS  51          HG2       LYS  51   4.121   0.662   5.551
  373   2HG   LYS  51          HG3       LYS  51   2.788   1.042   4.463
  374   1HD   LYS  51          HD2       LYS  51   2.591   0.493   7.463
  375   2HD   LYS  51          HD3       LYS  51   2.615   2.089   6.708
  376   1HE   LYS  51          HE2       LYS  51   0.502   1.535   5.489
  377   2HE   LYS  51          HE3       LYS  51   0.450  -0.035   6.320
  378   1HZ   LYS  51          HZ1       LYS  51   0.342   1.144   8.412
  379   2HZ   LYS  51          HZ2       LYS  51   0.427   2.607   7.660
  380   3HZ   LYS  51          HZ3       LYS  51  -0.898   1.650   7.448
  381    H    ILE  52           H        ILE  52   5.728   0.060   3.792
  382    HA   ILE  52           HA       ILE  52   7.598  -1.321   5.653
  383    HB   ILE  52           HB       ILE  52   8.240   0.032   3.017
  384   1HG1  ILE  52          HG12      ILE  52   8.515  -2.865   3.933
  385   2HG1  ILE  52          HG13      ILE  52   7.359  -2.247   2.756
  386   1HG2  ILE  52          HG21      ILE  52  10.602  -0.447   3.459
  387   2HG2  ILE  52          HG22      ILE  52   9.966   0.566   4.742
  388   3HG2  ILE  52          HG23      ILE  52  10.192  -1.175   5.025
  389   1HD1  ILE  52          HD11      ILE  52   9.060  -3.308   1.514
  390   2HD1  ILE  52          HD12      ILE  52   9.303  -1.565   1.292
  391   3HD1  ILE  52          HD13      ILE  52  10.355  -2.486   2.393
  392    H    VAL  53           H        VAL  53   8.549   0.091   7.171
  393    HA   VAL  53           HA       VAL  53   7.545   2.919   7.099
  394    HB   VAL  53           HB       VAL  53   7.254   0.907   9.368
  395   1HG1  VAL  53          HG11      VAL  53   6.581   3.887   9.284
  396   2HG1  VAL  53          HG12      VAL  53   6.123   2.765  10.587
  397   3HG1  VAL  53          HG13      VAL  53   7.825   3.131  10.304
  398   1HG2  VAL  53          HG21      VAL  53   5.187   2.440   7.726
  399   2HG2  VAL  53          HG22      VAL  53   5.512   0.702   7.633
  400   3HG2  VAL  53          HG23      VAL  53   4.842   1.392   9.114
  401    H    LYS  54           H        LYS  54   9.475   3.884   6.664
  402    HA   LYS  54           HA       LYS  54  11.921   3.064   8.066
  403   1HB   LYS  54          HB2       LYS  54  11.332   5.488   6.314
  404   2HB   LYS  54          HB3       LYS  54  12.922   5.005   6.924
  405   1HG   LYS  54          HG2       LYS  54  12.757   2.872   5.658
  406   2HG   LYS  54          HG3       LYS  54  11.173   3.337   5.056
  407   1HD   LYS  54          HD2       LYS  54  12.900   3.726   3.362
  408   2HD   LYS  54          HD3       LYS  54  12.100   5.217   3.846
  409   1HE   LYS  54          HE2       LYS  54  14.413   5.703   3.629
  410   2HE   LYS  54          HE3       LYS  54  14.020   5.759   5.346
  411   1HZ   LYS  54          HZ1       LYS  54  16.069   4.575   5.047
  412   2HZ   LYS  54          HZ2       LYS  54  14.980   3.434   5.488
  413   3HZ   LYS  54          HZ3       LYS  54  15.434   3.570   3.927
  414    H    ILE  55           H        ILE  55  12.782   4.110   9.900
  415    HA   ILE  55           HA       ILE  55  11.412   6.526  10.885
  416    HB   ILE  55           HB       ILE  55  10.109   4.876  11.920
  417   1HG1  ILE  55          HG12      ILE  55  12.109   5.721  14.051
  418   2HG1  ILE  55          HG13      ILE  55  11.006   6.850  13.262
  419   1HG2  ILE  55          HG21      ILE  55  11.533   2.867  11.691
  420   2HG2  ILE  55          HG22      ILE  55  12.607   3.491  12.963
  421   3HG2  ILE  55          HG23      ILE  55  10.933   3.052  13.335
  422   1HD1  ILE  55          HD11      ILE  55  10.162   4.433  14.908
  423   2HD1  ILE  55          HD12      ILE  55  10.063   6.136  15.382
  424   3HD1  ILE  55          HD13      ILE  55   9.060   5.541  14.051
  425    H    ASP  56           H        ASP  56  12.757   7.955  11.602
  426    HA   ASP  56           HA       ASP  56  15.602   7.464  11.244
  427   1HB   ASP  56          HB2       ASP  56  14.568   9.384  10.206
  428   2HB   ASP  56          HB3       ASP  56  14.004   9.981  11.771
  429    H    VAL  57           H        VAL  57  16.622   6.558  13.012
  430    HA   VAL  57           HA       VAL  57  15.652   6.814  15.672
  431    HB   VAL  57           HB       VAL  57  17.671   5.687  16.377
  432   1HG1  VAL  57          HG11      VAL  57  16.664   4.480  13.764
  433   2HG1  VAL  57          HG12      VAL  57  17.373   3.625  15.151
  434   3HG1  VAL  57          HG13      VAL  57  15.802   4.434  15.314
  435   1HG2  VAL  57          HG21      VAL  57  19.454   5.023  14.845
  436   2HG2  VAL  57          HG22      VAL  57  18.711   5.943  13.527
  437   3HG2  VAL  57          HG23      VAL  57  19.372   6.785  14.942
  438    H    ASP  58           H        ASP  58  17.571   9.085  13.819
  439    HA   ASP  58           HA       ASP  58  18.919  10.304  16.071
  440   1HB   ASP  58          HB2       ASP  58  19.653  10.555  13.701
  441   2HB   ASP  58          HB3       ASP  58  18.200  11.515  13.382
  442    H    GLU  59           H        GLU  59  15.628  10.309  15.020
  443    HA   GLU  59           HA       GLU  59  15.014  12.544  16.919
  444   1HB   GLU  59          HB2       GLU  59  13.596  11.756  14.344
  445   2HB   GLU  59          HB3       GLU  59  13.006  12.952  15.507
  446   1HG   GLU  59          HG2       GLU  59  15.177  14.227  15.176
  447   2HG   GLU  59          HG3       GLU  59  15.530  13.150  13.824
  448    H    ASN  60           H        ASN  60  15.020   9.272  16.740
  449    HA   ASN  60           HA       ASN  60  12.500   8.938  18.288
  450   1HB   ASN  60          HB2       ASN  60  13.257   7.334  15.808
  451   2HB   ASN  60          HB3       ASN  60  11.951   6.937  16.912
  452   1HD2  ASN  60          HD22      ASN  60  12.917   9.049  14.306
  453   2HD2  ASN  60          HD21      ASN  60  11.363   9.842  14.117
  454    H    GLN  61           H        GLN  61  15.097   9.021  19.378
  455    HA   GLN  61           HA       GLN  61  16.294   6.516  19.834
  456   1HB   GLN  61          HB2       GLN  61  15.900   8.802  21.823
  457   2HB   GLN  61          HB3       GLN  61  17.009   7.445  21.998
  458   1HG   GLN  61          HG2       GLN  61  18.512   8.919  21.166
  459   2HG   GLN  61          HG3       GLN  61  17.912   8.285  19.635
  460   1HE2  GLN  61          HE22      GLN  61  17.149   9.741  18.172
  461   2HE2  GLN  61          HE21      GLN  61  16.899  11.444  18.495
  462    H    GLU  62           H        GLU  62  13.261   7.873  21.129
  463    HA   GLU  62           HA       GLU  62  12.929   6.063  23.277
  464   1HB   GLU  62          HB2       GLU  62  10.726   7.402  21.625
  465   2HB   GLU  62          HB3       GLU  62  10.608   6.762  23.260
  466   1HG   GLU  62          HG2       GLU  62  10.858   8.928  23.822
  467   2HG   GLU  62          HG3       GLU  62  12.568   8.541  23.734
  468    H    THR  63           H        THR  63  11.595   5.949  19.893
  469    HA   THR  63           HA       THR  63  10.365   3.433  20.242
  470    HB   THR  63           HB       THR  63  11.300   4.359  17.571
  471    HG1  THR  63           HG1      THR  63   9.706   5.993  17.545
  472   1HG2  THR  63          HG21      THR  63   8.552   3.507  18.576
  473   2HG2  THR  63          HG22      THR  63   9.003   3.802  16.879
  474   3HG2  THR  63          HG23      THR  63   9.727   2.457  17.759
  475    H    ALA  64           H        ALA  64  13.612   4.380  19.009
  476    HA   ALA  64           HA       ALA  64  14.520   1.767  18.338
  477   1HB   ALA  64          HB1       ALA  64  16.047   4.175  19.462
  478   2HB   ALA  64          HB2       ALA  64  16.801   2.769  18.707
  479   3HB   ALA  64          HB3       ALA  64  15.754   3.830  17.744
  480    H    GLY  65           H        GLY  65  14.620   3.523  21.489
  481   1HA   GLY  65          HA2       GLY  65  15.869   1.477  22.998
  482   2HA   GLY  65          HA3       GLY  65  14.831   2.776  23.617
  483    H    LYS  66           H        LYS  66  12.503   1.903  21.964
  484    HA   LYS  66           HA       LYS  66  11.142   0.276  23.769
  485   1HB   LYS  66          HB2       LYS  66  10.261   1.815  21.920
  486   2HB   LYS  66          HB3       LYS  66  10.516   0.469  20.809
  487   1HG   LYS  66          HG2       LYS  66   8.931  -0.923  21.946
  488   2HG   LYS  66          HG3       LYS  66   8.811   0.205  23.316
  489   1HD   LYS  66          HD2       LYS  66   7.773   1.894  21.950
  490   2HD   LYS  66          HD3       LYS  66   8.072   0.970  20.467
  491   1HE   LYS  66          HE2       LYS  66   6.594  -0.856  21.330
  492   2HE   LYS  66          HE3       LYS  66   6.251   0.119  22.765
  493   1HZ   LYS  66          HZ1       LYS  66   4.519   0.353  21.106
  494   2HZ   LYS  66          HZ2       LYS  66   5.260   1.789  21.297
  495   3HZ   LYS  66          HZ3       LYS  66   5.574   0.871  19.977
  496    H    TYR  67           H        TYR  67  13.176  -0.686  21.011
  497    HA   TYR  67           HA       TYR  67  12.699  -3.549  21.758
  498   1HB   TYR  67          HB2       TYR  67  13.659  -2.757  19.039
  499   2HB   TYR  67          HB3       TYR  67  12.768  -4.184  19.537
  500    HD1  TYR  67           HD1      TYR  67  10.251  -3.869  20.173
  501    HD2  TYR  67           HD2      TYR  67  12.605  -0.813  18.240
  502    HE1  TYR  67           HE1      TYR  67   8.175  -2.669  19.526
  503    HE2  TYR  67           HE2      TYR  67  10.593   0.412  17.676
  504    HH   TYR  67           HH       TYR  67   8.221   0.428  17.719
  505    H    GLY  68           H        GLY  68  14.937  -1.266  22.334
  506   1HA   GLY  68          HA2       GLY  68  17.180  -1.261  22.748
  507   2HA   GLY  68          HA3       GLY  68  17.124  -3.033  22.751
  508    H    VAL  69           H        VAL  69  16.397  -0.726  20.087
  509    HA   VAL  69           HA       VAL  69  18.016  -2.104  18.123
  510    HB   VAL  69           HB       VAL  69  16.699   0.639  18.148
  511   1HG1  VAL  69          HG11      VAL  69  16.903   0.505  15.653
  512   2HG1  VAL  69          HG12      VAL  69  18.451   0.694  16.478
  513   3HG1  VAL  69          HG13      VAL  69  17.978  -0.897  15.866
  514   1HG2  VAL  69          HG21      VAL  69  14.999  -0.471  16.671
  515   2HG2  VAL  69          HG22      VAL  69  15.793  -2.026  16.988
  516   3HG2  VAL  69          HG23      VAL  69  15.033  -1.116  18.306
  517    H    MET  70           H        MET  70  20.043  -2.345  18.878
  518    HA   MET  70           HA       MET  70  21.568  -0.325  20.177
  519   1HB   MET  70          HB2       MET  70  23.331  -1.946  20.144
  520   2HB   MET  70          HB3       MET  70  21.819  -2.753  20.540
  521   1HG   MET  70          HG2       MET  70  23.292  -2.830  17.884
  522   2HG   MET  70          HG3       MET  70  23.260  -4.102  19.079
  523   1HE   MET  70          HE1       MET  70  19.771  -5.718  18.723
  524   2HE   MET  70          HE2       MET  70  21.435  -5.920  19.315
  525   3HE   MET  70          HE3       MET  70  20.407  -4.630  19.976
  526    H    SER  71           H        SER  71  21.217  -1.253  16.822
  527    HA   SER  71           HA       SER  71  23.086   0.801  15.885
  528   1HB   SER  71          HB2       SER  71  23.251  -2.159  15.138
  529   2HB   SER  71          HB3       SER  71  24.202  -0.862  14.398
  530    HG   SER  71           HG       SER  71  25.384  -1.940  16.008
  531    H    ILE  72           H        ILE  72  22.995   0.698  13.314
  532    HA   ILE  72           HA       ILE  72  20.361  -0.101  12.326
  533    HB   ILE  72           HB       ILE  72  20.110   2.029  11.115
  534   1HG1  ILE  72          HG12      ILE  72  22.240   3.173  12.985
  535   2HG1  ILE  72          HG13      ILE  72  22.510   2.805  11.283
  536   1HG2  ILE  72          HG21      ILE  72  18.913   1.498  13.262
  537   2HG2  ILE  72          HG22      ILE  72  20.124   2.463  14.127
  538   3HG2  ILE  72          HG23      ILE  72  19.060   3.222  12.926
  539   1HD1  ILE  72          HD11      ILE  72  22.081   5.182  11.537
  540   2HD1  ILE  72          HD12      ILE  72  20.758   4.422  10.639
  541   3HD1  ILE  72          HD13      ILE  72  20.542   4.871  12.345
  542    HA   PRO  73           HA       PRO  73  19.460   0.324   9.928
  543   1HB   PRO  73          HB2       PRO  73  19.028  -1.612   8.054
  544   2HB   PRO  73          HB3       PRO  73  19.692  -0.003   7.655
  545   1HG   PRO  73          HG2       PRO  73  21.204  -2.593   8.100
  546   2HG   PRO  73          HG3       PRO  73  21.414  -1.408   6.774
  547   1HD   PRO  73          HD2       PRO  73  23.027  -1.428   8.982
  548   2HD   PRO  73          HD3       PRO  73  22.554   0.097   8.181
  549    H    THR  74           H        THR  74  17.841  -0.715  11.019
  550    HA   THR  74           HA       THR  74  18.171  -3.600  11.707
  551    HB   THR  74           HB       THR  74  17.641  -1.295  13.613
  552    HG1  THR  74           HG1      THR  74  19.598  -1.720  14.147
  553   1HG2  THR  74          HG21      THR  74  17.356  -3.094  15.379
  554   2HG2  THR  74          HG22      THR  74  16.004  -2.937  14.251
  555   3HG2  THR  74          HG23      THR  74  17.159  -4.270  14.071
  556    H    LEU  75           H        LEU  75  16.240  -4.727  11.618
  557    HA   LEU  75           HA       LEU  75  13.969  -3.193  10.453
  558   1HB   LEU  75          HB2       LEU  75  14.810  -6.027   9.820
  559   2HB   LEU  75          HB3       LEU  75  13.375  -5.212   9.258
  560    HG   LEU  75           HG       LEU  75  14.707  -5.057   7.453
  561   1HD1  LEU  75          HD11      LEU  75  15.465  -2.435   8.706
  562   2HD1  LEU  75          HD12      LEU  75  15.356  -2.831   6.984
  563   3HD1  LEU  75          HD13      LEU  75  13.886  -2.823   7.976
  564   1HD2  LEU  75          HD21      LEU  75  17.165  -4.313   9.088
  565   2HD2  LEU  75          HD22      LEU  75  16.786  -5.944   8.496
  566   3HD2  LEU  75          HD23      LEU  75  17.097  -4.641   7.352
  567    H    LEU  76           H        LEU  76  12.002  -3.528  11.407
  568    HA   LEU  76           HA       LEU  76  11.750  -5.651  13.523
  569   1HB   LEU  76          HB2       LEU  76  10.884  -2.732  13.563
  570   2HB   LEU  76          HB3       LEU  76  10.003  -3.945  14.456
  571    HG   LEU  76           HG       LEU  76  11.572  -2.597  15.840
  572   1HD1  LEU  76          HD11      LEU  76  12.074  -5.607  15.722
  573   2HD1  LEU  76          HD12      LEU  76  12.495  -4.547  17.082
  574   3HD1  LEU  76          HD13      LEU  76  10.803  -4.762  16.621
  575   1HD2  LEU  76          HD21      LEU  76  13.914  -2.885  15.792
  576   2HD2  LEU  76          HD22      LEU  76  13.830  -4.161  14.567
  577   3HD2  LEU  76          HD23      LEU  76  13.430  -2.491  14.131
  578    H    VAL  77           H        VAL  77  10.252  -7.058  12.772
  579    HA   VAL  77           HA       VAL  77   8.376  -6.114  10.648
  580    HB   VAL  77           HB       VAL  77   8.670  -8.982  11.539
  581   1HG1  VAL  77          HG11      VAL  77   7.745  -9.442   9.312
  582   2HG1  VAL  77          HG12      VAL  77   6.701  -8.323  10.203
  583   3HG1  VAL  77          HG13      VAL  77   7.766  -7.707   8.924
  584   1HG2  VAL  77          HG21      VAL  77  10.164  -9.376   9.555
  585   2HG2  VAL  77          HG22      VAL  77  10.340  -7.619   9.380
  586   3HG2  VAL  77          HG23      VAL  77  10.947  -8.439  10.830
  587    H    LEU  78           H        LEU  78   6.398  -5.577  11.425
  588    HA   LEU  78           HA       LEU  78   5.596  -6.582  14.108
  589   1HB   LEU  78          HB2       LEU  78   4.928  -3.905  12.799
  590   2HB   LEU  78          HB3       LEU  78   4.104  -4.576  14.197
  591    HG   LEU  78           HG       LEU  78   6.568  -4.734  15.203
  592   1HD1  LEU  78          HD11      LEU  78   7.922  -2.755  14.595
  593   2HD1  LEU  78          HD12      LEU  78   7.776  -3.897  13.256
  594   3HD1  LEU  78          HD13      LEU  78   6.816  -2.415  13.248
  595   1HD2  LEU  78          HD21      LEU  78   4.689  -3.478  16.192
  596   2HD2  LEU  78          HD22      LEU  78   6.234  -2.643  16.357
  597   3HD2  LEU  78          HD23      LEU  78   5.065  -2.104  15.138
  598    H    LYS  79           H        LYS  79   3.385  -7.087  14.302
  599    HA   LYS  79           HA       LYS  79   1.846  -7.430  11.774
  600   1HB   LYS  79          HB2       LYS  79   2.947  -9.586  12.380
  601   2HB   LYS  79          HB3       LYS  79   2.198  -9.507  13.983
  602   1HG   LYS  79          HG2       LYS  79  -0.068  -9.499  12.800
  603   2HG   LYS  79          HG3       LYS  79   0.805  -9.710  11.280
  604   1HD   LYS  79          HD2       LYS  79  -0.009 -11.868  12.001
  605   2HD   LYS  79          HD3       LYS  79   1.745 -11.843  12.106
  606   1HE   LYS  79          HE2       LYS  79   0.890 -12.989  14.032
  607   2HE   LYS  79          HE3       LYS  79   1.611 -11.473  14.564
  608   1HZ   LYS  79          HZ1       LYS  79  -1.298 -11.945  14.199
  609   2HZ   LYS  79          HZ2       LYS  79  -0.525 -11.919  15.629
  610   3HZ   LYS  79          HZ3       LYS  79  -0.635 -10.552  14.750
  611    H    ASP  80           H        ASP  80   0.185  -6.086  12.097
  612    HA   ASP  80           HA       ASP  80  -1.508  -4.952  13.031
  613   1HB   ASP  80          HB2       ASP  80  -2.441  -7.219  12.903
  614   2HB   ASP  80          HB3       ASP  80  -1.931  -7.533  14.563
  615    H    GLY  81           H        GLY  81   0.883  -4.233  14.139
  616   1HA   GLY  81          HA2       GLY  81   1.148  -2.446  15.572
  617   2HA   GLY  81          HA3       GLY  81  -0.113  -3.053  16.636
  618    H    GLU  82           H        GLU  82   1.852  -5.760  16.282
  619    HA   GLU  82           HA       GLU  82   3.754  -4.876  18.392
  620   1HB   GLU  82          HB2       GLU  82   3.252  -6.787  19.674
  621   2HB   GLU  82          HB3       GLU  82   1.712  -6.034  19.228
  622   1HG   GLU  82          HG2       GLU  82   1.367  -7.743  17.478
  623   2HG   GLU  82          HG3       GLU  82   2.897  -8.512  17.911
  624    H    VAL  83           H        VAL  83   5.761  -6.069  18.470
  625    HA   VAL  83           HA       VAL  83   6.825  -6.697  15.881
  626    HB   VAL  83           HB       VAL  83   8.017  -7.335  18.599
  627   1HG1  VAL  83          HG11      VAL  83   9.281  -6.894  15.841
  628   2HG1  VAL  83          HG12      VAL  83  10.173  -7.122  17.361
  629   3HG1  VAL  83          HG13      VAL  83   9.190  -8.434  16.721
  630   1HG2  VAL  83          HG21      VAL  83   9.214  -5.183  18.376
  631   2HG2  VAL  83          HG22      VAL  83   8.257  -4.783  16.937
  632   3HG2  VAL  83          HG23      VAL  83   7.480  -4.927  18.530
  633    H    VAL  84           H        VAL  84   6.966  -8.465  14.813
  634    HA   VAL  84           HA       VAL  84   6.322 -11.048  16.113
  635    HB   VAL  84           HB       VAL  84   4.660 -10.003  14.452
  636   1HG1  VAL  84          HG11      VAL  84   6.169  -9.356  12.638
  637   2HG1  VAL  84          HG12      VAL  84   6.654 -11.052  12.403
  638   3HG1  VAL  84          HG13      VAL  84   4.992 -10.544  12.076
  639   1HG2  VAL  84          HG21      VAL  84   4.465 -12.251  15.301
  640   2HG2  VAL  84          HG22      VAL  84   4.040 -12.202  13.583
  641   3HG2  VAL  84          HG23      VAL  84   5.625 -12.839  14.093
  642    H    GLU  85           H        GLU  85   8.685  -9.215  14.122
  643    HA   GLU  85           HA       GLU  85  10.608 -11.330  14.752
  644   1HB   GLU  85          HB2       GLU  85  10.032 -10.594  11.850
  645   2HB   GLU  85          HB3       GLU  85  11.526 -11.328  12.355
  646   1HG   GLU  85          HG2       GLU  85   8.788 -12.626  12.607
  647   2HG   GLU  85          HG3       GLU  85   9.926 -12.876  11.312
  648    H    THR  86           H        THR  86  12.884 -10.579  14.263
  649    HA   THR  86           HA       THR  86  13.200  -7.676  13.829
  650    HB   THR  86           HB       THR  86  14.494  -9.190  16.133
  651    HG1  THR  86           HG1      THR  86  12.279  -8.915  16.510
  652   1HG2  THR  86          HG21      THR  86  15.844  -7.286  15.460
  653   2HG2  THR  86          HG22      THR  86  14.422  -6.227  15.433
  654   3HG2  THR  86          HG23      THR  86  15.024  -6.880  16.972
  655    H    SER  87           H        SER  87  15.190  -7.219  12.798
  656    HA   SER  87           HA       SER  87  17.253  -9.318  12.519
  657   1HB   SER  87          HB2       SER  87  16.052  -7.824  10.144
  658   2HB   SER  87          HB3       SER  87  17.359  -9.012  10.096
  659    HG   SER  87           HG       SER  87  15.320  -9.889   9.506
  660    H    VAL  88           H        VAL  88  19.362  -8.341  12.016
  661    HA   VAL  88           HA       VAL  88  19.487  -5.368  12.231
  662    HB   VAL  88           HB       VAL  88  21.150  -7.400  13.761
  663   1HG1  VAL  88          HG11      VAL  88  22.080  -5.423  14.954
  664   2HG1  VAL  88          HG12      VAL  88  22.492  -5.415  13.240
  665   3HG1  VAL  88          HG13      VAL  88  21.201  -4.352  13.845
  666   1HG2  VAL  88          HG21      VAL  88  18.911  -7.233  14.773
  667   2HG2  VAL  88          HG22      VAL  88  20.109  -6.455  15.804
  668   3HG2  VAL  88          HG23      VAL  88  19.043  -5.460  14.794
  669    H    GLY  89           H        GLY  89  21.070  -4.448  10.932
  670   1HA   GLY  89          HA2       GLY  89  22.891  -4.312   9.522
  671   2HA   GLY  89          HA3       GLY  89  23.182  -6.049   9.679
  672    H    PHE  90           H        PHE  90  23.513  -5.347   7.238
  673    HA   PHE  90           HA       PHE  90  21.274  -4.988   5.527
  674   1HB   PHE  90          HB2       PHE  90  23.621  -4.566   4.846
  675   2HB   PHE  90          HB3       PHE  90  23.998  -6.277   5.021
  676    HD1  PHE  90           HD1      PHE  90  23.180  -7.947   3.373
  677    HD2  PHE  90           HD2      PHE  90  22.389  -3.732   2.894
  678    HE1  PHE  90           HE1      PHE  90  22.463  -8.346   1.032
  679    HE2  PHE  90           HE2      PHE  90  21.686  -4.140   0.544
  680    HZ   PHE  90           HZ       PHE  90  21.713  -6.444  -0.384
  681    H    LYS  91           H        LYS  91  20.079  -6.390   4.257
  682    HA   LYS  91           HA       LYS  91  20.174  -9.247   4.796
  683   1HB   LYS  91          HB2       LYS  91  18.559  -7.562   6.412
  684   2HB   LYS  91          HB3       LYS  91  17.460  -8.061   5.156
  685   1HG   LYS  91          HG2       LYS  91  17.308  -9.504   7.091
  686   2HG   LYS  91          HG3       LYS  91  17.841 -10.408   5.670
  687   1HD   LYS  91          HD2       LYS  91  19.038 -11.159   7.666
  688   2HD   LYS  91          HD3       LYS  91  20.157 -10.429   6.529
  689   1HE   LYS  91          HE2       LYS  91  19.696  -8.222   7.968
  690   2HE   LYS  91          HE3       LYS  91  19.156  -9.384   9.188
  691   1HZ   LYS  91          HZ1       LYS  91  21.456  -8.875   9.475
  692   2HZ   LYS  91          HZ2       LYS  91  21.391 -10.431   8.951
  693   3HZ   LYS  91          HZ3       LYS  91  21.809  -9.215   7.908
  694    HA   PRO  92           HA       PRO  92  18.944  -8.692   0.541
  695   1HB   PRO  92          HB2       PRO  92  18.511 -11.267  -0.261
  696   2HB   PRO  92          HB3       PRO  92  20.142 -10.628   0.104
  697   1HG   PRO  92          HG2       PRO  92  18.328 -12.238   1.922
  698   2HG   PRO  92          HG3       PRO  92  20.068 -12.499   1.585
  699   1HD   PRO  92          HD2       PRO  92  19.190 -11.143   3.796
  700   2HD   PRO  92          HD3       PRO  92  20.701 -10.691   2.951
  701    H    LYS  93           H        LYS  93  17.083  -8.780  -0.802
  702    HA   LYS  93           HA       LYS  93  14.583  -8.438   0.443
  703   1HB   LYS  93          HB2       LYS  93  13.635  -8.638  -1.879
  704   2HB   LYS  93          HB3       LYS  93  14.884  -7.425  -1.677
  705   1HG   LYS  93          HG2       LYS  93  16.565  -8.981  -2.680
  706   2HG   LYS  93          HG3       LYS  93  15.297 -10.187  -2.921
  707   1HD   LYS  93          HD2       LYS  93  15.340  -7.398  -4.146
  708   2HD   LYS  93          HD3       LYS  93  15.900  -8.874  -4.946
  709   1HE   LYS  93          HE2       LYS  93  13.545  -9.847  -4.442
  710   2HE   LYS  93          HE3       LYS  93  13.044  -8.180  -4.141
  711   1HZ   LYS  93          HZ1       LYS  93  14.198  -9.195  -6.678
  712   2HZ   LYS  93          HZ2       LYS  93  12.611  -8.931  -6.409
  713   3HZ   LYS  93          HZ3       LYS  93  13.665  -7.661  -6.450
  714    H    GLU  94           H        GLU  94  16.026 -11.419  -0.837
  715    HA   GLU  94           HA       GLU  94  13.625 -12.941  -0.833
  716   1HB   GLU  94          HB2       GLU  94  15.715 -13.568  -2.008
  717   2HB   GLU  94          HB3       GLU  94  16.509 -13.862  -0.454
  718   1HG   GLU  94          HG2       GLU  94  14.894 -15.669   0.045
  719   2HG   GLU  94          HG3       GLU  94  14.013 -15.316  -1.444
  720    H    ALA  95           H        ALA  95  16.173 -12.524   1.707
  721    HA   ALA  95           HA       ALA  95  14.941 -14.265   3.588
  722   1HB   ALA  95          HB1       ALA  95  16.404 -13.133   5.243
  723   2HB   ALA  95          HB2       ALA  95  17.298 -13.584   3.779
  724   3HB   ALA  95          HB3       ALA  95  16.804 -11.891   4.040
  725    H    LEU  96           H        LEU  96  14.737 -10.732   3.084
  726    HA   LEU  96           HA       LEU  96  12.969 -10.237   5.252
  727   1HB   LEU  96          HB2       LEU  96  13.253  -8.718   2.633
  728   2HB   LEU  96          HB3       LEU  96  12.358  -8.162   4.048
  729    HG   LEU  96           HG       LEU  96  15.360  -8.635   3.951
  730   1HD1  LEU  96          HD11      LEU  96  13.742  -6.062   4.144
  731   2HD1  LEU  96          HD12      LEU  96  15.511  -6.201   4.115
  732   3HD1  LEU  96          HD13      LEU  96  14.578  -6.653   2.685
  733   1HD2  LEU  96          HD21      LEU  96  13.589  -7.644   6.226
  734   2HD2  LEU  96          HD22      LEU  96  14.630  -9.084   6.216
  735   3HD2  LEU  96          HD23      LEU  96  15.352  -7.476   6.187
  736    H    GLN  97           H        GLN  97  12.266 -11.092   1.840
  737    HA   GLN  97           HA       GLN  97   9.440 -10.963   2.130
  738   1HB   GLN  97          HB2       GLN  97  11.317 -12.395   0.227
  739   2HB   GLN  97          HB3       GLN  97   9.613 -12.834   0.225
  740   1HG   GLN  97          HG2       GLN  97   8.883 -10.670  -0.329
  741   2HG   GLN  97          HG3       GLN  97  10.487  -9.950  -0.053
  742   1HE2  GLN  97          HE22      GLN  97  12.281 -10.783  -1.439
  743   2HE2  GLN  97          HE21      GLN  97  11.928 -11.219  -3.114
  744    H    GLU  98           H        GLU  98  11.730 -13.667   2.789
  745    HA   GLU  98           HA       GLU  98   9.649 -15.531   3.340
  746   1HB   GLU  98          HB2       GLU  98  12.537 -15.398   4.295
  747   2HB   GLU  98          HB3       GLU  98  11.433 -16.698   4.758
  748   1HG   GLU  98          HG2       GLU  98  11.027 -17.214   2.357
  749   2HG   GLU  98          HG3       GLU  98  12.220 -16.004   1.899
  750    H    LEU  99           H        LEU  99  11.342 -13.208   5.453
  751    HA   LEU  99           HA       LEU  99  10.031 -13.988   7.884
  752   1HB   LEU  99          HB2       LEU  99  11.214 -11.318   7.031
  753   2HB   LEU  99          HB3       LEU  99  10.633 -11.652   8.658
  754    HG   LEU  99           HG       LEU  99  12.837 -13.270   7.318
  755   1HD1  LEU  99          HD11      LEU  99  13.067 -10.953   9.280
  756   2HD1  LEU  99          HD12      LEU  99  14.406 -11.969   8.695
  757   3HD1  LEU  99          HD13      LEU  99  13.533 -10.926   7.564
  758   1HD2  LEU  99          HD21      LEU  99  11.994 -13.073  10.239
  759   2HD2  LEU  99          HD22      LEU  99  11.724 -14.470   9.171
  760   3HD2  LEU  99          HD23      LEU  99  13.366 -14.001   9.608
  761    H    VAL 100           H        VAL 100   9.108 -11.599   5.376
  762    HA   VAL 100           HA       VAL 100   6.674 -10.768   6.603
  763    HB   VAL 100           HB       VAL 100   7.669 -10.902   3.735
  764   1HG1  VAL 100          HG11      VAL 100   5.101  -9.594   4.689
  765   2HG1  VAL 100          HG12      VAL 100   5.872  -9.325   3.104
  766   3HG1  VAL 100          HG13      VAL 100   5.273 -10.929   3.525
  767   1HG2  VAL 100          HG21      VAL 100   7.243  -8.440   5.459
  768   2HG2  VAL 100          HG22      VAL 100   8.787  -9.296   5.364
  769   3HG2  VAL 100          HG23      VAL 100   8.111  -8.591   3.902
  770    H    ASN 101           H        ASN 101   7.403 -13.353   4.267
  771    HA   ASN 101           HA       ASN 101   4.801 -14.136   3.643
  772   1HB   ASN 101          HB2       ASN 101   6.860 -14.719   2.378
  773   2HB   ASN 101          HB3       ASN 101   7.340 -15.830   3.662
  774   1HD2  ASN 101          HD22      ASN 101   5.619 -15.495   0.745
  775   2HD2  ASN 101          HD21      ASN 101   4.809 -17.043   0.753
  776    H    LYS 102           H        LYS 102   6.960 -15.360   6.233
  777    HA   LYS 102           HA       LYS 102   5.179 -17.499   6.934
  778   1HB   LYS 102          HB2       LYS 102   6.612 -17.894   8.831
  779   2HB   LYS 102          HB3       LYS 102   7.549 -17.652   7.359
  780   1HG   LYS 102          HG2       LYS 102   8.025 -15.305   8.076
  781   2HG   LYS 102          HG3       LYS 102   7.154 -15.608   9.571
  782   1HD   LYS 102          HD2       LYS 102   9.607 -17.153   8.654
  783   2HD   LYS 102          HD3       LYS 102   9.676 -15.761   9.730
  784   1HE   LYS 102          HE2       LYS 102   8.076 -18.275  10.374
  785   2HE   LYS 102          HE3       LYS 102   9.765 -18.057  10.836
  786   1HZ   LYS 102          HZ1       LYS 102   8.212 -17.423  12.600
  787   2HZ   LYS 102          HZ2       LYS 102   9.172 -16.170  12.170
  788   3HZ   LYS 102          HZ3       LYS 102   7.618 -16.194  11.684
  789    H    HIS 103           H        HIS 103   4.714 -14.181   7.468
  790    HA   HIS 103           HA       HIS 103   2.736 -14.831   9.610
  791   1HB   HIS 103          HB2       HIS 103   4.469 -12.358   9.298
  792   2HB   HIS 103          HB3       HIS 103   3.094 -12.471  10.394
  793    HD1  HIS 103           HD1      HIS 103   3.324 -14.765  12.171
  794    HD2  HIS 103           HD2      HIS 103   6.734 -13.244  10.238
  795    HE1  HIS 103           HE1      HIS 103   5.323 -15.738  13.398
  796    H    LEU 104           H        LEU 104   3.126 -13.490   6.409
  797    HA   LEU 104           HA       LEU 104   0.709 -11.977   6.327
  798   1HB   LEU 104          HB2       LEU 104   2.286 -13.522   4.242
  799   2HB   LEU 104          HB3       LEU 104   0.721 -12.823   3.850
  800    HG   LEU 104           HG       LEU 104   3.159 -11.256   4.766
  801   1HD1  LEU 104          HD11      LEU 104   3.306 -12.143   2.458
  802   2HD1  LEU 104          HD12      LEU 104   1.726 -11.429   2.073
  803   3HD1  LEU 104          HD13      LEU 104   3.109 -10.382   2.447
  804   1HD2  LEU 104          HD21      LEU 104   1.184 -10.064   5.551
  805   2HD2  LEU 104          HD22      LEU 104   1.797  -9.244   4.123
  806   3HD2  LEU 104          HD23      LEU 104   0.369 -10.299   3.993
  Start of MODEL   13
    1   1H    MET   1          H1        MET   1  -0.387  -1.721   1.448
    2   2H    MET   1          H2        MET   1   0.604  -1.981   0.170
    3   3H    MET   1          H3        MET   1   1.252  -1.740   1.640
    4    HA   MET   1           HA       MET   1  -0.254   0.205   0.029
    5   1HB   MET   1          HB2       MET   1   0.982   0.607   2.781
    6   2HB   MET   1          HB3       MET   1   0.433   1.910   1.717
    7   1HG   MET   1          HG2       MET   1  -1.853   0.941   1.713
    8   2HG   MET   1          HG3       MET   1  -1.317  -0.293   2.863
    9   1HE   MET   1          HE1       MET   1  -3.272   0.309   4.520
   10   2HE   MET   1          HE2       MET   1  -3.635   1.966   5.051
   11   3HE   MET   1          HE3       MET   1  -3.847   1.516   3.345
   12    H    ALA   2           H        ALA   2   2.767   1.085   1.685
   13    HA   ALA   2           HA       ALA   2   4.477   0.700  -0.616
   14   1HB   ALA   2          HB1       ALA   2   3.507   3.505   0.124
   15   2HB   ALA   2          HB2       ALA   2   4.752   3.112  -1.081
   16   3HB   ALA   2          HB3       ALA   2   3.076   2.638  -1.368
   17    H    ILE   3           H        ILE   3   6.503   2.420  -0.004
   18    HA   ILE   3           HA       ILE   3   7.243   1.936   2.791
   19    HB   ILE   3           HB       ILE   3   8.512   3.598   0.582
   20   1HG1  ILE   3          HG12      ILE   3   9.916   1.163   1.628
   21   2HG1  ILE   3          HG13      ILE   3   8.442   0.819   0.737
   22   1HG2  ILE   3          HG21      ILE   3  10.584   3.600   2.007
   23   2HG2  ILE   3          HG22      ILE   3   9.265   4.517   2.723
   24   3HG2  ILE   3          HG23      ILE   3   9.636   2.893   3.334
   25   1HD1  ILE   3          HD11      ILE   3   9.209   2.076  -1.183
   26   2HD1  ILE   3          HD12      ILE   3  10.708   2.541  -0.325
   27   3HD1  ILE   3          HD13      ILE   3  10.406   0.838  -0.721
   28    H    VAL   4           H        VAL   4   7.160   3.467   4.398
   29    HA   VAL   4           HA       VAL   4   5.856   6.089   3.890
   30    HB   VAL   4           HB       VAL   4   5.269   4.172   6.182
   31   1HG1  VAL   4          HG11      VAL   4   3.253   5.603   6.540
   32   2HG1  VAL   4          HG12      VAL   4   4.755   6.456   6.826
   33   3HG1  VAL   4          HG13      VAL   4   3.860   6.727   5.307
   34   1HG2  VAL   4          HG21      VAL   4   3.633   4.636   3.650
   35   2HG2  VAL   4          HG22      VAL   4   4.348   3.104   4.206
   36   3HG2  VAL   4          HG23      VAL   4   3.015   3.821   5.101
   37    H    LYS   5           H        LYS   5   6.288   7.559   5.736
   38    HA   LYS   5           HA       LYS   5   8.975   7.134   6.992
   39   1HB   LYS   5          HB2       LYS   5   7.681   9.770   6.144
   40   2HB   LYS   5          HB3       LYS   5   9.292   9.558   6.806
   41   1HG   LYS   5          HG2       LYS   5   8.295   8.591   4.081
   42   2HG   LYS   5          HG3       LYS   5   9.282  10.007   4.368
   43   1HD   LYS   5          HD2       LYS   5  10.123   7.125   4.889
   44   2HD   LYS   5          HD3       LYS   5  10.584   8.082   3.492
   45   1HE   LYS   5          HE2       LYS   5  11.294   8.761   6.383
   46   2HE   LYS   5          HE3       LYS   5  12.369   7.955   5.240
   47   1HZ   LYS   5          HZ1       LYS   5  11.310  10.707   4.900
   48   2HZ   LYS   5          HZ2       LYS   5  12.835  10.322   5.311
   49   3HZ   LYS   5          HZ3       LYS   5  12.278   9.938   3.832
   50    H    ALA   6           H        ALA   6   8.818   7.169   9.217
   51    HA   ALA   6           HA       ALA   6   6.370   8.398  10.443
   52   1HB   ALA   6          HB1       ALA   6   6.060   6.380  11.815
   53   2HB   ALA   6          HB2       ALA   6   5.932   6.001  10.093
   54   3HB   ALA   6          HB3       ALA   6   7.424   5.597  10.992
   55    H    THR   7           H        THR   7   6.458   8.422  12.812
   56    HA   THR   7           HA       THR   7   9.112   8.474  14.060
   57    HB   THR   7           HB       THR   7   8.477  10.590  15.259
   58    HG1  THR   7           HG1      THR   7   6.519  10.717  13.210
   59   1HG2  THR   7          HG21      THR   7   9.199  12.145  13.572
   60   2HG2  THR   7          HG22      THR   7  10.080  10.625  13.341
   61   3HG2  THR   7          HG23      THR   7   8.738  11.036  12.259
   62    H    ASP   8           H        ASP   8   8.609   8.805  16.547
   63    HA   ASP   8           HA       ASP   8   6.933   6.866  17.627
   64   1HB   ASP   8          HB2       ASP   8   8.623   8.061  18.925
   65   2HB   ASP   8          HB3       ASP   8   7.738   9.576  18.727
   66    H    GLN   9           H        GLN   9   6.035  10.061  16.460
   67    HA   GLN   9           HA       GLN   9   3.526  10.383  17.719
   68   1HB   GLN   9          HB2       GLN   9   4.422  11.374  14.986
   69   2HB   GLN   9          HB3       GLN   9   3.116  12.046  15.954
   70   1HG   GLN   9          HG2       GLN   9   4.691  12.810  17.668
   71   2HG   GLN   9          HG3       GLN   9   6.047  12.062  16.816
   72   1HE2  GLN   9          HE22      GLN   9   6.392  12.780  14.484
   73   2HE2  GLN   9          HE21      GLN   9   6.174  14.491  14.151
   74    H    SER  10           H        SER  10   4.454   8.506  14.856
   75    HA   SER  10           HA       SER  10   1.606   7.890  14.256
   76   1HB   SER  10          HB2       SER  10   2.511   7.897  11.884
   77   2HB   SER  10          HB3       SER  10   2.486   9.455  12.736
   78    HG   SER  10           HG       SER  10   4.423   9.234  11.687
   79    H    PHE  11           H        PHE  11   4.770   6.509  14.804
   80    HA   PHE  11           HA       PHE  11   4.871   4.353  13.190
   81   1HB   PHE  11          HB2       PHE  11   6.601   5.128  14.805
   82   2HB   PHE  11          HB3       PHE  11   5.696   4.406  16.127
   83    HD1  PHE  11           HD1      PHE  11   7.799   3.818  13.160
   84    HD2  PHE  11           HD2      PHE  11   5.647   1.920  16.385
   85    HE1  PHE  11           HE1      PHE  11   9.047   1.738  12.766
   86    HE2  PHE  11           HE2      PHE  11   6.856  -0.197  15.934
   87    HZ   PHE  11           HZ       PHE  11   8.588  -0.291  14.159
   88    H    SER  12           H        SER  12   3.225   4.285  16.421
   89    HA   SER  12           HA       SER  12   2.566   1.568  16.304
   90   1HB   SER  12          HB2       SER  12   0.984   3.736  17.735
   91   2HB   SER  12          HB3       SER  12   1.156   2.032  18.200
   92    HG   SER  12           HG       SER  12   2.527   3.427  19.412
   93    H    ALA  13           H        ALA  13   0.782   4.382  15.048
   94    HA   ALA  13           HA       ALA  13  -1.594   2.886  14.407
   95   1HB   ALA  13          HB1       ALA  13  -0.574   5.541  13.295
   96   2HB   ALA  13          HB2       ALA  13  -2.203   4.875  13.079
   97   3HB   ALA  13          HB3       ALA  13  -1.651   5.344  14.698
   98    H    GLU  14           H        GLU  14   1.326   3.921  12.638
   99    HA   GLU  14           HA       GLU  14   0.500   2.924  10.120
  100   1HB   GLU  14          HB2       GLU  14   3.278   3.452  11.259
  101   2HB   GLU  14          HB3       GLU  14   3.015   2.934   9.599
  102   1HG   GLU  14          HG2       GLU  14   1.973   5.500  10.852
  103   2HG   GLU  14          HG3       GLU  14   3.307   5.350   9.711
  104    H    THR  15           H        THR  15   2.199   1.293  12.812
  105    HA   THR  15           HA       THR  15   2.635  -1.082  11.246
  106    HB   THR  15           HB       THR  15   3.538  -1.926  13.445
  107    HG1  THR  15           HG1      THR  15   3.352   0.786  14.214
  108   1HG2  THR  15          HG21      THR  15   4.673   0.640  12.236
  109   2HG2  THR  15          HG22      THR  15   5.543  -0.431  13.347
  110   3HG2  THR  15          HG23      THR  15   5.041  -1.033  11.764
  111    H    SER  16           H        SER  16  -0.214  -0.006  12.476
  112    HA   SER  16           HA       SER  16  -1.056  -2.660  13.457
  113   1HB   SER  16          HB2       SER  16  -2.308   0.090  13.803
  114   2HB   SER  16          HB3       SER  16  -2.983  -1.428  14.428
  115    HG   SER  16           HG       SER  16  -0.629  -0.074  15.187
  116    H    GLU  17           H        GLU  17  -0.639  -2.166  10.638
  117    HA   GLU  17           HA       GLU  17  -3.392  -2.687   9.635
  118   1HB   GLU  17          HB2       GLU  17  -1.373  -0.800   8.372
  119   2HB   GLU  17          HB3       GLU  17  -2.884  -1.348   7.619
  120   1HG   GLU  17          HG2       GLU  17  -4.121  -0.421   9.639
  121   2HG   GLU  17          HG3       GLU  17  -2.606   0.354  10.121
  122    H    GLY  18           H        GLY  18  -1.962  -4.788  10.334
  123   1HA   GLY  18          HA2       GLY  18  -1.897  -6.876   9.186
  124   2HA   GLY  18          HA3       GLY  18  -1.373  -6.057   7.709
  125    H    VAL  19           H        VAL  19   0.452  -7.502   7.573
  126    HA   VAL  19           HA       VAL  19   2.583  -7.328   9.586
  127    HB   VAL  19           HB       VAL  19   2.622  -8.374   6.723
  128   1HG1  VAL  19          HG11      VAL  19   4.772  -8.506   8.891
  129   2HG1  VAL  19          HG12      VAL  19   4.820  -9.386   7.351
  130   3HG1  VAL  19          HG13      VAL  19   4.906  -7.624   7.358
  131   1HG2  VAL  19          HG21      VAL  19   2.647  -9.838   9.407
  132   2HG2  VAL  19          HG22      VAL  19   1.281  -9.788   8.271
  133   3HG2  VAL  19          HG23      VAL  19   2.783 -10.595   7.806
  134    H    VAL  20           H        VAL  20   4.187  -5.832   9.566
  135    HA   VAL  20           HA       VAL  20   4.430  -3.893   7.352
  136    HB   VAL  20           HB       VAL  20   4.077  -3.191  10.308
  137   1HG1  VAL  20          HG11      VAL  20   4.055  -0.824   9.459
  138   2HG1  VAL  20          HG12      VAL  20   5.615  -1.617   9.243
  139   3HG1  VAL  20          HG13      VAL  20   4.518  -1.428   7.858
  140   1HG2  VAL  20          HG21      VAL  20   1.872  -3.676   9.469
  141   2HG2  VAL  20          HG22      VAL  20   1.997  -1.926   9.401
  142   3HG2  VAL  20          HG23      VAL  20   2.190  -2.867   7.924
  143    H    LEU  21           H        LEU  21   6.622  -3.131   7.229
  144    HA   LEU  21           HA       LEU  21   8.555  -4.576   9.006
  145   1HB   LEU  21          HB2       LEU  21   8.158  -5.562   6.734
  146   2HB   LEU  21          HB3       LEU  21   8.847  -4.093   6.025
  147    HG   LEU  21           HG       LEU  21  10.224  -6.061   7.909
  148   1HD1  LEU  21          HD11      LEU  21   9.824  -6.923   5.625
  149   2HD1  LEU  21          HD12      LEU  21  10.667  -5.512   4.948
  150   3HD1  LEU  21          HD13      LEU  21  11.546  -6.693   5.945
  151   1HD2  LEU  21          HD21      LEU  21  11.323  -3.534   6.624
  152   2HD2  LEU  21          HD22      LEU  21  11.314  -3.989   8.352
  153   3HD2  LEU  21          HD23      LEU  21  12.347  -4.855   7.222
  154    H    ALA  22           H        ALA  22   9.239  -3.014  10.322
  155    HA   ALA  22           HA       ALA  22   9.392  -0.232   9.430
  156   1HB   ALA  22          HB1       ALA  22   9.887  -1.622  12.085
  157   2HB   ALA  22          HB2       ALA  22  10.102   0.115  11.815
  158   3HB   ALA  22          HB3       ALA  22   8.486  -0.618  11.640
  159    H    ASP  23           H        ASP  23  11.325   0.919   9.396
  160    HA   ASP  23           HA       ASP  23  13.881  -0.612   9.297
  161   1HB   ASP  23          HB2       ASP  23  13.227  -0.373   7.026
  162   2HB   ASP  23          HB3       ASP  23  12.675   1.282   7.271
  163    H    PHE  24           H        PHE  24  14.684   0.065  11.153
  164    HA   PHE  24           HA       PHE  24  14.625   2.857  12.059
  165   1HB   PHE  24          HB2       PHE  24  15.842   0.292  13.166
  166   2HB   PHE  24          HB3       PHE  24  16.108   1.879  13.867
  167    HD1  PHE  24           HD1      PHE  24  14.549   2.803  15.407
  168    HD2  PHE  24           HD2      PHE  24  13.345  -0.504  12.910
  169    HE1  PHE  24           HE1      PHE  24  12.333   2.781  16.498
  170    HE2  PHE  24           HE2      PHE  24  11.127  -0.516  14.016
  171    HZ   PHE  24           HZ       PHE  24  10.589   1.170  15.746
  172    H    TRP  25           H        TRP  25  15.932   4.236  11.101
  173    HA   TRP  25           HA       TRP  25  18.642   3.520  10.337
  174   1HB   TRP  25          HB2       TRP  25  18.311   3.307   8.143
  175   2HB   TRP  25          HB3       TRP  25  16.603   3.213   8.440
  176    HD1  TRP  25           HD1      TRP  25  19.142   5.212   6.641
  177    HE1  TRP  25           HE1      TRP  25  18.072   7.257   5.526
  178    HE3  TRP  25           HE3      TRP  25  14.717   5.302   9.172
  179    HZ2  TRP  25           HZ2      TRP  25  15.797   8.976   5.993
  180    HZ3  TRP  25           HZ3      TRP  25  13.183   7.262   8.947
  181    HH2  TRP  25           HH2      TRP  25  13.736   9.107   7.394
  182    H    ALA  26           H        ALA  26  19.426   5.801   9.059
  183    HA   ALA  26           HA       ALA  26  18.068   8.152   9.934
  184   1HB   ALA  26          HB1       ALA  26  20.843   7.567  11.064
  185   2HB   ALA  26          HB2       ALA  26  20.023   9.152  11.118
  186   3HB   ALA  26          HB3       ALA  26  19.351   7.786  12.012
  187    HA   PRO  27           HA       PRO  27  20.048   9.018   6.058
  188   1HB   PRO  27          HB2       PRO  27  20.293  11.905   6.820
  189   2HB   PRO  27          HB3       PRO  27  19.588  11.151   5.348
  190   1HG   PRO  27          HG2       PRO  27  17.995  12.127   7.365
  191   2HG   PRO  27          HG3       PRO  27  17.577  10.622   6.489
  192   1HD   PRO  27          HD2       PRO  27  18.875  10.911   9.204
  193   2HD   PRO  27          HD3       PRO  27  17.593   9.782   8.663
  194    H    TRP  28           H        TRP  28  21.783   9.932   8.998
  195    HA   TRP  28           HA       TRP  28  24.251  10.543   7.630
  196   1HB   TRP  28          HB2       TRP  28  25.322  10.395   9.758
  197   2HB   TRP  28          HB3       TRP  28  23.820  11.275   9.941
  198    HD1  TRP  28           HD1      TRP  28  22.069  10.326  11.606
  199    HE1  TRP  28           HE1      TRP  28  22.058   8.489  13.371
  200    HE3  TRP  28           HE3      TRP  28  26.338   7.855  10.216
  201    HZ2  TRP  28           HZ2      TRP  28  23.618   6.130  14.014
  202    HZ3  TRP  28           HZ3      TRP  28  27.025   5.793  11.399
  203    HH2  TRP  28           HH2      TRP  28  25.671   4.915  13.292
  204    H    CYS  29           H        CYS  29  22.540   7.602   8.203
  205    HA   CYS  29           HA       CYS  29  24.558   5.772   8.788
  206   1HB   CYS  29          HB2       CYS  29  22.017   5.509   8.889
  207   2HB   CYS  29          HB3       CYS  29  22.042   5.353   7.164
  208    H    GLY  30           H        GLY  30  25.801   4.372   7.524
  209   1HA   GLY  30          HA2       GLY  30  26.155   5.007   4.640
  210   2HA   GLY  30          HA3       GLY  30  27.254   4.074   5.666
  211    HA   PRO  31           HA       PRO  31  25.552   0.315   4.401
  212   1HB   PRO  31          HB2       PRO  31  24.597  -1.133   6.606
  213   2HB   PRO  31          HB3       PRO  31  26.301  -0.973   6.092
  214   1HG   PRO  31          HG2       PRO  31  24.831   0.612   8.203
  215   2HG   PRO  31          HG3       PRO  31  26.485  -0.068   8.265
  216   1HD   PRO  31          HD2       PRO  31  26.054   2.535   7.734
  217   2HD   PRO  31          HD3       PRO  31  27.330   1.641   6.859
  218    H    CYS  32           H        CYS  32  23.179   2.096   6.356
  219    HA   CYS  32           HA       CYS  32  20.827   0.767   5.567
  220   1HB   CYS  32          HB2       CYS  32  21.109   3.767   5.864
  221   2HB   CYS  32          HB3       CYS  32  19.661   2.801   6.036
  222    H    LYS  33           H        LYS  33  22.886   3.060   3.741
  223    HA   LYS  33           HA       LYS  33  20.951   3.606   1.698
  224   1HB   LYS  33          HB2       LYS  33  23.981   3.776   1.492
  225   2HB   LYS  33          HB3       LYS  33  22.807   4.634   0.504
  226   1HG   LYS  33          HG2       LYS  33  23.240   5.068   3.495
  227   2HG   LYS  33          HG3       LYS  33  23.930   6.047   2.211
  228   1HD   LYS  33          HD2       LYS  33  21.762   6.886   1.551
  229   2HD   LYS  33          HD3       LYS  33  20.921   5.729   2.583
  230   1HE   LYS  33          HE2       LYS  33  20.970   8.043   3.549
  231   2HE   LYS  33          HE3       LYS  33  21.657   6.798   4.600
  232   1HZ   LYS  33          HZ1       LYS  33  23.340   8.541   2.902
  233   2HZ   LYS  33          HZ2       LYS  33  22.949   8.871   4.463
  234   3HZ   LYS  33          HZ3       LYS  33  23.809   7.532   4.139
  235    H    MET  34           H        MET  34  23.154   0.906   2.279
  236    HA   MET  34           HA       MET  34  23.160  -0.059  -0.430
  237   1HB   MET  34          HB2       MET  34  23.598  -1.654   2.117
  238   2HB   MET  34          HB3       MET  34  24.082  -2.104   0.482
  239   1HG   MET  34          HG2       MET  34  25.609  -0.097   0.454
  240   2HG   MET  34          HG3       MET  34  25.209   0.176   2.148
  241   1HE   MET  34          HE1       MET  34  25.138  -3.320   2.844
  242   2HE   MET  34          HE2       MET  34  26.650  -3.214   3.765
  243   3HE   MET  34          HE3       MET  34  25.412  -1.949   3.938
  244    H    ILE  35           H        ILE  35  21.217  -0.736   2.513
  245    HA   ILE  35           HA       ILE  35  19.705  -2.760   1.103
  246    HB   ILE  35           HB       ILE  35  20.398  -3.026   3.443
  247   1HG1  ILE  35          HG12      ILE  35  17.406  -3.215   2.962
  248   2HG1  ILE  35          HG13      ILE  35  18.632  -4.384   2.466
  249   1HG2  ILE  35          HG21      ILE  35  18.287  -0.946   4.117
  250   2HG2  ILE  35          HG22      ILE  35  19.230  -1.913   5.273
  251   3HG2  ILE  35          HG23      ILE  35  20.054  -0.753   4.250
  252   1HD1  ILE  35          HD11      ILE  35  17.781  -3.684   5.298
  253   2HD1  ILE  35          HD12      ILE  35  17.578  -5.220   4.438
  254   3HD1  ILE  35          HD13      ILE  35  19.198  -4.689   4.921
  255    H    ALA  36           H        ALA  36  19.259   0.694   1.705
  256    HA   ALA  36           HA       ALA  36  16.550   0.978   1.526
  257   1HB   ALA  36          HB1       ALA  36  16.967   3.173   0.463
  258   2HB   ALA  36          HB2       ALA  36  18.043   2.855   1.836
  259   3HB   ALA  36          HB3       ALA  36  18.657   2.711   0.178
  260    HA   PRO  37           HA       PRO  37  16.235   0.579  -3.205
  261   1HB   PRO  37          HB2       PRO  37  18.189  -0.720  -4.662
  262   2HB   PRO  37          HB3       PRO  37  18.120   1.051  -4.416
  263   1HG   PRO  37          HG2       PRO  37  19.732  -0.986  -2.854
  264   2HG   PRO  37          HG3       PRO  37  20.288   0.576  -3.539
  265   1HD   PRO  37          HD2       PRO  37  19.602   0.377  -0.942
  266   2HD   PRO  37          HD3       PRO  37  19.136   1.817  -1.886
  267    H    VAL  38           H        VAL  38  17.833  -1.971  -1.317
  268    HA   VAL  38           HA       VAL  38  16.538  -4.161  -2.640
  269    HB   VAL  38           HB       VAL  38  17.681  -4.043   0.186
  270   1HG1  VAL  38          HG11      VAL  38  17.968  -6.482  -0.098
  271   2HG1  VAL  38          HG12      VAL  38  16.274  -6.000  -0.104
  272   3HG1  VAL  38          HG13      VAL  38  17.083  -6.396  -1.645
  273   1HG2  VAL  38          HG21      VAL  38  19.432  -3.429  -1.444
  274   2HG2  VAL  38          HG22      VAL  38  19.712  -5.053  -0.822
  275   3HG2  VAL  38          HG23      VAL  38  19.015  -4.839  -2.441
  276    H    LEU  39           H        LEU  39  15.704  -2.074   0.205
  277    HA   LEU  39           HA       LEU  39  13.213  -3.389   0.703
  278   1HB   LEU  39          HB2       LEU  39  14.108  -0.549   1.338
  279   2HB   LEU  39          HB3       LEU  39  12.599  -1.265   1.890
  280    HG   LEU  39           HG       LEU  39  15.388  -2.220   2.609
  281   1HD1  LEU  39          HD11      LEU  39  14.720  -0.104   3.690
  282   2HD1  LEU  39          HD12      LEU  39  13.237  -0.872   4.295
  283   3HD1  LEU  39          HD13      LEU  39  14.827  -1.422   4.865
  284   1HD2  LEU  39          HD21      LEU  39  14.222  -3.723   4.243
  285   2HD2  LEU  39          HD22      LEU  39  12.671  -3.305   3.479
  286   3HD2  LEU  39          HD23      LEU  39  13.923  -4.173   2.564
  287    H    GLU  40           H        GLU  40  14.076  -0.646  -1.474
  288    HA   GLU  40           HA       GLU  40  11.392  -0.175  -2.297
  289   1HB   GLU  40          HB2       GLU  40  14.014   0.209  -3.782
  290   2HB   GLU  40          HB3       GLU  40  12.442   0.667  -4.441
  291   1HG   GLU  40          HG2       GLU  40  12.035   2.156  -2.515
  292   2HG   GLU  40          HG3       GLU  40  13.605   1.736  -1.835
  293    H    GLU  41           H        GLU  41  13.798  -2.537  -3.530
  294    HA   GLU  41           HA       GLU  41  12.050  -3.602  -5.525
  295   1HB   GLU  41          HB2       GLU  41  14.491  -4.711  -4.104
  296   2HB   GLU  41          HB3       GLU  41  13.578  -5.642  -5.299
  297   1HG   GLU  41          HG2       GLU  41  13.936  -3.913  -7.000
  298   2HG   GLU  41          HG3       GLU  41  14.798  -2.902  -5.842
  299    H    LEU  42           H        LEU  42  12.544  -4.408  -2.094
  300    HA   LEU  42           HA       LEU  42  10.808  -6.645  -1.979
  301   1HB   LEU  42          HB2       LEU  42  12.459  -5.540  -0.178
  302   2HB   LEU  42          HB3       LEU  42  11.017  -4.678   0.316
  303    HG   LEU  42           HG       LEU  42  11.637  -7.640   0.407
  304   1HD1  LEU  42          HD11      LEU  42  10.623  -5.643   2.476
  305   2HD1  LEU  42          HD12      LEU  42  11.004  -7.347   2.780
  306   3HD1  LEU  42          HD13      LEU  42  12.295  -6.224   2.310
  307   1HD2  LEU  42          HD21      LEU  42   9.316  -8.058   1.255
  308   2HD2  LEU  42          HD22      LEU  42   8.865  -6.437   0.692
  309   3HD2  LEU  42          HD23      LEU  42   9.402  -7.672  -0.473
  310    H    ASP  43           H        ASP  43  10.161  -3.131  -1.480
  311    HA   ASP  43           HA       ASP  43   7.424  -3.282  -0.927
  312   1HB   ASP  43          HB2       ASP  43   8.895  -1.219  -0.790
  313   2HB   ASP  43          HB3       ASP  43   8.784  -1.096  -2.557
  314    H    GLN  44           H        GLN  44   9.087  -3.037  -4.062
  315    HA   GLN  44           HA       GLN  44   6.682  -2.962  -5.611
  316   1HB   GLN  44          HB2       GLN  44   9.581  -3.529  -6.304
  317   2HB   GLN  44          HB3       GLN  44   8.300  -3.415  -7.521
  318   1HG   GLN  44          HG2       GLN  44   7.797  -1.130  -6.943
  319   2HG   GLN  44          HG3       GLN  44   8.816  -1.173  -5.506
  320   1HE2  GLN  44          HE22      GLN  44  11.123  -1.302  -5.767
  321   2HE2  GLN  44          HE21      GLN  44  11.910  -0.736  -7.241
  322    H    GLU  45           H        GLU  45   8.104  -5.589  -3.951
  323    HA   GLU  45           HA       GLU  45   6.932  -7.644  -5.739
  324   1HB   GLU  45          HB2       GLU  45   9.089  -7.651  -3.605
  325   2HB   GLU  45          HB3       GLU  45   8.385  -9.141  -4.259
  326   1HG   GLU  45          HG2       GLU  45   9.036  -8.624  -6.514
  327   2HG   GLU  45          HG3       GLU  45   9.493  -6.982  -6.096
  328    H    MET  46           H        MET  46   6.709  -6.321  -2.474
  329    HA   MET  46           HA       MET  46   4.483  -8.253  -1.922
  330   1HB   MET  46          HB2       MET  46   6.452  -6.992   0.014
  331   2HB   MET  46          HB3       MET  46   5.206  -8.175   0.409
  332   1HG   MET  46          HG2       MET  46   7.634  -8.608  -1.359
  333   2HG   MET  46          HG3       MET  46   7.380  -9.219   0.273
  334   1HE   MET  46          HE1       MET  46   6.047 -11.287   0.890
  335   2HE   MET  46          HE2       MET  46   4.557 -10.436   0.369
  336   3HE   MET  46          HE3       MET  46   4.876 -12.101  -0.176
  337    H    GLY  47           H        GLY  47   4.979  -4.913  -2.409
  338   1HA   GLY  47          HA2       GLY  47   3.653  -3.700  -0.300
  339   2HA   GLY  47          HA3       GLY  47   3.748  -3.078  -1.953
  340    H    ASP  48           H        ASP  48   2.145  -5.807  -2.520
  341    HA   ASP  48           HA       ASP  48  -0.497  -4.659  -2.605
  342   1HB   ASP  48          HB2       ASP  48   0.248  -6.354  -4.223
  343   2HB   ASP  48          HB3       ASP  48   0.457  -7.529  -2.920
  344    H    LYS  49           H        LYS  49   1.339  -6.601  -0.314
  345    HA   LYS  49           HA       LYS  49  -0.988  -6.723   1.567
  346   1HB   LYS  49          HB2       LYS  49   1.377  -8.638   1.270
  347   2HB   LYS  49          HB3       LYS  49   0.082  -8.782   2.447
  348   1HG   LYS  49          HG2       LYS  49  -0.199  -9.019  -0.576
  349   2HG   LYS  49          HG3       LYS  49  -0.176 -10.351   0.568
  350   1HD   LYS  49          HD2       LYS  49  -2.339  -8.208   0.390
  351   2HD   LYS  49          HD3       LYS  49  -2.448  -9.868  -0.202
  352   1HE   LYS  49          HE2       LYS  49  -2.134 -10.717   2.122
  353   2HE   LYS  49          HE3       LYS  49  -2.082  -9.051   2.716
  354   1HZ   LYS  49          HZ1       LYS  49  -4.355  -8.764   1.907
  355   2HZ   LYS  49          HZ2       LYS  49  -4.402 -10.306   1.364
  356   3HZ   LYS  49          HZ3       LYS  49  -4.282 -10.006   2.958
  357    H    LEU  50           H        LEU  50   2.380  -5.836   1.081
  358    HA   LEU  50           HA       LEU  50   2.869  -5.624   3.973
  359   1HB   LEU  50          HB2       LEU  50   4.402  -6.827   2.369
  360   2HB   LEU  50          HB3       LEU  50   4.721  -5.285   1.575
  361    HG   LEU  50           HG       LEU  50   5.796  -4.433   3.641
  362   1HD1  LEU  50          HD11      LEU  50   5.218  -7.221   4.738
  363   2HD1  LEU  50          HD12      LEU  50   6.310  -6.038   5.487
  364   3HD1  LEU  50          HD13      LEU  50   4.589  -5.689   5.377
  365   1HD2  LEU  50          HD21      LEU  50   7.149  -5.507   1.952
  366   2HD2  LEU  50          HD22      LEU  50   7.788  -5.865   3.560
  367   3HD2  LEU  50          HD23      LEU  50   6.862  -7.105   2.681
  368    H    LYS  51           H        LYS  51   4.018  -3.720   4.798
  369    HA   LYS  51           HA       LYS  51   3.917  -1.221   3.243
  370   1HB   LYS  51          HB2       LYS  51   1.892  -1.199   4.742
  371   2HB   LYS  51          HB3       LYS  51   2.931  -1.564   6.120
  372   1HG   LYS  51          HG2       LYS  51   4.188   0.635   5.557
  373   2HG   LYS  51          HG3       LYS  51   2.850   0.994   4.469
  374   1HD   LYS  51          HD2       LYS  51   2.650   0.453   7.470
  375   2HD   LYS  51          HD3       LYS  51   2.680   2.048   6.717
  376   1HE   LYS  51          HE2       LYS  51   0.582   1.487   5.475
  377   2HE   LYS  51          HE3       LYS  51   0.511  -0.071   6.329
  378   1HZ   LYS  51          HZ1       LYS  51   0.495   2.595   7.619
  379   2HZ   LYS  51          HZ2       LYS  51  -0.837   1.647   7.423
  380   3HZ   LYS  51          HZ3       LYS  51   0.395   1.147   8.399
  381    H    ILE  52           H        ILE  52   5.807   0.032   3.819
  382    HA   ILE  52           HA       ILE  52   7.671  -1.307   5.719
  383    HB   ILE  52           HB       ILE  52   8.336   0.041   3.087
  384   1HG1  ILE  52          HG12      ILE  52   8.607  -2.850   4.017
  385   2HG1  ILE  52          HG13      ILE  52   7.498  -2.237   2.792
  386   1HG2  ILE  52          HG21      ILE  52  10.272  -1.128   5.133
  387   2HG2  ILE  52          HG22      ILE  52  10.697  -0.404   3.568
  388   3HG2  ILE  52          HG23      ILE  52  10.026   0.609   4.831
  389   1HD1  ILE  52          HD11      ILE  52  10.507  -2.487   2.559
  390   2HD1  ILE  52          HD12      ILE  52   9.251  -3.302   1.616
  391   3HD1  ILE  52          HD13      ILE  52   9.512  -1.559   1.411
  392    H    VAL  53           H        VAL  53   8.589   0.144   7.242
  393    HA   VAL  53           HA       VAL  53   7.518   2.949   7.134
  394    HB   VAL  53           HB       VAL  53   7.271   0.939   9.409
  395   1HG1  VAL  53          HG11      VAL  53   6.508   3.889   9.329
  396   2HG1  VAL  53          HG12      VAL  53   6.085   2.750  10.629
  397   3HG1  VAL  53          HG13      VAL  53   7.774   3.171  10.352
  398   1HG2  VAL  53          HG21      VAL  53   5.176   2.423   7.753
  399   2HG2  VAL  53          HG22      VAL  53   5.540   0.692   7.663
  400   3HG2  VAL  53          HG23      VAL  53   4.845   1.367   9.139
  401    H    LYS  54           H        LYS  54   9.400   4.004   6.747
  402    HA   LYS  54           HA       LYS  54  11.891   3.264   8.099
  403   1HB   LYS  54          HB2       LYS  54  11.148   5.737   6.488
  404   2HB   LYS  54          HB3       LYS  54  12.786   5.258   6.969
  405   1HG   LYS  54          HG2       LYS  54  12.532   3.118   5.673
  406   2HG   LYS  54          HG3       LYS  54  10.960   3.665   5.112
  407   1HD   LYS  54          HD2       LYS  54  12.612   4.020   3.381
  408   2HD   LYS  54          HD3       LYS  54  11.963   5.553   3.945
  409   1HE   LYS  54          HE2       LYS  54  14.295   5.833   3.614
  410   2HE   LYS  54          HE3       LYS  54  14.010   5.872   5.360
  411   1HZ   LYS  54          HZ1       LYS  54  15.107   3.590   3.816
  412   2HZ   LYS  54          HZ2       LYS  54  15.933   4.539   4.858
  413   3HZ   LYS  54          HZ3       LYS  54  14.795   3.511   5.420
  414    H    ILE  55           H        ILE  55  12.706   4.220   9.973
  415    HA   ILE  55           HA       ILE  55  11.380   6.636  11.006
  416    HB   ILE  55           HB       ILE  55  10.087   4.945  12.014
  417   1HG1  ILE  55          HG12      ILE  55  12.069   5.822  14.146
  418   2HG1  ILE  55          HG13      ILE  55  10.939   6.929  13.361
  419   1HG2  ILE  55          HG21      ILE  55  12.619   3.601  13.029
  420   2HG2  ILE  55          HG22      ILE  55  10.961   3.130  13.430
  421   3HG2  ILE  55          HG23      ILE  55  11.536   2.962  11.775
  422   1HD1  ILE  55          HD11      ILE  55  10.143   4.485  14.991
  423   2HD1  ILE  55          HD12      ILE  55  10.016   6.181  15.483
  424   3HD1  ILE  55          HD13      ILE  55   9.024   5.585  14.145
  425    H    ASP  56           H        ASP  56  12.733   8.039  11.794
  426    HA   ASP  56           HA       ASP  56  15.563   7.556  11.323
  427   1HB   ASP  56          HB2       ASP  56  14.457   9.491  10.371
  428   2HB   ASP  56          HB3       ASP  56  14.013  10.071  11.979
  429    H    VAL  57           H        VAL  57  16.708   6.671  13.023
  430    HA   VAL  57           HA       VAL  57  15.828   6.828  15.726
  431    HB   VAL  57           HB       VAL  57  17.925   5.763  16.328
  432   1HG1  VAL  57          HG11      VAL  57  16.060   4.448  15.372
  433   2HG1  VAL  57          HG12      VAL  57  16.798   4.564  13.761
  434   3HG1  VAL  57          HG13      VAL  57  17.641   3.709  15.071
  435   1HG2  VAL  57          HG21      VAL  57  19.505   6.941  14.809
  436   2HG2  VAL  57          HG22      VAL  57  19.654   5.183  14.718
  437   3HG2  VAL  57          HG23      VAL  57  18.810   6.062  13.432
  438    H    ASP  58           H        ASP  58  17.568   9.219  13.867
  439    HA   ASP  58           HA       ASP  58  18.990  10.425  16.077
  440   1HB   ASP  58          HB2       ASP  58  19.553  10.802  13.681
  441   2HB   ASP  58          HB3       ASP  58  18.033  11.689  13.488
  442    H    GLU  59           H        GLU  59  15.631  10.351  15.200
  443    HA   GLU  59           HA       GLU  59  15.049  12.504  17.203
  444   1HB   GLU  59          HB2       GLU  59  13.591  11.855  14.611
  445   2HB   GLU  59          HB3       GLU  59  13.031  12.998  15.838
  446   1HG   GLU  59          HG2       GLU  59  15.194  14.279  15.534
  447   2HG   GLU  59          HG3       GLU  59  15.545  13.247  14.145
  448    H    ASN  60           H        ASN  60  14.984   9.226  16.835
  449    HA   ASN  60           HA       ASN  60  12.445   8.892  18.371
  450   1HB   ASN  60          HB2       ASN  60  13.243   7.334  15.880
  451   2HB   ASN  60          HB3       ASN  60  11.897   6.940  16.939
  452   1HD2  ASN  60          HD22      ASN  60  12.993   9.124  14.433
  453   2HD2  ASN  60          HD21      ASN  60  11.480   9.990  14.253
  454    H    GLN  61           H        GLN  61  15.025   8.938  19.504
  455    HA   GLN  61           HA       GLN  61  16.186   6.419  19.946
  456   1HB   GLN  61          HB2       GLN  61  15.826   8.694  21.955
  457   2HB   GLN  61          HB3       GLN  61  16.918   7.321  22.116
  458   1HG   GLN  61          HG2       GLN  61  18.437   8.781  21.290
  459   2HG   GLN  61          HG3       GLN  61  17.827   8.159  19.759
  460   1HE2  GLN  61          HE22      GLN  61  17.263   9.679  18.284
  461   2HE2  GLN  61          HE21      GLN  61  16.965  11.368  18.629
  462    H    GLU  62           H        GLU  62  13.170   7.782  21.299
  463    HA   GLU  62           HA       GLU  62  12.893   5.880  23.397
  464   1HB   GLU  62          HB2       GLU  62  10.792   7.474  21.857
  465   2HB   GLU  62          HB3       GLU  62  10.460   6.553  23.323
  466   1HG   GLU  62          HG2       GLU  62  12.376   8.920  23.115
  467   2HG   GLU  62          HG3       GLU  62  10.741   8.973  23.755
  468    H    THR  63           H        THR  63  11.497   5.889  20.031
  469    HA   THR  63           HA       THR  63  10.232   3.384  20.335
  470    HB   THR  63           HB       THR  63  11.216   4.323  17.691
  471    HG1  THR  63           HG1      THR  63   9.611   5.961  17.653
  472   1HG2  THR  63          HG21      THR  63   8.450   3.460  18.623
  473   2HG2  THR  63          HG22      THR  63   8.942   3.774  16.940
  474   3HG2  THR  63          HG23      THR  63   9.648   2.419  17.824
  475    H    ALA  64           H        ALA  64  13.492   4.304  19.108
  476    HA   ALA  64           HA       ALA  64  14.354   1.691  18.380
  477   1HB   ALA  64          HB1       ALA  64  15.921   4.066  19.520
  478   2HB   ALA  64          HB2       ALA  64  16.653   2.667  18.736
  479   3HB   ALA  64          HB3       ALA  64  15.603   3.750  17.802
  480    H    GLY  65           H        GLY  65  14.595   3.413  21.537
  481   1HA   GLY  65          HA2       GLY  65  15.800   1.343  23.024
  482   2HA   GLY  65          HA3       GLY  65  14.783   2.651  23.660
  483    H    LYS  66           H        LYS  66  12.425   1.788  22.021
  484    HA   LYS  66           HA       LYS  66  11.077   0.162  23.834
  485   1HB   LYS  66          HB2       LYS  66  10.200   1.689  21.939
  486   2HB   LYS  66          HB3       LYS  66  10.414   0.299  20.879
  487   1HG   LYS  66          HG2       LYS  66   8.835  -1.029  22.108
  488   2HG   LYS  66          HG3       LYS  66   8.782   0.146  23.442
  489   1HD   LYS  66          HD2       LYS  66   7.725   1.813  22.015
  490   2HD   LYS  66          HD3       LYS  66   7.931   0.788  20.595
  491   1HE   LYS  66          HE2       LYS  66   5.636   0.632  21.269
  492   2HE   LYS  66          HE3       LYS  66   6.415  -0.918  21.588
  493   1HZ   LYS  66          HZ1       LYS  66   6.542  -0.292  23.935
  494   2HZ   LYS  66          HZ2       LYS  66   5.854   1.163  23.630
  495   3HZ   LYS  66          HZ3       LYS  66   5.002  -0.205  23.420
  496    H    TYR  67           H        TYR  67  13.107  -0.800  21.073
  497    HA   TYR  67           HA       TYR  67  12.673  -3.661  21.847
  498   1HB   TYR  67          HB2       TYR  67  13.623  -2.894  19.121
  499   2HB   TYR  67          HB3       TYR  67  12.722  -4.310  19.631
  500    HD1  TYR  67           HD1      TYR  67  10.205  -3.975  20.236
  501    HD2  TYR  67           HD2      TYR  67  12.592  -0.946  18.302
  502    HE1  TYR  67           HE1      TYR  67   8.141  -2.764  19.573
  503    HE2  TYR  67           HE2      TYR  67  10.585   0.288  17.708
  504    HH   TYR  67           HH       TYR  67   8.223   0.332  17.764
  505    H    GLY  68           H        GLY  68  14.808  -1.403  22.555
  506   1HA   GLY  68          HA2       GLY  68  17.029  -1.342  23.042
  507   2HA   GLY  68          HA3       GLY  68  17.053  -3.106  22.889
  508    H    VAL  69           H        VAL  69  16.170  -0.874  20.225
  509    HA   VAL  69           HA       VAL  69  18.251  -1.899  18.466
  510    HB   VAL  69           HB       VAL  69  16.440   0.539  18.209
  511   1HG1  VAL  69          HG11      VAL  69  18.136  -0.909  16.145
  512   2HG1  VAL  69          HG12      VAL  69  16.919   0.331  15.770
  513   3HG1  VAL  69          HG13      VAL  69  18.346   0.756  16.715
  514   1HG2  VAL  69          HG21      VAL  69  16.043  -2.292  17.181
  515   2HG2  VAL  69          HG22      VAL  69  15.035  -1.403  18.341
  516   3HG2  VAL  69          HG23      VAL  69  15.086  -0.883  16.664
  517    H    MET  70           H        MET  70  20.326  -1.239  18.518
  518    HA   MET  70           HA       MET  70  21.052   1.450  19.585
  519   1HB   MET  70          HB2       MET  70  22.303  -1.238  20.282
  520   2HB   MET  70          HB3       MET  70  23.009   0.329  20.697
  521   1HG   MET  70          HG2       MET  70  20.995   0.907  22.010
  522   2HG   MET  70          HG3       MET  70  20.314  -0.682  21.657
  523   1HE   MET  70          HE1       MET  70  21.083  -0.990  25.452
  524   2HE   MET  70          HE2       MET  70  20.493   0.438  24.574
  525   3HE   MET  70          HE3       MET  70  19.868  -1.177  24.170
  526    H    SER  71           H        SER  71  20.990  -0.353  16.886
  527    HA   SER  71           HA       SER  71  23.339   0.872  15.691
  528   1HB   SER  71          HB2       SER  71  22.733  -2.118  15.455
  529   2HB   SER  71          HB3       SER  71  24.040  -1.246  14.641
  530    HG   SER  71           HG       SER  71  24.758  -2.372  16.506
  531    H    ILE  72           H        ILE  72  23.095   0.735  13.251
  532    HA   ILE  72           HA       ILE  72  20.434   0.033  12.293
  533    HB   ILE  72           HB       ILE  72  20.212   2.154  11.051
  534   1HG1  ILE  72          HG12      ILE  72  22.346   3.293  12.914
  535   2HG1  ILE  72          HG13      ILE  72  22.609   2.910  11.212
  536   1HG2  ILE  72          HG21      ILE  72  20.213   2.637  14.052
  537   2HG2  ILE  72          HG22      ILE  72  19.158   3.374  12.830
  538   3HG2  ILE  72          HG23      ILE  72  19.002   1.659  13.204
  539   1HD1  ILE  72          HD11      ILE  72  22.179   5.279  11.404
  540   2HD1  ILE  72          HD12      ILE  72  20.806   4.511  10.586
  541   3HD1  ILE  72          HD13      ILE  72  20.673   4.999  12.287
  542    HA   PRO  73           HA       PRO  73  19.512   0.443   9.900
  543   1HB   PRO  73          HB2       PRO  73  19.042  -1.527   8.065
  544   2HB   PRO  73          HB3       PRO  73  19.703   0.073   7.632
  545   1HG   PRO  73          HG2       PRO  73  21.210  -2.516   8.080
  546   2HG   PRO  73          HG3       PRO  73  21.411  -1.339   6.747
  547   1HD   PRO  73          HD2       PRO  73  23.048  -1.362   8.939
  548   2HD   PRO  73          HD3       PRO  73  22.586   0.161   8.129
  549    H    THR  74           H        THR  74  17.905  -0.541  11.056
  550    HA   THR  74           HA       THR  74  18.208  -3.418  11.764
  551    HB   THR  74           HB       THR  74  17.618  -1.140  13.696
  552    HG1  THR  74           HG1      THR  74  19.615  -1.442  14.161
  553   1HG2  THR  74          HG21      THR  74  17.273  -4.150  14.022
  554   2HG2  THR  74          HG22      THR  74  17.484  -3.053  15.399
  555   3HG2  THR  74          HG23      THR  74  16.088  -2.868  14.330
  556    H    LEU  75           H        LEU  75  16.249  -4.523  11.825
  557    HA   LEU  75           HA       LEU  75  13.999  -3.069  10.536
  558   1HB   LEU  75          HB2       LEU  75  15.075  -5.844   9.946
  559   2HB   LEU  75          HB3       LEU  75  13.660  -5.116   9.201
  560    HG   LEU  75           HG       LEU  75  16.542  -4.149   8.890
  561   1HD1  LEU  75          HD11      LEU  75  16.119  -6.274   7.782
  562   2HD1  LEU  75          HD12      LEU  75  14.688  -5.598   6.964
  563   3HD1  LEU  75          HD13      LEU  75  16.311  -4.987   6.589
  564   1HD2  LEU  75          HD21      LEU  75  13.966  -3.113   7.629
  565   2HD2  LEU  75          HD22      LEU  75  15.108  -2.234   8.664
  566   3HD2  LEU  75          HD23      LEU  75  15.603  -2.722   7.048
  567    H    LEU  76           H        LEU  76  12.039  -3.469  11.465
  568    HA   LEU  76           HA       LEU  76  11.822  -5.693  13.491
  569   1HB   LEU  76          HB2       LEU  76  10.886  -2.798  13.644
  570   2HB   LEU  76          HB3       LEU  76  10.041  -4.071  14.491
  571    HG   LEU  76           HG       LEU  76  11.593  -2.731  15.910
  572   1HD1  LEU  76          HD11      LEU  76  10.869  -4.959  16.602
  573   2HD1  LEU  76          HD12      LEU  76  12.191  -5.716  15.697
  574   3HD1  LEU  76          HD13      LEU  76  12.543  -4.687  17.099
  575   1HD2  LEU  76          HD21      LEU  76  13.946  -2.980  15.842
  576   2HD2  LEU  76          HD22      LEU  76  13.877  -4.218  14.581
  577   3HD2  LEU  76          HD23      LEU  76  13.446  -2.540  14.197
  578    H    VAL  77           H        VAL  77  10.328  -7.095  12.765
  579    HA   VAL  77           HA       VAL  77   8.483  -6.190  10.598
  580    HB   VAL  77           HB       VAL  77   8.779  -9.025  11.611
  581   1HG1  VAL  77          HG11      VAL  77   6.778  -8.412  10.263
  582   2HG1  VAL  77          HG12      VAL  77   7.837  -7.881   8.945
  583   3HG1  VAL  77          HG13      VAL  77   7.804  -9.591   9.430
  584   1HG2  VAL  77          HG21      VAL  77  10.387  -7.790   9.338
  585   2HG2  VAL  77          HG22      VAL  77  11.038  -8.494  10.831
  586   3HG2  VAL  77          HG23      VAL  77  10.234  -9.530   9.649
  587    H    LEU  78           H        LEU  78   6.468  -5.626  11.364
  588    HA   LEU  78           HA       LEU  78   5.681  -6.581  14.072
  589   1HB   LEU  78          HB2       LEU  78   5.010  -3.907  12.754
  590   2HB   LEU  78          HB3       LEU  78   4.205  -4.571  14.166
  591    HG   LEU  78           HG       LEU  78   6.710  -4.728  15.118
  592   1HD1  LEU  78          HD11      LEU  78   8.020  -2.734  14.494
  593   2HD1  LEU  78          HD12      LEU  78   7.820  -3.832  13.125
  594   3HD1  LEU  78          HD13      LEU  78   6.852  -2.358  13.211
  595   1HD2  LEU  78          HD21      LEU  78   5.138  -2.130  15.124
  596   2HD2  LEU  78          HD22      LEU  78   4.838  -3.521  16.181
  597   3HD2  LEU  78          HD23      LEU  78   6.364  -2.643  16.299
  598    H    LYS  79           H        LYS  79   3.414  -7.027  14.259
  599    HA   LYS  79           HA       LYS  79   1.887  -7.107  11.740
  600   1HB   LYS  79          HB2       LYS  79   2.780  -9.392  12.003
  601   2HB   LYS  79          HB3       LYS  79   2.087  -9.491  13.638
  602   1HG   LYS  79          HG2       LYS  79  -0.172  -9.215  12.690
  603   2HG   LYS  79          HG3       LYS  79   0.526  -9.018  11.065
  604   1HD   LYS  79          HD2       LYS  79   1.354 -11.315  11.106
  605   2HD   LYS  79          HD3       LYS  79   0.751 -11.536  12.768
  606   1HE   LYS  79          HE2       LYS  79  -1.562 -11.144  12.007
  607   2HE   LYS  79          HE3       LYS  79  -0.993 -10.812  10.366
  608   1HZ   LYS  79          HZ1       LYS  79  -1.821 -13.064  10.576
  609   2HZ   LYS  79          HZ2       LYS  79  -0.226 -13.083  10.211
  610   3HZ   LYS  79          HZ3       LYS  79  -0.735 -13.422  11.740
  611    H    ASP  80           H        ASP  80   0.130  -5.974  12.120
  612    HA   ASP  80           HA       ASP  80  -1.550  -4.883  13.134
  613   1HB   ASP  80          HB2       ASP  80  -2.404  -7.185  13.059
  614   2HB   ASP  80          HB3       ASP  80  -1.803  -7.472  14.693
  615    H    GLY  81           H        GLY  81   0.919  -4.148  14.155
  616   1HA   GLY  81          HA2       GLY  81   1.275  -2.374  15.574
  617   2HA   GLY  81          HA3       GLY  81  -0.001  -2.926  16.653
  618    H    GLU  82           H        GLU  82   1.919  -5.688  16.270
  619    HA   GLU  82           HA       GLU  82   3.827  -4.857  18.397
  620   1HB   GLU  82          HB2       GLU  82   3.299  -6.778  19.652
  621   2HB   GLU  82          HB3       GLU  82   1.767  -6.001  19.215
  622   1HG   GLU  82          HG2       GLU  82   1.392  -7.681  17.453
  623   2HG   GLU  82          HG3       GLU  82   2.920  -8.470  17.856
  624    H    VAL  83           H        VAL  83   5.803  -6.151  18.486
  625    HA   VAL  83           HA       VAL  83   6.868  -6.696  15.883
  626    HB   VAL  83           HB       VAL  83   8.018  -7.505  18.575
  627   1HG1  VAL  83          HG11      VAL  83   9.320  -6.985  15.848
  628   2HG1  VAL  83          HG12      VAL  83  10.189  -7.320  17.361
  629   3HG1  VAL  83          HG13      VAL  83   9.162  -8.561  16.651
  630   1HG2  VAL  83          HG21      VAL  83   9.301  -5.380  18.430
  631   2HG2  VAL  83          HG22      VAL  83   8.333  -4.891  17.024
  632   3HG2  VAL  83          HG23      VAL  83   7.576  -5.085  18.622
  633    H    VAL  84           H        VAL  84   6.973  -8.426  14.740
  634    HA   VAL  84           HA       VAL  84   6.148 -11.035  15.875
  635    HB   VAL  84           HB       VAL  84   4.554  -9.763  14.304
  636   1HG1  VAL  84          HG11      VAL  84   6.476 -10.785  12.177
  637   2HG1  VAL  84          HG12      VAL  84   4.850 -10.153  11.889
  638   3HG1  VAL  84          HG13      VAL  84   6.094  -9.089  12.544
  639   1HG2  VAL  84          HG21      VAL  84   5.279 -12.629  13.688
  640   2HG2  VAL  84          HG22      VAL  84   4.194 -12.058  14.971
  641   3HG2  VAL  84          HG23      VAL  84   3.745 -11.814  13.278
  642    H    GLU  85           H        GLU  85   8.659  -9.216  14.084
  643    HA   GLU  85           HA       GLU  85  10.461 -11.420  14.537
  644   1HB   GLU  85          HB2       GLU  85   9.248 -11.197  11.866
  645   2HB   GLU  85          HB3       GLU  85  10.978 -10.949  11.774
  646   1HG   GLU  85          HG2       GLU  85   9.602 -13.365  13.008
  647   2HG   GLU  85          HG3       GLU  85  10.293 -13.272  11.399
  648    H    THR  86           H        THR  86  12.759 -10.724  13.616
  649    HA   THR  86           HA       THR  86  13.093  -7.797  13.410
  650    HB   THR  86           HB       THR  86  14.392  -9.478  15.590
  651    HG1  THR  86           HG1      THR  86  12.009  -8.291  15.493
  652   1HG2  THR  86          HG21      THR  86  15.046  -7.258  16.570
  653   2HG2  THR  86          HG22      THR  86  15.853  -7.615  15.041
  654   3HG2  THR  86          HG23      THR  86  14.491  -6.475  15.074
  655    H    SER  87           H        SER  87  15.197  -7.227  12.547
  656    HA   SER  87           HA       SER  87  17.222  -9.287  12.142
  657   1HB   SER  87          HB2       SER  87  15.810  -7.906   9.821
  658   2HB   SER  87          HB3       SER  87  17.408  -8.655   9.672
  659    HG   SER  87           HG       SER  87  15.417 -10.170  10.876
  660    H    VAL  88           H        VAL  88  19.317  -8.283  11.653
  661    HA   VAL  88           HA       VAL  88  19.437  -5.336  12.046
  662    HB   VAL  88           HB       VAL  88  21.130  -7.401  13.498
  663   1HG1  VAL  88          HG11      VAL  88  20.986  -4.368  13.788
  664   2HG1  VAL  88          HG12      VAL  88  21.927  -5.456  14.828
  665   3HG1  VAL  88          HG13      VAL  88  22.347  -5.298  13.123
  666   1HG2  VAL  88          HG21      VAL  88  20.006  -6.648  15.582
  667   2HG2  VAL  88          HG22      VAL  88  18.881  -5.677  14.614
  668   3HG2  VAL  88          HG23      VAL  88  18.882  -7.450  14.491
  669    H    GLY  89           H        GLY  89  21.051  -4.370  10.796
  670   1HA   GLY  89          HA2       GLY  89  22.847  -4.190   9.366
  671   2HA   GLY  89          HA3       GLY  89  23.196  -5.912   9.557
  672    H    PHE  90           H        PHE  90  23.559  -5.330   7.118
  673    HA   PHE  90           HA       PHE  90  21.339  -5.010   5.365
  674   1HB   PHE  90          HB2       PHE  90  23.709  -4.577   4.735
  675   2HB   PHE  90          HB3       PHE  90  24.073  -6.292   4.896
  676    HD1  PHE  90           HD1      PHE  90  22.491  -3.711   2.790
  677    HD2  PHE  90           HD2      PHE  90  23.267  -7.934   3.214
  678    HE1  PHE  90           HE1      PHE  90  21.811  -4.079   0.427
  679    HE2  PHE  90           HE2      PHE  90  22.576  -8.295   0.859
  680    HZ   PHE  90           HZ       PHE  90  21.846  -6.369  -0.537
  681    H    LYS  91           H        LYS  91  20.165  -6.429   4.116
  682    HA   LYS  91           HA       LYS  91  20.299  -9.283   4.646
  683   1HB   LYS  91          HB2       LYS  91  18.667  -7.641   6.286
  684   2HB   LYS  91          HB3       LYS  91  17.567  -8.134   5.026
  685   1HG   LYS  91          HG2       LYS  91  17.431  -9.611   6.932
  686   2HG   LYS  91          HG3       LYS  91  17.988 -10.486   5.502
  687   1HD   LYS  91          HD2       LYS  91  19.191 -11.251   7.484
  688   2HD   LYS  91          HD3       LYS  91  20.307 -10.459   6.385
  689   1HE   LYS  91          HE2       LYS  91  19.721  -8.305   7.882
  690   2HE   LYS  91          HE3       LYS  91  19.244  -9.536   9.061
  691   1HZ   LYS  91          HZ1       LYS  91  21.523  -8.884   9.345
  692   2HZ   LYS  91          HZ2       LYS  91  21.528 -10.444   8.821
  693   3HZ   LYS  91          HZ3       LYS  91  21.886  -9.207   7.780
  694    HA   PRO  92           HA       PRO  92  18.933  -8.762   0.404
  695   1HB   PRO  92          HB2       PRO  92  18.424 -11.339  -0.324
  696   2HB   PRO  92          HB3       PRO  92  20.081 -10.715  -0.072
  697   1HG   PRO  92          HG2       PRO  92  18.358 -12.290   1.856
  698   2HG   PRO  92          HG3       PRO  92  20.080 -12.560   1.442
  699   1HD   PRO  92          HD2       PRO  92  19.293 -11.177   3.675
  700   2HD   PRO  92          HD3       PRO  92  20.778 -10.751   2.773
  701    H    LYS  93           H        LYS  93  16.974  -8.831  -0.833
  702    HA   LYS  93           HA       LYS  93  14.644  -8.368   0.715
  703   1HB   LYS  93          HB2       LYS  93  13.440  -8.226  -1.436
  704   2HB   LYS  93          HB3       LYS  93  14.889  -7.244  -1.403
  705   1HG   LYS  93          HG2       LYS  93  16.093  -9.059  -2.685
  706   2HG   LYS  93          HG3       LYS  93  14.546  -9.932  -2.792
  707   1HD   LYS  93          HD2       LYS  93  13.580  -7.904  -3.938
  708   2HD   LYS  93          HD3       LYS  93  15.215  -7.191  -3.934
  709   1HE   LYS  93          HE2       LYS  93  16.078  -9.098  -5.235
  710   2HE   LYS  93          HE3       LYS  93  14.508  -9.913  -5.131
  711   1HZ   LYS  93          HZ1       LYS  93  14.761  -8.840  -7.251
  712   2HZ   LYS  93          HZ2       LYS  93  13.544  -8.118  -6.418
  713   3HZ   LYS  93          HZ3       LYS  93  15.022  -7.373  -6.564
  714    H    GLU  94           H        GLU  94  15.777 -11.284  -0.976
  715    HA   GLU  94           HA       GLU  94  13.357 -12.728  -0.849
  716   1HB   GLU  94          HB2       GLU  94  16.197 -13.846  -0.735
  717   2HB   GLU  94          HB3       GLU  94  14.726 -14.730  -1.123
  718   1HG   GLU  94          HG2       GLU  94  15.354 -14.353  -3.246
  719   2HG   GLU  94          HG3       GLU  94  14.502 -12.831  -3.023
  720    H    ALA  95           H        ALA  95  16.020 -12.451   1.569
  721    HA   ALA  95           HA       ALA  95  14.940 -14.410   3.355
  722   1HB   ALA  95          HB1       ALA  95  16.798 -12.050   3.903
  723   2HB   ALA  95          HB2       ALA  95  16.463 -13.382   5.027
  724   3HB   ALA  95          HB3       ALA  95  17.290 -13.716   3.495
  725    H    LEU  96           H        LEU  96  14.674 -10.860   3.136
  726    HA   LEU  96           HA       LEU  96  12.978 -10.554   5.401
  727   1HB   LEU  96          HB2       LEU  96  13.202  -8.830   2.903
  728   2HB   LEU  96          HB3       LEU  96  12.366  -8.370   4.389
  729    HG   LEU  96           HG       LEU  96  15.351  -8.927   4.144
  730   1HD1  LEU  96          HD11      LEU  96  14.671  -6.835   3.063
  731   2HD1  LEU  96          HD12      LEU  96  13.826  -6.323   4.542
  732   3HD1  LEU  96          HD13      LEU  96  15.592  -6.511   4.534
  733   1HD2  LEU  96          HD21      LEU  96  14.613  -9.546   6.393
  734   2HD2  LEU  96          HD22      LEU  96  15.500  -8.038   6.449
  735   3HD2  LEU  96          HD23      LEU  96  13.726  -8.012   6.555
  736    H    GLN  97           H        GLN  97  12.216 -11.165   1.972
  737    HA   GLN  97           HA       GLN  97   9.400 -11.094   2.266
  738   1HB   GLN  97          HB2       GLN  97  11.334 -12.350   0.299
  739   2HB   GLN  97          HB3       GLN  97   9.657 -12.908   0.273
  740   1HG   GLN  97          HG2       GLN  97   8.800 -10.766  -0.088
  741   2HG   GLN  97          HG3       GLN  97  10.345  -9.966   0.249
  742   1HE2  GLN  97          HE22      GLN  97  11.870  -9.761  -1.383
  743   2HE2  GLN  97          HE21      GLN  97  11.415 -10.024  -3.074
  744    H    GLU  98           H        GLU  98  11.705 -13.804   2.777
  745    HA   GLU  98           HA       GLU  98   9.637 -15.679   3.332
  746   1HB   GLU  98          HB2       GLU  98  12.557 -15.566   4.177
  747   2HB   GLU  98          HB3       GLU  98  11.496 -16.880   4.670
  748   1HG   GLU  98          HG2       GLU  98  12.000 -16.123   1.760
  749   2HG   GLU  98          HG3       GLU  98  12.904 -17.348   2.637
  750    H    LEU  99           H        LEU  99  11.393 -13.413   5.490
  751    HA   LEU  99           HA       LEU  99  10.036 -14.309   7.869
  752   1HB   LEU  99          HB2       LEU  99  11.204 -11.558   7.279
  753   2HB   LEU  99          HB3       LEU  99  10.628 -12.111   8.847
  754    HG   LEU  99           HG       LEU  99  13.030 -13.154   7.311
  755   1HD1  LEU  99          HD11      LEU  99  13.317 -11.035   8.549
  756   2HD1  LEU  99          HD12      LEU  99  12.764 -11.828  10.041
  757   3HD1  LEU  99          HD13      LEU  99  14.273 -12.342   9.257
  758   1HD2  LEU  99          HD21      LEU  99  12.034 -15.125   8.324
  759   2HD2  LEU  99          HD22      LEU  99  13.445 -14.647   9.270
  760   3HD2  LEU  99          HD23      LEU  99  11.816 -14.270   9.871
  761    H    VAL 100           H        VAL 100   9.156 -11.719   5.527
  762    HA   VAL 100           HA       VAL 100   6.734 -10.938   6.768
  763    HB   VAL 100           HB       VAL 100   7.686 -11.045   3.885
  764   1HG1  VAL 100          HG11      VAL 100   5.125  -9.747   4.871
  765   2HG1  VAL 100          HG12      VAL 100   5.876  -9.481   3.277
  766   3HG1  VAL 100          HG13      VAL 100   5.282 -11.084   3.708
  767   1HG2  VAL 100          HG21      VAL 100   7.264  -8.609   5.651
  768   2HG2  VAL 100          HG22      VAL 100   8.814  -9.449   5.513
  769   3HG2  VAL 100          HG23      VAL 100   8.104  -8.722   4.077
  770    H    ASN 101           H        ASN 101   7.406 -13.525   4.414
  771    HA   ASN 101           HA       ASN 101   4.763 -14.395   4.025
  772   1HB   ASN 101          HB2       ASN 101   6.745 -14.826   2.572
  773   2HB   ASN 101          HB3       ASN 101   7.344 -15.995   3.753
  774   1HD2  ASN 101          HD22      ASN 101   5.468 -15.551   0.976
  775   2HD2  ASN 101          HD21      ASN 101   4.663 -17.101   0.951
  776    H    LYS 102           H        LYS 102   7.120 -15.330   6.551
  777    HA   LYS 102           HA       LYS 102   5.746 -17.592   7.587
  778   1HB   LYS 102          HB2       LYS 102   7.453 -15.479   8.969
  779   2HB   LYS 102          HB3       LYS 102   6.787 -16.872   9.807
  780   1HG   LYS 102          HG2       LYS 102   8.005 -18.406   8.298
  781   2HG   LYS 102          HG3       LYS 102   8.745 -17.017   7.487
  782   1HD   LYS 102          HD2       LYS 102   9.739 -16.282   9.645
  783   2HD   LYS 102          HD3       LYS 102   9.026 -17.704  10.439
  784   1HE   LYS 102          HE2       LYS 102  10.294 -19.178   8.860
  785   2HE   LYS 102          HE3       LYS 102  11.046 -17.746   8.147
  786   1HZ   LYS 102          HZ1       LYS 102  11.348 -18.627  10.964
  787   2HZ   LYS 102          HZ2       LYS 102  12.477 -18.758   9.801
  788   3HZ   LYS 102          HZ3       LYS 102  12.034 -17.282  10.334
  789    H    HIS 103           H        HIS 103   4.856 -14.174   7.766
  790    HA   HIS 103           HA       HIS 103   2.844 -14.848   9.868
  791   1HB   HIS 103          HB2       HIS 103   4.411 -12.277   9.517
  792   2HB   HIS 103          HB3       HIS 103   3.253 -12.641  10.799
  793    HD1  HIS 103           HD1      HIS 103   4.082 -15.165  12.158
  794    HD2  HIS 103           HD2      HIS 103   6.879 -12.689  10.219
  795    HE1  HIS 103           HE1      HIS 103   6.368 -15.818  13.063
  796    H    LEU 104           H        LEU 104   3.179 -13.525   6.656
  797    HA   LEU 104           HA       LEU 104   0.755 -12.028   6.586
  798   1HB   LEU 104          HB2       LEU 104   2.253 -13.648   4.490
  799   2HB   LEU 104          HB3       LEU 104   0.695 -12.918   4.133
  800    HG   LEU 104           HG       LEU 104   3.188 -11.390   4.954
  801   1HD1  LEU 104          HD11      LEU 104   1.721 -11.622   2.283
  802   2HD1  LEU 104          HD12      LEU 104   3.123 -10.583   2.608
  803   3HD1  LEU 104          HD13      LEU 104   3.296 -12.344   2.675
  804   1HD2  LEU 104          HD21      LEU 104   0.412 -10.398   4.166
  805   2HD2  LEU 104          HD22      LEU 104   1.226 -10.146   5.720
  806   3HD2  LEU 104          HD23      LEU 104   1.860  -9.369   4.276
  Start of MODEL   14
    1   1H    MET   1          H1        MET   1   0.102  -1.582  -1.438
    2   2H    MET   1          H2        MET   1  -1.245  -0.705  -1.073
    3   3H    MET   1          H3        MET   1  -0.131  -0.116  -2.128
    4    HA   MET   1           HA       MET   1   0.066   0.975  -0.012
    5   1HB   MET   1          HB2       MET   1  -0.791  -0.950   1.302
    6   2HB   MET   1          HB3       MET   1   0.709  -1.822   1.024
    7   1HG   MET   1          HG2       MET   1   0.544  -0.765   3.248
    8   2HG   MET   1          HG3       MET   1   1.960  -0.266   2.339
    9   1HE   MET   1          HE1       MET   1  -1.691   2.404   3.371
   10   2HE   MET   1          HE2       MET   1  -1.860   1.032   2.258
   11   3HE   MET   1          HE3       MET   1  -1.426   0.749   3.960
   12    H    ALA   2           H        ALA   2   2.339   1.434   0.979
   13    HA   ALA   2           HA       ALA   2   4.503   0.715  -0.898
   14   1HB   ALA   2          HB1       ALA   2   3.526   3.562  -0.414
   15   2HB   ALA   2          HB2       ALA   2   4.901   3.077  -1.429
   16   3HB   ALA   2          HB3       ALA   2   3.259   2.627  -1.906
   17    H    ILE   3           H        ILE   3   6.468   2.359  -0.137
   18    HA   ILE   3           HA       ILE   3   7.008   1.872   2.675
   19    HB   ILE   3           HB       ILE   3   8.363   3.614   0.578
   20   1HG1  ILE   3          HG12      ILE   3   9.727   1.153   1.628
   21   2HG1  ILE   3          HG13      ILE   3   8.327   0.847   0.615
   22   1HG2  ILE   3          HG21      ILE   3  10.376   3.582   2.088
   23   2HG2  ILE   3          HG22      ILE   3   9.023   4.489   2.755
   24   3HG2  ILE   3          HG23      ILE   3   9.370   2.855   3.358
   25   1HD1  ILE   3          HD11      ILE   3  10.660   2.614  -0.203
   26   2HD1  ILE   3          HD12      ILE   3  10.403   0.927  -0.686
   27   3HD1  ILE   3          HD13      ILE   3   9.237   2.176  -1.192
   28    H    VAL   4           H        VAL   4   6.917   3.362   4.325
   29    HA   VAL   4           HA       VAL   4   5.675   6.022   3.908
   30    HB   VAL   4           HB       VAL   4   4.943   3.965   6.043
   31   1HG1  VAL   4          HG11      VAL   4   2.983   5.471   6.479
   32   2HG1  VAL   4          HG12      VAL   4   4.522   6.163   6.927
   33   3HG1  VAL   4          HG13      VAL   4   3.725   6.683   5.416
   34   1HG2  VAL   4          HG21      VAL   4   3.378   4.768   3.552
   35   2HG2  VAL   4          HG22      VAL   4   4.012   3.155   3.948
   36   3HG2  VAL   4          HG23      VAL   4   2.703   3.834   4.902
   37    H    LYS   5           H        LYS   5   6.080   7.330   5.969
   38    HA   LYS   5           HA       LYS   5   8.663   6.620   7.275
   39   1HB   LYS   5          HB2       LYS   5   8.795   8.461   5.528
   40   2HB   LYS   5          HB3       LYS   5   7.789   9.441   6.588
   41   1HG   LYS   5          HG2       LYS   5   9.453   9.788   8.129
   42   2HG   LYS   5          HG3       LYS   5  10.155   8.180   7.936
   43   1HD   LYS   5          HD2       LYS   5  10.423  10.381   5.857
   44   2HD   LYS   5          HD3       LYS   5  11.631  10.059   7.117
   45   1HE   LYS   5          HE2       LYS   5  12.135   7.891   6.284
   46   2HE   LYS   5          HE3       LYS   5  10.663   7.803   5.331
   47   1HZ   LYS   5          HZ1       LYS   5  11.582   9.505   3.848
   48   2HZ   LYS   5          HZ2       LYS   5  12.943   9.628   4.737
   49   3HZ   LYS   5          HZ3       LYS   5  12.611   8.250   3.929
   50    H    ALA   6           H        ALA   6   8.625   7.166   9.560
   51    HA   ALA   6           HA       ALA   6   6.122   8.297  10.674
   52   1HB   ALA   6          HB1       ALA   6   5.816   6.348  12.172
   53   2HB   ALA   6          HB2       ALA   6   5.679   5.863  10.476
   54   3HB   ALA   6          HB3       ALA   6   7.175   5.522  11.380
   55    H    THR   7           H        THR   7   6.259   8.508  13.040
   56    HA   THR   7           HA       THR   7   8.948   8.622  14.219
   57    HB   THR   7           HB       THR   7   8.082  10.699  15.444
   58    HG1  THR   7           HG1      THR   7   6.491  11.890  14.383
   59   1HG2  THR   7          HG21      THR   7   8.771  12.278  13.668
   60   2HG2  THR   7          HG22      THR   7   9.836  10.869  13.699
   61   3HG2  THR   7          HG23      THR   7   8.592  11.004  12.440
   62    H    ASP   8           H        ASP   8   8.659   8.730  16.675
   63    HA   ASP   8           HA       ASP   8   7.247   6.609  17.634
   64   1HB   ASP   8          HB2       ASP   8   9.045   8.001  18.811
   65   2HB   ASP   8          HB3       ASP   8   7.771   9.115  19.274
   66    H    GLN   9           H        GLN   9   5.991   9.835  17.140
   67    HA   GLN   9           HA       GLN   9   3.676   9.782  18.760
   68   1HB   GLN   9          HB2       GLN   9   4.238  11.227  16.136
   69   2HB   GLN   9          HB3       GLN   9   2.902  11.600  17.231
   70   1HG   GLN   9          HG2       GLN   9   4.523  12.163  19.033
   71   2HG   GLN   9          HG3       GLN   9   5.864  11.853  17.927
   72   1HE2  GLN   9          HE22      GLN   9   3.260  14.112  18.755
   73   2HE2  GLN   9          HE21      GLN   9   3.760  15.382  17.667
   74    H    SER  10           H        SER  10   4.288   8.377  15.579
   75    HA   SER  10           HA       SER  10   1.423   7.535  15.364
   76   1HB   SER  10          HB2       SER  10   3.165   8.598  13.112
   77   2HB   SER  10          HB3       SER  10   1.450   8.159  13.025
   78    HG   SER  10           HG       SER  10   1.764  10.420  13.243
   79    H    PHE  11           H        PHE  11   4.650   6.439  15.370
   80    HA   PHE  11           HA       PHE  11   4.773   4.508  13.413
   81   1HB   PHE  11          HB2       PHE  11   6.595   5.160  14.956
   82   2HB   PHE  11          HB3       PHE  11   5.780   4.350  16.287
   83    HD1  PHE  11           HD1      PHE  11   6.067   1.971  16.624
   84    HD2  PHE  11           HD2      PHE  11   7.421   3.833  12.973
   85    HE1  PHE  11           HE1      PHE  11   7.261  -0.109  15.994
   86    HE2  PHE  11           HE2      PHE  11   8.610   1.760  12.354
   87    HZ   PHE  11           HZ       PHE  11   8.528  -0.225  13.869
   88    H    SER  12           H        SER  12   3.247   4.106  16.672
   89    HA   SER  12           HA       SER  12   2.531   1.421  16.358
   90   1HB   SER  12          HB2       SER  12   0.970   3.509  17.913
   91   2HB   SER  12          HB3       SER  12   1.125   1.777  18.266
   92    HG   SER  12           HG       SER  12   2.494   3.072  19.581
   93    H    ALA  13           H        ALA  13   0.814   4.358  15.304
   94    HA   ALA  13           HA       ALA  13  -1.617   3.011  14.597
   95   1HB   ALA  13          HB1       ALA  13  -1.537   5.450  15.029
   96   2HB   ALA  13          HB2       ALA  13  -0.508   5.671  13.594
   97   3HB   ALA  13          HB3       ALA  13  -2.172   5.090  13.412
   98    H    GLU  14           H        GLU  14   1.328   3.981  12.818
   99    HA   GLU  14           HA       GLU  14   0.402   3.081  10.281
  100   1HB   GLU  14          HB2       GLU  14   3.222   3.495  11.368
  101   2HB   GLU  14          HB3       GLU  14   2.906   3.002   9.710
  102   1HG   GLU  14          HG2       GLU  14   2.011   5.596  11.014
  103   2HG   GLU  14          HG3       GLU  14   3.284   5.397   9.810
  104    H    THR  15           H        THR  15   2.247   1.407  12.855
  105    HA   THR  15           HA       THR  15   2.532  -0.988  11.304
  106    HB   THR  15           HB       THR  15   3.521  -1.848  13.444
  107    HG1  THR  15           HG1      THR  15   3.338   0.834  14.299
  108   1HG2  THR  15          HG21      THR  15   5.018  -0.922  11.805
  109   2HG2  THR  15          HG22      THR  15   4.601   0.747  12.250
  110   3HG2  THR  15          HG23      THR  15   5.493  -0.277  13.381
  111    H    SER  16           H        SER  16  -0.204   0.168  12.810
  112    HA   SER  16           HA       SER  16  -1.111  -2.356  13.851
  113   1HB   SER  16          HB2       SER  16  -2.563   0.213  13.133
  114   2HB   SER  16          HB3       SER  16  -3.338  -1.170  13.920
  115    HG   SER  16           HG       SER  16  -1.105   0.283  14.967
  116    H    GLU  17           H        GLU  17  -0.990  -1.016  10.652
  117    HA   GLU  17           HA       GLU  17  -3.338  -2.500   9.762
  118   1HB   GLU  17          HB2       GLU  17  -1.431  -0.676   8.250
  119   2HB   GLU  17          HB3       GLU  17  -2.898  -1.413   7.577
  120   1HG   GLU  17          HG2       GLU  17  -4.224  -0.301   9.420
  121   2HG   GLU  17          HG3       GLU  17  -2.761   0.576   9.880
  122    H    GLY  18           H        GLY  18  -2.296  -4.594  10.465
  123   1HA   GLY  18          HA2       GLY  18  -2.043  -6.704   9.503
  124   2HA   GLY  18          HA3       GLY  18  -1.571  -5.959   7.970
  125    H    VAL  19           H        VAL  19   0.238  -7.328   7.765
  126    HA   VAL  19           HA       VAL  19   2.444  -7.242   9.701
  127    HB   VAL  19           HB       VAL  19   2.383  -8.203   6.799
  128   1HG1  VAL  19          HG11      VAL  19   4.517  -8.582   8.958
  129   2HG1  VAL  19          HG12      VAL  19   4.520  -9.353   7.359
  130   3HG1  VAL  19          HG13      VAL  19   4.703  -7.604   7.491
  131   1HG2  VAL  19          HG21      VAL  19   2.299  -9.777   9.413
  132   2HG2  VAL  19          HG22      VAL  19   0.959  -9.612   8.256
  133   3HG2  VAL  19          HG23      VAL  19   2.422 -10.477   7.786
  134    H    VAL  20           H        VAL  20   4.031  -5.750   9.714
  135    HA   VAL  20           HA       VAL  20   4.342  -3.856   7.469
  136    HB   VAL  20           HB       VAL  20   4.022  -3.103  10.416
  137   1HG1  VAL  20          HG11      VAL  20   4.529  -1.392   7.944
  138   2HG1  VAL  20          HG12      VAL  20   4.087  -0.750   9.536
  139   3HG1  VAL  20          HG13      VAL  20   5.617  -1.603   9.327
  140   1HG2  VAL  20          HG21      VAL  20   1.983  -1.790   9.453
  141   2HG2  VAL  20          HG22      VAL  20   2.145  -2.811   8.029
  142   3HG2  VAL  20          HG23      VAL  20   1.817  -3.539   9.610
  143    H    LEU  21           H        LEU  21   6.515  -3.347   7.174
  144    HA   LEU  21           HA       LEU  21   8.455  -4.715   9.002
  145   1HB   LEU  21          HB2       LEU  21   8.066  -5.780   6.770
  146   2HB   LEU  21          HB3       LEU  21   8.726  -4.323   6.006
  147    HG   LEU  21           HG       LEU  21  10.123  -6.288   7.878
  148   1HD1  LEU  21          HD11      LEU  21  11.497  -6.802   5.904
  149   2HD1  LEU  21          HD12      LEU  21   9.784  -7.062   5.563
  150   3HD1  LEU  21          HD13      LEU  21  10.596  -5.606   4.945
  151   1HD2  LEU  21          HD21      LEU  21  11.202  -3.681   6.748
  152   2HD2  LEU  21          HD22      LEU  21  11.180  -4.237   8.450
  153   3HD2  LEU  21          HD23      LEU  21  12.230  -5.018   7.282
  154    H    ALA  22           H        ALA  22   9.335  -3.186  10.192
  155    HA   ALA  22           HA       ALA  22   9.417  -0.401   9.224
  156   1HB   ALA  22          HB1       ALA  22   8.409  -0.748  11.423
  157   2HB   ALA  22          HB2       ALA  22   9.853  -1.639  11.961
  158   3HB   ALA  22          HB3       ALA  22   9.967   0.096  11.599
  159    H    ASP  23           H        ASP  23  11.370   0.727   9.204
  160    HA   ASP  23           HA       ASP  23  13.906  -0.861   9.273
  161   1HB   ASP  23          HB2       ASP  23  13.344  -0.653   6.968
  162   2HB   ASP  23          HB3       ASP  23  12.850   1.029   7.160
  163    H    PHE  24           H        PHE  24  14.598  -0.143  11.166
  164    HA   PHE  24           HA       PHE  24  14.528   2.668  11.998
  165   1HB   PHE  24          HB2       PHE  24  15.675   0.117  13.218
  166   2HB   PHE  24          HB3       PHE  24  15.937   1.716  13.884
  167    HD1  PHE  24           HD1      PHE  24  13.085  -0.521  12.777
  168    HD2  PHE  24           HD2      PHE  24  14.437   2.533  15.511
  169    HE1  PHE  24           HE1      PHE  24  10.857  -0.468  13.842
  170    HE2  PHE  24           HE2      PHE  24  12.203   2.575  16.557
  171    HZ   PHE  24           HZ       PHE  24  10.380   1.125  15.672
  172    H    TRP  25           H        TRP  25  15.906   4.016  11.086
  173    HA   TRP  25           HA       TRP  25  18.610   3.236  10.370
  174   1HB   TRP  25          HB2       TRP  25  18.282   2.953   8.191
  175   2HB   TRP  25          HB3       TRP  25  16.567   2.947   8.465
  176    HD1  TRP  25           HD1      TRP  25  19.199   4.729   6.602
  177    HE1  TRP  25           HE1      TRP  25  18.265   6.777   5.394
  178    HE3  TRP  25           HE3      TRP  25  14.756   5.177   9.065
  179    HZ2  TRP  25           HZ2      TRP  25  16.132   8.672   5.799
  180    HZ3  TRP  25           HZ3      TRP  25  13.351   7.217   8.743
  181    HH2  TRP  25           HH2      TRP  25  14.073   8.992   7.163
  182    H    ALA  26           H        ALA  26  19.400   5.494   9.016
  183    HA   ALA  26           HA       ALA  26  18.084   7.861   9.936
  184   1HB   ALA  26          HB1       ALA  26  20.981   7.412  10.841
  185   2HB   ALA  26          HB2       ALA  26  19.995   8.886  11.055
  186   3HB   ALA  26          HB3       ALA  26  19.568   7.414  11.926
  187    HA   PRO  27           HA       PRO  27  19.921   8.573   5.939
  188   1HB   PRO  27          HB2       PRO  27  19.935  11.297   5.652
  189   2HB   PRO  27          HB3       PRO  27  18.477  10.269   5.546
  190   1HG   PRO  27          HG2       PRO  27  19.478  11.860   7.931
  191   2HG   PRO  27          HG3       PRO  27  17.802  11.750   7.301
  192   1HD   PRO  27          HD2       PRO  27  18.695  10.264   9.430
  193   2HD   PRO  27          HD3       PRO  27  17.478   9.637   8.277
  194    H    TRP  28           H        TRP  28  21.483   9.692   8.833
  195    HA   TRP  28           HA       TRP  28  23.959  10.425   7.564
  196   1HB   TRP  28          HB2       TRP  28  23.950   9.542  10.393
  197   2HB   TRP  28          HB3       TRP  28  24.708  10.938   9.644
  198    HD1  TRP  28           HD1      TRP  28  21.943   9.913  11.732
  199    HE1  TRP  28           HE1      TRP  28  20.061  11.638  11.978
  200    HE3  TRP  28           HE3      TRP  28  23.418  13.162   8.091
  201    HZ2  TRP  28           HZ2      TRP  28  19.334  14.180  10.761
  202    HZ3  TRP  28           HZ3      TRP  28  22.103  15.214   7.624
  203    HH2  TRP  28           HH2      TRP  28  20.063  15.732   8.951
  204    H    CYS  29           H        CYS  29  22.401   7.431   8.051
  205    HA   CYS  29           HA       CYS  29  24.514   5.697   8.784
  206   1HB   CYS  29          HB2       CYS  29  21.985   5.305   8.865
  207   2HB   CYS  29          HB3       CYS  29  22.039   5.122   7.140
  208    H    GLY  30           H        GLY  30  25.531   4.069   7.387
  209   1HA   GLY  30          HA2       GLY  30  25.864   4.836   4.504
  210   2HA   GLY  30          HA3       GLY  30  27.110   4.075   5.493
  211    HA   PRO  31           HA       PRO  31  25.661  -0.026   4.641
  212   1HB   PRO  31          HB2       PRO  31  24.564  -0.439   7.423
  213   2HB   PRO  31          HB3       PRO  31  25.660  -1.492   6.482
  214   1HG   PRO  31          HG2       PRO  31  26.635   0.087   8.458
  215   2HG   PRO  31          HG3       PRO  31  27.517  -0.049   6.902
  216   1HD   PRO  31          HD2       PRO  31  25.657   2.167   7.812
  217   2HD   PRO  31          HD3       PRO  31  27.246   2.289   6.998
  218    H    CYS  32           H        CYS  32  23.197   1.829   6.474
  219    HA   CYS  32           HA       CYS  32  20.902   0.417   5.681
  220   1HB   CYS  32          HB2       CYS  32  21.058   3.429   5.926
  221   2HB   CYS  32          HB3       CYS  32  19.668   2.390   6.174
  222    H    LYS  33           H        LYS  33  22.897   2.738   3.832
  223    HA   LYS  33           HA       LYS  33  20.932   3.220   1.793
  224   1HB   LYS  33          HB2       LYS  33  23.944   3.502   1.512
  225   2HB   LYS  33          HB3       LYS  33  22.696   4.347   0.609
  226   1HG   LYS  33          HG2       LYS  33  23.371   4.737   3.558
  227   2HG   LYS  33          HG3       LYS  33  23.796   5.805   2.230
  228   1HD   LYS  33          HD2       LYS  33  21.450   6.399   1.874
  229   2HD   LYS  33          HD3       LYS  33  20.917   5.185   3.041
  230   1HE   LYS  33          HE2       LYS  33  20.866   7.426   4.059
  231   2HE   LYS  33          HE3       LYS  33  22.017   6.349   4.883
  232   1HZ   LYS  33          HZ1       LYS  33  23.800   7.473   3.967
  233   2HZ   LYS  33          HZ2       LYS  33  22.904   8.278   2.820
  234   3HZ   LYS  33          HZ3       LYS  33  22.789   8.662   4.411
  235    H    MET  34           H        MET  34  23.158   0.570   2.428
  236    HA   MET  34           HA       MET  34  23.251  -0.420  -0.267
  237   1HB   MET  34          HB2       MET  34  23.601  -1.955   2.336
  238   2HB   MET  34          HB3       MET  34  24.083  -2.485   0.723
  239   1HG   MET  34          HG2       MET  34  25.644  -0.497   0.628
  240   2HG   MET  34          HG3       MET  34  25.251  -0.176   2.316
  241   1HE   MET  34          HE1       MET  34  26.636  -3.558   4.003
  242   2HE   MET  34          HE2       MET  34  25.457  -2.240   4.174
  243   3HE   MET  34          HE3       MET  34  25.101  -3.620   3.117
  244    H    ILE  35           H        ILE  35  21.161  -1.043   2.591
  245    HA   ILE  35           HA       ILE  35  19.641  -3.007   1.093
  246    HB   ILE  35           HB       ILE  35  20.230  -3.403   3.421
  247   1HG1  ILE  35          HG12      ILE  35  17.228  -3.329   2.964
  248   2HG1  ILE  35          HG13      ILE  35  18.339  -4.540   2.318
  249   1HG2  ILE  35          HG21      ILE  35  20.051  -1.155   4.338
  250   2HG2  ILE  35          HG22      ILE  35  18.281  -1.179   4.130
  251   3HG2  ILE  35          HG23      ILE  35  19.083  -2.277   5.274
  252   1HD1  ILE  35          HD11      ILE  35  17.258  -5.454   4.255
  253   2HD1  ILE  35          HD12      ILE  35  18.948  -5.156   4.685
  254   3HD1  ILE  35          HD13      ILE  35  17.670  -4.052   5.248
  255    H    ALA  36           H        ALA  36  19.260   0.443   1.813
  256    HA   ALA  36           HA       ALA  36  16.569   0.793   1.563
  257   1HB   ALA  36          HB1       ALA  36  18.738   2.544   0.341
  258   2HB   ALA  36          HB2       ALA  36  17.058   3.030   0.644
  259   3HB   ALA  36          HB3       ALA  36  18.118   2.609   2.003
  260    HA   PRO  37           HA       PRO  37  16.374   0.677  -3.194
  261   1HB   PRO  37          HB2       PRO  37  18.286  -0.685  -4.649
  262   2HB   PRO  37          HB3       PRO  37  18.325   1.076  -4.333
  263   1HG   PRO  37          HG2       PRO  37  19.762  -1.123  -2.820
  264   2HG   PRO  37          HG3       PRO  37  20.429   0.431  -3.415
  265   1HD   PRO  37          HD2       PRO  37  19.654   0.137  -0.853
  266   2HD   PRO  37          HD3       PRO  37  19.323   1.659  -1.724
  267    H    VAL  38           H        VAL  38  17.802  -2.032  -1.381
  268    HA   VAL  38           HA       VAL  38  16.347  -4.059  -2.791
  269    HB   VAL  38           HB       VAL  38  17.352  -4.299   0.069
  270   1HG1  VAL  38          HG11      VAL  38  16.975  -6.283  -2.214
  271   2HG1  VAL  38          HG12      VAL  38  17.572  -6.677  -0.576
  272   3HG1  VAL  38          HG13      VAL  38  15.910  -6.122  -0.810
  273   1HG2  VAL  38          HG21      VAL  38  19.461  -5.203  -0.865
  274   2HG2  VAL  38          HG22      VAL  38  18.954  -4.712  -2.497
  275   3HG2  VAL  38          HG23      VAL  38  19.277  -3.493  -1.246
  276    H    LEU  39           H        LEU  39  15.684  -2.043   0.157
  277    HA   LEU  39           HA       LEU  39  13.154  -3.203   0.710
  278   1HB   LEU  39          HB2       LEU  39  14.115  -0.355   1.194
  279   2HB   LEU  39          HB3       LEU  39  12.606  -1.009   1.801
  280    HG   LEU  39           HG       LEU  39  15.357  -2.074   2.521
  281   1HD1  LEU  39          HD11      LEU  39  14.970  -1.015   4.704
  282   2HD1  LEU  39          HD12      LEU  39  14.951   0.190   3.410
  283   3HD1  LEU  39          HD13      LEU  39  13.422  -0.354   4.129
  284   1HD2  LEU  39          HD21      LEU  39  13.637  -3.836   2.692
  285   2HD2  LEU  39          HD22      LEU  39  14.157  -3.325   4.299
  286   3HD2  LEU  39          HD23      LEU  39  12.602  -2.756   3.649
  287    H    GLU  40           H        GLU  40  14.058  -0.545  -1.566
  288    HA   GLU  40           HA       GLU  40  11.365  -0.052  -2.358
  289   1HB   GLU  40          HB2       GLU  40  13.955   0.286  -3.913
  290   2HB   GLU  40          HB3       GLU  40  12.370   0.793  -4.502
  291   1HG   GLU  40          HG2       GLU  40  12.088   2.253  -2.512
  292   2HG   GLU  40          HG3       GLU  40  13.696   1.800  -1.949
  293    H    GLU  41           H        GLU  41  13.744  -2.408  -3.674
  294    HA   GLU  41           HA       GLU  41  11.932  -3.414  -5.649
  295   1HB   GLU  41          HB2       GLU  41  14.366  -4.679  -4.347
  296   2HB   GLU  41          HB3       GLU  41  13.469  -5.404  -5.682
  297   1HG   GLU  41          HG2       GLU  41  14.903  -2.719  -5.782
  298   2HG   GLU  41          HG3       GLU  41  15.482  -4.227  -6.466
  299    H    LEU  42           H        LEU  42  12.491  -4.308  -2.274
  300    HA   LEU  42           HA       LEU  42  10.798  -6.588  -2.185
  301   1HB   LEU  42          HB2       LEU  42  12.575  -5.875  -0.544
  302   2HB   LEU  42          HB3       LEU  42  11.510  -4.614   0.043
  303    HG   LEU  42           HG       LEU  42  11.751  -6.625   1.449
  304   1HD1  LEU  42          HD11      LEU  42   8.870  -6.198   0.611
  305   2HD1  LEU  42          HD12      LEU  42   9.466  -6.878   2.134
  306   3HD1  LEU  42          HD13      LEU  42   9.802  -5.193   1.749
  307   1HD2  LEU  42          HD21      LEU  42  10.093  -8.076  -0.650
  308   2HD2  LEU  42          HD22      LEU  42  11.823  -8.343  -0.320
  309   3HD2  LEU  42          HD23      LEU  42  10.614  -8.707   0.925
  310    H    ASP  43           H        ASP  43  10.182  -3.089  -1.571
  311    HA   ASP  43           HA       ASP  43   7.462  -3.240  -0.911
  312   1HB   ASP  43          HB2       ASP  43   8.931  -1.163  -0.852
  313   2HB   ASP  43          HB3       ASP  43   8.756  -1.067  -2.614
  314    H    GLN  44           H        GLN  44   9.028  -3.014  -4.103
  315    HA   GLN  44           HA       GLN  44   6.570  -2.879  -5.564
  316   1HB   GLN  44          HB2       GLN  44   9.407  -3.575  -6.378
  317   2HB   GLN  44          HB3       GLN  44   8.086  -3.395  -7.536
  318   1HG   GLN  44          HG2       GLN  44   7.774  -1.078  -7.021
  319   2HG   GLN  44          HG3       GLN  44   8.780  -1.163  -5.572
  320   1HE2  GLN  44          HE22      GLN  44  11.038  -1.364  -5.785
  321   2HE2  GLN  44          HE21      GLN  44  11.929  -1.265  -7.301
  322    H    GLU  45           H        GLU  45   8.034  -5.566  -3.999
  323    HA   GLU  45           HA       GLU  45   6.735  -7.574  -5.750
  324   1HB   GLU  45          HB2       GLU  45   8.883  -7.659  -3.606
  325   2HB   GLU  45          HB3       GLU  45   8.108  -9.125  -4.208
  326   1HG   GLU  45          HG2       GLU  45   9.521  -7.109  -5.997
  327   2HG   GLU  45          HG3       GLU  45  10.311  -8.522  -5.298
  328    H    MET  46           H        MET  46   6.700  -6.245  -2.454
  329    HA   MET  46           HA       MET  46   4.560  -8.195  -1.738
  330   1HB   MET  46          HB2       MET  46   6.496  -6.729   0.080
  331   2HB   MET  46          HB3       MET  46   5.372  -8.007   0.530
  332   1HG   MET  46          HG2       MET  46   7.821  -8.246  -1.277
  333   2HG   MET  46          HG3       MET  46   7.643  -8.921   0.330
  334   1HE   MET  46          HE1       MET  46   5.437 -12.023  -0.156
  335   2HE   MET  46          HE2       MET  46   6.665 -11.217   0.847
  336   3HE   MET  46          HE3       MET  46   5.070 -10.443   0.579
  337    H    GLY  47           H        GLY  47   4.879  -4.878  -2.431
  338   1HA   GLY  47          HA2       GLY  47   3.530  -3.609  -0.380
  339   2HA   GLY  47          HA3       GLY  47   3.573  -3.075  -2.063
  340    H    ASP  48           H        ASP  48   2.030  -5.923  -2.368
  341    HA   ASP  48           HA       ASP  48  -0.644  -4.766  -2.333
  342   1HB   ASP  48          HB2       ASP  48   0.053  -6.364  -4.101
  343   2HB   ASP  48          HB3       ASP  48   0.238  -7.624  -2.872
  344    H    LYS  49           H        LYS  49   1.404  -6.693  -0.252
  345    HA   LYS  49           HA       LYS  49  -0.846  -7.269   1.637
  346   1HB   LYS  49          HB2       LYS  49   1.815  -8.745   1.405
  347   2HB   LYS  49          HB3       LYS  49   0.419  -9.196   2.373
  348   1HG   LYS  49          HG2       LYS  49   0.685  -9.329  -0.651
  349   2HG   LYS  49          HG3       LYS  49   0.627 -10.672   0.490
  350   1HD   LYS  49          HD2       LYS  49  -1.737 -10.016   1.085
  351   2HD   LYS  49          HD3       LYS  49  -1.644  -8.754  -0.161
  352   1HE   LYS  49          HE2       LYS  49  -0.867 -10.752  -1.714
  353   2HE   LYS  49          HE3       LYS  49  -1.639 -11.767  -0.487
  354   1HZ   LYS  49          HZ1       LYS  49  -3.683 -10.432  -0.886
  355   2HZ   LYS  49          HZ2       LYS  49  -2.883  -9.598  -2.069
  356   3HZ   LYS  49          HZ3       LYS  49  -3.183 -11.201  -2.240
  357    H    LEU  50           H        LEU  50   2.336  -5.825   1.209
  358    HA   LEU  50           HA       LEU  50   2.717  -5.590   4.131
  359   1HB   LEU  50          HB2       LEU  50   4.315  -6.893   2.697
  360   2HB   LEU  50          HB3       LEU  50   4.617  -5.431   1.756
  361    HG   LEU  50           HG       LEU  50   5.589  -4.340   3.781
  362   1HD1  LEU  50          HD11      LEU  50   5.283  -7.114   5.021
  363   2HD1  LEU  50          HD12      LEU  50   6.154  -5.738   5.728
  364   3HD1  LEU  50          HD13      LEU  50   4.414  -5.657   5.538
  365   1HD2  LEU  50          HD21      LEU  50   7.666  -5.698   3.781
  366   2HD2  LEU  50          HD22      LEU  50   6.795  -6.945   2.848
  367   3HD2  LEU  50          HD23      LEU  50   7.035  -5.325   2.170
  368    H    LYS  51           H        LYS  51   3.567  -3.694   5.029
  369    HA   LYS  51           HA       LYS  51   3.672  -1.217   3.377
  370   1HB   LYS  51          HB2       LYS  51   1.747  -1.161   5.036
  371   2HB   LYS  51          HB3       LYS  51   2.897  -1.493   6.323
  372   1HG   LYS  51          HG2       LYS  51   4.128   0.646   5.668
  373   2HG   LYS  51          HG3       LYS  51   2.803   0.997   4.562
  374   1HD   LYS  51          HD2       LYS  51   2.563   0.599   7.583
  375   2HD   LYS  51          HD3       LYS  51   2.668   2.163   6.768
  376   1HE   LYS  51          HE2       LYS  51   0.566   1.691   5.543
  377   2HE   LYS  51          HE3       LYS  51   0.437   0.117   6.355
  378   1HZ   LYS  51          HZ1       LYS  51   0.302   1.287   8.463
  379   2HZ   LYS  51          HZ2       LYS  51   0.442   2.751   7.715
  380   3HZ   LYS  51          HZ3       LYS  51  -0.892   1.822   7.457
  381    H    ILE  52           H        ILE  52   5.646  -0.076   3.761
  382    HA   ILE  52           HA       ILE  52   7.538  -1.393   5.642
  383    HB   ILE  52           HB       ILE  52   8.160   0.025   3.041
  384   1HG1  ILE  52          HG12      ILE  52   8.562  -2.874   3.904
  385   2HG1  ILE  52          HG13      ILE  52   7.355  -2.290   2.755
  386   1HG2  ILE  52          HG21      ILE  52  10.544  -0.428   3.510
  387   2HG2  ILE  52          HG22      ILE  52   9.867   0.586   4.768
  388   3HG2  ILE  52          HG23      ILE  52  10.115  -1.148   5.074
  389   1HD1  ILE  52          HD11      ILE  52  10.343  -2.466   2.354
  390   2HD1  ILE  52          HD12      ILE  52   9.025  -3.122   1.362
  391   3HD1  ILE  52          HD13      ILE  52   9.339  -1.384   1.364
  392    H    VAL  53           H        VAL  53   8.471   0.033   7.162
  393    HA   VAL  53           HA       VAL  53   7.520   2.880   7.032
  394    HB   VAL  53           HB       VAL  53   7.269   0.980   9.396
  395   1HG1  VAL  53          HG11      VAL  53   6.240   2.923  10.575
  396   2HG1  VAL  53          HG12      VAL  53   7.941   3.221  10.213
  397   3HG1  VAL  53          HG13      VAL  53   6.683   3.976   9.211
  398   1HG2  VAL  53          HG21      VAL  53   5.452   0.768   7.726
  399   2HG2  VAL  53          HG22      VAL  53   4.866   1.501   9.222
  400   3HG2  VAL  53          HG23      VAL  53   5.170   2.515   7.799
  401    H    LYS  54           H        LYS  54   9.432   3.883   6.601
  402    HA   LYS  54           HA       LYS  54  11.902   3.043   7.988
  403   1HB   LYS  54          HB2       LYS  54  11.332   5.420   6.163
  404   2HB   LYS  54          HB3       LYS  54  12.915   4.988   6.836
  405   1HG   LYS  54          HG2       LYS  54  12.804   2.782   5.681
  406   2HG   LYS  54          HG3       LYS  54  11.248   3.218   4.988
  407   1HD   LYS  54          HD2       LYS  54  12.985   3.528   3.328
  408   2HD   LYS  54          HD3       LYS  54  12.264   5.073   3.761
  409   1HE   LYS  54          HE2       LYS  54  14.602   5.434   3.572
  410   2HE   LYS  54          HE3       LYS  54  14.212   5.520   5.292
  411   1HZ   LYS  54          HZ1       LYS  54  15.057   3.174   5.463
  412   2HZ   LYS  54          HZ2       LYS  54  15.489   3.242   3.890
  413   3HZ   LYS  54          HZ3       LYS  54  16.197   4.238   4.977
  414    H    ILE  55           H        ILE  55  12.761   4.082   9.806
  415    HA   ILE  55           HA       ILE  55  11.427   6.520  10.789
  416    HB   ILE  55           HB       ILE  55  10.114   4.855  11.810
  417   1HG1  ILE  55          HG12      ILE  55  12.083   5.756  13.947
  418   2HG1  ILE  55          HG13      ILE  55  10.951   6.846  13.144
  419   1HG2  ILE  55          HG21      ILE  55  12.593   3.502  12.936
  420   2HG2  ILE  55          HG22      ILE  55  10.911   3.037  13.224
  421   3HG2  ILE  55          HG23      ILE  55  11.593   2.863  11.614
  422   1HD1  ILE  55          HD11      ILE  55  10.174   4.426  14.819
  423   2HD1  ILE  55          HD12      ILE  55  10.019   6.130  15.272
  424   3HD1  ILE  55          HD13      ILE  55   9.041   5.484  13.945
  425    H    ASP  56           H        ASP  56  12.828   7.950  11.435
  426    HA   ASP  56           HA       ASP  56  15.670   7.380  11.183
  427   1HB   ASP  56          HB2       ASP  56  14.762   9.356  10.142
  428   2HB   ASP  56          HB3       ASP  56  14.142   9.942  11.688
  429    H    VAL  57           H        VAL  57  16.619   6.442  12.962
  430    HA   VAL  57           HA       VAL  57  15.525   6.580  15.571
  431    HB   VAL  57           HB       VAL  57  17.548   5.482  16.333
  432   1HG1  VAL  57          HG11      VAL  57  15.763   4.233  15.125
  433   2HG1  VAL  57          HG12      VAL  57  16.709   4.350  13.631
  434   3HG1  VAL  57          HG13      VAL  57  17.359   3.465  15.028
  435   1HG2  VAL  57          HG21      VAL  57  19.411   4.915  14.837
  436   2HG2  VAL  57          HG22      VAL  57  18.713   5.911  13.547
  437   3HG2  VAL  57          HG23      VAL  57  19.295   6.664  15.044
  438    H    ASP  58           H        ASP  58  17.613   8.900  13.929
  439    HA   ASP  58           HA       ASP  58  18.887   9.939  16.290
  440   1HB   ASP  58          HB2       ASP  58  19.730  10.289  13.982
  441   2HB   ASP  58          HB3       ASP  58  18.328  11.312  13.639
  442    H    GLU  59           H        GLU  59  15.668  10.253  15.060
  443    HA   GLU  59           HA       GLU  59  15.080  12.461  16.997
  444   1HB   GLU  59          HB2       GLU  59  13.717  11.748  14.370
  445   2HB   GLU  59          HB3       GLU  59  13.157  12.980  15.512
  446   1HG   GLU  59          HG2       GLU  59  15.410  14.128  15.248
  447   2HG   GLU  59          HG3       GLU  59  15.735  13.034  13.900
  448    H    ASN  60           H        ASN  60  14.983   9.208  16.815
  449    HA   ASN  60           HA       ASN  60  12.364   8.929  18.204
  450   1HB   ASN  60          HB2       ASN  60  13.205   7.318  15.762
  451   2HB   ASN  60          HB3       ASN  60  11.850   6.933  16.814
  452   1HD2  ASN  60          HD22      ASN  60  12.898   8.964  14.202
  453   2HD2  ASN  60          HD21      ASN  60  11.383   9.823  13.994
  454    H    GLN  61           H        GLN  61  14.889   9.057  19.343
  455    HA   GLN  61           HA       GLN  61  16.165   6.602  19.854
  456   1HB   GLN  61          HB2       GLN  61  15.759   9.065  21.596
  457   2HB   GLN  61          HB3       GLN  61  16.802   7.720  22.055
  458   1HG   GLN  61          HG2       GLN  61  17.165   9.333  19.494
  459   2HG   GLN  61          HG3       GLN  61  18.002   9.668  21.006
  460   1HE2  GLN  61          HE22      GLN  61  17.942   7.668  18.166
  461   2HE2  GLN  61          HE21      GLN  61  19.330   6.664  18.575
  462    H    GLU  62           H        GLU  62  13.129   7.937  21.197
  463    HA   GLU  62           HA       GLU  62  12.872   6.068  23.321
  464   1HB   GLU  62          HB2       GLU  62  10.745   7.568  21.720
  465   2HB   GLU  62          HB3       GLU  62  10.436   6.688  23.217
  466   1HG   GLU  62          HG2       GLU  62  12.270   9.109  22.924
  467   2HG   GLU  62          HG3       GLU  62  10.641   9.121  23.580
  468    H    THR  63           H        THR  63  11.576   5.970  19.918
  469    HA   THR  63           HA       THR  63  10.295   3.471  20.257
  470    HB   THR  63           HB       THR  63  11.338   4.361  17.622
  471    HG1  THR  63           HG1      THR  63   9.280   5.708  19.043
  472   1HG2  THR  63          HG21      THR  63   9.076   3.817  16.824
  473   2HG2  THR  63          HG22      THR  63   9.773   2.454  17.704
  474   3HG2  THR  63          HG23      THR  63   8.556   3.475  18.489
  475    H    ALA  64           H        ALA  64  13.549   4.370  19.049
  476    HA   ALA  64           HA       ALA  64  14.461   1.749  18.434
  477   1HB   ALA  64          HB1       ALA  64  16.740   2.785  18.736
  478   2HB   ALA  64          HB2       ALA  64  15.664   3.800  17.756
  479   3HB   ALA  64          HB3       ALA  64  15.980   4.207  19.457
  480    H    GLY  65           H        GLY  65  14.652   3.597  21.533
  481   1HA   GLY  65          HA2       GLY  65  15.944   1.580  23.053
  482   2HA   GLY  65          HA3       GLY  65  14.929   2.895  23.679
  483    H    LYS  66           H        LYS  66  12.563   2.020  22.125
  484    HA   LYS  66           HA       LYS  66  11.191   0.469  23.979
  485   1HB   LYS  66          HB2       LYS  66  10.522   1.952  21.845
  486   2HB   LYS  66          HB3       LYS  66  10.320   0.359  21.135
  487   1HG   LYS  66          HG2       LYS  66   8.798  -0.294  22.960
  488   2HG   LYS  66          HG3       LYS  66   9.113   1.218  23.828
  489   1HD   LYS  66          HD2       LYS  66   7.854   1.038  21.090
  490   2HD   LYS  66          HD3       LYS  66   6.953   1.167  22.616
  491   1HE   LYS  66          HE2       LYS  66   7.957   3.364  23.083
  492   2HE   LYS  66          HE3       LYS  66   8.977   3.238  21.656
  493   1HZ   LYS  66          HZ1       LYS  66   6.071   3.655  21.722
  494   2HZ   LYS  66          HZ2       LYS  66   7.236   4.577  21.004
  495   3HZ   LYS  66          HZ3       LYS  66   6.821   3.139  20.361
  496    H    TYR  67           H        TYR  67  13.120  -0.605  21.189
  497    HA   TYR  67           HA       TYR  67  12.599  -3.439  22.012
  498   1HB   TYR  67          HB2       TYR  67  13.493  -2.736  19.250
  499   2HB   TYR  67          HB3       TYR  67  12.557  -4.116  19.802
  500    HD1  TYR  67           HD1      TYR  67  12.486  -0.913  18.236
  501    HD2  TYR  67           HD2      TYR  67  10.091  -3.533  20.690
  502    HE1  TYR  67           HE1      TYR  67  10.521   0.412  17.705
  503    HE2  TYR  67           HE2      TYR  67   8.066  -2.230  20.105
  504    HH   TYR  67           HH       TYR  67   7.220  -0.391  18.947
  505    H    GLY  68           H        GLY  68  14.901  -1.232  22.524
  506   1HA   GLY  68          HA2       GLY  68  17.150  -1.296  22.902
  507   2HA   GLY  68          HA3       GLY  68  17.045  -3.064  22.882
  508    H    VAL  69           H        VAL  69  16.339  -0.706  20.255
  509    HA   VAL  69           HA       VAL  69  17.919  -2.119  18.280
  510    HB   VAL  69           HB       VAL  69  16.598   0.621  18.276
  511   1HG1  VAL  69          HG11      VAL  69  17.851  -0.950  16.005
  512   2HG1  VAL  69          HG12      VAL  69  16.763   0.439  15.779
  513   3HG1  VAL  69          HG13      VAL  69  18.320   0.657  16.576
  514   1HG2  VAL  69          HG21      VAL  69  14.944  -1.149  18.487
  515   2HG2  VAL  69          HG22      VAL  69  14.881  -0.514  16.847
  516   3HG2  VAL  69          HG23      VAL  69  15.689  -2.064  17.160
  517    H    MET  70           H        MET  70  19.937  -2.331  19.172
  518    HA   MET  70           HA       MET  70  21.477  -0.226  20.297
  519   1HB   MET  70          HB2       MET  70  23.318  -1.871  20.181
  520   2HB   MET  70          HB3       MET  70  21.839  -2.526  20.896
  521   1HG   MET  70          HG2       MET  70  21.323  -3.677  18.759
  522   2HG   MET  70          HG3       MET  70  22.804  -3.023  18.054
  523   1HE   MET  70          HE1       MET  70  22.019  -6.078  17.959
  524   2HE   MET  70          HE2       MET  70  23.512  -5.409  17.260
  525   3HE   MET  70          HE3       MET  70  23.587  -6.829  18.326
  526    H    SER  71           H        SER  71  21.090  -1.279  16.989
  527    HA   SER  71           HA       SER  71  23.065   0.630  15.969
  528   1HB   SER  71          HB2       SER  71  23.025  -2.348  15.278
  529   2HB   SER  71          HB3       SER  71  24.104  -1.130  14.578
  530    HG   SER  71           HG       SER  71  25.136  -2.302  16.224
  531    H    ILE  72           H        ILE  72  22.942   0.445  13.404
  532    HA   ILE  72           HA       ILE  72  20.282  -0.276  12.440
  533    HB   ILE  72           HB       ILE  72  20.095   1.848  11.184
  534   1HG1  ILE  72          HG12      ILE  72  22.233   2.966  13.046
  535   2HG1  ILE  72          HG13      ILE  72  22.508   2.550  11.353
  536   1HG2  ILE  72          HG21      ILE  72  18.868   1.380  13.336
  537   2HG2  ILE  72          HG22      ILE  72  20.095   2.337  14.186
  538   3HG2  ILE  72          HG23      ILE  72  19.057   3.091  12.959
  539   1HD1  ILE  72          HD11      ILE  72  22.133   4.930  11.541
  540   2HD1  ILE  72          HD12      ILE  72  20.792   4.183  10.656
  541   3HD1  ILE  72          HD13      ILE  72  20.578   4.681  12.350
  542    HA   PRO  73           HA       PRO  73  19.394   0.174  10.018
  543   1HB   PRO  73          HB2       PRO  73  18.922  -1.750   8.141
  544   2HB   PRO  73          HB3       PRO  73  19.630  -0.158   7.747
  545   1HG   PRO  73          HG2       PRO  73  21.067  -2.788   8.190
  546   2HG   PRO  73          HG3       PRO  73  21.321  -1.603   6.874
  547   1HD   PRO  73          HD2       PRO  73  22.914  -1.682   9.096
  548   2HD   PRO  73          HD3       PRO  73  22.498  -0.137   8.301
  549    H    THR  74           H        THR  74  17.764  -0.801  11.154
  550    HA   THR  74           HA       THR  74  18.052  -3.676  11.886
  551    HB   THR  74           HB       THR  74  17.528  -1.353  13.767
  552    HG1  THR  74           HG1      THR  74  19.498  -1.754  14.294
  553   1HG2  THR  74          HG21      THR  74  15.932  -3.020  14.428
  554   2HG2  THR  74          HG22      THR  74  17.090  -4.341  14.201
  555   3HG2  THR  74          HG23      THR  74  17.304  -3.186  15.530
  556    H    LEU  75           H        LEU  75  16.176  -4.789  11.785
  557    HA   LEU  75           HA       LEU  75  13.930  -3.339  10.485
  558   1HB   LEU  75          HB2       LEU  75  15.299  -5.972   9.904
  559   2HB   LEU  75          HB3       LEU  75  13.600  -5.747   9.512
  560    HG   LEU  75           HG       LEU  75  14.086  -3.875   8.039
  561   1HD1  LEU  75          HD11      LEU  75  16.028  -2.808   8.940
  562   2HD1  LEU  75          HD12      LEU  75  17.013  -4.288   8.762
  563   3HD1  LEU  75          HD13      LEU  75  16.445  -3.386   7.336
  564   1HD2  LEU  75          HD21      LEU  75  14.155  -6.245   7.215
  565   2HD2  LEU  75          HD22      LEU  75  15.159  -5.142   6.262
  566   3HD2  LEU  75          HD23      LEU  75  15.914  -6.243   7.439
  567    H    LEU  76           H        LEU  76  12.013  -3.542  11.515
  568    HA   LEU  76           HA       LEU  76  11.710  -5.654  13.642
  569   1HB   LEU  76          HB2       LEU  76  10.823  -2.745  13.576
  570   2HB   LEU  76          HB3       LEU  76   9.931  -3.936  14.492
  571    HG   LEU  76           HG       LEU  76  11.497  -2.537  15.849
  572   1HD1  LEU  76          HD11      LEU  76  11.976  -5.553  15.849
  573   2HD1  LEU  76          HD12      LEU  76  12.390  -4.442  17.173
  574   3HD1  LEU  76          HD13      LEU  76  10.702  -4.663  16.701
  575   1HD2  LEU  76          HD21      LEU  76  13.366  -2.504  14.153
  576   2HD2  LEU  76          HD22      LEU  76  13.847  -2.868  15.821
  577   3HD2  LEU  76          HD23      LEU  76  13.739  -4.171  14.623
  578    H    VAL  77           H        VAL  77  10.094  -7.037  13.068
  579    HA   VAL  77           HA       VAL  77   8.251  -6.175  10.875
  580    HB   VAL  77           HB       VAL  77   8.404  -8.980  11.988
  581   1HG1  VAL  77          HG11      VAL  77   7.404  -7.814   9.350
  582   2HG1  VAL  77          HG12      VAL  77   7.339  -9.524   9.822
  583   3HG1  VAL  77          HG13      VAL  77   6.390  -8.328  10.713
  584   1HG2  VAL  77          HG21      VAL  77  10.661  -8.581  11.096
  585   2HG2  VAL  77          HG22      VAL  77   9.738  -9.632  10.019
  586   3HG2  VAL  77          HG23      VAL  77   9.972  -7.919   9.595
  587    H    LEU  78           H        LEU  78   6.299  -5.558  11.591
  588    HA   LEU  78           HA       LEU  78   5.452  -6.367  14.317
  589   1HB   LEU  78          HB2       LEU  78   4.858  -3.737  12.880
  590   2HB   LEU  78          HB3       LEU  78   4.077  -4.303  14.349
  591    HG   LEU  78           HG       LEU  78   6.632  -4.500  15.191
  592   1HD1  LEU  78          HD11      LEU  78   7.948  -2.553  14.462
  593   2HD1  LEU  78          HD12      LEU  78   7.684  -3.691  13.139
  594   3HD1  LEU  78          HD13      LEU  78   6.742  -2.200  13.211
  595   1HD2  LEU  78          HD21      LEU  78   6.379  -2.402  16.353
  596   2HD2  LEU  78          HD22      LEU  78   5.126  -1.870  15.218
  597   3HD2  LEU  78          HD23      LEU  78   4.824  -3.236  16.307
  598    H    LYS  79           H        LYS  79   3.220  -6.881  14.461
  599    HA   LYS  79           HA       LYS  79   1.731  -7.036  11.915
  600   1HB   LYS  79          HB2       LYS  79   2.770  -9.232  12.140
  601   2HB   LYS  79          HB3       LYS  79   2.116  -9.416  13.784
  602   1HG   LYS  79          HG2       LYS  79  -0.166  -9.382  12.893
  603   2HG   LYS  79          HG3       LYS  79   0.450  -9.029  11.262
  604   1HD   LYS  79          HD2       LYS  79   1.597 -11.228  11.231
  605   2HD   LYS  79          HD3       LYS  79   0.945 -11.589  12.845
  606   1HE   LYS  79          HE2       LYS  79  -1.352 -11.443  11.992
  607   2HE   LYS  79          HE3       LYS  79  -0.769 -10.913  10.409
  608   1HZ   LYS  79          HZ1       LYS  79  -0.233 -13.576  11.585
  609   2HZ   LYS  79          HZ2       LYS  79  -1.320 -13.258  10.413
  610   3HZ   LYS  79          HZ3       LYS  79   0.273 -13.056  10.106
  611    H    ASP  80           H        ASP  80  -0.145  -6.093  12.250
  612    HA   ASP  80           HA       ASP  80  -1.917  -5.127  13.224
  613   1HB   ASP  80          HB2       ASP  80  -2.564  -7.494  13.323
  614   2HB   ASP  80          HB3       ASP  80  -1.896  -7.624  14.948
  615    H    GLY  81           H        GLY  81   0.624  -4.233  14.220
  616   1HA   GLY  81          HA2       GLY  81   0.902  -2.345  15.507
  617   2HA   GLY  81          HA3       GLY  81  -0.404  -2.832  16.582
  618    H    GLU  82           H        GLU  82   1.628  -5.565  16.397
  619    HA   GLU  82           HA       GLU  82   3.401  -4.566  18.573
  620   1HB   GLU  82          HB2       GLU  82   2.993  -6.511  19.825
  621   2HB   GLU  82          HB3       GLU  82   1.414  -5.888  19.324
  622   1HG   GLU  82          HG2       GLU  82   1.274  -7.617  17.565
  623   2HG   GLU  82          HG3       GLU  82   2.848  -8.257  18.038
  624    H    VAL  83           H        VAL  83   5.492  -5.614  18.699
  625    HA   VAL  83           HA       VAL  83   6.635  -6.334  16.154
  626    HB   VAL  83           HB       VAL  83   7.764  -6.743  18.945
  627   1HG1  VAL  83          HG11      VAL  83   8.957  -8.091  17.249
  628   2HG1  VAL  83          HG12      VAL  83   9.118  -6.673  16.193
  629   3HG1  VAL  83          HG13      VAL  83   9.959  -6.740  17.758
  630   1HG2  VAL  83          HG21      VAL  83   9.014  -4.658  18.513
  631   2HG2  VAL  83          HG22      VAL  83   8.143  -4.424  16.991
  632   3HG2  VAL  83          HG23      VAL  83   7.280  -4.345  18.544
  633    H    VAL  84           H        VAL  84   6.777  -8.150  15.185
  634    HA   VAL  84           HA       VAL  84   6.019 -10.650  16.580
  635    HB   VAL  84           HB       VAL  84   4.391  -9.571  14.929
  636   1HG1  VAL  84          HG11      VAL  84   5.802  -8.927  13.110
  637   2HG1  VAL  84          HG12      VAL  84   6.401 -10.583  12.889
  638   3HG1  VAL  84          HG13      VAL  84   4.716 -10.190  12.533
  639   1HG2  VAL  84          HG21      VAL  84   4.072 -11.782  15.765
  640   2HG2  VAL  84          HG22      VAL  84   3.646 -11.715  14.051
  641   3HG2  VAL  84          HG23      VAL  84   5.189 -12.459  14.561
  642    H    GLU  85           H        GLU  85   8.506  -8.966  14.639
  643    HA   GLU  85           HA       GLU  85  10.317 -11.110  15.381
  644   1HB   GLU  85          HB2       GLU  85   9.349 -12.079  13.358
  645   2HB   GLU  85          HB3       GLU  85   9.728 -10.640  12.426
  646   1HG   GLU  85          HG2       GLU  85  11.194 -12.446  11.873
  647   2HG   GLU  85          HG3       GLU  85  12.130 -11.161  12.607
  648    H    THR  86           H        THR  86  12.634 -10.534  14.719
  649    HA   THR  86           HA       THR  86  13.052  -7.662  14.101
  650    HB   THR  86           HB       THR  86  14.498  -9.140  16.332
  651    HG1  THR  86           HG1      THR  86  12.332  -8.820  16.902
  652   1HG2  THR  86          HG21      THR  86  15.127  -6.819  17.058
  653   2HG2  THR  86          HG22      THR  86  15.807  -7.266  15.492
  654   3HG2  THR  86          HG23      THR  86  14.395  -6.191  15.565
  655    H    SER  87           H        SER  87  15.080  -7.300  13.004
  656    HA   SER  87           HA       SER  87  17.054  -9.443  12.756
  657   1HB   SER  87          HB2       SER  87  15.590  -8.263  10.348
  658   2HB   SER  87          HB3       SER  87  17.082  -9.218  10.247
  659    HG   SER  87           HG       SER  87  15.108 -10.377  11.762
  660    H    VAL  88           H        VAL  88  19.132  -8.513  11.925
  661    HA   VAL  88           HA       VAL  88  19.272  -5.539  12.042
  662    HB   VAL  88           HB       VAL  88  21.080  -7.488  13.515
  663   1HG1  VAL  88          HG11      VAL  88  21.034  -4.438  13.491
  664   2HG1  VAL  88          HG12      VAL  88  22.015  -5.432  14.587
  665   3HG1  VAL  88          HG13      VAL  88  22.320  -5.484  12.852
  666   1HG2  VAL  88          HG21      VAL  88  20.165  -6.512  15.605
  667   2HG2  VAL  88          HG22      VAL  88  18.989  -5.589  14.651
  668   3HG2  VAL  88          HG23      VAL  88  18.925  -7.366  14.693
  669    H    GLY  89           H        GLY  89  20.830  -4.661  10.652
  670   1HA   GLY  89          HA2       GLY  89  22.613  -4.586   9.206
  671   2HA   GLY  89          HA3       GLY  89  22.909  -6.308   9.449
  672    H    PHE  90           H        PHE  90  23.308  -5.670   6.999
  673    HA   PHE  90           HA       PHE  90  21.109  -5.419   5.211
  674   1HB   PHE  90          HB2       PHE  90  23.477  -4.897   4.640
  675   2HB   PHE  90          HB3       PHE  90  23.898  -6.598   4.795
  676    HD1  PHE  90           HD1      PHE  90  23.202  -8.249   3.072
  677    HD2  PHE  90           HD2      PHE  90  22.285  -4.052   2.671
  678    HE1  PHE  90           HE1      PHE  90  22.571  -8.612   0.700
  679    HE2  PHE  90           HE2      PHE  90  21.661  -4.422   0.293
  680    HZ   PHE  90           HZ       PHE  90  21.791  -6.701  -0.689
  681    H    LYS  91           H        LYS  91  20.117  -6.894   3.832
  682    HA   LYS  91           HA       LYS  91  20.314  -9.747   4.360
  683   1HB   LYS  91          HB2       LYS  91  18.392  -8.133   5.762
  684   2HB   LYS  91          HB3       LYS  91  17.504  -8.822   4.427
  685   1HG   LYS  91          HG2       LYS  91  17.287 -10.175   6.410
  686   2HG   LYS  91          HG3       LYS  91  18.077 -11.071   5.109
  687   1HD   LYS  91          HD2       LYS  91  19.105 -11.616   7.243
  688   2HD   LYS  91          HD3       LYS  91  20.264 -10.792   6.211
  689   1HE   LYS  91          HE2       LYS  91  19.456  -8.615   7.482
  690   2HE   LYS  91          HE3       LYS  91  18.809  -9.757   8.669
  691   1HZ   LYS  91          HZ1       LYS  91  21.611  -9.485   7.774
  692   2HZ   LYS  91          HZ2       LYS  91  21.029  -9.077   9.252
  693   3HZ   LYS  91          HZ3       LYS  91  21.111 -10.661   8.824
  694    HA   PRO  92           HA       PRO  92  19.461  -9.208  -0.012
  695   1HB   PRO  92          HB2       PRO  92  18.943 -11.807  -0.789
  696   2HB   PRO  92          HB3       PRO  92  20.587 -11.162  -0.468
  697   1HG   PRO  92          HG2       PRO  92  18.813 -12.775   1.363
  698   2HG   PRO  92          HG3       PRO  92  20.567 -12.965   1.073
  699   1HD   PRO  92          HD2       PRO  92  19.576 -11.639   3.256
  700   2HD   PRO  92          HD3       PRO  92  21.093 -11.135   2.455
  701    H    LYS  93           H        LYS  93  17.719  -9.354  -1.511
  702    HA   LYS  93           HA       LYS  93  15.213  -8.651  -0.538
  703   1HB   LYS  93          HB2       LYS  93  16.232  -8.241  -2.803
  704   2HB   LYS  93          HB3       LYS  93  15.916  -9.917  -3.233
  705   1HG   LYS  93          HG2       LYS  93  13.525  -9.589  -3.078
  706   2HG   LYS  93          HG3       LYS  93  13.737  -7.987  -2.337
  707   1HD   LYS  93          HD2       LYS  93  13.202  -7.606  -4.619
  708   2HD   LYS  93          HD3       LYS  93  14.934  -7.244  -4.392
  709   1HE   LYS  93          HE2       LYS  93  15.508  -9.470  -5.355
  710   2HE   LYS  93          HE3       LYS  93  13.791  -9.835  -5.554
  711   1HZ   LYS  93          HZ1       LYS  93  15.247  -7.657  -6.946
  712   2HZ   LYS  93          HZ2       LYS  93  14.776  -9.064  -7.611
  713   3HZ   LYS  93          HZ3       LYS  93  13.653  -7.990  -7.132
  714    H    GLU  94           H        GLU  94  16.232 -11.804  -1.786
  715    HA   GLU  94           HA       GLU  94  13.764 -13.147  -1.529
  716   1HB   GLU  94          HB2       GLU  94  15.739 -13.980  -2.770
  717   2HB   GLU  94          HB3       GLU  94  16.571 -14.304  -1.242
  718   1HG   GLU  94          HG2       GLU  94  14.831 -15.951  -0.628
  719   2HG   GLU  94          HG3       GLU  94  13.918 -15.557  -2.087
  720    H    ALA  95           H        ALA  95  16.392 -12.710   0.897
  721    HA   ALA  95           HA       ALA  95  15.122 -14.333   2.894
  722   1HB   ALA  95          HB1       ALA  95  17.526 -13.886   2.997
  723   2HB   ALA  95          HB2       ALA  95  17.207 -12.140   3.197
  724   3HB   ALA  95          HB3       ALA  95  16.724 -13.290   4.459
  725    H    LEU  96           H        LEU  96  15.021 -10.850   2.103
  726    HA   LEU  96           HA       LEU  96  13.379 -10.081   4.297
  727   1HB   LEU  96          HB2       LEU  96  13.525  -8.949   1.490
  728   2HB   LEU  96          HB3       LEU  96  12.646  -8.210   2.823
  729    HG   LEU  96           HG       LEU  96  15.663  -8.632   2.767
  730   1HD1  LEU  96          HD11      LEU  96  14.008  -6.098   2.458
  731   2HD1  LEU  96          HD12      LEU  96  15.785  -6.208   2.457
  732   3HD1  LEU  96          HD13      LEU  96  14.853  -6.943   1.146
  733   1HD2  LEU  96          HD21      LEU  96  13.875  -7.213   4.787
  734   2HD2  LEU  96          HD22      LEU  96  14.858  -8.670   5.074
  735   3HD2  LEU  96          HD23      LEU  96  15.648  -7.130   4.753
  736    H    GLN  97           H        GLN  97  12.507 -11.324   1.044
  737    HA   GLN  97           HA       GLN  97   9.696 -11.142   1.486
  738   1HB   GLN  97          HB2       GLN  97  11.421 -12.888  -0.317
  739   2HB   GLN  97          HB3       GLN  97   9.691 -13.212  -0.167
  740   1HG   GLN  97          HG2       GLN  97   9.107 -11.017  -0.907
  741   2HG   GLN  97          HG3       GLN  97  10.796 -10.489  -0.882
  742   1HE2  GLN  97          HE22      GLN  97  12.134 -10.916  -2.594
  743   2HE2  GLN  97          HE21      GLN  97  11.623 -11.738  -4.059
  744    H    GLU  98           H        GLU  98  12.055 -13.678   2.376
  745    HA   GLU  98           HA       GLU  98  10.036 -15.470   3.340
  746   1HB   GLU  98          HB2       GLU  98  12.998 -15.253   4.006
  747   2HB   GLU  98          HB3       GLU  98  11.937 -16.485   4.697
  748   1HG   GLU  98          HG2       GLU  98  11.335 -17.251   2.404
  749   2HG   GLU  98          HG3       GLU  98  12.486 -16.104   1.725
  750    H    LEU  99           H        LEU  99  11.901 -12.874   4.930
  751    HA   LEU  99           HA       LEU  99  10.994 -13.211   7.562
  752   1HB   LEU  99          HB2       LEU  99  12.938 -11.878   6.867
  753   2HB   LEU  99          HB3       LEU  99  11.901 -10.794   5.950
  754    HG   LEU  99           HG       LEU  99  10.787 -10.075   8.012
  755   1HD1  LEU  99          HD11      LEU  99  11.194 -11.977   9.490
  756   2HD1  LEU  99          HD12      LEU  99  12.954 -11.785   9.325
  757   3HD1  LEU  99          HD13      LEU  99  12.002 -10.565  10.192
  758   1HD2  LEU  99          HD21      LEU  99  13.807  -9.711   7.973
  759   2HD2  LEU  99          HD22      LEU  99  12.630  -8.794   7.010
  760   3HD2  LEU  99          HD23      LEU  99  12.632  -8.638   8.774
  761    H    VAL 100           H        VAL 100   9.539 -11.392   4.795
  762    HA   VAL 100           HA       VAL 100   7.261 -10.464   6.270
  763    HB   VAL 100           HB       VAL 100   7.730 -10.985   3.304
  764   1HG1  VAL 100          HG11      VAL 100   5.856  -9.383   2.899
  765   2HG1  VAL 100          HG12      VAL 100   5.337 -10.907   3.616
  766   3HG1  VAL 100          HG13      VAL 100   5.461  -9.459   4.634
  767   1HG2  VAL 100          HG21      VAL 100   9.190  -9.205   4.458
  768   2HG2  VAL 100          HG22      VAL 100   8.284  -8.741   3.032
  769   3HG2  VAL 100          HG23      VAL 100   7.703  -8.282   4.668
  770    H    ASN 101           H        ASN 101   7.853 -13.261   4.158
  771    HA   ASN 101           HA       ASN 101   5.251 -14.199   3.906
  772   1HB   ASN 101          HB2       ASN 101   7.236 -14.806   2.515
  773   2HB   ASN 101          HB3       ASN 101   7.806 -15.852   3.822
  774   1HD2  ASN 101          HD22      ASN 101   5.860 -15.611   1.032
  775   2HD2  ASN 101          HD21      ASN 101   5.032 -17.143   1.166
  776    H    LYS 102           H        LYS 102   7.661 -15.001   6.414
  777    HA   LYS 102           HA       LYS 102   6.171 -17.189   7.495
  778   1HB   LYS 102          HB2       LYS 102   7.663 -17.101   9.385
  779   2HB   LYS 102          HB3       LYS 102   8.563 -16.955   7.873
  780   1HG   LYS 102          HG2       LYS 102   8.826 -14.553   8.200
  781   2HG   LYS 102          HG3       LYS 102   7.802 -14.601   9.628
  782   1HD   LYS 102          HD2       LYS 102  10.488 -16.006   9.391
  783   2HD   LYS 102          HD3       LYS 102  10.238 -14.411  10.123
  784   1HE   LYS 102          HE2       LYS 102   8.687 -15.399  11.788
  785   2HE   LYS 102          HE3       LYS 102   8.948 -17.000  11.083
  786   1HZ   LYS 102          HZ1       LYS 102  10.338 -16.773  12.970
  787   2HZ   LYS 102          HZ2       LYS 102  11.331 -16.734  11.682
  788   3HZ   LYS 102          HZ3       LYS 102  10.974 -15.352  12.506
  789    H    HIS 103           H        HIS 103   5.334 -13.912   7.600
  790    HA   HIS 103           HA       HIS 103   3.574 -14.385   9.974
  791   1HB   HIS 103          HB2       HIS 103   4.777 -11.770   8.993
  792   2HB   HIS 103          HB3       HIS 103   3.656 -11.946  10.342
  793    HD1  HIS 103           HD1      HIS 103   4.716 -13.805  12.343
  794    HD2  HIS 103           HD2      HIS 103   7.276 -11.835   9.652
  795    HE1  HIS 103           HE1      HIS 103   7.052 -13.929  13.351
  796    H    LEU 104           H        LEU 104   3.548 -13.942   6.577
  797    HA   LEU 104           HA       LEU 104   1.117 -12.450   6.301
  798   1HB   LEU 104          HB2       LEU 104   2.424 -14.555   4.533
  799   2HB   LEU 104          HB3       LEU 104   0.966 -13.675   4.090
  800    HG   LEU 104           HG       LEU 104   3.724 -12.478   4.525
  801   1HD1  LEU 104          HD11      LEU 104   2.003 -12.724   2.024
  802   2HD1  LEU 104          HD12      LEU 104   3.620 -11.997   2.122
  803   3HD1  LEU 104          HD13      LEU 104   3.412 -13.732   2.407
  804   1HD2  LEU 104          HD21      LEU 104   2.706 -10.345   3.669
  805   2HD2  LEU 104          HD22      LEU 104   1.099 -11.085   3.857
  806   3HD2  LEU 104          HD23      LEU 104   2.140 -10.802   5.272
  Start of MODEL   15
    1   1H    MET   1          H1        MET   1  -0.114  -1.565  -0.672
    2   2H    MET   1          H2        MET   1  -1.388  -0.865   0.109
    3   3H    MET   1          H3        MET   1  -0.609  -0.066  -1.098
    4    HA   MET   1           HA       MET   1   0.041   0.819   1.033
    5   1HB   MET   1          HB2       MET   1   0.901  -2.059   1.505
    6   2HB   MET   1          HB3       MET   1   1.569  -0.710   2.423
    7   1HG   MET   1          HG2       MET   1  -1.361  -1.497   2.306
    8   2HG   MET   1          HG3       MET   1  -0.237  -1.810   3.624
    9   1HE   MET   1          HE1       MET   1  -3.079  -0.467   4.044
   10   2HE   MET   1          HE2       MET   1  -1.915  -0.825   5.340
   11   3HE   MET   1          HE3       MET   1  -2.649   0.791   5.224
   12    H    ALA   2           H        ALA   2   2.507   1.195   1.607
   13    HA   ALA   2           HA       ALA   2   4.305   0.848  -0.672
   14   1HB   ALA   2          HB1       ALA   2   3.276   3.598   0.167
   15   2HB   ALA   2          HB2       ALA   2   4.526   3.271  -1.052
   16   3HB   ALA   2          HB3       ALA   2   2.859   2.769  -1.351
   17    H    ILE   3           H        ILE   3   6.311   2.511  -0.032
   18    HA   ILE   3           HA       ILE   3   7.090   1.958   2.734
   19    HB   ILE   3           HB       ILE   3   8.339   3.618   0.517
   20   1HG1  ILE   3          HG12      ILE   3   9.713   1.152   1.534
   21   2HG1  ILE   3          HG13      ILE   3   8.220   0.841   0.665
   22   1HG2  ILE   3          HG21      ILE   3  10.434   3.554   1.896
   23   2HG2  ILE   3          HG22      ILE   3   9.151   4.519   2.628
   24   3HG2  ILE   3          HG23      ILE   3   9.490   2.888   3.247
   25   1HD1  ILE   3          HD11      ILE   3  10.166   0.828  -0.816
   26   2HD1  ILE   3          HD12      ILE   3   8.985   2.088  -1.263
   27   3HD1  ILE   3          HD13      ILE   3  10.503   2.524  -0.422
   28    H    VAL   4           H        VAL   4   7.088   3.484   4.376
   29    HA   VAL   4           HA       VAL   4   5.810   6.134   3.961
   30    HB   VAL   4           HB       VAL   4   5.085   4.056   6.072
   31   1HG1  VAL   4          HG11      VAL   4   3.092   5.536   6.497
   32   2HG1  VAL   4          HG12      VAL   4   4.618   6.204   7.010
   33   3HG1  VAL   4          HG13      VAL   4   3.864   6.779   5.493
   34   1HG2  VAL   4          HG21      VAL   4   2.849   3.934   4.912
   35   2HG2  VAL   4          HG22      VAL   4   3.539   4.880   3.579
   36   3HG2  VAL   4          HG23      VAL   4   4.170   3.264   3.972
   37    H    LYS   5           H        LYS   5   6.128   7.455   6.002
   38    HA   LYS   5           HA       LYS   5   8.750   6.932   7.332
   39   1HB   LYS   5          HB2       LYS   5   8.710   8.883   5.671
   40   2HB   LYS   5          HB3       LYS   5   7.454   9.607   6.662
   41   1HG   LYS   5          HG2       LYS   5   9.506  10.687   7.194
   42   2HG   LYS   5          HG3       LYS   5   9.015   9.747   8.587
   43   1HD   LYS   5          HD2       LYS   5  11.442   9.601   8.206
   44   2HD   LYS   5          HD3       LYS   5  10.681   8.026   8.078
   45   1HE   LYS   5          HE2       LYS   5  12.327   8.237   6.323
   46   2HE   LYS   5          HE3       LYS   5  10.716   8.174   5.608
   47   1HZ   LYS   5          HZ1       LYS   5  10.821  10.587   5.308
   48   2HZ   LYS   5          HZ2       LYS   5  12.283  10.670   6.028
   49   3HZ   LYS   5          HZ3       LYS   5  12.115   9.905   4.601
   50    H    ALA   6           H        ALA   6   8.671   7.373   9.615
   51    HA   ALA   6           HA       ALA   6   6.126   8.292  10.796
   52   1HB   ALA   6          HB1       ALA   6   5.947   6.282  12.241
   53   2HB   ALA   6          HB2       ALA   6   5.795   5.849  10.532
   54   3HB   ALA   6          HB3       ALA   6   7.325   5.550  11.394
   55    H    THR   7           H        THR   7   6.289   8.388  13.174
   56    HA   THR   7           HA       THR   7   8.949   8.487  14.364
   57    HB   THR   7           HB       THR   7   8.191  10.571  15.635
   58    HG1  THR   7           HG1      THR   7   6.424  10.764  13.421
   59   1HG2  THR   7          HG21      THR   7   8.907  12.198  13.921
   60   2HG2  THR   7          HG22      THR   7   9.964  10.784  13.988
   61   3HG2  THR   7          HG23      THR   7   8.784  10.941  12.668
   62    H    ASP   8           H        ASP   8   8.563   8.568  16.848
   63    HA   ASP   8           HA       ASP   8   6.901   6.582  17.794
   64   1HB   ASP   8          HB2       ASP   8   8.683   7.722  19.121
   65   2HB   ASP   8          HB3       ASP   8   7.648   9.136  19.258
   66    H    GLN   9           H        GLN   9   5.973   9.864  17.036
   67    HA   GLN   9           HA       GLN   9   3.571  10.189  18.440
   68   1HB   GLN   9          HB2       GLN   9   4.270  11.176  15.643
   69   2HB   GLN   9          HB3       GLN   9   3.042  11.858  16.706
   70   1HG   GLN   9          HG2       GLN   9   4.777  12.552  18.320
   71   2HG   GLN   9          HG3       GLN   9   6.039  11.845  17.303
   72   1HE2  GLN   9          HE22      GLN   9   6.118  12.665  14.961
   73   2HE2  GLN   9          HE21      GLN   9   5.854  14.386  14.735
   74    H    SER  10           H        SER  10   4.207   8.344  15.482
   75    HA   SER  10           HA       SER  10   1.328   7.565  15.306
   76   1HB   SER  10          HB2       SER  10   3.022   8.506  12.960
   77   2HB   SER  10          HB3       SER  10   1.305   8.075  12.937
   78    HG   SER  10           HG       SER  10   1.633  10.340  13.008
   79    H    PHE  11           H        PHE  11   4.542   6.455  15.355
   80    HA   PHE  11           HA       PHE  11   4.690   4.526  13.390
   81   1HB   PHE  11          HB2       PHE  11   6.513   5.196  14.908
   82   2HB   PHE  11          HB3       PHE  11   5.707   4.419  16.263
   83    HD1  PHE  11           HD1      PHE  11   5.836   1.990  16.560
   84    HD2  PHE  11           HD2      PHE  11   7.502   3.883  13.059
   85    HE1  PHE  11           HE1      PHE  11   7.065  -0.095  16.005
   86    HE2  PHE  11           HE2      PHE  11   8.737   1.818  12.524
   87    HZ   PHE  11           HZ       PHE  11   8.524  -0.188  14.003
   88    H    SER  12           H        SER  12   3.055   4.201  16.584
   89    HA   SER  12           HA       SER  12   2.436   1.457  16.396
   90   1HB   SER  12          HB2       SER  12   0.561   2.245  18.037
   91   2HB   SER  12          HB3       SER  12   2.258   2.422  18.513
   92    HG   SER  12           HG       SER  12   1.040   4.330  18.894
   93    H    ALA  13           H        ALA  13   0.609   4.336  15.342
   94    HA   ALA  13           HA       ALA  13  -1.671   2.883  14.432
   95   1HB   ALA  13          HB1       ALA  13  -2.256   4.955  13.233
   96   2HB   ALA  13          HB2       ALA  13  -1.735   5.318  14.890
   97   3HB   ALA  13          HB3       ALA  13  -0.633   5.607  13.521
   98    H    GLU  14           H        GLU  14   1.308   3.992  12.807
   99    HA   GLU  14           HA       GLU  14   0.535   3.117  10.217
  100   1HB   GLU  14          HB2       GLU  14   3.288   3.585  11.441
  101   2HB   GLU  14          HB3       GLU  14   3.069   3.103   9.766
  102   1HG   GLU  14          HG2       GLU  14   2.066   5.667  11.047
  103   2HG   GLU  14          HG3       GLU  14   3.380   5.495   9.882
  104    H    THR  15           H        THR  15   2.121   1.365  12.896
  105    HA   THR  15           HA       THR  15   2.584  -0.948  11.245
  106    HB   THR  15           HB       THR  15   3.475  -1.870  13.408
  107    HG1  THR  15           HG1      THR  15   3.279   0.803  14.287
  108   1HG2  THR  15          HG21      THR  15   5.009  -0.917  11.811
  109   2HG2  THR  15          HG22      THR  15   4.593   0.742  12.283
  110   3HG2  THR  15          HG23      THR  15   5.458  -0.310  13.410
  111    H    SER  16           H        SER  16  -0.270   0.110  12.375
  112    HA   SER  16           HA       SER  16  -1.196  -2.556  13.251
  113   1HB   SER  16          HB2       SER  16  -2.407   0.205  13.663
  114   2HB   SER  16          HB3       SER  16  -3.101  -1.321  14.244
  115    HG   SER  16           HG       SER  16  -0.700  -0.046  15.034
  116    H    GLU  17           H        GLU  17  -0.708  -1.936  10.449
  117    HA   GLU  17           HA       GLU  17  -3.465  -2.300   9.404
  118   1HB   GLU  17          HB2       GLU  17  -1.374  -0.438   8.225
  119   2HB   GLU  17          HB3       GLU  17  -2.946  -0.834   7.503
  120   1HG   GLU  17          HG2       GLU  17  -4.043   0.034   9.618
  121   2HG   GLU  17          HG3       GLU  17  -2.465   0.684  10.082
  122    H    GLY  18           H        GLY  18  -1.668  -4.371  10.003
  123   1HA   GLY  18          HA2       GLY  18  -1.953  -6.412   8.605
  124   2HA   GLY  18          HA3       GLY  18  -1.224  -5.518   7.264
  125    H    VAL  19           H        VAL  19   0.528  -7.017   7.095
  126    HA   VAL  19           HA       VAL  19   2.471  -7.178   9.312
  127    HB   VAL  19           HB       VAL  19   2.753  -7.985   6.376
  128   1HG1  VAL  19          HG11      VAL  19   4.717  -9.293   7.212
  129   2HG1  VAL  19          HG12      VAL  19   4.951  -7.556   7.427
  130   3HG1  VAL  19          HG13      VAL  19   4.503  -8.567   8.817
  131   1HG2  VAL  19          HG21      VAL  19   2.554 -10.313   7.228
  132   2HG2  VAL  19          HG22      VAL  19   2.167  -9.687   8.842
  133   3HG2  VAL  19          HG23      VAL  19   1.064  -9.400   7.472
  134    H    VAL  20           H        VAL  20   4.086  -5.669   9.534
  135    HA   VAL  20           HA       VAL  20   4.498  -3.662   7.402
  136    HB   VAL  20           HB       VAL  20   4.057  -3.040  10.355
  137   1HG1  VAL  20          HG11      VAL  20   5.616  -1.454   9.324
  138   2HG1  VAL  20          HG12      VAL  20   4.545  -1.255   7.926
  139   3HG1  VAL  20          HG13      VAL  20   4.053  -0.655   9.518
  140   1HG2  VAL  20          HG21      VAL  20   1.978  -1.764   9.395
  141   2HG2  VAL  20          HG22      VAL  20   2.190  -2.743   7.949
  142   3HG2  VAL  20          HG23      VAL  20   1.860  -3.513   9.508
  143    H    LEU  21           H        LEU  21   6.675  -3.244   7.145
  144    HA   LEU  21           HA       LEU  21   8.543  -4.550   9.089
  145   1HB   LEU  21          HB2       LEU  21   8.259  -5.686   6.901
  146   2HB   LEU  21          HB3       LEU  21   8.930  -4.260   6.093
  147    HG   LEU  21           HG       LEU  21  10.319  -6.011   8.182
  148   1HD1  LEU  21          HD11      LEU  21  10.715  -5.854   5.163
  149   2HD1  LEU  21          HD12      LEU  21  11.651  -6.861   6.292
  150   3HD1  LEU  21          HD13      LEU  21   9.932  -7.181   6.051
  151   1HD2  LEU  21          HD21      LEU  21  11.398  -3.913   8.362
  152   2HD2  LEU  21          HD22      LEU  21  12.416  -4.867   7.292
  153   3HD2  LEU  21          HD23      LEU  21  11.350  -3.631   6.599
  154    H    ALA  22           H        ALA  22   9.241  -2.964  10.324
  155    HA   ALA  22           HA       ALA  22   9.479  -0.225   9.310
  156   1HB   ALA  22          HB1       ALA  22   9.915  -1.496  12.032
  157   2HB   ALA  22          HB2       ALA  22  10.093   0.239  11.687
  158   3HB   ALA  22          HB3       ALA  22   8.499  -0.544  11.519
  159    H    ASP  23           H        ASP  23  11.466   0.850   9.213
  160    HA   ASP  23           HA       ASP  23  13.973  -0.776   9.338
  161   1HB   ASP  23          HB2       ASP  23  13.426  -0.586   7.021
  162   2HB   ASP  23          HB3       ASP  23  13.001   1.120   7.187
  163    H    PHE  24           H        PHE  24  14.667  -0.046  11.210
  164    HA   PHE  24           HA       PHE  24  14.636   2.760  12.054
  165   1HB   PHE  24          HB2       PHE  24  15.754   0.183  13.242
  166   2HB   PHE  24          HB3       PHE  24  16.035   1.770  13.932
  167    HD1  PHE  24           HD1      PHE  24  14.518   2.623  15.534
  168    HD2  PHE  24           HD2      PHE  24  13.184  -0.470  12.836
  169    HE1  PHE  24           HE1      PHE  24  12.292   2.649  16.596
  170    HE2  PHE  24           HE2      PHE  24  10.958  -0.430  13.917
  171    HZ   PHE  24           HZ       PHE  24  10.479   1.172  15.737
  172    H    TRP  25           H        TRP  25  16.009   4.104  11.140
  173    HA   TRP  25           HA       TRP  25  18.713   3.314  10.425
  174   1HB   TRP  25          HB2       TRP  25  18.380   3.054   8.245
  175   2HB   TRP  25          HB3       TRP  25  16.662   3.073   8.512
  176    HD1  TRP  25           HD1      TRP  25  19.319   4.815   6.664
  177    HE1  TRP  25           HE1      TRP  25  18.427   6.899   5.487
  178    HE3  TRP  25           HE3      TRP  25  14.879   5.317   9.129
  179    HZ2  TRP  25           HZ2      TRP  25  16.337   8.845   5.937
  180    HZ3  TRP  25           HZ3      TRP  25  13.509   7.381   8.830
  181    HH2  TRP  25           HH2      TRP  25  14.272   9.171   7.281
  182    H    ALA  26           H        ALA  26  19.562   5.551   9.122
  183    HA   ALA  26           HA       ALA  26  18.279   7.951  10.015
  184   1HB   ALA  26          HB1       ALA  26  21.147   7.422  10.967
  185   2HB   ALA  26          HB2       ALA  26  20.225   8.940  11.138
  186   3HB   ALA  26          HB3       ALA  26  19.718   7.503  12.026
  187    HA   PRO  27           HA       PRO  27  20.067   8.552   6.010
  188   1HB   PRO  27          HB2       PRO  27  20.166  11.275   5.670
  189   2HB   PRO  27          HB3       PRO  27  18.678  10.289   5.616
  190   1HG   PRO  27          HG2       PRO  27  19.780  11.890   7.948
  191   2HG   PRO  27          HG3       PRO  27  18.087  11.815   7.360
  192   1HD   PRO  27          HD2       PRO  27  18.977  10.344   9.494
  193   2HD   PRO  27          HD3       PRO  27  17.731   9.722   8.370
  194    H    TRP  28           H        TRP  28  21.791   9.651   8.810
  195    HA   TRP  28           HA       TRP  28  24.225  10.310   7.433
  196   1HB   TRP  28          HB2       TRP  28  24.297   9.386  10.255
  197   2HB   TRP  28          HB3       TRP  28  25.098  10.752   9.491
  198    HD1  TRP  28           HD1      TRP  28  22.337   9.835  11.653
  199    HE1  TRP  28           HE1      TRP  28  20.597  11.680  12.017
  200    HE3  TRP  28           HE3      TRP  28  23.902  13.071   8.036
  201    HZ2  TRP  28           HZ2      TRP  28  19.983  14.283  10.865
  202    HZ3  TRP  28           HZ3      TRP  28  22.707  15.214   7.659
  203    HH2  TRP  28           HH2      TRP  28  20.752  15.828   9.066
  204    H    CYS  29           H        CYS  29  22.602   7.362   8.022
  205    HA   CYS  29           HA       CYS  29  24.687   5.557   8.623
  206   1HB   CYS  29          HB2       CYS  29  22.173   5.235   8.845
  207   2HB   CYS  29          HB3       CYS  29  22.103   5.087   7.116
  208    H    GLY  30           H        GLY  30  25.652   3.953   7.205
  209   1HA   GLY  30          HA2       GLY  30  25.869   4.696   4.307
  210   2HA   GLY  30          HA3       GLY  30  27.130   3.901   5.249
  211    HA   PRO  31           HA       PRO  31  25.563  -0.156   4.452
  212   1HB   PRO  31          HB2       PRO  31  24.524  -0.546   7.257
  213   2HB   PRO  31          HB3       PRO  31  25.562  -1.628   6.286
  214   1HG   PRO  31          HG2       PRO  31  26.639  -0.079   8.233
  215   2HG   PRO  31          HG3       PRO  31  27.470  -0.236   6.650
  216   1HD   PRO  31          HD2       PRO  31  25.701   2.027   7.621
  217   2HD   PRO  31          HD3       PRO  31  27.264   2.106   6.754
  218    H    CYS  32           H        CYS  32  23.179   1.748   6.336
  219    HA   CYS  32           HA       CYS  32  20.833   0.388   5.605
  220   1HB   CYS  32          HB2       CYS  32  21.066   3.399   5.841
  221   2HB   CYS  32          HB3       CYS  32  19.660   2.393   6.127
  222    H    LYS  33           H        LYS  33  22.829   2.669   3.706
  223    HA   LYS  33           HA       LYS  33  20.834   3.179   1.703
  224   1HB   LYS  33          HB2       LYS  33  23.843   3.408   1.363
  225   2HB   LYS  33          HB3       LYS  33  22.592   4.276   0.485
  226   1HG   LYS  33          HG2       LYS  33  23.331   4.653   3.422
  227   2HG   LYS  33          HG3       LYS  33  23.760   5.709   2.086
  228   1HD   LYS  33          HD2       LYS  33  21.427   6.364   1.767
  229   2HD   LYS  33          HD3       LYS  33  20.880   5.160   2.939
  230   1HE   LYS  33          HE2       LYS  33  20.897   7.403   3.958
  231   2HE   LYS  33          HE3       LYS  33  22.028   6.297   4.767
  232   1HZ   LYS  33          HZ1       LYS  33  22.862   8.579   4.305
  233   2HZ   LYS  33          HZ2       LYS  33  23.829   7.370   3.824
  234   3HZ   LYS  33          HZ3       LYS  33  22.935   8.216   2.706
  235    H    MET  34           H        MET  34  23.037   0.494   2.299
  236    HA   MET  34           HA       MET  34  23.075  -0.486  -0.402
  237   1HB   MET  34          HB2       MET  34  23.460  -2.049   2.178
  238   2HB   MET  34          HB3       MET  34  23.933  -2.548   0.554
  239   1HG   MET  34          HG2       MET  34  25.494  -0.565   0.480
  240   2HG   MET  34          HG3       MET  34  25.106  -0.260   2.172
  241   1HE   MET  34          HE1       MET  34  24.966  -3.733   2.920
  242   2HE   MET  34          HE2       MET  34  26.494  -3.666   3.818
  243   3HE   MET  34          HE3       MET  34  25.298  -2.363   3.998
  244    H    ILE  35           H        ILE  35  21.050  -1.113   2.496
  245    HA   ILE  35           HA       ILE  35  19.511  -3.101   1.049
  246    HB   ILE  35           HB       ILE  35  20.172  -3.430   3.379
  247   1HG1  ILE  35          HG12      ILE  35  17.164  -3.466   2.953
  248   2HG1  ILE  35          HG13      ILE  35  18.312  -4.662   2.342
  249   1HG2  ILE  35          HG21      ILE  35  19.929  -1.164   4.247
  250   2HG2  ILE  35          HG22      ILE  35  18.156  -1.265   4.080
  251   3HG2  ILE  35          HG23      ILE  35  19.031  -2.303   5.229
  252   1HD1  ILE  35          HD11      ILE  35  17.609  -4.079   5.245
  253   2HD1  ILE  35          HD12      ILE  35  17.312  -5.558   4.323
  254   3HD1  ILE  35          HD13      ILE  35  18.967  -5.116   4.756
  255    H    ALA  36           H        ALA  36  19.110   0.349   1.780
  256    HA   ALA  36           HA       ALA  36  16.415   0.673   1.569
  257   1HB   ALA  36          HB1       ALA  36  17.937   2.506   1.996
  258   2HB   ALA  36          HB2       ALA  36  18.555   2.446   0.332
  259   3HB   ALA  36          HB3       ALA  36  16.871   2.915   0.639
  260    HA   PRO  37           HA       PRO  37  16.158   0.569  -3.182
  261   1HB   PRO  37          HB2       PRO  37  18.071  -0.736  -4.683
  262   2HB   PRO  37          HB3       PRO  37  18.089   1.020  -4.336
  263   1HG   PRO  37          HG2       PRO  37  19.571  -1.183  -2.874
  264   2HG   PRO  37          HG3       PRO  37  20.214   0.385  -3.459
  265   1HD   PRO  37          HD2       PRO  37  19.475   0.054  -0.890
  266   2HD   PRO  37          HD3       PRO  37  19.111   1.581  -1.741
  267    H    VAL  38           H        VAL  38  17.617  -2.128  -1.391
  268    HA   VAL  38           HA       VAL  38  16.208  -4.174  -2.825
  269    HB   VAL  38           HB       VAL  38  17.205  -4.399   0.043
  270   1HG1  VAL  38          HG11      VAL  38  17.443  -6.772  -0.587
  271   2HG1  VAL  38          HG12      VAL  38  15.775  -6.232  -0.837
  272   3HG1  VAL  38          HG13      VAL  38  16.853  -6.399  -2.233
  273   1HG2  VAL  38          HG21      VAL  38  19.322  -5.279  -0.870
  274   2HG2  VAL  38          HG22      VAL  38  18.818  -4.819  -2.514
  275   3HG2  VAL  38          HG23      VAL  38  19.120  -3.578  -1.278
  276    H    LEU  39           H        LEU  39  15.530  -2.195   0.139
  277    HA   LEU  39           HA       LEU  39  13.007  -3.392   0.685
  278   1HB   LEU  39          HB2       LEU  39  13.972  -0.563   1.253
  279   2HB   LEU  39          HB3       LEU  39  12.479  -1.250   1.866
  280    HG   LEU  39           HG       LEU  39  15.264  -2.293   2.496
  281   1HD1  LEU  39          HD11      LEU  39  13.301  -0.729   4.217
  282   2HD1  LEU  39          HD12      LEU  39  14.877  -1.368   4.736
  283   3HD1  LEU  39          HD13      LEU  39  14.802  -0.098   3.507
  284   1HD2  LEU  39          HD21      LEU  39  12.555  -3.136   3.620
  285   2HD2  LEU  39          HD22      LEU  39  13.642  -4.132   2.626
  286   3HD2  LEU  39          HD23      LEU  39  14.136  -3.651   4.247
  287    H    GLU  40           H        GLU  40  13.885  -0.666  -1.522
  288    HA   GLU  40           HA       GLU  40  11.205  -0.158  -2.331
  289   1HB   GLU  40          HB2       GLU  40  13.819   0.194  -3.840
  290   2HB   GLU  40          HB3       GLU  40  12.248   0.707  -4.456
  291   1HG   GLU  40          HG2       GLU  40  11.926   2.162  -2.482
  292   2HG   GLU  40          HG3       GLU  40  13.505   1.690  -1.860
  293    H    GLU  41           H        GLU  41  13.574  -2.528  -3.623
  294    HA   GLU  41           HA       GLU  41  11.809  -3.541  -5.630
  295   1HB   GLU  41          HB2       GLU  41  14.193  -4.765  -4.201
  296   2HB   GLU  41          HB3       GLU  41  13.264  -5.624  -5.435
  297   1HG   GLU  41          HG2       GLU  41  13.741  -3.902  -7.093
  298   2HG   GLU  41          HG3       GLU  41  14.594  -2.927  -5.901
  299    H    LEU  42           H        LEU  42  12.251  -4.364  -2.210
  300    HA   LEU  42           HA       LEU  42  10.495  -6.589  -2.124
  301   1HB   LEU  42          HB2       LEU  42  12.177  -5.282  -0.321
  302   2HB   LEU  42          HB3       LEU  42  10.611  -4.843   0.304
  303    HG   LEU  42           HG       LEU  42  11.489  -6.776   1.424
  304   1HD1  LEU  42          HD11      LEU  42   9.268  -7.737  -0.404
  305   2HD1  LEU  42          HD12      LEU  42   9.690  -8.378   1.196
  306   3HD1  LEU  42          HD13      LEU  42   9.036  -6.737   1.043
  307   1HD2  LEU  42          HD21      LEU  42  12.996  -7.593  -0.341
  308   2HD2  LEU  42          HD22      LEU  42  11.977  -8.892   0.302
  309   3HD2  LEU  42          HD23      LEU  42  11.613  -8.196  -1.276
  310    H    ASP  43           H        ASP  43   9.915  -3.095  -1.581
  311    HA   ASP  43           HA       ASP  43   7.172  -3.224  -0.983
  312   1HB   ASP  43          HB2       ASP  43   8.658  -1.176  -0.844
  313   2HB   ASP  43          HB3       ASP  43   8.562  -1.054  -2.612
  314    H    GLN  44           H        GLN  44   8.854  -3.018  -4.113
  315    HA   GLN  44           HA       GLN  44   6.448  -2.900  -5.662
  316   1HB   GLN  44          HB2       GLN  44   9.339  -3.489  -6.366
  317   2HB   GLN  44          HB3       GLN  44   8.057  -3.358  -7.578
  318   1HG   GLN  44          HG2       GLN  44   7.577  -1.073  -6.995
  319   2HG   GLN  44          HG3       GLN  44   8.589  -1.133  -5.553
  320   1HE2  GLN  44          HE22      GLN  44  10.890  -1.248  -5.792
  321   2HE2  GLN  44          HE21      GLN  44  11.691  -0.690  -7.262
  322    H    GLU  45           H        GLU  45   7.832  -5.563  -4.023
  323    HA   GLU  45           HA       GLU  45   6.611  -7.579  -5.824
  324   1HB   GLU  45          HB2       GLU  45   8.716  -7.649  -3.645
  325   2HB   GLU  45          HB3       GLU  45   7.985  -9.123  -4.281
  326   1HG   GLU  45          HG2       GLU  45   9.372  -7.061  -6.036
  327   2HG   GLU  45          HG3       GLU  45  10.200  -8.445  -5.325
  328    H    MET  46           H        MET  46   6.409  -6.204  -2.570
  329    HA   MET  46           HA       MET  46   4.201  -8.125  -1.947
  330   1HB   MET  46          HB2       MET  46   6.277  -6.986  -0.040
  331   2HB   MET  46          HB3       MET  46   5.003  -8.152   0.329
  332   1HG   MET  46          HG2       MET  46   6.114  -9.614  -1.541
  333   2HG   MET  46          HG3       MET  46   7.499  -8.556  -1.333
  334   1HE   MET  46          HE1       MET  46   6.064 -11.993   1.235
  335   2HE   MET  46          HE2       MET  46   4.903 -10.819   0.550
  336   3HE   MET  46          HE3       MET  46   5.997 -11.725  -0.526
  337    H    GLY  47           H        GLY  47   4.628  -4.867  -2.559
  338   1HA   GLY  47          HA2       GLY  47   3.528  -3.485  -0.470
  339   2HA   GLY  47          HA3       GLY  47   3.349  -3.047  -2.170
  340    H    ASP  48           H        ASP  48   1.719  -5.825  -2.212
  341    HA   ASP  48           HA       ASP  48  -0.891  -4.579  -1.828
  342   1HB   ASP  48          HB2       ASP  48  -0.464  -6.109  -3.735
  343   2HB   ASP  48          HB3       ASP  48  -0.180  -7.430  -2.595
  344    H    LYS  49           H        LYS  49   1.312  -6.650  -0.071
  345    HA   LYS  49           HA       LYS  49  -0.745  -7.297   2.006
  346   1HB   LYS  49          HB2       LYS  49   1.855  -8.785   1.427
  347   2HB   LYS  49          HB3       LYS  49   0.559  -9.267   2.514
  348   1HG   LYS  49          HG2       LYS  49   0.503  -9.249  -0.523
  349   2HG   LYS  49          HG3       LYS  49   0.534 -10.648   0.550
  350   1HD   LYS  49          HD2       LYS  49  -1.739  -9.980   1.423
  351   2HD   LYS  49          HD3       LYS  49  -1.747  -8.658   0.238
  352   1HE   LYS  49          HE2       LYS  49  -1.193 -10.576  -1.490
  353   2HE   LYS  49          HE3       LYS  49  -1.840 -11.648  -0.239
  354   1HZ   LYS  49          HZ1       LYS  49  -3.893 -10.272  -0.332
  355   2HZ   LYS  49          HZ2       LYS  49  -3.217  -9.380  -1.550
  356   3HZ   LYS  49          HZ3       LYS  49  -3.561 -10.967  -1.775
  357    H    LEU  50           H        LEU  50   2.311  -5.724   1.339
  358    HA   LEU  50           HA       LEU  50   2.970  -5.574   4.225
  359   1HB   LEU  50          HB2       LEU  50   4.454  -6.956   2.791
  360   2HB   LEU  50          HB3       LEU  50   4.664  -5.580   1.702
  361    HG   LEU  50           HG       LEU  50   5.808  -4.317   3.528
  362   1HD1  LEU  50          HD11      LEU  50   6.595  -5.571   5.494
  363   2HD1  LEU  50          HD12      LEU  50   4.843  -5.473   5.487
  364   3HD1  LEU  50          HD13      LEU  50   5.637  -6.985   5.000
  365   1HD2  LEU  50          HD21      LEU  50   7.088  -5.460   1.846
  366   2HD2  LEU  50          HD22      LEU  50   7.897  -5.653   3.410
  367   3HD2  LEU  50          HD23      LEU  50   6.957  -7.000   2.715
  368    H    LYS  51           H        LYS  51   3.684  -3.672   5.043
  369    HA   LYS  51           HA       LYS  51   3.837  -1.237   3.315
  370   1HB   LYS  51          HB2       LYS  51   1.874  -1.123   4.900
  371   2HB   LYS  51          HB3       LYS  51   2.978  -1.426   6.240
  372   1HG   LYS  51          HG2       LYS  51   4.234   0.713   5.504
  373   2HG   LYS  51          HG3       LYS  51   2.863   1.030   4.440
  374   1HD   LYS  51          HD2       LYS  51   2.721   0.653   7.468
  375   2HD   LYS  51          HD3       LYS  51   2.829   2.215   6.653
  376   1HE   LYS  51          HE2       LYS  51   0.689   1.777   5.480
  377   2HE   LYS  51          HE3       LYS  51   0.555   0.209   6.299
  378   1HZ   LYS  51          HZ1       LYS  51  -0.708   1.955   7.443
  379   2HZ   LYS  51          HZ2       LYS  51   0.508   1.385   8.402
  380   3HZ   LYS  51          HZ3       LYS  51   0.656   2.844   7.655
  381    H    ILE  52           H        ILE  52   5.760   0.012   3.803
  382    HA   ILE  52           HA       ILE  52   7.671  -1.318   5.668
  383    HB   ILE  52           HB       ILE  52   8.245  -0.021   2.992
  384   1HG1  ILE  52          HG12      ILE  52   8.606  -2.877   4.007
  385   2HG1  ILE  52          HG13      ILE  52   7.421  -2.330   2.824
  386   1HG2  ILE  52          HG21      ILE  52  10.633  -0.442   3.420
  387   2HG2  ILE  52          HG22      ILE  52   9.985   0.627   4.649
  388   3HG2  ILE  52          HG23      ILE  52  10.250  -1.091   5.029
  389   1HD1  ILE  52          HD11      ILE  52   9.124  -3.392   1.591
  390   2HD1  ILE  52          HD12      ILE  52   9.339  -1.652   1.317
  391   3HD1  ILE  52          HD13      ILE  52  10.415  -2.525   2.434
  392    H    VAL  53           H        VAL  53   8.649   0.126   7.139
  393    HA   VAL  53           HA       VAL  53   7.659   2.961   7.005
  394    HB   VAL  53           HB       VAL  53   7.405   1.014   9.332
  395   1HG1  VAL  53          HG11      VAL  53   6.364   2.927  10.556
  396   2HG1  VAL  53          HG12      VAL  53   8.070   3.229  10.224
  397   3HG1  VAL  53          HG13      VAL  53   6.828   4.017   9.228
  398   1HG2  VAL  53          HG21      VAL  53   5.009   1.537   9.162
  399   2HG2  VAL  53          HG22      VAL  53   5.315   2.589   7.768
  400   3HG2  VAL  53          HG23      VAL  53   5.602   0.845   7.648
  401    H    LYS  54           H        LYS  54   9.564   4.013   6.589
  402    HA   LYS  54           HA       LYS  54  12.040   3.176   7.968
  403   1HB   LYS  54          HB2       LYS  54  11.479   5.618   6.225
  404   2HB   LYS  54          HB3       LYS  54  13.061   5.124   6.855
  405   1HG   LYS  54          HG2       LYS  54  12.761   2.907   5.660
  406   2HG   LYS  54          HG3       LYS  54  11.343   3.584   4.860
  407   1HD   LYS  54          HD2       LYS  54  14.182   4.689   4.683
  408   2HD   LYS  54          HD3       LYS  54  13.401   3.654   3.479
  409   1HE   LYS  54          HE2       LYS  54  11.630   5.390   3.150
  410   2HE   LYS  54          HE3       LYS  54  12.474   6.443   4.294
  411   1HZ   LYS  54          HZ1       LYS  54  13.049   6.976   2.006
  412   2HZ   LYS  54          HZ2       LYS  54  14.380   6.446   2.784
  413   3HZ   LYS  54          HZ3       LYS  54  13.601   5.471   1.728
  414    H    ILE  55           H        ILE  55  12.874   4.182   9.815
  415    HA   ILE  55           HA       ILE  55  11.512   6.586  10.833
  416    HB   ILE  55           HB       ILE  55  10.190   4.878  11.787
  417   1HG1  ILE  55          HG12      ILE  55  12.078   5.776  13.993
  418   2HG1  ILE  55          HG13      ILE  55  10.985   6.877  13.150
  419   1HG2  ILE  55          HG21      ILE  55  11.694   2.909  11.625
  420   2HG2  ILE  55          HG22      ILE  55  12.665   3.560  12.965
  421   3HG2  ILE  55          HG23      ILE  55  10.986   3.071  13.229
  422   1HD1  ILE  55          HD11      ILE  55  10.105   4.440  14.744
  423   2HD1  ILE  55          HD12      ILE  55   9.978   6.130  15.245
  424   3HD1  ILE  55          HD13      ILE  55   9.034   5.559  13.863
  425    H    ASP  56           H        ASP  56  12.898   8.007  11.545
  426    HA   ASP  56           HA       ASP  56  15.739   7.436  11.267
  427   1HB   ASP  56          HB2       ASP  56  14.807   9.421  10.251
  428   2HB   ASP  56          HB3       ASP  56  14.230  10.002  11.816
  429    H    VAL  57           H        VAL  57  16.733   6.521  13.022
  430    HA   VAL  57           HA       VAL  57  15.660   6.583  15.642
  431    HB   VAL  57           HB       VAL  57  17.725   5.531  16.367
  432   1HG1  VAL  57          HG11      VAL  57  17.568   3.523  15.032
  433   2HG1  VAL  57          HG12      VAL  57  15.957   4.240  15.202
  434   3HG1  VAL  57          HG13      VAL  57  16.842   4.411  13.675
  435   1HG2  VAL  57          HG21      VAL  57  19.416   6.769  15.049
  436   2HG2  VAL  57          HG22      VAL  57  19.575   5.021  14.847
  437   3HG2  VAL  57          HG23      VAL  57  18.831   5.992  13.565
  438    H    ASP  58           H        ASP  58  17.669   8.987  14.025
  439    HA   ASP  58           HA       ASP  58  18.913  10.048  16.394
  440   1HB   ASP  58          HB2       ASP  58  19.718  10.476  14.087
  441   2HB   ASP  58          HB3       ASP  58  18.263  11.429  13.769
  442    H    GLU  59           H        GLU  59  15.676  10.239  15.177
  443    HA   GLU  59           HA       GLU  59  14.990  12.396  17.139
  444   1HB   GLU  59          HB2       GLU  59  13.677  11.645  14.497
  445   2HB   GLU  59          HB3       GLU  59  13.051  12.839  15.644
  446   1HG   GLU  59          HG2       GLU  59  15.236  14.106  15.403
  447   2HG   GLU  59          HG3       GLU  59  15.644  13.028  14.066
  448    H    ASN  60           H        ASN  60  15.050   9.152  16.942
  449    HA   ASN  60           HA       ASN  60  12.427   8.733  18.290
  450   1HB   ASN  60          HB2       ASN  60  13.386   7.238  15.815
  451   2HB   ASN  60          HB3       ASN  60  12.078   6.701  16.848
  452   1HD2  ASN  60          HD22      ASN  60  12.950   8.923  14.339
  453   2HD2  ASN  60          HD21      ASN  60  11.359   9.638  14.140
  454    H    GLN  61           H        GLN  61  14.983   8.941  19.438
  455    HA   GLN  61           HA       GLN  61  16.248   6.473  19.969
  456   1HB   GLN  61          HB2       GLN  61  15.879   8.963  21.683
  457   2HB   GLN  61          HB3       GLN  61  16.895   7.602  22.159
  458   1HG   GLN  61          HG2       GLN  61  17.287   9.197  19.592
  459   2HG   GLN  61          HG3       GLN  61  18.151   9.495  21.097
  460   1HE2  GLN  61          HE22      GLN  61  18.011   7.542  18.236
  461   2HE2  GLN  61          HE21      GLN  61  19.350   6.465  18.631
  462    H    GLU  62           H        GLU  62  13.235   7.880  21.295
  463    HA   GLU  62           HA       GLU  62  12.927   5.994  23.405
  464   1HB   GLU  62          HB2       GLU  62  10.876   7.652  21.868
  465   2HB   GLU  62          HB3       GLU  62  10.514   6.698  23.315
  466   1HG   GLU  62          HG2       GLU  62  12.202   8.014  24.597
  467   2HG   GLU  62          HG3       GLU  62  12.501   9.010  23.172
  468    H    THR  63           H        THR  63  11.594   6.001  19.998
  469    HA   THR  63           HA       THR  63  10.240   3.554  20.278
  470    HB   THR  63           HB       THR  63  11.408   4.379  17.678
  471    HG1  THR  63           HG1      THR  63   9.874   6.085  17.522
  472   1HG2  THR  63          HG21      THR  63   9.707   2.552  17.819
  473   2HG2  THR  63          HG22      THR  63   8.535   3.727  18.449
  474   3HG2  THR  63          HG23      THR  63   9.180   3.891  16.800
  475    H    ALA  64           H        ALA  64  13.555   4.323  19.142
  476    HA   ALA  64           HA       ALA  64  14.363   1.681  18.502
  477   1HB   ALA  64          HB1       ALA  64  16.678   2.621  18.852
  478   2HB   ALA  64          HB2       ALA  64  15.658   3.695  17.877
  479   3HB   ALA  64          HB3       ALA  64  15.966   4.059  19.588
  480    H    GLY  65           H        GLY  65  14.660   3.499  21.609
  481   1HA   GLY  65          HA2       GLY  65  15.794   1.430  23.156
  482   2HA   GLY  65          HA3       GLY  65  14.829   2.792  23.758
  483    H    LYS  66           H        LYS  66  12.440   1.999  22.176
  484    HA   LYS  66           HA       LYS  66  10.992   0.471  23.996
  485   1HB   LYS  66          HB2       LYS  66  10.366   1.985  21.884
  486   2HB   LYS  66          HB3       LYS  66  10.202   0.407  21.123
  487   1HG   LYS  66          HG2       LYS  66   8.660  -0.317  22.922
  488   2HG   LYS  66          HG3       LYS  66   8.904   1.205  23.792
  489   1HD   LYS  66          HD2       LYS  66   7.698   0.957  21.032
  490   2HD   LYS  66          HD3       LYS  66   6.782   1.081  22.548
  491   1HE   LYS  66          HE2       LYS  66   7.787   3.311  22.987
  492   2HE   LYS  66          HE3       LYS  66   8.706   3.200  21.486
  493   1HZ   LYS  66          HZ1       LYS  66   6.785   4.512  21.084
  494   2HZ   LYS  66          HZ2       LYS  66   6.537   3.093  20.310
  495   3HZ   LYS  66          HZ3       LYS  66   5.769   3.391  21.724
  496    H    TYR  67           H        TYR  67  12.970  -0.634  21.254
  497    HA   TYR  67           HA       TYR  67  12.432  -3.457  22.095
  498   1HB   TYR  67          HB2       TYR  67  13.373  -2.794  19.341
  499   2HB   TYR  67          HB3       TYR  67  12.413  -4.156  19.891
  500    HD1  TYR  67           HD1      TYR  67  12.424  -0.913  18.355
  501    HD2  TYR  67           HD2      TYR  67   9.927  -3.592  20.638
  502    HE1  TYR  67           HE1      TYR  67  10.476   0.425  17.765
  503    HE2  TYR  67           HE2      TYR  67   7.929  -2.274  19.999
  504    HH   TYR  67           HH       TYR  67   7.133  -0.407  18.858
  505    H    GLY  68           H        GLY  68  14.665  -1.274  22.721
  506   1HA   GLY  68          HA2       GLY  68  16.870  -1.333  23.260
  507   2HA   GLY  68          HA3       GLY  68  16.828  -3.092  23.064
  508    H    VAL  69           H        VAL  69  16.005  -0.920  20.365
  509    HA   VAL  69           HA       VAL  69  18.136  -1.941  18.670
  510    HB   VAL  69           HB       VAL  69  16.324   0.485  18.330
  511   1HG1  VAL  69          HG11      VAL  69  18.029  -1.027  16.322
  512   2HG1  VAL  69          HG12      VAL  69  16.819   0.205  15.901
  513   3HG1  VAL  69          HG13      VAL  69  18.239   0.653  16.846
  514   1HG2  VAL  69          HG21      VAL  69  14.969  -0.960  16.822
  515   2HG2  VAL  69          HG22      VAL  69  15.916  -2.366  17.367
  516   3HG2  VAL  69          HG23      VAL  69  14.909  -1.452  18.507
  517    H    MET  70           H        MET  70  20.194  -1.197  18.634
  518    HA   MET  70           HA       MET  70  20.832   1.531  19.604
  519   1HB   MET  70          HB2       MET  70  21.030  -0.376  21.376
  520   2HB   MET  70          HB3       MET  70  22.449  -0.888  20.456
  521   1HG   MET  70          HG2       MET  70  23.454   1.363  20.813
  522   2HG   MET  70          HG3       MET  70  22.007   1.883  21.669
  523   1HE   MET  70          HE1       MET  70  22.213   0.002  25.070
  524   2HE   MET  70          HE2       MET  70  21.363   1.215  24.089
  525   3HE   MET  70          HE3       MET  70  21.270  -0.510  23.658
  526    H    SER  71           H        SER  71  20.885  -0.444  17.052
  527    HA   SER  71           HA       SER  71  23.253   0.719  15.833
  528   1HB   SER  71          HB2       SER  71  22.653  -2.279  15.751
  529   2HB   SER  71          HB3       SER  71  23.976  -1.450  14.917
  530    HG   SER  71           HG       SER  71  24.656  -2.472  16.854
  531    H    ILE  72           H        ILE  72  23.048   0.443  13.400
  532    HA   ILE  72           HA       ILE  72  20.376  -0.224  12.436
  533    HB   ILE  72           HB       ILE  72  20.219   1.884  11.153
  534   1HG1  ILE  72          HG12      ILE  72  22.388   2.992  12.985
  535   2HG1  ILE  72          HG13      ILE  72  22.638   2.555  11.292
  536   1HG2  ILE  72          HG21      ILE  72  18.998   1.473  13.325
  537   2HG2  ILE  72          HG22      ILE  72  20.240   2.440  14.143
  538   3HG2  ILE  72          HG23      ILE  72  19.202   3.172  12.905
  539   1HD1  ILE  72          HD11      ILE  72  20.742   4.717  12.291
  540   2HD1  ILE  72          HD12      ILE  72  22.288   4.943  11.456
  541   3HD1  ILE  72          HD13      ILE  72  20.925   4.195  10.601
  542    HA   PRO  73           HA       PRO  73  19.482   0.206  10.023
  543   1HB   PRO  73          HB2       PRO  73  18.972  -1.748   8.181
  544   2HB   PRO  73          HB3       PRO  73  19.677  -0.164   7.758
  545   1HG   PRO  73          HG2       PRO  73  21.112  -2.792   8.208
  546   2HG   PRO  73          HG3       PRO  73  21.357  -1.615   6.882
  547   1HD   PRO  73          HD2       PRO  73  22.974  -1.694   9.087
  548   2HD   PRO  73          HD3       PRO  73  22.560  -0.152   8.286
  549    H    THR  74           H        THR  74  17.846  -0.726  11.179
  550    HA   THR  74           HA       THR  74  18.090  -3.596  11.940
  551    HB   THR  74           HB       THR  74  17.536  -1.263  13.811
  552    HG1  THR  74           HG1      THR  74  19.514  -1.619  14.321
  553   1HG2  THR  74          HG21      THR  74  15.947  -2.937  14.460
  554   2HG2  THR  74          HG22      THR  74  17.104  -4.256  14.210
  555   3HG2  THR  74          HG23      THR  74  17.322  -3.125  15.558
  556    H    LEU  75           H        LEU  75  16.157  -4.676  11.916
  557    HA   LEU  75           HA       LEU  75  13.951  -3.217  10.562
  558   1HB   LEU  75          HB2       LEU  75  14.909  -6.062  10.133
  559   2HB   LEU  75          HB3       LEU  75  13.568  -5.287   9.306
  560    HG   LEU  75           HG       LEU  75  16.515  -4.525   9.065
  561   1HD1  LEU  75          HD11      LEU  75  16.334  -5.437   6.797
  562   2HD1  LEU  75          HD12      LEU  75  15.930  -6.672   7.994
  563   3HD1  LEU  75          HD13      LEU  75  14.634  -5.870   7.082
  564   1HD2  LEU  75          HD21      LEU  75  14.100  -3.338   7.640
  565   2HD2  LEU  75          HD22      LEU  75  15.226  -2.514   8.733
  566   3HD2  LEU  75          HD23      LEU  75  15.792  -3.083   7.164
  567    H    LEU  76           H        LEU  76  11.976  -3.483  11.525
  568    HA   LEU  76           HA       LEU  76  11.674  -5.607  13.641
  569   1HB   LEU  76          HB2       LEU  76  10.784  -2.700  13.625
  570   2HB   LEU  76          HB3       LEU  76   9.884  -3.909  14.506
  571    HG   LEU  76           HG       LEU  76  11.437  -2.531  15.899
  572   1HD1  LEU  76          HD11      LEU  76  11.918  -5.546  15.874
  573   2HD1  LEU  76          HD12      LEU  76  12.294  -4.447  17.219
  574   3HD1  LEU  76          HD13      LEU  76  10.618  -4.670  16.706
  575   1HD2  LEU  76          HD21      LEU  76  13.337  -2.480  14.240
  576   2HD2  LEU  76          HD22      LEU  76  13.785  -2.876  15.912
  577   3HD2  LEU  76          HD23      LEU  76  13.695  -4.156  14.695
  578    H    VAL  77           H        VAL  77  10.072  -6.977  13.085
  579    HA   VAL  77           HA       VAL  77   8.286  -6.212  10.811
  580    HB   VAL  77           HB       VAL  77   8.643  -8.974  12.006
  581   1HG1  VAL  77          HG11      VAL  77   6.546  -8.583  10.759
  582   2HG1  VAL  77          HG12      VAL  77   7.473  -8.011   9.357
  583   3HG1  VAL  77          HG13      VAL  77   7.596  -9.704   9.883
  584   1HG2  VAL  77          HG21      VAL  77   9.999  -9.590  10.081
  585   2HG2  VAL  77          HG22      VAL  77  10.037  -7.902   9.521
  586   3HG2  VAL  77          HG23      VAL  77  10.833  -8.370  11.043
  587    H    LEU  78           H        LEU  78   6.309  -5.592  11.467
  588    HA   LEU  78           HA       LEU  78   5.346  -6.480  14.121
  589   1HB   LEU  78          HB2       LEU  78   4.795  -3.813  12.735
  590   2HB   LEU  78          HB3       LEU  78   4.007  -4.405  14.190
  591    HG   LEU  78           HG       LEU  78   6.579  -4.625  15.015
  592   1HD1  LEU  78          HD11      LEU  78   7.862  -2.629  14.343
  593   2HD1  LEU  78          HD12      LEU  78   7.600  -3.729  12.985
  594   3HD1  LEU  78          HD13      LEU  78   6.640  -2.255  13.115
  595   1HD2  LEU  78          HD21      LEU  78   5.014  -2.029  15.147
  596   2HD2  LEU  78          HD22      LEU  78   4.780  -3.433  16.206
  597   3HD2  LEU  78          HD23      LEU  78   6.309  -2.548  16.239
  598    H    LYS  79           H        LYS  79   3.118  -6.974  14.178
  599    HA   LYS  79           HA       LYS  79   1.697  -7.033  11.567
  600   1HB   LYS  79          HB2       LYS  79   2.654  -9.306  11.976
  601   2HB   LYS  79          HB3       LYS  79   1.775  -9.367  13.517
  602   1HG   LYS  79          HG2       LYS  79  -0.378  -9.126  12.250
  603   2HG   LYS  79          HG3       LYS  79   0.550  -9.142  10.735
  604   1HD   LYS  79          HD2       LYS  79   1.419 -11.424  11.341
  605   2HD   LYS  79          HD3       LYS  79   0.482 -11.360  12.833
  606   1HE   LYS  79          HE2       LYS  79  -0.757 -12.702  11.323
  607   2HE   LYS  79          HE3       LYS  79  -1.628 -11.174  11.474
  608   1HZ   LYS  79          HZ1       LYS  79  -0.729 -10.523   9.326
  609   2HZ   LYS  79          HZ2       LYS  79   0.194 -11.887   9.239
  610   3HZ   LYS  79          HZ3       LYS  79  -1.433 -11.989   9.171
  611    H    ASP  80           H        ASP  80  -0.049  -5.849  11.864
  612    HA   ASP  80           HA       ASP  80  -1.788  -4.764  12.797
  613   1HB   ASP  80          HB2       ASP  80  -2.648  -7.056  12.553
  614   2HB   ASP  80          HB3       ASP  80  -2.181  -7.418  14.215
  615    H    GLY  81           H        GLY  81   0.620  -4.139  14.054
  616   1HA   GLY  81          HA2       GLY  81   0.919  -2.452  15.580
  617   2HA   GLY  81          HA3       GLY  81  -0.491  -2.975  16.497
  618    H    GLU  82           H        GLU  82   1.476  -5.760  16.114
  619    HA   GLU  82           HA       GLU  82   3.060  -5.089  18.556
  620   1HB   GLU  82          HB2       GLU  82   2.645  -7.154  19.490
  621   2HB   GLU  82          HB3       GLU  82   1.074  -6.670  18.850
  622   1HG   GLU  82          HG2       GLU  82   1.494  -8.175  16.862
  623   2HG   GLU  82          HG3       GLU  82   2.992  -8.710  17.612
  624    H    VAL  83           H        VAL  83   5.225  -5.872  18.592
  625    HA   VAL  83           HA       VAL  83   6.484  -6.444  16.025
  626    HB   VAL  83           HB       VAL  83   7.560  -6.730  18.860
  627   1HG1  VAL  83          HG11      VAL  83   8.867  -8.067  17.239
  628   2HG1  VAL  83          HG12      VAL  83   9.007  -6.664  16.160
  629   3HG1  VAL  83          HG13      VAL  83   9.789  -6.663  17.758
  630   1HG2  VAL  83          HG21      VAL  83   6.969  -4.366  18.347
  631   2HG2  VAL  83          HG22      VAL  83   8.714  -4.607  18.447
  632   3HG2  VAL  83          HG23      VAL  83   7.945  -4.453  16.863
  633    H    VAL  84           H        VAL  84   6.643  -8.298  15.068
  634    HA   VAL  84           HA       VAL  84   6.217 -10.800  16.619
  635    HB   VAL  84           HB       VAL  84   5.271 -11.766  14.611
  636   1HG1  VAL  84          HG11      VAL  84   3.827 -10.712  16.331
  637   2HG1  VAL  84          HG12      VAL  84   3.754  -9.248  15.324
  638   3HG1  VAL  84          HG13      VAL  84   3.113 -10.789  14.717
  639   1HG2  VAL  84          HG21      VAL  84   4.604 -10.423  12.677
  640   2HG2  VAL  84          HG22      VAL  84   5.304  -8.961  13.392
  641   3HG2  VAL  84          HG23      VAL  84   6.354 -10.300  12.881
  642    H    GLU  85           H        GLU  85   8.495  -9.002  14.560
  643    HA   GLU  85           HA       GLU  85  10.411 -11.112  15.179
  644   1HB   GLU  85          HB2       GLU  85   9.202 -11.033  12.520
  645   2HB   GLU  85          HB3       GLU  85  10.908 -10.673  12.393
  646   1HG   GLU  85          HG2       GLU  85   9.783 -13.129  13.804
  647   2HG   GLU  85          HG3       GLU  85  10.281 -13.063  12.117
  648    H    THR  86           H        THR  86  12.656 -10.493  14.396
  649    HA   THR  86           HA       THR  86  13.076  -7.598  13.969
  650    HB   THR  86           HB       THR  86  14.502  -9.203  16.127
  651    HG1  THR  86           HG1      THR  86  12.349  -8.862  16.720
  652   1HG2  THR  86          HG21      THR  86  14.457  -6.214  15.509
  653   2HG2  THR  86          HG22      THR  86  15.184  -6.933  16.964
  654   3HG2  THR  86          HG23      THR  86  15.849  -7.311  15.373
  655    H    SER  87           H        SER  87  15.128  -7.206  12.894
  656    HA   SER  87           HA       SER  87  17.083  -9.355  12.600
  657   1HB   SER  87          HB2       SER  87  15.622  -8.136  10.220
  658   2HB   SER  87          HB3       SER  87  17.180  -8.973  10.087
  659    HG   SER  87           HG       SER  87  15.150 -10.262  11.494
  660    H    VAL  88           H        VAL  88  19.180  -8.426  11.863
  661    HA   VAL  88           HA       VAL  88  19.347  -5.461  12.027
  662    HB   VAL  88           HB       VAL  88  21.117  -7.421  13.531
  663   1HG1  VAL  88          HG11      VAL  88  21.035  -4.371  13.539
  664   2HG1  VAL  88          HG12      VAL  88  22.006  -5.367  14.644
  665   3HG1  VAL  88          HG13      VAL  88  22.348  -5.395  12.915
  666   1HG2  VAL  88          HG21      VAL  88  20.139  -6.471  15.608
  667   2HG2  VAL  88          HG22      VAL  88  18.973  -5.559  14.629
  668   3HG2  VAL  88          HG23      VAL  88  18.936  -7.337  14.656
  669    H    GLY  89           H        GLY  89  20.940  -4.596  10.688
  670   1HA   GLY  89          HA2       GLY  89  22.709  -4.534   9.208
  671   2HA   GLY  89          HA3       GLY  89  22.977  -6.265   9.422
  672    H    PHE  90           H        PHE  90  23.305  -5.819   6.987
  673    HA   PHE  90           HA       PHE  90  21.081  -5.416   5.251
  674   1HB   PHE  90          HB2       PHE  90  23.455  -5.121   4.610
  675   2HB   PHE  90          HB3       PHE  90  23.728  -6.850   4.788
  676    HD1  PHE  90           HD1      PHE  90  22.871  -8.455   3.108
  677    HD2  PHE  90           HD2      PHE  90  22.224  -4.209   2.691
  678    HE1  PHE  90           HE1      PHE  90  22.156  -8.791   0.757
  679    HE2  PHE  90           HE2      PHE  90  21.508  -4.555   0.337
  680    HZ   PHE  90           HZ       PHE  90  21.464  -6.844  -0.629
  681    H    LYS  91           H        LYS  91  19.825  -6.932   4.084
  682    HA   LYS  91           HA       LYS  91  20.225  -9.795   4.447
  683   1HB   LYS  91          HB2       LYS  91  17.798  -8.363   5.486
  684   2HB   LYS  91          HB3       LYS  91  17.523  -9.811   4.509
  685   1HG   LYS  91          HG2       LYS  91  19.117 -11.090   5.927
  686   2HG   LYS  91          HG3       LYS  91  19.273  -9.675   6.996
  687   1HD   LYS  91          HD2       LYS  91  16.869  -9.792   7.508
  688   2HD   LYS  91          HD3       LYS  91  16.685 -11.144   6.360
  689   1HE   LYS  91          HE2       LYS  91  18.300 -12.491   7.696
  690   2HE   LYS  91          HE3       LYS  91  18.460 -11.165   8.851
  691   1HZ   LYS  91          HZ1       LYS  91  16.142 -11.444   9.440
  692   2HZ   LYS  91          HZ2       LYS  91  15.943 -12.641   8.320
  693   3HZ   LYS  91          HZ3       LYS  91  16.918 -12.865   9.607
  694    HA   PRO  92           HA       PRO  92  19.420  -9.064   0.114
  695   1HB   PRO  92          HB2       PRO  92  19.060 -11.639  -0.809
  696   2HB   PRO  92          HB3       PRO  92  20.657 -10.943  -0.387
  697   1HG   PRO  92          HG2       PRO  92  18.874 -12.701   1.308
  698   2HG   PRO  92          HG3       PRO  92  20.639 -12.842   1.045
  699   1HD   PRO  92          HD2       PRO  92  19.609 -11.640   3.268
  700   2HD   PRO  92          HD3       PRO  92  21.097 -11.032   2.487
  701    H    LYS  93           H        LYS  93  17.753  -9.411  -1.495
  702    HA   LYS  93           HA       LYS  93  15.190  -8.732  -0.681
  703   1HB   LYS  93          HB2       LYS  93  16.311  -8.423  -2.899
  704   2HB   LYS  93          HB3       LYS  93  16.099 -10.136  -3.246
  705   1HG   LYS  93          HG2       LYS  93  13.726  -9.927  -3.354
  706   2HG   LYS  93          HG3       LYS  93  13.752  -8.329  -2.576
  707   1HD   LYS  93          HD2       LYS  93  13.357  -8.024  -4.906
  708   2HD   LYS  93          HD3       LYS  93  14.982  -7.419  -4.485
  709   1HE   LYS  93          HE2       LYS  93  16.025  -9.390  -5.466
  710   2HE   LYS  93          HE3       LYS  93  14.451 -10.153  -5.740
  711   1HZ   LYS  93          HZ1       LYS  93  15.279  -7.605  -7.019
  712   2HZ   LYS  93          HZ2       LYS  93  15.428  -9.080  -7.732
  713   3HZ   LYS  93          HZ3       LYS  93  13.950  -8.494  -7.371
  714    H    GLU  94           H        GLU  94  16.341 -11.929  -1.683
  715    HA   GLU  94           HA       GLU  94  13.882 -13.288  -1.330
  716   1HB   GLU  94          HB2       GLU  94  15.167 -15.357  -1.369
  717   2HB   GLU  94          HB3       GLU  94  15.671 -14.233  -2.629
  718   1HG   GLU  94          HG2       GLU  94  17.644 -13.584  -1.197
  719   2HG   GLU  94          HG3       GLU  94  17.169 -14.828  -0.041
  720    H    ALA  95           H        ALA  95  16.525 -12.716   1.047
  721    HA   ALA  95           HA       ALA  95  15.335 -14.312   3.103
  722   1HB   ALA  95          HB1       ALA  95  17.728 -13.718   3.148
  723   2HB   ALA  95          HB2       ALA  95  17.304 -11.995   3.350
  724   3HB   ALA  95          HB3       ALA  95  16.912 -13.165   4.620
  725    H    LEU  96           H        LEU  96  15.138 -10.864   2.236
  726    HA   LEU  96           HA       LEU  96  13.527 -10.011   4.407
  727   1HB   LEU  96          HB2       LEU  96  13.875  -9.081   1.556
  728   2HB   LEU  96          HB3       LEU  96  12.794  -8.244   2.672
  729    HG   LEU  96           HG       LEU  96  15.753  -8.663   3.257
  730   1HD1  LEU  96          HD11      LEU  96  16.046  -6.315   2.494
  731   2HD1  LEU  96          HD12      LEU  96  15.564  -7.408   1.200
  732   3HD1  LEU  96          HD13      LEU  96  14.362  -6.307   1.915
  733   1HD2  LEU  96          HD21      LEU  96  14.379  -8.156   5.242
  734   2HD2  LEU  96          HD22      LEU  96  15.406  -6.787   4.827
  735   3HD2  LEU  96          HD23      LEU  96  13.680  -6.743   4.416
  736    H    GLN  97           H        GLN  97  12.575 -11.252   1.159
  737    HA   GLN  97           HA       GLN  97   9.781 -11.116   1.652
  738   1HB   GLN  97          HB2       GLN  97  11.552 -12.768  -0.167
  739   2HB   GLN  97          HB3       GLN  97   9.875 -13.272   0.022
  740   1HG   GLN  97          HG2       GLN  97   8.993 -11.316  -0.880
  741   2HG   GLN  97          HG3       GLN  97  10.495 -10.400  -0.648
  742   1HE2  GLN  97          HE22      GLN  97  12.403 -11.124  -1.924
  743   2HE2  GLN  97          HE21      GLN  97  12.125 -11.724  -3.557
  744    H    GLU  98           H        GLU  98  12.141 -13.684   2.484
  745    HA   GLU  98           HA       GLU  98  10.128 -15.474   3.450
  746   1HB   GLU  98          HB2       GLU  98  13.108 -15.281   4.015
  747   2HB   GLU  98          HB3       GLU  98  12.073 -16.497   4.773
  748   1HG   GLU  98          HG2       GLU  98  11.350 -17.291   2.532
  749   2HG   GLU  98          HG3       GLU  98  12.452 -16.151   1.770
  750    H    LEU  99           H        LEU  99  12.009 -12.914   5.064
  751    HA   LEU  99           HA       LEU  99  11.117 -13.328   7.702
  752   1HB   LEU  99          HB2       LEU  99  13.092 -12.046   7.045
  753   2HB   LEU  99          HB3       LEU  99  12.101 -10.905   6.148
  754    HG   LEU  99           HG       LEU  99  11.038 -10.148   8.199
  755   1HD1  LEU  99          HD11      LEU  99  12.182 -10.760  10.402
  756   2HD1  LEU  99          HD12      LEU  99  11.248 -12.078   9.677
  757   3HD1  LEU  99          HD13      LEU  99  13.019 -12.061   9.532
  758   1HD2  LEU  99          HD21      LEU  99  12.978  -8.985   7.272
  759   2HD2  LEU  99          HD22      LEU  99  13.003  -8.895   9.042
  760   3HD2  LEU  99          HD23      LEU  99  14.078 -10.030   8.194
  761    H    VAL 100           H        VAL 100   9.685 -11.416   4.985
  762    HA   VAL 100           HA       VAL 100   7.425 -10.502   6.500
  763    HB   VAL 100           HB       VAL 100   7.813 -10.964   3.513
  764   1HG1  VAL 100          HG11      VAL 100   5.632  -9.412   4.964
  765   2HG1  VAL 100          HG12      VAL 100   5.949  -9.317   3.219
  766   3HG1  VAL 100          HG13      VAL 100   5.429 -10.842   3.932
  767   1HG2  VAL 100          HG21      VAL 100   9.345  -9.223   4.661
  768   2HG2  VAL 100          HG22      VAL 100   8.418  -8.730   3.260
  769   3HG2  VAL 100          HG23      VAL 100   7.879  -8.271   4.905
  770    H    ASN 101           H        ASN 101   8.030 -13.318   4.407
  771    HA   ASN 101           HA       ASN 101   5.440 -14.244   4.090
  772   1HB   ASN 101          HB2       ASN 101   7.452 -14.996   2.806
  773   2HB   ASN 101          HB3       ASN 101   7.952 -15.959   4.200
  774   1HD2  ASN 101          HD22      ASN 101   5.810 -15.746   1.456
  775   2HD2  ASN 101          HD21      ASN 101   5.034 -17.293   1.670
  776    H    LYS 102           H        LYS 102   7.742 -15.031   6.679
  777    HA   LYS 102           HA       LYS 102   6.150 -17.112   7.827
  778   1HB   LYS 102          HB2       LYS 102   7.648 -16.952   9.758
  779   2HB   LYS 102          HB3       LYS 102   8.502 -17.058   8.218
  780   1HG   LYS 102          HG2       LYS 102   8.943 -14.633   8.273
  781   2HG   LYS 102          HG3       LYS 102   8.081 -14.498   9.795
  782   1HD   LYS 102          HD2       LYS 102  10.596 -16.156   9.363
  783   2HD   LYS 102          HD3       LYS 102  10.570 -14.507  10.005
  784   1HE   LYS 102          HE2       LYS 102   9.169 -15.246  11.911
  785   2HE   LYS 102          HE3       LYS 102   9.195 -16.903  11.293
  786   1HZ   LYS 102          HZ1       LYS 102  11.563 -15.371  12.245
  787   2HZ   LYS 102          HZ2       LYS 102  10.848 -16.637  12.991
  788   3HZ   LYS 102          HZ3       LYS 102  11.626 -16.876  11.582
  789    H    HIS 103           H        HIS 103   5.421 -13.824   7.792
  790    HA   HIS 103           HA       HIS 103   3.532 -14.204  10.077
  791   1HB   HIS 103          HB2       HIS 103   5.028 -11.680   9.283
  792   2HB   HIS 103          HB3       HIS 103   3.748 -11.755  10.496
  793    HD1  HIS 103           HD1      HIS 103   4.347 -13.664  12.591
  794    HD2  HIS 103           HD2      HIS 103   7.437 -12.157  10.163
  795    HE1  HIS 103           HE1      HIS 103   6.526 -14.175  13.804
  796    H    LEU 104           H        LEU 104   3.596 -14.000   6.758
  797    HA   LEU 104           HA       LEU 104   1.413 -12.219   6.240
  798   1HB   LEU 104          HB2       LEU 104   2.437 -14.706   4.829
  799   2HB   LEU 104          HB3       LEU 104   1.041 -13.801   4.252
  800    HG   LEU 104           HG       LEU 104   3.861 -12.689   4.518
  801   1HD1  LEU 104          HD11      LEU 104   3.553 -14.364   2.694
  802   2HD1  LEU 104          HD12      LEU 104   2.223 -13.388   2.044
  803   3HD1  LEU 104          HD13      LEU 104   3.874 -12.738   2.071
  804   1HD2  LEU 104          HD21      LEU 104   1.314 -11.404   3.448
  805   2HD2  LEU 104          HD22      LEU 104   2.304 -10.847   4.816
  806   3HD2  LEU 104          HD23      LEU 104   2.949 -10.762   3.181
  Start of MODEL   16
    1   1H    MET   1          H1        MET   1  -0.263  -1.591   1.618
    2   2H    MET   1          H2        MET   1   1.161  -2.126   1.015
    3   3H    MET   1          H3        MET   1   1.154  -0.940   2.139
    4    HA   MET   1           HA       MET   1   0.081  -0.827  -0.578
    5   1HB   MET   1          HB2       MET   1  -0.419   1.500  -0.343
    6   2HB   MET   1          HB3       MET   1  -1.308   0.538   0.820
    7   1HG   MET   1          HG2       MET   1   0.304   1.281   2.607
    8   2HG   MET   1          HG3       MET   1   1.081   2.326   1.405
    9   1HE   MET   1          HE1       MET   1  -0.636   5.008   3.578
   10   2HE   MET   1          HE2       MET   1   0.181   3.525   4.115
   11   3HE   MET   1          HE3       MET   1   0.863   4.484   2.780
   12    H    ALA   2           H        ALA   2   2.650   0.928   1.415
   13    HA   ALA   2           HA       ALA   2   4.541   0.678  -0.786
   14   1HB   ALA   2          HB1       ALA   2   3.040   2.541  -1.525
   15   2HB   ALA   2          HB2       ALA   2   3.350   3.378   0.015
   16   3HB   ALA   2          HB3       ALA   2   4.666   3.116  -1.149
   17    H    ILE   3           H        ILE   3   6.438   2.400  -0.084
   18    HA   ILE   3           HA       ILE   3   7.145   1.915   2.712
   19    HB   ILE   3           HB       ILE   3   8.421   3.594   0.521
   20   1HG1  ILE   3          HG12      ILE   3   9.827   1.146   1.528
   21   2HG1  ILE   3          HG13      ILE   3   8.359   0.811   0.626
   22   1HG2  ILE   3          HG21      ILE   3   9.516   2.847   3.270
   23   2HG2  ILE   3          HG22      ILE   3  10.484   3.545   1.953
   24   3HG2  ILE   3          HG23      ILE   3   9.167   4.481   2.662
   25   1HD1  ILE   3          HD11      ILE   3   9.138   2.105  -1.271
   26   2HD1  ILE   3          HD12      ILE   3  10.631   2.550  -0.396
   27   3HD1  ILE   3          HD13      ILE   3  10.327   0.855  -0.826
   28    H    VAL   4           H        VAL   4   7.097   3.448   4.326
   29    HA   VAL   4           HA       VAL   4   5.773   6.066   3.905
   30    HB   VAL   4           HB       VAL   4   5.029   3.917   5.943
   31   1HG1  VAL   4          HG11      VAL   4   3.800   6.652   5.450
   32   2HG1  VAL   4          HG12      VAL   4   3.014   5.363   6.380
   33   3HG1  VAL   4          HG13      VAL   4   4.525   6.015   6.956
   34   1HG2  VAL   4          HG21      VAL   4   4.160   3.203   3.789
   35   2HG2  VAL   4          HG22      VAL   4   2.818   3.823   4.735
   36   3HG2  VAL   4          HG23      VAL   4   3.521   4.830   3.454
   37    H    LYS   5           H        LYS   5   6.015   7.340   6.004
   38    HA   LYS   5           HA       LYS   5   8.646   6.852   7.335
   39   1HB   LYS   5          HB2       LYS   5   8.507   8.866   5.742
   40   2HB   LYS   5          HB3       LYS   5   7.248   9.504   6.786
   41   1HG   LYS   5          HG2       LYS   5   9.280  10.626   7.322
   42   2HG   LYS   5          HG3       LYS   5   8.846   9.616   8.684
   43   1HD   LYS   5          HD2       LYS   5  11.269   9.563   8.248
   44   2HD   LYS   5          HD3       LYS   5  10.553   7.971   8.073
   45   1HE   LYS   5          HE2       LYS   5  12.147   8.296   6.291
   46   2HE   LYS   5          HE3       LYS   5  10.522   8.225   5.608
   47   1HZ   LYS   5          HZ1       LYS   5  12.046  10.735   6.100
   48   2HZ   LYS   5          HZ2       LYS   5  11.853  10.028   4.646
   49   3HZ   LYS   5          HZ3       LYS   5  10.566  10.653   5.415
   50    H    ALA   6           H        ALA   6   8.567   7.223   9.632
   51    HA   ALA   6           HA       ALA   6   6.043   8.128  10.843
   52   1HB   ALA   6          HB1       ALA   6   7.249   5.407  11.501
   53   2HB   ALA   6          HB2       ALA   6   5.870   6.171  12.324
   54   3HB   ALA   6          HB3       ALA   6   5.716   5.676  10.632
   55    H    THR   7           H        THR   7   6.289   8.254  13.237
   56    HA   THR   7           HA       THR   7   9.033   8.467  14.275
   57    HB   THR   7           HB       THR   7   8.311  10.553  15.504
   58    HG1  THR   7           HG1      THR   7   6.229  10.509  13.581
   59   1HG2  THR   7          HG21      THR   7   9.830  10.706  13.554
   60   2HG2  THR   7          HG22      THR   7   8.435  10.904  12.475
   61   3HG2  THR   7          HG23      THR   7   8.794  12.132  13.711
   62    H    ASP   8           H        ASP   8   8.754   8.767  16.768
   63    HA   ASP   8           HA       ASP   8   7.389   6.827  18.115
   64   1HB   ASP   8          HB2       ASP   8   8.942   8.182  19.296
   65   2HB   ASP   8          HB3       ASP   8   8.126   9.672  18.832
   66    H    GLN   9           H        GLN   9   6.001   9.911  16.998
   67    HA   GLN   9           HA       GLN   9   3.613   9.722  18.557
   68   1HB   GLN   9          HB2       GLN   9   4.404  11.395  16.155
   69   2HB   GLN   9          HB3       GLN   9   2.911  11.645  17.066
   70   1HG   GLN   9          HG2       GLN   9   5.697  11.788  18.319
   71   2HG   GLN   9          HG3       GLN   9   4.793  13.179  17.738
   72   1HE2  GLN   9          HE22      GLN   9   5.160  10.891  20.420
   73   2HE2  GLN   9          HE21      GLN   9   3.895  11.595  21.404
   74    H    SER  10           H        SER  10   4.478   8.562  15.335
   75    HA   SER  10           HA       SER  10   1.641   7.907  14.736
   76   1HB   SER  10          HB2       SER  10   2.499   8.110  12.366
   77   2HB   SER  10          HB3       SER  10   2.495   9.593  13.342
   78    HG   SER  10           HG       SER  10   4.413   9.447  12.245
   79    H    PHE  11           H        PHE  11   4.777   6.430  15.171
   80    HA   PHE  11           HA       PHE  11   4.772   4.362  13.390
   81   1HB   PHE  11          HB2       PHE  11   6.585   5.023  14.970
   82   2HB   PHE  11          HB3       PHE  11   5.713   4.255  16.288
   83    HD1  PHE  11           HD1      PHE  11   7.592   3.755  13.138
   84    HD2  PHE  11           HD2      PHE  11   5.778   1.805  16.533
   85    HE1  PHE  11           HE1      PHE  11   8.796   1.680  12.582
   86    HE2  PHE  11           HE2      PHE  11   6.984  -0.285  15.961
   87    HZ   PHE  11           HZ       PHE  11   8.491  -0.362  13.995
   88    H    SER  12           H        SER  12   3.210   4.237  16.649
   89    HA   SER  12           HA       SER  12   2.406   1.560  16.463
   90   1HB   SER  12          HB2       SER  12   0.996   3.769  18.007
   91   2HB   SER  12          HB3       SER  12   1.090   2.048  18.422
   92    HG   SER  12           HG       SER  12   2.572   3.325  19.626
   93    H    ALA  13           H        ALA  13   0.965   4.379  14.950
   94    HA   ALA  13           HA       ALA  13  -1.563   2.987  14.436
   95   1HB   ALA  13          HB1       ALA  13  -0.626   5.786  13.669
   96   2HB   ALA  13          HB2       ALA  13  -2.258   5.128  13.435
   97   3HB   ALA  13          HB3       ALA  13  -1.639   5.383  15.078
   98    H    GLU  14           H        GLU  14   1.460   3.916  12.829
   99    HA   GLU  14           HA       GLU  14   0.538   3.166  10.214
  100   1HB   GLU  14          HB2       GLU  14   3.338   3.472  11.383
  101   2HB   GLU  14          HB3       GLU  14   3.043   3.011   9.710
  102   1HG   GLU  14          HG2       GLU  14   2.221   5.620  11.031
  103   2HG   GLU  14          HG3       GLU  14   3.491   5.387   9.833
  104    H    THR  15           H        THR  15   1.939   1.364  12.947
  105    HA   THR  15           HA       THR  15   2.479  -0.922  11.292
  106    HB   THR  15           HB       THR  15   3.322  -1.841  13.495
  107    HG1  THR  15           HG1      THR  15   3.129   0.834  14.351
  108   1HG2  THR  15          HG21      THR  15   4.854  -0.873  11.889
  109   2HG2  THR  15          HG22      THR  15   4.424   0.779  12.364
  110   3HG2  THR  15          HG23      THR  15   5.289  -0.275  13.494
  111    H    SER  16           H        SER  16  -0.455   0.018  12.386
  112    HA   SER  16           HA       SER  16  -1.294  -2.688  13.152
  113   1HB   SER  16          HB2       SER  16  -3.246  -1.445  14.159
  114   2HB   SER  16          HB3       SER  16  -1.658  -1.075  14.850
  115    HG   SER  16           HG       SER  16  -2.909   0.798  14.443
  116    H    GLU  17           H        GLU  17  -0.812  -1.980  10.391
  117    HA   GLU  17           HA       GLU  17  -3.541  -2.415   9.280
  118   1HB   GLU  17          HB2       GLU  17  -1.420  -0.542   8.175
  119   2HB   GLU  17          HB3       GLU  17  -2.939  -0.981   7.370
  120   1HG   GLU  17          HG2       GLU  17  -4.160  -0.112   9.436
  121   2HG   GLU  17          HG3       GLU  17  -2.620   0.586   9.952
  122    H    GLY  18           H        GLY  18  -2.132  -4.581   9.920
  123   1HA   GLY  18          HA2       GLY  18  -2.109  -6.610   8.618
  124   2HA   GLY  18          HA3       GLY  18  -1.445  -5.719   7.245
  125    H    VAL  19           H        VAL  19   0.365  -7.166   7.142
  126    HA   VAL  19           HA       VAL  19   2.326  -7.198   9.335
  127    HB   VAL  19           HB       VAL  19   2.661  -7.994   6.403
  128   1HG1  VAL  19          HG11      VAL  19   4.838  -7.512   7.530
  129   2HG1  VAL  19          HG12      VAL  19   4.388  -8.594   8.859
  130   3HG1  VAL  19          HG13      VAL  19   4.653  -9.237   7.224
  131   1HG2  VAL  19          HG21      VAL  19   2.504 -10.336   7.232
  132   2HG2  VAL  19          HG22      VAL  19   2.086  -9.733   8.848
  133   3HG2  VAL  19          HG23      VAL  19   0.991  -9.464   7.474
  134    H    VAL  20           H        VAL  20   3.986  -5.715   9.495
  135    HA   VAL  20           HA       VAL  20   4.357  -3.690   7.380
  136    HB   VAL  20           HB       VAL  20   3.962  -3.095  10.349
  137   1HG1  VAL  20          HG11      VAL  20   5.551  -1.520   9.334
  138   2HG1  VAL  20          HG12      VAL  20   4.458  -1.258   7.962
  139   3HG1  VAL  20          HG13      VAL  20   4.008  -0.698   9.579
  140   1HG2  VAL  20          HG21      VAL  20   1.757  -3.518   9.474
  141   2HG2  VAL  20          HG22      VAL  20   1.911  -1.768   9.444
  142   3HG2  VAL  20          HG23      VAL  20   2.106  -2.679   7.954
  143    H    LEU  21           H        LEU  21   6.543  -3.147   7.190
  144    HA   LEU  21           HA       LEU  21   8.441  -4.570   9.014
  145   1HB   LEU  21          HB2       LEU  21   8.273  -5.765   6.905
  146   2HB   LEU  21          HB3       LEU  21   8.530  -4.264   5.997
  147    HG   LEU  21           HG       LEU  21  10.818  -4.087   7.071
  148   1HD1  LEU  21          HD11      LEU  21  10.550  -5.383   9.073
  149   2HD1  LEU  21          HD12      LEU  21  10.202  -6.850   8.095
  150   3HD1  LEU  21          HD13      LEU  21  11.802  -6.101   8.072
  151   1HD2  LEU  21          HD21      LEU  21  10.502  -5.034   4.799
  152   2HD2  LEU  21          HD22      LEU  21  11.847  -5.809   5.645
  153   3HD2  LEU  21          HD23      LEU  21  10.286  -6.650   5.507
  154    H    ALA  22           H        ALA  22   9.257  -3.009  10.228
  155    HA   ALA  22           HA       ALA  22   9.486  -0.275   9.197
  156   1HB   ALA  22          HB1       ALA  22  10.140   0.229  11.543
  157   2HB   ALA  22          HB2       ALA  22   8.541  -0.553  11.433
  158   3HB   ALA  22          HB3       ALA  22   9.966  -1.496  11.931
  159    H    ASP  23           H        ASP  23  11.474   0.802   9.227
  160    HA   ASP  23           HA       ASP  23  13.985  -0.808   9.270
  161   1HB   ASP  23          HB2       ASP  23  13.445  -0.593   6.952
  162   2HB   ASP  23          HB3       ASP  23  12.985   1.101   7.143
  163    H    PHE  24           H        PHE  24  14.668  -0.084  11.157
  164    HA   PHE  24           HA       PHE  24  14.589   2.720  12.013
  165   1HB   PHE  24          HB2       PHE  24  15.692   0.139  13.212
  166   2HB   PHE  24          HB3       PHE  24  15.990   1.721  13.894
  167    HD1  PHE  24           HD1      PHE  24  13.019  -0.326  12.696
  168    HD2  PHE  24           HD2      PHE  24  14.581   2.417  15.642
  169    HE1  PHE  24           HE1      PHE  24  10.829  -0.279  13.837
  170    HE2  PHE  24           HE2      PHE  24  12.376   2.464  16.751
  171    HZ   PHE  24           HZ       PHE  24  10.475   1.151  15.818
  172    H    TRP  25           H        TRP  25  15.986   4.085  11.164
  173    HA   TRP  25           HA       TRP  25  18.696   3.309  10.463
  174   1HB   TRP  25          HB2       TRP  25  18.408   3.133   8.265
  175   2HB   TRP  25          HB3       TRP  25  16.688   3.111   8.511
  176    HD1  TRP  25           HD1      TRP  25  19.365   5.013   6.813
  177    HE1  TRP  25           HE1      TRP  25  18.405   7.087   5.656
  178    HE3  TRP  25           HE3      TRP  25  14.846   5.254   9.165
  179    HZ2  TRP  25           HZ2      TRP  25  16.165   8.873   6.014
  180    HZ3  TRP  25           HZ3      TRP  25  13.367   7.242   8.847
  181    HH2  TRP  25           HH2      TRP  25  14.043   9.064   7.301
  182    H    ALA  26           H        ALA  26  19.595   5.578   9.260
  183    HA   ALA  26           HA       ALA  26  18.287   7.959  10.144
  184   1HB   ALA  26          HB1       ALA  26  19.506   7.512  12.243
  185   2HB   ALA  26          HB2       ALA  26  21.011   7.258  11.327
  186   3HB   ALA  26          HB3       ALA  26  20.250   8.870  11.392
  187    HA   PRO  27           HA       PRO  27  20.303   8.790   6.304
  188   1HB   PRO  27          HB2       PRO  27  20.631  11.668   7.064
  189   2HB   PRO  27          HB3       PRO  27  19.899  10.931   5.596
  190   1HG   PRO  27          HG2       PRO  27  18.344  11.952   7.622
  191   2HG   PRO  27          HG3       PRO  27  17.880  10.462   6.744
  192   1HD   PRO  27          HD2       PRO  27  19.189  10.708   9.457
  193   2HD   PRO  27          HD3       PRO  27  17.880   9.615   8.912
  194    H    TRP  28           H        TRP  28  22.099   9.612   9.227
  195    HA   TRP  28           HA       TRP  28  24.561  10.199   7.842
  196   1HB   TRP  28          HB2       TRP  28  25.655   9.946   9.956
  197   2HB   TRP  28          HB3       TRP  28  24.186  10.874  10.177
  198    HD1  TRP  28           HD1      TRP  28  22.418   9.946  11.835
  199    HE1  TRP  28           HE1      TRP  28  22.351   8.055  13.542
  200    HE3  TRP  28           HE3      TRP  28  26.571   7.354  10.322
  201    HZ2  TRP  28           HZ2      TRP  28  23.821   5.618  14.092
  202    HZ3  TRP  28           HZ3      TRP  28  27.187   5.230  11.432
  203    HH2  TRP  28           HH2      TRP  28  25.818   4.345  13.310
  204    H    CYS  29           H        CYS  29  22.783   7.291   8.389
  205    HA   CYS  29           HA       CYS  29  24.757   5.383   8.849
  206   1HB   CYS  29          HB2       CYS  29  22.232   5.190   9.037
  207   2HB   CYS  29          HB3       CYS  29  22.169   5.104   7.304
  208    H    GLY  30           H        GLY  30  25.966   4.033   7.516
  209   1HA   GLY  30          HA2       GLY  30  26.231   4.690   4.631
  210   2HA   GLY  30          HA3       GLY  30  27.322   3.702   5.606
  211    HA   PRO  31           HA       PRO  31  25.484   0.034   4.360
  212   1HB   PRO  31          HB2       PRO  31  24.551  -1.458   6.524
  213   2HB   PRO  31          HB3       PRO  31  26.262  -1.246   6.054
  214   1HG   PRO  31          HG2       PRO  31  24.712   0.245   8.171
  215   2HG   PRO  31          HG3       PRO  31  26.385  -0.382   8.243
  216   1HD   PRO  31          HD2       PRO  31  25.798   2.228   7.742
  217   2HD   PRO  31          HD3       PRO  31  27.204   1.429   6.972
  218    H    CYS  32           H        CYS  32  23.168   1.817   6.369
  219    HA   CYS  32           HA       CYS  32  20.779   0.548   5.592
  220   1HB   CYS  32          HB2       CYS  32  21.115   3.537   5.935
  221   2HB   CYS  32          HB3       CYS  32  19.663   2.576   6.144
  222    H    LYS  33           H        LYS  33  22.852   2.851   3.795
  223    HA   LYS  33           HA       LYS  33  20.912   3.459   1.776
  224   1HB   LYS  33          HB2       LYS  33  23.934   3.575   1.488
  225   2HB   LYS  33          HB3       LYS  33  22.737   4.506   0.597
  226   1HG   LYS  33          HG2       LYS  33  23.396   4.794   3.562
  227   2HG   LYS  33          HG3       LYS  33  23.944   5.847   2.269
  228   1HD   LYS  33          HD2       LYS  33  21.691   6.670   1.875
  229   2HD   LYS  33          HD3       LYS  33  20.997   5.463   2.961
  230   1HE   LYS  33          HE2       LYS  33  21.112   7.692   4.049
  231   2HE   LYS  33          HE3       LYS  33  22.056   6.454   4.905
  232   1HZ   LYS  33          HZ1       LYS  33  24.028   7.359   4.141
  233   2HZ   LYS  33          HZ2       LYS  33  23.309   8.361   3.024
  234   3HZ   LYS  33          HZ3       LYS  33  23.152   8.632   4.637
  235    H    MET  34           H        MET  34  23.098   0.725   2.291
  236    HA   MET  34           HA       MET  34  23.069  -0.190  -0.433
  237   1HB   MET  34          HB2       MET  34  23.537  -1.833   2.076
  238   2HB   MET  34          HB3       MET  34  23.997  -2.252   0.427
  239   1HG   MET  34          HG2       MET  34  25.530  -0.250   0.418
  240   2HG   MET  34          HG3       MET  34  25.150  -0.008   2.121
  241   1HE   MET  34          HE1       MET  34  25.356  -2.201   3.856
  242   2HE   MET  34          HE2       MET  34  25.072  -3.532   2.718
  243   3HE   MET  34          HE3       MET  34  26.589  -3.462   3.632
  244    H    ILE  35           H        ILE  35  21.169  -0.958   2.522
  245    HA   ILE  35           HA       ILE  35  19.626  -2.930   1.086
  246    HB   ILE  35           HB       ILE  35  20.233  -3.258   3.420
  247   1HG1  ILE  35          HG12      ILE  35  17.232  -3.218   2.960
  248   2HG1  ILE  35          HG13      ILE  35  18.348  -4.468   2.416
  249   1HG2  ILE  35          HG21      ILE  35  20.048  -0.983   4.250
  250   2HG2  ILE  35          HG22      ILE  35  18.274  -1.022   4.067
  251   3HG2  ILE  35          HG23      ILE  35  19.096  -2.072   5.243
  252   1HD1  ILE  35          HD11      ILE  35  17.217  -5.251   4.380
  253   2HD1  ILE  35          HD12      ILE  35  18.888  -4.911   4.854
  254   3HD1  ILE  35          HD13      ILE  35  17.586  -3.778   5.283
  255    H    ALA  36           H        ALA  36  19.221   0.538   1.658
  256    HA   ALA  36           HA       ALA  36  16.523   0.861   1.456
  257   1HB   ALA  36          HB1       ALA  36  18.042   2.709   1.781
  258   2HB   ALA  36          HB2       ALA  36  18.654   2.568   0.121
  259   3HB   ALA  36          HB3       ALA  36  16.971   3.049   0.411
  260    HA   PRO  37           HA       PRO  37  16.196   0.504  -3.282
  261   1HB   PRO  37          HB2       PRO  37  18.130  -0.830  -4.739
  262   2HB   PRO  37          HB3       PRO  37  18.090   0.942  -4.493
  263   1HG   PRO  37          HG2       PRO  37  19.665  -1.122  -2.926
  264   2HG   PRO  37          HG3       PRO  37  20.249   0.428  -3.614
  265   1HD   PRO  37          HD2       PRO  37  19.559   0.255  -1.017
  266   2HD   PRO  37          HD3       PRO  37  19.107   1.693  -1.968
  267    H    VAL  38           H        VAL  38  17.701  -2.057  -1.353
  268    HA   VAL  38           HA       VAL  38  16.366  -4.216  -2.706
  269    HB   VAL  38           HB       VAL  38  17.471  -4.245   0.128
  270   1HG1  VAL  38          HG11      VAL  38  17.182  -6.433  -1.969
  271   2HG1  VAL  38          HG12      VAL  38  17.813  -6.613  -0.309
  272   3HG1  VAL  38          HG13      VAL  38  16.115  -6.205  -0.562
  273   1HG2  VAL  38          HG21      VAL  38  18.963  -4.721  -2.495
  274   2HG2  VAL  38          HG22      VAL  38  19.295  -3.435  -1.316
  275   3HG2  VAL  38          HG23      VAL  38  19.576  -5.117  -0.876
  276    H    LEU  39           H        LEU  39  15.649  -2.113   0.152
  277    HA   LEU  39           HA       LEU  39  13.173  -3.371   0.789
  278   1HB   LEU  39          HB2       LEU  39  14.207  -0.554   1.257
  279   2HB   LEU  39          HB3       LEU  39  12.634  -1.088   1.831
  280    HG   LEU  39           HG       LEU  39  15.158  -2.607   2.517
  281   1HD1  LEU  39          HD11      LEU  39  15.237  -1.376   4.658
  282   2HD1  LEU  39          HD12      LEU  39  15.497  -0.308   3.272
  283   3HD1  LEU  39          HD13      LEU  39  13.922  -0.316   4.096
  284   1HD2  LEU  39          HD21      LEU  39  12.467  -2.417   3.946
  285   2HD2  LEU  39          HD22      LEU  39  12.993  -3.774   2.931
  286   3HD2  LEU  39          HD23      LEU  39  13.849  -3.418   4.434
  287    H    GLU  40           H        GLU  40  13.999  -0.728  -1.517
  288    HA   GLU  40           HA       GLU  40  11.308  -0.304  -2.349
  289   1HB   GLU  40          HB2       GLU  40  13.916   0.058  -3.865
  290   2HB   GLU  40          HB3       GLU  40  12.335   0.501  -4.512
  291   1HG   GLU  40          HG2       GLU  40  11.956   2.027  -2.605
  292   2HG   GLU  40          HG3       GLU  40  13.539   1.621  -1.946
  293    H    GLU  41           H        GLU  41  13.737  -2.650  -3.570
  294    HA   GLU  41           HA       GLU  41  12.066  -3.805  -5.563
  295   1HB   GLU  41          HB2       GLU  41  14.409  -4.829  -3.932
  296   2HB   GLU  41          HB3       GLU  41  13.548  -5.893  -5.031
  297   1HG   GLU  41          HG2       GLU  41  14.696  -3.239  -5.968
  298   2HG   GLU  41          HG3       GLU  41  15.659  -4.713  -5.897
  299    H    LEU  42           H        LEU  42  12.508  -4.591  -2.132
  300    HA   LEU  42           HA       LEU  42  10.760  -6.810  -2.000
  301   1HB   LEU  42          HB2       LEU  42  12.537  -6.112  -0.386
  302   2HB   LEU  42          HB3       LEU  42  11.530  -4.780   0.148
  303    HG   LEU  42           HG       LEU  42  11.688  -6.732   1.636
  304   1HD1  LEU  42          HD11      LEU  42   9.444  -6.806   2.380
  305   2HD1  LEU  42          HD12      LEU  42   9.826  -5.170   1.856
  306   3HD1  LEU  42          HD13      LEU  42   8.825  -6.223   0.825
  307   1HD2  LEU  42          HD21      LEU  42  10.432  -8.773   1.212
  308   2HD2  LEU  42          HD22      LEU  42   9.930  -8.173  -0.381
  309   3HD2  LEU  42          HD23      LEU  42  11.642  -8.529  -0.064
  310    H    ASP  43           H        ASP  43  10.168  -3.294  -1.503
  311    HA   ASP  43           HA       ASP  43   7.449  -3.435  -0.785
  312   1HB   ASP  43          HB2       ASP  43   8.887  -1.357  -0.727
  313   2HB   ASP  43          HB3       ASP  43   8.774  -1.285  -2.493
  314    H    GLN  44           H        GLN  44   9.013  -3.271  -3.980
  315    HA   GLN  44           HA       GLN  44   6.541  -3.155  -5.427
  316   1HB   GLN  44          HB2       GLN  44   9.403  -3.733  -6.248
  317   2HB   GLN  44          HB3       GLN  44   8.071  -3.626  -7.408
  318   1HG   GLN  44          HG2       GLN  44   7.595  -1.339  -6.827
  319   2HG   GLN  44          HG3       GLN  44   8.665  -1.375  -5.428
  320   1HE2  GLN  44          HE22      GLN  44  10.964  -1.533  -5.774
  321   2HE2  GLN  44          HE21      GLN  44  11.700  -0.978  -7.278
  322    H    GLU  45           H        GLU  45   7.998  -5.788  -3.817
  323    HA   GLU  45           HA       GLU  45   6.697  -7.828  -5.533
  324   1HB   GLU  45          HB2       GLU  45   8.836  -7.902  -3.379
  325   2HB   GLU  45          HB3       GLU  45   8.058  -9.365  -3.986
  326   1HG   GLU  45          HG2       GLU  45   9.521  -7.363  -5.752
  327   2HG   GLU  45          HG3       GLU  45  10.270  -8.798  -5.057
  328    H    MET  46           H        MET  46   6.681  -6.446  -2.246
  329    HA   MET  46           HA       MET  46   4.491  -8.344  -1.523
  330   1HB   MET  46          HB2       MET  46   6.476  -6.956   0.304
  331   2HB   MET  46          HB3       MET  46   5.322  -8.214   0.738
  332   1HG   MET  46          HG2       MET  46   7.756  -8.486  -1.076
  333   2HG   MET  46          HG3       MET  46   7.578  -9.167   0.529
  334   1HE   MET  46          HE1       MET  46   5.393 -12.268   0.046
  335   2HE   MET  46          HE2       MET  46   6.660 -11.490   1.014
  336   3HE   MET  46          HE3       MET  46   5.054 -10.706   0.835
  337    H    GLY  47           H        GLY  47   4.906  -5.028  -2.173
  338   1HA   GLY  47          HA2       GLY  47   3.707  -3.718  -0.076
  339   2HA   GLY  47          HA3       GLY  47   3.633  -3.204  -1.765
  340    H    ASP  48           H        ASP  48   2.031  -5.914  -2.149
  341    HA   ASP  48           HA       ASP  48  -0.619  -4.781  -1.941
  342   1HB   ASP  48          HB2       ASP  48  -0.036  -6.344  -3.736
  343   2HB   ASP  48          HB3       ASP  48   0.337  -7.601  -2.552
  344    H    LYS  49           H        LYS  49   1.420  -6.877   0.028
  345    HA   LYS  49           HA       LYS  49  -0.768  -7.289   2.029
  346   1HB   LYS  49          HB2       LYS  49   1.803  -8.886   1.553
  347   2HB   LYS  49          HB3       LYS  49   0.594  -9.213   2.791
  348   1HG   LYS  49          HG2       LYS  49   0.213  -9.455  -0.215
  349   2HG   LYS  49          HG3       LYS  49   0.358 -10.770   0.958
  350   1HD   LYS  49          HD2       LYS  49  -1.745  -9.865   2.088
  351   2HD   LYS  49          HD3       LYS  49  -1.944  -8.784   0.705
  352   1HE   LYS  49          HE2       LYS  49  -1.937 -11.832   0.665
  353   2HE   LYS  49          HE3       LYS  49  -3.333 -10.768   0.476
  354   1HZ   LYS  49          HZ1       LYS  49  -1.105 -11.095  -1.433
  355   2HZ   LYS  49          HZ2       LYS  49  -2.678 -11.451  -1.670
  356   3HZ   LYS  49          HZ3       LYS  49  -2.199  -9.882  -1.561
  357    H    LEU  50           H        LEU  50   2.353  -5.843   1.430
  358    HA   LEU  50           HA       LEU  50   2.865  -5.528   4.323
  359   1HB   LEU  50          HB2       LEU  50   4.418  -6.826   2.785
  360   2HB   LEU  50          HB3       LEU  50   4.692  -5.326   1.898
  361    HG   LEU  50           HG       LEU  50   5.679  -4.319   3.986
  362   1HD1  LEU  50          HD11      LEU  50   5.418  -7.171   5.037
  363   2HD1  LEU  50          HD12      LEU  50   6.339  -5.864   5.806
  364   3HD1  LEU  50          HD13      LEU  50   4.593  -5.742   5.686
  365   1HD2  LEU  50          HD21      LEU  50   6.922  -6.850   2.905
  366   2HD2  LEU  50          HD22      LEU  50   7.090  -5.201   2.267
  367   3HD2  LEU  50          HD23      LEU  50   7.775  -5.602   3.850
  368    H    LYS  51           H        LYS  51   3.810  -3.564   5.068
  369    HA   LYS  51           HA       LYS  51   3.804  -1.180   3.301
  370   1HB   LYS  51          HB2       LYS  51   1.820  -1.020   4.851
  371   2HB   LYS  51          HB3       LYS  51   2.889  -1.332   6.219
  372   1HG   LYS  51          HG2       LYS  51   4.185   0.796   5.498
  373   2HG   LYS  51          HG3       LYS  51   2.822   1.131   4.431
  374   1HD   LYS  51          HD2       LYS  51   2.691   0.748   7.461
  375   2HD   LYS  51          HD3       LYS  51   2.748   2.306   6.637
  376   1HE   LYS  51          HE2       LYS  51   0.600   1.797   5.494
  377   2HE   LYS  51          HE3       LYS  51   0.524   0.235   6.330
  378   1HZ   LYS  51          HZ1       LYS  51   0.452   1.409   8.418
  379   2HZ   LYS  51          HZ2       LYS  51   0.586   2.874   7.677
  380   3HZ   LYS  51          HZ3       LYS  51  -0.772   1.966   7.464
  381    H    ILE  52           H        ILE  52   5.780   0.001   3.683
  382    HA   ILE  52           HA       ILE  52   7.635  -1.300   5.624
  383    HB   ILE  52           HB       ILE  52   8.299   0.103   3.030
  384   1HG1  ILE  52          HG12      ILE  52   8.576  -2.807   3.902
  385   2HG1  ILE  52          HG13      ILE  52   7.457  -2.169   2.693
  386   1HG2  ILE  52          HG21      ILE  52   9.993   0.635   4.777
  387   2HG2  ILE  52          HG22      ILE  52  10.219  -1.106   5.071
  388   3HG2  ILE  52          HG23      ILE  52  10.665  -0.377   3.515
  389   1HD1  ILE  52          HD11      ILE  52  10.445  -2.504   2.458
  390   2HD1  ILE  52          HD12      ILE  52   9.150  -3.079   1.390
  391   3HD1  ILE  52          HD13      ILE  52   9.567  -1.360   1.421
  392    H    VAL  53           H        VAL  53   8.606   0.121   7.135
  393    HA   VAL  53           HA       VAL  53   7.621   2.957   7.043
  394    HB   VAL  53           HB       VAL  53   7.378   0.984   9.348
  395   1HG1  VAL  53          HG11      VAL  53   6.800   3.985   9.272
  396   2HG1  VAL  53          HG12      VAL  53   6.336   2.882  10.592
  397   3HG1  VAL  53          HG13      VAL  53   8.042   3.186  10.261
  398   1HG2  VAL  53          HG21      VAL  53   4.977   1.507   9.190
  399   2HG2  VAL  53          HG22      VAL  53   5.281   2.568   7.801
  400   3HG2  VAL  53          HG23      VAL  53   5.567   0.823   7.672
  401    H    LYS  54           H        LYS  54   9.533   4.005   6.624
  402    HA   LYS  54           HA       LYS  54  12.000   3.159   8.009
  403   1HB   LYS  54          HB2       LYS  54  11.482   5.642   6.316
  404   2HB   LYS  54          HB3       LYS  54  13.053   5.081   6.914
  405   1HG   LYS  54          HG2       LYS  54  12.657   2.903   5.664
  406   2HG   LYS  54          HG3       LYS  54  11.271   3.666   4.888
  407   1HD   LYS  54          HD2       LYS  54  14.155   4.648   4.740
  408   2HD   LYS  54          HD3       LYS  54  13.325   3.691   3.504
  409   1HE   LYS  54          HE2       LYS  54  11.639   5.518   3.237
  410   2HE   LYS  54          HE3       LYS  54  12.527   6.490   4.420
  411   1HZ   LYS  54          HZ1       LYS  54  14.433   6.464   2.913
  412   2HZ   LYS  54          HZ2       LYS  54  13.616   5.563   1.820
  413   3HZ   LYS  54          HZ3       LYS  54  13.130   7.079   2.154
  414    H    ILE  55           H        ILE  55  12.828   4.147   9.878
  415    HA   ILE  55           HA       ILE  55  11.487   6.568  10.880
  416    HB   ILE  55           HB       ILE  55  10.158   4.899  11.891
  417   1HG1  ILE  55          HG12      ILE  55  12.111   5.845  14.025
  418   2HG1  ILE  55          HG13      ILE  55  10.959   6.905  13.212
  419   1HG2  ILE  55          HG21      ILE  55  10.956   3.101  13.337
  420   2HG2  ILE  55          HG22      ILE  55  11.647   2.914  11.728
  421   3HG2  ILE  55          HG23      ILE  55  12.638   3.570  13.050
  422   1HD1  ILE  55          HD11      ILE  55  10.045   6.206  15.350
  423   2HD1  ILE  55          HD12      ILE  55   9.075   5.517  14.039
  424   3HD1  ILE  55          HD13      ILE  55  10.234   4.499  14.930
  425    H    ASP  56           H        ASP  56  12.866   7.978  11.618
  426    HA   ASP  56           HA       ASP  56  15.709   7.443  11.320
  427   1HB   ASP  56          HB2       ASP  56  14.770   9.436  10.348
  428   2HB   ASP  56          HB3       ASP  56  14.140   9.962  11.911
  429    H    VAL  57           H        VAL  57  16.650   6.422  13.076
  430    HA   VAL  57           HA       VAL  57  15.570   6.504  15.690
  431    HB   VAL  57           HB       VAL  57  17.567   5.348  16.418
  432   1HG1  VAL  57          HG11      VAL  57  16.745   4.319  13.672
  433   2HG1  VAL  57          HG12      VAL  57  17.352   3.381  15.054
  434   3HG1  VAL  57          HG13      VAL  57  15.767   4.178  15.142
  435   1HG2  VAL  57          HG21      VAL  57  18.762   5.827  13.656
  436   2HG2  VAL  57          HG22      VAL  57  19.345   6.539  15.173
  437   3HG2  VAL  57          HG23      VAL  57  19.431   4.792  14.928
  438    H    ASP  58           H        ASP  58  17.731   8.811  14.119
  439    HA   ASP  58           HA       ASP  58  18.977   9.780  16.533
  440   1HB   ASP  58          HB2       ASP  58  19.895  10.131  14.253
  441   2HB   ASP  58          HB3       ASP  58  18.530  11.192  13.881
  442    H    GLU  59           H        GLU  59  15.827  10.199  15.166
  443    HA   GLU  59           HA       GLU  59  15.188  12.460  17.020
  444   1HB   GLU  59          HB2       GLU  59  14.063  11.582  14.332
  445   2HB   GLU  59          HB3       GLU  59  13.212  12.717  15.371
  446   1HG   GLU  59          HG2       GLU  59  16.046  13.200  14.364
  447   2HG   GLU  59          HG3       GLU  59  14.597  13.749  13.536
  448    H    ASN  60           H        ASN  60  15.074   9.165  16.972
  449    HA   ASN  60           HA       ASN  60  12.443   8.980  18.347
  450   1HB   ASN  60          HB2       ASN  60  13.234   7.319  15.918
  451   2HB   ASN  60          HB3       ASN  60  11.865   6.987  16.972
  452   1HD2  ASN  60          HD22      ASN  60  12.993   8.991  14.357
  453   2HD2  ASN  60          HD21      ASN  60  11.502   9.891  14.140
  454    H    GLN  61           H        GLN  61  14.924   9.042  19.533
  455    HA   GLN  61           HA       GLN  61  16.210   6.578  19.962
  456   1HB   GLN  61          HB2       GLN  61  15.809   8.993  21.774
  457   2HB   GLN  61          HB3       GLN  61  16.852   7.639  22.197
  458   1HG   GLN  61          HG2       GLN  61  17.218   9.298  19.665
  459   2HG   GLN  61          HG3       GLN  61  18.033   9.629  21.189
  460   1HE2  GLN  61          HE22      GLN  61  18.009   7.612  18.344
  461   2HE2  GLN  61          HE21      GLN  61  19.414   6.640  18.764
  462    H    GLU  62           H        GLU  62  13.191   7.859  21.397
  463    HA   GLU  62           HA       GLU  62  12.973   5.913  23.458
  464   1HB   GLU  62          HB2       GLU  62  10.821   7.475  21.959
  465   2HB   GLU  62          HB3       GLU  62  10.539   6.538  23.427
  466   1HG   GLU  62          HG2       GLU  62  12.375   8.964  23.187
  467   2HG   GLU  62          HG3       GLU  62  10.762   8.953  23.883
  468    H    THR  63           H        THR  63  11.657   5.930  20.061
  469    HA   THR  63           HA       THR  63  10.364   3.415  20.349
  470    HB   THR  63           HB       THR  63  11.347   4.394  17.720
  471    HG1  THR  63           HG1      THR  63   9.370   5.741  19.246
  472   1HG2  THR  63          HG21      THR  63   8.591   3.468  18.607
  473   2HG2  THR  63          HG22      THR  63   9.074   3.884  16.944
  474   3HG2  THR  63          HG23      THR  63   9.805   2.495  17.752
  475    H    ALA  64           H        ALA  64  13.608   4.388  19.127
  476    HA   ALA  64           HA       ALA  64  14.519   1.788  18.406
  477   1HB   ALA  64          HB1       ALA  64  16.801   2.789  18.780
  478   2HB   ALA  64          HB2       ALA  64  15.748   3.859  17.836
  479   3HB   ALA  64          HB3       ALA  64  16.047   4.183  19.556
  480    H    GLY  65           H        GLY  65  14.692   3.506  21.567
  481   1HA   GLY  65          HA2       GLY  65  15.888   1.458  23.082
  482   2HA   GLY  65          HA3       GLY  65  14.816   2.733  23.693
  483    H    LYS  66           H        LYS  66  12.511   1.831  22.010
  484    HA   LYS  66           HA       LYS  66  11.210   0.160  23.811
  485   1HB   LYS  66          HB2       LYS  66  10.254   1.683  21.926
  486   2HB   LYS  66          HB3       LYS  66  10.573   0.346  20.843
  487   1HG   LYS  66          HG2       LYS  66   8.260   0.336  21.446
  488   2HG   LYS  66          HG3       LYS  66   9.030  -1.111  22.094
  489   1HD   LYS  66          HD2       LYS  66   9.086  -0.100  24.351
  490   2HD   LYS  66          HD3       LYS  66   8.429   1.419  23.699
  491   1HE   LYS  66          HE2       LYS  66   6.378   0.207  22.984
  492   2HE   LYS  66          HE3       LYS  66   7.040  -1.300  23.629
  493   1HZ   LYS  66          HZ1       LYS  66   5.514  -0.266  25.183
  494   2HZ   LYS  66          HZ2       LYS  66   7.005  -0.292  25.838
  495   3HZ   LYS  66          HZ3       LYS  66   6.394   1.103  25.241
  496    H    TYR  67           H        TYR  67  13.252  -0.738  21.051
  497    HA   TYR  67           HA       TYR  67  12.838  -3.614  21.772
  498   1HB   TYR  67          HB2       TYR  67  13.778  -2.778  19.058
  499   2HB   TYR  67          HB3       TYR  67  12.936  -4.237  19.544
  500    HD1  TYR  67           HD1      TYR  67  12.658  -0.779  18.415
  501    HD2  TYR  67           HD2      TYR  67  10.414  -4.114  19.988
  502    HE1  TYR  67           HE1      TYR  67  10.589   0.394  17.892
  503    HE2  TYR  67           HE2      TYR  67   8.298  -2.964  19.404
  504    HH   TYR  67           HH       TYR  67   7.329  -1.004  18.603
  505    H    GLY  68           H        GLY  68  14.947  -1.339  22.516
  506   1HA   GLY  68          HA2       GLY  68  17.170  -1.240  22.986
  507   2HA   GLY  68          HA3       GLY  68  17.206  -3.009  22.870
  508    H    VAL  69           H        VAL  69  16.350  -0.751  20.205
  509    HA   VAL  69           HA       VAL  69  18.316  -1.889  18.402
  510    HB   VAL  69           HB       VAL  69  16.675   0.672  18.196
  511   1HG1  VAL  69          HG11      VAL  69  18.557   0.731  16.641
  512   2HG1  VAL  69          HG12      VAL  69  18.171  -0.902  16.065
  513   3HG1  VAL  69          HG13      VAL  69  17.062   0.451  15.751
  514   1HG2  VAL  69          HG21      VAL  69  16.054  -2.124  17.175
  515   2HG2  VAL  69          HG22      VAL  69  15.146  -1.176  18.375
  516   3HG2  VAL  69          HG23      VAL  69  15.179  -0.648  16.699
  517    H    MET  70           H        MET  70  20.445  -1.443  18.530
  518    HA   MET  70           HA       MET  70  21.393   1.212  19.512
  519   1HB   MET  70          HB2       MET  70  22.427  -1.564  20.213
  520   2HB   MET  70          HB3       MET  70  23.287  -0.071  20.593
  521   1HG   MET  70          HG2       MET  70  20.518  -0.768  21.622
  522   2HG   MET  70          HG3       MET  70  22.020  -0.979  22.511
  523   1HE   MET  70          HE1       MET  70  20.114   1.951  24.349
  524   2HE   MET  70          HE2       MET  70  19.354   0.601  23.477
  525   3HE   MET  70          HE3       MET  70  20.778   0.309  24.504
  526    H    SER  71           H        SER  71  21.158  -0.629  16.836
  527    HA   SER  71           HA       SER  71  23.510   0.477  15.554
  528   1HB   SER  71          HB2       SER  71  22.803  -2.497  15.403
  529   2HB   SER  71          HB3       SER  71  24.098  -1.683  14.513
  530    HG   SER  71           HG       SER  71  24.862  -2.798  16.366
  531    H    ILE  72           H        ILE  72  23.151   0.311  13.129
  532    HA   ILE  72           HA       ILE  72  20.442  -0.322  12.268
  533    HB   ILE  72           HB       ILE  72  20.234   1.852  11.070
  534   1HG1  ILE  72          HG12      ILE  72  22.389   2.896  12.962
  535   2HG1  ILE  72          HG13      ILE  72  22.643   2.567  11.247
  536   1HG2  ILE  72          HG21      ILE  72  19.038   1.289  13.225
  537   2HG2  ILE  72          HG22      ILE  72  20.263   2.238  14.086
  538   3HG2  ILE  72          HG23      ILE  72  19.200   3.013  12.898
  539   1HD1  ILE  72          HD11      ILE  72  20.712   4.632  12.387
  540   2HD1  ILE  72          HD12      ILE  72  22.238   4.939  11.546
  541   3HD1  ILE  72          HD13      ILE  72  20.881   4.210  10.670
  542    HA   PRO  73           HA       PRO  73  19.464   0.208   9.874
  543   1HB   PRO  73          HB2       PRO  73  18.895  -1.687   7.993
  544   2HB   PRO  73          HB3       PRO  73  19.625  -0.109   7.591
  545   1HG   PRO  73          HG2       PRO  73  21.019  -2.774   7.972
  546   2HG   PRO  73          HG3       PRO  73  21.257  -1.585   6.656
  547   1HD   PRO  73          HD2       PRO  73  22.917  -1.711   8.824
  548   2HD   PRO  73          HD3       PRO  73  22.503  -0.156   8.048
  549    H    THR  74           H        THR  74  17.841  -0.744  11.032
  550    HA   THR  74           HA       THR  74  18.108  -3.626  11.753
  551    HB   THR  74           HB       THR  74  17.649  -1.290  13.644
  552    HG1  THR  74           HG1      THR  74  19.637  -1.692  14.135
  553   1HG2  THR  74          HG21      THR  74  17.259  -4.282  14.094
  554   2HG2  THR  74          HG22      THR  74  17.509  -3.119  15.412
  555   3HG2  THR  74          HG23      THR  74  16.097  -2.974  14.361
  556    H    LEU  75           H        LEU  75  16.228  -4.726  11.621
  557    HA   LEU  75           HA       LEU  75  13.949  -3.234  10.439
  558   1HB   LEU  75          HB2       LEU  75  15.357  -5.781   9.713
  559   2HB   LEU  75          HB3       LEU  75  13.603  -5.792   9.611
  560    HG   LEU  75           HG       LEU  75  13.568  -3.939   8.054
  561   1HD1  LEU  75          HD11      LEU  75  16.609  -3.881   8.299
  562   2HD1  LEU  75          HD12      LEU  75  15.666  -3.030   7.055
  563   3HD1  LEU  75          HD13      LEU  75  15.476  -2.586   8.748
  564   1HD2  LEU  75          HD21      LEU  75  13.903  -6.256   7.199
  565   2HD2  LEU  75          HD22      LEU  75  14.626  -5.037   6.140
  566   3HD2  LEU  75          HD23      LEU  75  15.657  -6.001   7.220
  567    H    LEU  76           H        LEU  76  11.989  -3.514  11.389
  568    HA   LEU  76           HA       LEU  76  11.726  -5.519  13.622
  569   1HB   LEU  76          HB2       LEU  76  10.913  -2.583  13.540
  570   2HB   LEU  76          HB3       LEU  76  10.068  -3.739  14.540
  571    HG   LEU  76           HG       LEU  76  11.693  -2.341  15.777
  572   1HD1  LEU  76          HD11      LEU  76  12.757  -4.231  17.029
  573   2HD1  LEU  76          HD12      LEU  76  11.023  -4.422  16.752
  574   3HD1  LEU  76          HD13      LEU  76  12.183  -5.349  15.781
  575   1HD2  LEU  76          HD21      LEU  76  14.023  -2.552  15.594
  576   2HD2  LEU  76          HD22      LEU  76  13.918  -3.953  14.516
  577   3HD2  LEU  76          HD23      LEU  76  13.458  -2.349  13.924
  578    H    VAL  77           H        VAL  77   9.969  -6.800  13.220
  579    HA   VAL  77           HA       VAL  77   8.265  -5.975  10.919
  580    HB   VAL  77           HB       VAL  77   8.476  -8.811  11.828
  581   1HG1  VAL  77          HG11      VAL  77   6.894  -8.133  10.051
  582   2HG1  VAL  77          HG12      VAL  77   8.218  -7.416   9.110
  583   3HG1  VAL  77          HG13      VAL  77   8.152  -9.174   9.361
  584   1HG2  VAL  77          HG21      VAL  77  10.850  -8.395  11.690
  585   2HG2  VAL  77          HG22      VAL  77  10.367  -9.210  10.205
  586   3HG2  VAL  77          HG23      VAL  77  10.670  -7.459  10.202
  587    H    LEU  78           H        LEU  78   6.169  -5.687  11.400
  588    HA   LEU  78           HA       LEU  78   5.217  -6.490  14.090
  589   1HB   LEU  78          HB2       LEU  78   4.727  -3.810  12.709
  590   2HB   LEU  78          HB3       LEU  78   4.016  -4.358  14.219
  591    HG   LEU  78           HG       LEU  78   6.685  -4.668  14.810
  592   1HD1  LEU  78          HD11      LEU  78   6.593  -2.181  13.076
  593   2HD1  LEU  78          HD12      LEU  78   7.950  -2.753  14.069
  594   3HD1  LEU  78          HD13      LEU  78   7.423  -3.684  12.663
  595   1HD2  LEU  78          HD21      LEU  78   5.010  -3.523  16.210
  596   2HD2  LEU  78          HD22      LEU  78   6.543  -2.653  16.128
  597   3HD2  LEU  78          HD23      LEU  78   5.144  -2.081  15.184
  598    H    LYS  79           H        LYS  79   2.964  -6.890  14.163
  599    HA   LYS  79           HA       LYS  79   1.556  -6.904  11.559
  600   1HB   LYS  79          HB2       LYS  79   2.517  -9.186  11.865
  601   2HB   LYS  79          HB3       LYS  79   1.631  -9.325  13.401
  602   1HG   LYS  79          HG2       LYS  79  -0.501  -9.085  12.242
  603   2HG   LYS  79          HG3       LYS  79   0.339  -8.798  10.700
  604   1HD   LYS  79          HD2       LYS  79   1.282 -11.090  10.809
  605   2HD   LYS  79          HD3       LYS  79   0.403 -11.379  12.326
  606   1HE   LYS  79          HE2       LYS  79  -1.749 -11.023  11.179
  607   2HE   LYS  79          HE3       LYS  79  -0.911 -10.591   9.682
  608   1HZ   LYS  79          HZ1       LYS  79  -0.821 -13.260  10.960
  609   2HZ   LYS  79          HZ2       LYS  79  -1.665 -12.869   9.618
  610   3HZ   LYS  79          HZ3       LYS  79  -0.029 -12.830   9.582
  611    H    ASP  80           H        ASP  80  -0.263  -5.863  11.835
  612    HA   ASP  80           HA       ASP  80  -2.073  -4.884  12.749
  613   1HB   ASP  80          HB2       ASP  80  -2.761  -7.242  12.553
  614   2HB   ASP  80          HB3       ASP  80  -2.283  -7.526  14.226
  615    H    GLY  81           H        GLY  81   0.379  -4.198  14.063
  616   1HA   GLY  81          HA2       GLY  81   0.598  -2.454  15.560
  617   2HA   GLY  81          HA3       GLY  81  -0.827  -2.981  16.453
  618    H    GLU  82           H        GLU  82   1.242  -5.722  16.061
  619    HA   GLU  82           HA       GLU  82   2.742  -5.047  18.549
  620   1HB   GLU  82          HB2       GLU  82   2.379  -7.126  19.451
  621   2HB   GLU  82          HB3       GLU  82   0.807  -6.721  18.761
  622   1HG   GLU  82          HG2       GLU  82   1.369  -8.191  16.783
  623   2HG   GLU  82          HG3       GLU  82   2.873  -8.642  17.573
  624    H    VAL  83           H        VAL  83   4.931  -5.727  18.593
  625    HA   VAL  83           HA       VAL  83   6.190  -6.276  16.010
  626    HB   VAL  83           HB       VAL  83   7.265  -4.856  17.682
  627   1HG1  VAL  83          HG11      VAL  83   8.333  -5.732  19.677
  628   2HG1  VAL  83          HG12      VAL  83   6.586  -5.978  19.783
  629   3HG1  VAL  83          HG13      VAL  83   7.656  -7.344  19.388
  630   1HG2  VAL  83          HG21      VAL  83   8.620  -5.934  15.993
  631   2HG2  VAL  83          HG22      VAL  83   9.507  -5.867  17.527
  632   3HG2  VAL  83          HG23      VAL  83   8.790  -7.395  16.995
  633    H    VAL  84           H        VAL  84   6.511  -8.103  15.109
  634    HA   VAL  84           HA       VAL  84   6.038 -10.597  16.656
  635    HB   VAL  84           HB       VAL  84   5.278 -11.576  14.552
  636   1HG1  VAL  84          HG11      VAL  84   3.656  -9.101  15.216
  637   2HG1  VAL  84          HG12      VAL  84   3.089 -10.626  14.511
  638   3HG1  VAL  84          HG13      VAL  84   3.676 -10.597  16.178
  639   1HG2  VAL  84          HG21      VAL  84   6.431 -10.040  12.926
  640   2HG2  VAL  84          HG22      VAL  84   4.697 -10.216  12.604
  641   3HG2  VAL  84          HG23      VAL  84   5.298  -8.754  13.387
  642    H    GLU  85           H        GLU  85   8.447  -8.815  14.688
  643    HA   GLU  85           HA       GLU  85  10.337 -10.907  15.460
  644   1HB   GLU  85          HB2       GLU  85   9.313 -11.891  13.444
  645   2HB   GLU  85          HB3       GLU  85   9.705 -10.459  12.514
  646   1HG   GLU  85          HG2       GLU  85  11.135 -12.310  11.977
  647   2HG   GLU  85          HG3       GLU  85  12.086 -11.002  12.650
  648    H    THR  86           H        THR  86  12.612 -10.341  14.718
  649    HA   THR  86           HA       THR  86  13.049  -7.482  14.073
  650    HB   THR  86           HB       THR  86  14.541  -8.979  16.266
  651    HG1  THR  86           HG1      THR  86  12.406  -8.587  16.904
  652   1HG2  THR  86          HG21      THR  86  15.261  -6.664  16.942
  653   2HG2  THR  86          HG22      THR  86  15.883  -7.165  15.368
  654   3HG2  THR  86          HG23      THR  86  14.513  -6.040  15.454
  655    H    SER  87           H        SER  87  15.065  -7.175  12.917
  656    HA   SER  87           HA       SER  87  16.945  -9.386  12.574
  657   1HB   SER  87          HB2       SER  87  15.401  -8.155  10.242
  658   2HB   SER  87          HB3       SER  87  16.874  -9.129  10.060
  659    HG   SER  87           HG       SER  87  14.943 -10.258  11.664
  660    H    VAL  88           H        VAL  88  19.009  -8.519  11.613
  661    HA   VAL  88           HA       VAL  88  19.250  -5.556  11.769
  662    HB   VAL  88           HB       VAL  88  21.097  -7.552  13.120
  663   1HG1  VAL  88          HG11      VAL  88  22.308  -5.532  12.456
  664   2HG1  VAL  88          HG12      VAL  88  21.047  -4.503  13.172
  665   3HG1  VAL  88          HG13      VAL  88  22.076  -5.519  14.202
  666   1HG2  VAL  88          HG21      VAL  88  19.059  -5.687  14.399
  667   2HG2  VAL  88          HG22      VAL  88  19.007  -7.463  14.413
  668   3HG2  VAL  88          HG23      VAL  88  20.287  -6.618  15.276
  669    H    GLY  89           H        GLY  89  20.820  -4.696  10.379
  670   1HA   GLY  89          HA2       GLY  89  22.632  -4.665   8.964
  671   2HA   GLY  89          HA3       GLY  89  22.787  -6.418   9.086
  672    H    PHE  90           H        PHE  90  23.257  -5.610   6.689
  673    HA   PHE  90           HA       PHE  90  21.047  -5.220   4.905
  674   1HB   PHE  90          HB2       PHE  90  23.373  -4.656   4.318
  675   2HB   PHE  90          HB3       PHE  90  23.849  -6.343   4.471
  676    HD1  PHE  90           HD1      PHE  90  22.260  -3.839   2.318
  677    HD2  PHE  90           HD2      PHE  90  23.095  -8.045   2.786
  678    HE1  PHE  90           HE1      PHE  90  21.722  -4.219  -0.077
  679    HE2  PHE  90           HE2      PHE  90  22.519  -8.423   0.404
  680    HZ   PHE  90           HZ       PHE  90  21.836  -6.509  -1.032
  681    H    LYS  91           H        LYS  91  19.738  -6.663   3.893
  682    HA   LYS  91           HA       LYS  91  20.214  -9.573   4.065
  683   1HB   LYS  91          HB2       LYS  91  17.939  -8.014   5.252
  684   2HB   LYS  91          HB3       LYS  91  17.452  -9.329   4.203
  685   1HG   LYS  91          HG2       LYS  91  17.469  -9.972   6.538
  686   2HG   LYS  91          HG3       LYS  91  18.528 -10.979   5.543
  687   1HD   LYS  91          HD2       LYS  91  20.493  -9.969   6.441
  688   2HD   LYS  91          HD3       LYS  91  19.559  -8.685   7.257
  689   1HE   LYS  91          HE2       LYS  91  18.536 -10.384   8.725
  690   2HE   LYS  91          HE3       LYS  91  19.380 -11.673   7.858
  691   1HZ   LYS  91          HZ1       LYS  91  20.716  -9.521   9.410
  692   2HZ   LYS  91          HZ2       LYS  91  20.533 -11.076   9.896
  693   3HZ   LYS  91          HZ3       LYS  91  21.479 -10.737   8.616
  694    HA   PRO  92           HA       PRO  92  19.157  -8.657  -0.232
  695   1HB   PRO  92          HB2       PRO  92  18.924 -11.192  -1.256
  696   2HB   PRO  92          HB3       PRO  92  20.495 -10.456  -0.819
  697   1HG   PRO  92          HG2       PRO  92  18.800 -12.346   0.838
  698   2HG   PRO  92          HG3       PRO  92  20.558 -12.444   0.501
  699   1HD   PRO  92          HD2       PRO  92  19.585 -11.355   2.808
  700   2HD   PRO  92          HD3       PRO  92  21.040 -10.693   2.005
  701    H    LYS  93           H        LYS  93  17.298  -8.885  -1.685
  702    HA   LYS  93           HA       LYS  93  14.842  -8.611  -0.359
  703   1HB   LYS  93          HB2       LYS  93  13.823  -8.603  -2.612
  704   2HB   LYS  93          HB3       LYS  93  15.202  -7.531  -2.440
  705   1HG   LYS  93          HG2       LYS  93  16.594  -9.458  -3.545
  706   2HG   LYS  93          HG3       LYS  93  15.017 -10.141  -3.983
  707   1HD   LYS  93          HD2       LYS  93  14.452  -7.971  -5.109
  708   2HD   LYS  93          HD3       LYS  93  16.066  -7.355  -4.669
  709   1HE   LYS  93          HE2       LYS  93  17.026  -9.358  -5.954
  710   2HE   LYS  93          HE3       LYS  93  15.382  -9.685  -6.520
  711   1HZ   LYS  93          HZ1       LYS  93  15.412  -7.362  -7.457
  712   2HZ   LYS  93          HZ2       LYS  93  17.001  -7.274  -7.078
  713   3HZ   LYS  93          HZ3       LYS  93  16.490  -8.386  -8.151
  714    H    GLU  94           H        GLU  94  16.228 -11.543  -1.730
  715    HA   GLU  94           HA       GLU  94  13.863 -13.129  -1.577
  716   1HB   GLU  94          HB2       GLU  94  15.904 -13.748  -2.831
  717   2HB   GLU  94          HB3       GLU  94  16.785 -13.963  -1.310
  718   1HG   GLU  94          HG2       GLU  94  15.243 -15.787  -0.662
  719   2HG   GLU  94          HG3       GLU  94  14.282 -15.515  -2.118
  720    H    ALA  95           H        ALA  95  16.529 -12.551   0.812
  721    HA   ALA  95           HA       ALA  95  15.409 -14.211   2.844
  722   1HB   ALA  95          HB1       ALA  95  16.975 -13.054   4.348
  723   2HB   ALA  95          HB2       ALA  95  17.787 -13.519   2.842
  724   3HB   ALA  95          HB3       ALA  95  17.290 -11.825   3.110
  725    H    LEU  96           H        LEU  96  15.067 -10.749   2.042
  726    HA   LEU  96           HA       LEU  96  13.438 -10.090   4.282
  727   1HB   LEU  96          HB2       LEU  96  13.485  -8.879   1.507
  728   2HB   LEU  96          HB3       LEU  96  12.628  -8.213   2.901
  729    HG   LEU  96           HG       LEU  96  15.651  -8.490   2.688
  730   1HD1  LEU  96          HD11      LEU  96  15.658  -6.061   2.530
  731   2HD1  LEU  96          HD12      LEU  96  14.646  -6.725   1.241
  732   3HD1  LEU  96          HD13      LEU  96  13.886  -6.008   2.676
  733   1HD2  LEU  96          HD21      LEU  96  15.001  -8.720   5.024
  734   2HD2  LEU  96          HD22      LEU  96  15.656  -7.104   4.771
  735   3HD2  LEU  96          HD23      LEU  96  13.898  -7.332   4.892
  736    H    GLN  97           H        GLN  97  12.529 -11.298   1.016
  737    HA   GLN  97           HA       GLN  97   9.725 -11.213   1.490
  738   1HB   GLN  97          HB2       GLN  97  11.550 -12.817  -0.328
  739   2HB   GLN  97          HB3       GLN  97   9.886 -13.369  -0.135
  740   1HG   GLN  97          HG2       GLN  97   8.961 -11.400  -0.978
  741   2HG   GLN  97          HG3       GLN  97  10.471 -10.491  -0.806
  742   1HE2  GLN  97          HE22      GLN  97  12.267 -10.968  -2.190
  743   2HE2  GLN  97          HE21      GLN  97  11.988 -11.615  -3.806
  744    H    GLU  98           H        GLU  98  12.180 -13.668   2.328
  745    HA   GLU  98           HA       GLU  98  10.253 -15.535   3.333
  746   1HB   GLU  98          HB2       GLU  98  13.219 -15.215   3.937
  747   2HB   GLU  98          HB3       GLU  98  12.215 -16.488   4.637
  748   1HG   GLU  98          HG2       GLU  98  11.599 -17.255   2.348
  749   2HG   GLU  98          HG3       GLU  98  12.698 -16.063   1.659
  750    H    LEU  99           H        LEU  99  12.042 -12.858   4.896
  751    HA   LEU  99           HA       LEU  99  11.181 -13.284   7.535
  752   1HB   LEU  99          HB2       LEU  99  13.058 -11.844   6.839
  753   2HB   LEU  99          HB3       LEU  99  11.948 -10.775   5.988
  754    HG   LEU  99           HG       LEU  99  10.842 -10.203   8.097
  755   1HD1  LEU  99          HD11      LEU  99  11.323 -12.142   9.488
  756   2HD1  LEU  99          HD12      LEU  99  13.076 -11.905   9.298
  757   3HD1  LEU  99          HD13      LEU  99  12.118 -10.748  10.236
  758   1HD2  LEU  99          HD21      LEU  99  12.667  -8.743   8.920
  759   2HD2  LEU  99          HD22      LEU  99  13.847  -9.719   8.014
  760   3HD2  LEU  99          HD23      LEU  99  12.605  -8.784   7.150
  761    H    VAL 100           H        VAL 100   9.700 -11.334   4.867
  762    HA   VAL 100           HA       VAL 100   7.411 -10.465   6.315
  763    HB   VAL 100           HB       VAL 100   7.870 -11.039   3.357
  764   1HG1  VAL 100          HG11      VAL 100   5.571  -9.537   4.665
  765   2HG1  VAL 100          HG12      VAL 100   5.963  -9.477   2.930
  766   3HG1  VAL 100          HG13      VAL 100   5.474 -11.003   3.671
  767   1HG2  VAL 100          HG21      VAL 100   9.292  -9.202   4.485
  768   2HG2  VAL 100          HG22      VAL 100   8.374  -8.785   3.046
  769   3HG2  VAL 100          HG23      VAL 100   7.787  -8.308   4.673
  770    H    ASN 101           H        ASN 101   8.055 -13.358   4.352
  771    HA   ASN 101           HA       ASN 101   5.459 -14.413   4.309
  772   1HB   ASN 101          HB2       ASN 101   7.386 -14.981   2.818
  773   2HB   ASN 101          HB3       ASN 101   8.063 -15.969   4.123
  774   1HD2  ASN 101          HD22      ASN 101   5.857 -15.825   1.493
  775   2HD2  ASN 101          HD21      ASN 101   5.123 -17.394   1.707
  776    H    LYS 102           H        LYS 102   7.899 -14.640   6.865
  777    HA   LYS 102           HA       LYS 102   6.828 -16.781   8.377
  778   1HB   LYS 102          HB2       LYS 102   8.036 -14.172   9.395
  779   2HB   LYS 102          HB3       LYS 102   7.715 -15.596  10.375
  780   1HG   LYS 102          HG2       LYS 102   9.308 -16.886   8.845
  781   2HG   LYS 102          HG3       LYS 102   9.726 -15.326   8.125
  782   1HD   LYS 102          HD2       LYS 102  11.399 -15.816   9.734
  783   2HD   LYS 102          HD3       LYS 102  10.421 -14.492  10.389
  784   1HE   LYS 102          HE2       LYS 102   9.214 -16.063  11.850
  785   2HE   LYS 102          HE3       LYS 102  10.019 -17.439  11.086
  786   1HZ   LYS 102          HZ1       LYS 102  11.057 -16.921  13.168
  787   2HZ   LYS 102          HZ2       LYS 102  12.125 -16.596  11.985
  788   3HZ   LYS 102          HZ3       LYS 102  11.351 -15.371  12.761
  789    H    HIS 103           H        HIS 103   5.448 -13.587   7.808
  790    HA   HIS 103           HA       HIS 103   3.498 -14.023  10.030
  791   1HB   HIS 103          HB2       HIS 103   4.565 -11.407   8.924
  792   2HB   HIS 103          HB3       HIS 103   3.526 -11.619  10.334
  793    HD1  HIS 103           HD1      HIS 103   4.850 -13.386  12.296
  794    HD2  HIS 103           HD2      HIS 103   7.098 -11.257   9.445
  795    HE1  HIS 103           HE1      HIS 103   7.252 -13.362  13.142
  796    H    LEU 104           H        LEU 104   3.653 -13.863   6.625
  797    HA   LEU 104           HA       LEU 104   1.177 -12.557   6.054
  798   1HB   LEU 104          HB2       LEU 104   2.576 -14.856   4.627
  799   2HB   LEU 104          HB3       LEU 104   1.153 -14.027   4.016
  800    HG   LEU 104           HG       LEU 104   3.877 -12.749   4.475
  801   1HD1  LEU 104          HD11      LEU 104   3.762 -14.323   2.557
  802   2HD1  LEU 104          HD12      LEU 104   2.390 -13.407   1.900
  803   3HD1  LEU 104          HD13      LEU 104   3.989 -12.647   2.038
  804   1HD2  LEU 104          HD21      LEU 104   2.184 -11.036   4.821
  805   2HD2  LEU 104          HD22      LEU 104   2.906 -10.797   3.233
  806   3HD2  LEU 104          HD23      LEU 104   1.302 -11.554   3.366
  Start of MODEL   17
    1   1H    MET   1          H1        MET   1  -0.547  -0.147  -1.143
    2   2H    MET   1          H2        MET   1  -0.045  -1.651  -0.739
    3   3H    MET   1          H3        MET   1  -1.321  -0.966   0.053
    4    HA   MET   1           HA       MET   1   0.103   0.710   0.999
    5   1HB   MET   1          HB2       MET   1   0.972  -2.173   1.424
    6   2HB   MET   1          HB3       MET   1   1.642  -0.836   2.360
    7   1HG   MET   1          HG2       MET   1  -1.288  -1.627   2.248
    8   2HG   MET   1          HG3       MET   1  -0.154  -1.959   3.553
    9   1HE   MET   1          HE1       MET   1  -2.559   0.611   5.214
   10   2HE   MET   1          HE2       MET   1  -2.989  -0.638   4.025
   11   3HE   MET   1          HE3       MET   1  -1.811  -1.001   5.307
   12    H    ALA   2           H        ALA   2   2.560   1.108   1.567
   13    HA   ALA   2           HA       ALA   2   4.355   0.795  -0.723
   14   1HB   ALA   2          HB1       ALA   2   3.307   3.526   0.156
   15   2HB   ALA   2          HB2       ALA   2   4.556   3.224  -1.072
   16   3HB   ALA   2          HB3       ALA   2   2.892   2.710  -1.370
   17    H    ILE   3           H        ILE   3   6.363   2.446  -0.081
   18    HA   ILE   3           HA       ILE   3   7.139   1.896   2.693
   19    HB   ILE   3           HB       ILE   3   8.401   3.586   0.502
   20   1HG1  ILE   3          HG12      ILE   3   9.793   1.117   1.478
   21   2HG1  ILE   3          HG13      ILE   3   8.299   0.803   0.612
   22   1HG2  ILE   3          HG21      ILE   3  10.490   3.532   1.899
   23   2HG2  ILE   3          HG22      ILE   3   9.189   4.454   2.647
   24   3HG2  ILE   3          HG23      ILE   3   9.551   2.814   3.224
   25   1HD1  ILE   3          HD11      ILE   3  10.227   0.832  -0.889
   26   2HD1  ILE   3          HD12      ILE   3   9.042   2.096  -1.301
   27   3HD1  ILE   3          HD13      ILE   3  10.563   2.522  -0.464
   28    H    VAL   4           H        VAL   4   7.073   3.395   4.326
   29    HA   VAL   4           HA       VAL   4   5.837   6.059   3.886
   30    HB   VAL   4           HB       VAL   4   5.092   4.017   6.027
   31   1HG1  VAL   4          HG11      VAL   4   4.680   6.204   6.925
   32   2HG1  VAL   4          HG12      VAL   4   3.902   6.748   5.411
   33   3HG1  VAL   4          HG13      VAL   4   3.138   5.536   6.458
   34   1HG2  VAL   4          HG21      VAL   4   3.542   4.838   3.532
   35   2HG2  VAL   4          HG22      VAL   4   4.154   3.216   3.931
   36   3HG2  VAL   4          HG23      VAL   4   2.850   3.913   4.879
   37    H    LYS   5           H        LYS   5   6.224   7.389   5.917
   38    HA   LYS   5           HA       LYS   5   8.812   6.720   7.236
   39   1HB   LYS   5          HB2       LYS   5   8.876   8.589   5.491
   40   2HB   LYS   5          HB3       LYS   5   7.876   9.529   6.590
   41   1HG   LYS   5          HG2       LYS   5   9.567   9.904   8.080
   42   2HG   LYS   5          HG3       LYS   5  10.273   8.297   7.892
   43   1HD   LYS   5          HD2       LYS   5  10.513  10.488   5.798
   44   2HD   LYS   5          HD3       LYS   5  11.734  10.171   7.046
   45   1HE   LYS   5          HE2       LYS   5  12.195   7.972   6.220
   46   2HE   LYS   5          HE3       LYS   5  10.745   7.937   5.233
   47   1HZ   LYS   5          HZ1       LYS   5  12.729   8.360   3.883
   48   2HZ   LYS   5          HZ2       LYS   5  11.737   9.644   3.804
   49   3HZ   LYS   5          HZ3       LYS   5  13.082   9.713   4.723
   50    H    ALA   6           H        ALA   6   8.741   7.207   9.519
   51    HA   ALA   6           HA       ALA   6   6.218   8.307  10.628
   52   1HB   ALA   6          HB1       ALA   6   7.310   5.546  11.327
   53   2HB   ALA   6          HB2       ALA   6   5.943   6.352  12.123
   54   3HB   ALA   6          HB3       ALA   6   5.808   5.875  10.425
   55    H    THR   7           H        THR   7   6.334   8.555  12.969
   56    HA   THR   7           HA       THR   7   9.006   8.674  14.186
   57    HB   THR   7           HB       THR   7   8.137  10.772  15.368
   58    HG1  THR   7           HG1      THR   7   6.574  11.965  14.259
   59   1HG2  THR   7          HG21      THR   7   8.879  12.321  13.588
   60   2HG2  THR   7          HG22      THR   7   9.919  10.891  13.629
   61   3HG2  THR   7          HG23      THR   7   8.683  11.045  12.364
   62    H    ASP   8           H        ASP   8   8.695   8.810  16.615
   63    HA   ASP   8           HA       ASP   8   7.284   6.714  17.604
   64   1HB   ASP   8          HB2       ASP   8   9.092   8.089  18.741
   65   2HB   ASP   8          HB3       ASP   8   7.854   9.267  19.157
   66    H    GLN   9           H        GLN   9   6.017   9.932  17.053
   67    HA   GLN   9           HA       GLN   9   3.716   9.873  18.699
   68   1HB   GLN   9          HB2       GLN   9   4.346  11.346  16.120
   69   2HB   GLN   9          HB3       GLN   9   2.916  11.674  17.098
   70   1HG   GLN   9          HG2       GLN   9   5.779  11.917  18.118
   71   2HG   GLN   9          HG3       GLN   9   4.805  13.260  17.532
   72   1HE2  GLN   9          HE22      GLN   9   5.672  11.509  20.335
   73   2HE2  GLN   9          HE21      GLN   9   4.407  12.086  21.387
   74    H    SER  10           H        SER  10   4.308   8.488  15.506
   75    HA   SER  10           HA       SER  10   1.438   7.651  15.306
   76   1HB   SER  10          HB2       SER  10   3.190   8.680  13.045
   77   2HB   SER  10          HB3       SER  10   1.471   8.255  12.962
   78    HG   SER  10           HG       SER  10   1.806  10.515  13.165
   79    H    PHE  11           H        PHE  11   4.660   6.537  15.296
   80    HA   PHE  11           HA       PHE  11   4.786   4.580  13.377
   81   1HB   PHE  11          HB2       PHE  11   6.591   5.242  14.931
   82   2HB   PHE  11          HB3       PHE  11   5.752   4.467  16.267
   83    HD1  PHE  11           HD1      PHE  11   5.954   2.072  16.627
   84    HD2  PHE  11           HD2      PHE  11   7.504   3.888  13.031
   85    HE1  PHE  11           HE1      PHE  11   7.163  -0.022  16.080
   86    HE2  PHE  11           HE2      PHE  11   8.716   1.808  12.501
   87    HZ   PHE  11           HZ       PHE  11   8.551  -0.163  14.035
   88    H    SER  12           H        SER  12   3.192   4.239  16.607
   89    HA   SER  12           HA       SER  12   2.542   1.532  16.350
   90   1HB   SER  12          HB2       SER  12   0.900   3.626  17.816
   91   2HB   SER  12          HB3       SER  12   1.079   1.908  18.218
   92    HG   SER  12           HG       SER  12   2.393   3.265  19.529
   93    H    ALA  13           H        ALA  13   0.779   4.396  15.173
   94    HA   ALA  13           HA       ALA  13  -1.575   2.918  14.419
   95   1HB   ALA  13          HB1       ALA  13  -2.191   4.970  13.197
   96   2HB   ALA  13          HB2       ALA  13  -1.650   5.361  14.840
   97   3HB   ALA  13          HB3       ALA  13  -0.567   5.636  13.453
   98    H    GLU  14           H        GLU  14   1.375   4.031  12.746
   99    HA   GLU  14           HA       GLU  14   0.575   3.126  10.175
  100   1HB   GLU  14          HB2       GLU  14   3.338   3.619  11.364
  101   2HB   GLU  14          HB3       GLU  14   3.102   3.125   9.693
  102   1HG   GLU  14          HG2       GLU  14   2.078   5.682  10.972
  103   2HG   GLU  14          HG3       GLU  14   3.394   5.527   9.807
  104    H    THR  15           H        THR  15   2.163   1.410  12.861
  105    HA   THR  15           HA       THR  15   2.649  -0.916  11.237
  106    HB   THR  15           HB       THR  15   3.531  -1.807  13.420
  107    HG1  THR  15           HG1      THR  15   3.331   0.878  14.264
  108   1HG2  THR  15          HG21      THR  15   4.644   0.808  12.294
  109   2HG2  THR  15          HG22      THR  15   5.509  -0.256  13.411
  110   3HG2  THR  15          HG23      THR  15   5.060  -0.845  11.807
  111    H    SER  16           H        SER  16  -0.235   0.111  12.330
  112    HA   SER  16           HA       SER  16  -1.112  -2.549  13.266
  113   1HB   SER  16          HB2       SER  16  -2.365   0.207  13.585
  114   2HB   SER  16          HB3       SER  16  -3.069  -1.308  14.180
  115    HG   SER  16           HG       SER  16  -0.712   0.005  15.028
  116    H    GLU  17           H        GLU  17  -0.628  -1.999  10.443
  117    HA   GLU  17           HA       GLU  17  -3.377  -2.465   9.404
  118   1HB   GLU  17          HB2       GLU  17  -1.328  -0.579   8.181
  119   2HB   GLU  17          HB3       GLU  17  -2.895  -1.020   7.476
  120   1HG   GLU  17          HG2       GLU  17  -3.994  -0.132   9.584
  121   2HG   GLU  17          HG3       GLU  17  -2.425   0.558  10.022
  122    H    GLY  18           H        GLY  18  -1.514  -4.483  10.030
  123   1HA   GLY  18          HA2       GLY  18  -1.813  -6.547   8.654
  124   2HA   GLY  18          HA3       GLY  18  -1.083  -5.669   7.304
  125    H    VAL  19           H        VAL  19   0.682  -7.138   7.128
  126    HA   VAL  19           HA       VAL  19   2.627  -7.307   9.349
  127    HB   VAL  19           HB       VAL  19   2.896  -8.048   6.387
  128   1HG1  VAL  19          HG11      VAL  19   4.946  -9.271   7.137
  129   2HG1  VAL  19          HG12      VAL  19   5.102  -7.530   7.390
  130   3HG1  VAL  19          HG13      VAL  19   4.743  -8.593   8.766
  131   1HG2  VAL  19          HG21      VAL  19   2.833 -10.378   7.148
  132   2HG2  VAL  19          HG22      VAL  19   2.589  -9.861   8.818
  133   3HG2  VAL  19          HG23      VAL  19   1.324  -9.567   7.593
  134    H    VAL  20           H        VAL  20   4.182  -5.742   9.615
  135    HA   VAL  20           HA       VAL  20   4.575  -3.736   7.472
  136    HB   VAL  20           HB       VAL  20   4.113  -3.092  10.416
  137   1HG1  VAL  20          HG11      VAL  20   5.649  -1.510   9.358
  138   2HG1  VAL  20          HG12      VAL  20   4.577  -1.348   7.956
  139   3HG1  VAL  20          HG13      VAL  20   4.077  -0.723   9.535
  140   1HG2  VAL  20          HG21      VAL  20   2.018  -1.881   9.464
  141   2HG2  VAL  20          HG22      VAL  20   2.260  -2.827   7.998
  142   3HG2  VAL  20          HG23      VAL  20   1.938  -3.636   9.542
  143    H    LEU  21           H        LEU  21   6.721  -3.364   7.155
  144    HA   LEU  21           HA       LEU  21   8.639  -4.631   9.071
  145   1HB   LEU  21          HB2       LEU  21   8.379  -5.664   6.808
  146   2HB   LEU  21          HB3       LEU  21   9.032  -4.184   6.091
  147    HG   LEU  21           HG       LEU  21  10.420  -6.039   8.090
  148   1HD1  LEU  21          HD11      LEU  21  10.901  -5.658   5.107
  149   2HD1  LEU  21          HD12      LEU  21  11.783  -6.759   6.189
  150   3HD1  LEU  21          HD13      LEU  21  10.073  -7.045   5.851
  151   1HD2  LEU  21          HD21      LEU  21  11.438  -3.550   6.667
  152   2HD2  LEU  21          HD22      LEU  21  11.447  -3.921   8.415
  153   3HD2  LEU  21          HD23      LEU  21  12.507  -4.805   7.322
  154    H    ALA  22           H        ALA  22   9.247  -3.026  10.368
  155    HA   ALA  22           HA       ALA  22   9.434  -0.264   9.405
  156   1HB   ALA  22          HB1       ALA  22   8.471  -0.630  11.608
  157   2HB   ALA  22          HB2       ALA  22   9.895  -1.581  12.100
  158   3HB   ALA  22          HB3       ALA  22  10.061   0.160  11.786
  159    H    ASP  23           H        ASP  23  11.396   0.817   9.241
  160    HA   ASP  23           HA       ASP  23  13.922  -0.789   9.314
  161   1HB   ASP  23          HB2       ASP  23  13.366  -0.579   7.014
  162   2HB   ASP  23          HB3       ASP  23  12.851   1.096   7.207
  163    H    PHE  24           H        PHE  24  14.646  -0.076  11.196
  164    HA   PHE  24           HA       PHE  24  14.584   2.730  12.045
  165   1HB   PHE  24          HB2       PHE  24  15.738   0.168  13.232
  166   2HB   PHE  24          HB3       PHE  24  16.018   1.759  13.911
  167    HD1  PHE  24           HD1      PHE  24  14.505   2.631  15.509
  168    HD2  PHE  24           HD2      PHE  24  13.173  -0.509  12.866
  169    HE1  PHE  24           HE1      PHE  24  12.293   2.651  16.597
  170    HE2  PHE  24           HE2      PHE  24  10.963  -0.487  13.982
  171    HZ   PHE  24           HZ       PHE  24  10.489   1.137  15.786
  172    H    TRP  25           H        TRP  25  15.967   4.086  11.109
  173    HA   TRP  25           HA       TRP  25  18.669   3.287  10.393
  174   1HB   TRP  25          HB2       TRP  25  18.356   3.061   8.202
  175   2HB   TRP  25          HB3       TRP  25  16.641   3.038   8.474
  176    HD1  TRP  25           HD1      TRP  25  19.298   4.930   6.720
  177    HE1  TRP  25           HE1      TRP  25  18.335   7.000   5.560
  178    HE3  TRP  25           HE3      TRP  25  14.790   5.183   9.099
  179    HZ2  TRP  25           HZ2      TRP  25  16.108   8.796   5.941
  180    HZ3  TRP  25           HZ3      TRP  25  13.330   7.186   8.804
  181    HH2  TRP  25           HH2      TRP  25  14.011   9.010   7.268
  182    H    ALA  26           H        ALA  26  19.549   5.532   9.115
  183    HA   ALA  26           HA       ALA  26  18.247   7.927   9.971
  184   1HB   ALA  26          HB1       ALA  26  19.506   7.524  12.059
  185   2HB   ALA  26          HB2       ALA  26  21.000   7.284  11.121
  186   3HB   ALA  26          HB3       ALA  26  20.206   8.881  11.175
  187    HA   PRO  27           HA       PRO  27  20.271   8.741   6.116
  188   1HB   PRO  27          HB2       PRO  27  20.576  11.624   6.862
  189   2HB   PRO  27          HB3       PRO  27  19.850  10.874   5.398
  190   1HG   PRO  27          HG2       PRO  27  18.289  11.903   7.417
  191   2HG   PRO  27          HG3       PRO  27  17.830  10.409   6.543
  192   1HD   PRO  27          HD2       PRO  27  19.135  10.667   9.257
  193   2HD   PRO  27          HD3       PRO  27  17.828   9.570   8.714
  194    H    TRP  28           H        TRP  28  22.028   9.586   9.057
  195    HA   TRP  28           HA       TRP  28  24.504  10.176   7.680
  196   1HB   TRP  28          HB2       TRP  28  25.573   9.995   9.815
  197   2HB   TRP  28          HB3       TRP  28  24.099  10.924   9.985
  198    HD1  TRP  28           HD1      TRP  28  22.302  10.040  11.637
  199    HE1  TRP  28           HE1      TRP  28  22.225   8.218  13.418
  200    HE3  TRP  28           HE3      TRP  28  26.501   7.429  10.293
  201    HZ2  TRP  28           HZ2      TRP  28  23.715   5.825  14.095
  202    HZ3  TRP  28           HZ3      TRP  28  27.121   5.360  11.500
  203    HH2  TRP  28           HH2      TRP  28  25.734   4.542  13.396
  204    H    CYS  29           H        CYS  29  22.736   7.276   8.254
  205    HA   CYS  29           HA       CYS  29  24.735   5.378   8.739
  206   1HB   CYS  29          HB2       CYS  29  22.190   5.201   8.931
  207   2HB   CYS  29          HB3       CYS  29  22.147   5.062   7.203
  208    H    GLY  30           H        GLY  30  25.805   3.901   7.333
  209   1HA   GLY  30          HA2       GLY  30  26.000   4.649   4.440
  210   2HA   GLY  30          HA3       GLY  30  27.210   3.765   5.369
  211    HA   PRO  31           HA       PRO  31  25.502  -0.169   4.445
  212   1HB   PRO  31          HB2       PRO  31  24.404  -0.648   7.210
  213   2HB   PRO  31          HB3       PRO  31  25.450  -1.704   6.221
  214   1HG   PRO  31          HG2       PRO  31  26.494  -0.244   8.255
  215   2HG   PRO  31          HG3       PRO  31  27.369  -0.371   6.693
  216   1HD   PRO  31          HD2       PRO  31  25.622   1.902   7.683
  217   2HD   PRO  31          HD3       PRO  31  27.212   1.970   6.865
  218    H    CYS  32           H        CYS  32  23.152   1.756   6.346
  219    HA   CYS  32           HA       CYS  32  20.775   0.477   5.577
  220   1HB   CYS  32          HB2       CYS  32  21.094   3.473   5.881
  221   2HB   CYS  32          HB3       CYS  32  19.648   2.507   6.104
  222    H    LYS  33           H        LYS  33  22.847   2.740   3.734
  223    HA   LYS  33           HA       LYS  33  20.881   3.338   1.726
  224   1HB   LYS  33          HB2       LYS  33  23.899   3.481   1.410
  225   2HB   LYS  33          HB3       LYS  33  22.683   4.397   0.532
  226   1HG   LYS  33          HG2       LYS  33  23.398   4.707   3.482
  227   2HG   LYS  33          HG3       LYS  33  23.887   5.767   2.170
  228   1HD   LYS  33          HD2       LYS  33  21.590   6.523   1.832
  229   2HD   LYS  33          HD3       LYS  33  20.973   5.316   2.965
  230   1HE   LYS  33          HE2       LYS  33  21.064   7.539   4.037
  231   2HE   LYS  33          HE3       LYS  33  22.125   6.360   4.841
  232   1HZ   LYS  33          HZ1       LYS  33  23.087   8.591   4.480
  233   2HZ   LYS  33          HZ2       LYS  33  23.993   7.360   3.939
  234   3HZ   LYS  33          HZ3       LYS  33  23.150   8.306   2.861
  235    H    MET  34           H        MET  34  23.064   0.612   2.271
  236    HA   MET  34           HA       MET  34  23.052  -0.337  -0.439
  237   1HB   MET  34          HB2       MET  34  23.440  -1.968   2.094
  238   2HB   MET  34          HB3       MET  34  23.922  -2.408   0.458
  239   1HG   MET  34          HG2       MET  34  25.487  -0.426   0.463
  240   2HG   MET  34          HG3       MET  34  25.092  -0.182   2.163
  241   1HE   MET  34          HE1       MET  34  26.462  -3.647   3.692
  242   2HE   MET  34          HE2       MET  34  25.263  -2.352   3.909
  243   3HE   MET  34          HE3       MET  34  24.942  -3.684   2.780
  244    H    ILE  35           H        ILE  35  21.072  -1.002   2.485
  245    HA   ILE  35           HA       ILE  35  19.511  -2.962   1.043
  246    HB   ILE  35           HB       ILE  35  20.136  -3.302   3.371
  247   1HG1  ILE  35          HG12      ILE  35  17.126  -3.246   2.963
  248   2HG1  ILE  35          HG13      ILE  35  18.227  -4.482   2.347
  249   1HG2  ILE  35          HG21      ILE  35  19.025  -2.125   5.213
  250   2HG2  ILE  35          HG22      ILE  35  19.955  -1.024   4.218
  251   3HG2  ILE  35          HG23      ILE  35  18.181  -1.074   4.052
  252   1HD1  ILE  35          HD11      ILE  35  18.865  -4.981   4.745
  253   2HD1  ILE  35          HD12      ILE  35  17.577  -3.867   5.256
  254   3HD1  ILE  35          HD13      ILE  35  17.177  -5.319   4.333
  255    H    ALA  36           H        ALA  36  19.152   0.503   1.674
  256    HA   ALA  36           HA       ALA  36  16.455   0.859   1.471
  257   1HB   ALA  36          HB1       ALA  36  18.007   2.683   1.838
  258   2HB   ALA  36          HB2       ALA  36  18.611   2.567   0.174
  259   3HB   ALA  36          HB3       ALA  36  16.935   3.067   0.478
  260    HA   PRO  37           HA       PRO  37  16.172   0.602  -3.274
  261   1HB   PRO  37          HB2       PRO  37  18.079  -0.764  -4.733
  262   2HB   PRO  37          HB3       PRO  37  18.091   1.004  -4.460
  263   1HG   PRO  37          HG2       PRO  37  19.591  -1.130  -2.916
  264   2HG   PRO  37          HG3       PRO  37  20.224   0.416  -3.567
  265   1HD   PRO  37          HD2       PRO  37  19.502   0.196  -0.982
  266   2HD   PRO  37          HD3       PRO  37  19.117   1.677  -1.898
  267    H    VAL  38           H        VAL  38  17.636  -2.039  -1.403
  268    HA   VAL  38           HA       VAL  38  16.225  -4.129  -2.773
  269    HB   VAL  38           HB       VAL  38  17.284  -4.259   0.071
  270   1HG1  VAL  38          HG11      VAL  38  15.913  -6.164  -0.688
  271   2HG1  VAL  38          HG12      VAL  38  16.952  -6.363  -2.119
  272   3HG1  VAL  38          HG13      VAL  38  17.600  -6.631  -0.471
  273   1HG2  VAL  38          HG21      VAL  38  19.403  -5.129  -0.886
  274   2HG2  VAL  38          HG22      VAL  38  18.841  -4.710  -2.520
  275   3HG2  VAL  38          HG23      VAL  38  19.158  -3.441  -1.317
  276    H    LEU  39           H        LEU  39  15.528  -2.051   0.124
  277    HA   LEU  39           HA       LEU  39  12.999  -3.250   0.658
  278   1HB   LEU  39          HB2       LEU  39  14.027  -0.436   1.194
  279   2HB   LEU  39          HB3       LEU  39  12.470  -1.022   1.756
  280    HG   LEU  39           HG       LEU  39  15.106  -2.347   2.465
  281   1HD1  LEU  39          HD11      LEU  39  13.465  -0.353   4.082
  282   2HD1  LEU  39          HD12      LEU  39  14.896  -1.237   4.661
  283   3HD1  LEU  39          HD13      LEU  39  15.055  -0.063   3.347
  284   1HD2  LEU  39          HD21      LEU  39  12.340  -2.635   3.726
  285   2HD2  LEU  39          HD22      LEU  39  13.109  -3.837   2.671
  286   3HD2  LEU  39          HD23      LEU  39  13.825  -3.462   4.242
  287    H    GLU  40           H        GLU  40  13.931  -0.596  -1.603
  288    HA   GLU  40           HA       GLU  40  11.251  -0.131  -2.466
  289   1HB   GLU  40          HB2       GLU  40  13.862   0.187  -3.985
  290   2HB   GLU  40          HB3       GLU  40  12.283   0.667  -4.608
  291   1HG   GLU  40          HG2       GLU  40  11.963   2.178  -2.667
  292   2HG   GLU  40          HG3       GLU  40  13.559   1.746  -2.059
  293    H    GLU  41           H        GLU  41  13.652  -2.535  -3.615
  294    HA   GLU  41           HA       GLU  41  11.932  -3.669  -5.583
  295   1HB   GLU  41          HB2       GLU  41  14.326  -4.775  -4.079
  296   2HB   GLU  41          HB3       GLU  41  13.448  -5.704  -5.300
  297   1HG   GLU  41          HG2       GLU  41  13.874  -3.994  -6.997
  298   2HG   GLU  41          HG3       GLU  41  14.698  -2.972  -5.829
  299    H    LEU  42           H        LEU  42  12.352  -4.384  -2.119
  300    HA   LEU  42           HA       LEU  42  10.585  -6.595  -1.997
  301   1HB   LEU  42          HB2       LEU  42  12.171  -5.918  -0.166
  302   2HB   LEU  42          HB3       LEU  42  11.173  -4.503   0.155
  303    HG   LEU  42           HG       LEU  42   9.237  -6.029   0.694
  304   1HD1  LEU  42          HD11      LEU  42   9.776  -8.417   1.199
  305   2HD1  LEU  42          HD12      LEU  42   9.902  -8.047  -0.524
  306   3HD1  LEU  42          HD13      LEU  42  11.376  -8.194   0.461
  307   1HD2  LEU  42          HD21      LEU  42  10.196  -6.754   2.896
  308   2HD2  LEU  42          HD22      LEU  42  11.800  -6.272   2.297
  309   3HD2  LEU  42          HD23      LEU  42  10.525  -5.064   2.482
  310    H    ASP  43           H        ASP  43   9.995  -3.064  -1.639
  311    HA   ASP  43           HA       ASP  43   7.252  -3.198  -1.038
  312   1HB   ASP  43          HB2       ASP  43   8.724  -1.134  -0.970
  313   2HB   ASP  43          HB3       ASP  43   8.613  -1.067  -2.740
  314    H    GLN  44           H        GLN  44   8.943  -3.095  -4.164
  315    HA   GLN  44           HA       GLN  44   6.545  -3.044  -5.733
  316   1HB   GLN  44          HB2       GLN  44   9.449  -3.641  -6.388
  317   2HB   GLN  44          HB3       GLN  44   8.178  -3.562  -7.617
  318   1HG   GLN  44          HG2       GLN  44   7.682  -1.260  -7.126
  319   2HG   GLN  44          HG3       GLN  44   8.678  -1.259  -5.673
  320   1HE2  GLN  44          HE22      GLN  44  10.983  -1.386  -5.884
  321   2HE2  GLN  44          HE21      GLN  44  11.799  -0.876  -7.364
  322    H    GLU  45           H        GLU  45   7.951  -5.630  -3.989
  323    HA   GLU  45           HA       GLU  45   6.756  -7.728  -5.714
  324   1HB   GLU  45          HB2       GLU  45   8.834  -7.713  -3.496
  325   2HB   GLU  45          HB3       GLU  45   8.114  -9.203  -4.104
  326   1HG   GLU  45          HG2       GLU  45   9.529  -7.198  -5.902
  327   2HG   GLU  45          HG3       GLU  45  10.350  -8.543  -5.114
  328    H    MET  46           H        MET  46   6.574  -6.263  -2.489
  329    HA   MET  46           HA       MET  46   4.436  -8.216  -1.761
  330   1HB   MET  46          HB2       MET  46   6.425  -6.793   0.039
  331   2HB   MET  46          HB3       MET  46   5.285  -8.055   0.505
  332   1HG   MET  46          HG2       MET  46   7.692  -8.340  -1.342
  333   2HG   MET  46          HG3       MET  46   7.550  -8.965   0.290
  334   1HE   MET  46          HE1       MET  46   6.629 -11.196   0.923
  335   2HE   MET  46          HE2       MET  46   5.012 -10.475   0.681
  336   3HE   MET  46          HE3       MET  46   5.386 -12.080   0.007
  337    H    GLY  47           H        GLY  47   4.777  -4.920  -2.485
  338   1HA   GLY  47          HA2       GLY  47   3.573  -3.551  -0.434
  339   2HA   GLY  47          HA3       GLY  47   3.472  -3.111  -2.139
  340    H    ASP  48           H        ASP  48   1.900  -5.917  -2.239
  341    HA   ASP  48           HA       ASP  48  -0.761  -4.755  -2.072
  342   1HB   ASP  48          HB2       ASP  48  -0.173  -6.359  -3.847
  343   2HB   ASP  48          HB3       ASP  48   0.164  -7.595  -2.631
  344    H    LYS  49           H        LYS  49   1.379  -6.631  -0.053
  345    HA   LYS  49           HA       LYS  49  -0.751  -7.139   1.984
  346   1HB   LYS  49          HB2       LYS  49   1.636  -8.870   1.191
  347   2HB   LYS  49          HB3       LYS  49   0.498  -9.220   2.499
  348   1HG   LYS  49          HG2       LYS  49  -1.364  -9.370   0.911
  349   2HG   LYS  49          HG3       LYS  49  -0.284  -8.985  -0.436
  350   1HD   LYS  49          HD2       LYS  49  -0.053 -11.469   1.311
  351   2HD   LYS  49          HD3       LYS  49  -0.840 -11.383  -0.272
  352   1HE   LYS  49          HE2       LYS  49   1.375 -10.507  -1.207
  353   2HE   LYS  49          HE3       LYS  49   2.112 -10.942   0.341
  354   1HZ   LYS  49          HZ1       LYS  49   2.362 -12.711  -1.289
  355   2HZ   LYS  49          HZ2       LYS  49   1.399 -13.253  -0.087
  356   3HZ   LYS  49          HZ3       LYS  49   0.757 -12.815  -1.523
  357    H    LEU  50           H        LEU  50   2.387  -5.756   1.332
  358    HA   LEU  50           HA       LEU  50   3.036  -5.636   4.223
  359   1HB   LEU  50          HB2       LEU  50   4.543  -6.985   2.780
  360   2HB   LEU  50          HB3       LEU  50   4.738  -5.593   1.705
  361    HG   LEU  50           HG       LEU  50   5.854  -4.329   3.546
  362   1HD1  LEU  50          HD11      LEU  50   6.650  -5.606   5.504
  363   2HD1  LEU  50          HD12      LEU  50   4.899  -5.501   5.488
  364   3HD1  LEU  50          HD13      LEU  50   5.688  -7.010   4.991
  365   1HD2  LEU  50          HD21      LEU  50   7.181  -5.401   1.877
  366   2HD2  LEU  50          HD22      LEU  50   7.962  -5.640   3.447
  367   3HD2  LEU  50          HD23      LEU  50   7.051  -6.972   2.690
  368    H    LYS  51           H        LYS  51   3.720  -3.730   5.066
  369    HA   LYS  51           HA       LYS  51   3.886  -1.293   3.342
  370   1HB   LYS  51          HB2       LYS  51   1.910  -1.184   4.910
  371   2HB   LYS  51          HB3       LYS  51   3.007  -1.462   6.261
  372   1HG   LYS  51          HG2       LYS  51   4.256   0.673   5.496
  373   2HG   LYS  51          HG3       LYS  51   2.887   0.968   4.423
  374   1HD   LYS  51          HD2       LYS  51   2.740   0.636   7.456
  375   2HD   LYS  51          HD3       LYS  51   2.843   2.186   6.618
  376   1HE   LYS  51          HE2       LYS  51   0.706   1.722   5.450
  377   2HE   LYS  51          HE3       LYS  51   0.579   0.165   6.291
  378   1HZ   LYS  51          HZ1       LYS  51   0.532   1.371   8.378
  379   2HZ   LYS  51          HZ2       LYS  51   0.659   2.820   7.609
  380   3HZ   LYS  51          HZ3       LYS  51  -0.695   1.908   7.416
  381    H    ILE  52           H        ILE  52   5.798  -0.046   3.824
  382    HA   ILE  52           HA       ILE  52   7.726  -1.364   5.683
  383    HB   ILE  52           HB       ILE  52   8.283  -0.003   3.030
  384   1HG1  ILE  52          HG12      ILE  52   8.715  -2.891   3.926
  385   2HG1  ILE  52          HG13      ILE  52   7.450  -2.334   2.833
  386   1HG2  ILE  52          HG21      ILE  52  10.020   0.590   4.704
  387   2HG2  ILE  52          HG22      ILE  52  10.281  -1.138   5.038
  388   3HG2  ILE  52          HG23      ILE  52  10.670  -0.447   3.448
  389   1HD1  ILE  52          HD11      ILE  52  10.420  -2.402   2.264
  390   2HD1  ILE  52          HD12      ILE  52   9.112  -3.281   1.460
  391   3HD1  ILE  52          HD13      ILE  52   9.247  -1.526   1.253
  392    H    VAL  53           H        VAL  53   8.619   0.089   7.205
  393    HA   VAL  53           HA       VAL  53   7.617   2.916   7.040
  394    HB   VAL  53           HB       VAL  53   7.347   1.003   9.389
  395   1HG1  VAL  53          HG11      VAL  53   7.937   3.246  10.241
  396   2HG1  VAL  53          HG12      VAL  53   6.698   3.983   9.201
  397   3HG1  VAL  53          HG13      VAL  53   6.234   2.912  10.545
  398   1HG2  VAL  53          HG21      VAL  53   4.936   1.473   9.144
  399   2HG2  VAL  53          HG22      VAL  53   5.262   2.494   7.732
  400   3HG2  VAL  53          HG23      VAL  53   5.583   0.755   7.665
  401    H    LYS  54           H        LYS  54   9.524   3.933   6.629
  402    HA   LYS  54           HA       LYS  54  11.985   3.125   8.028
  403   1HB   LYS  54          HB2       LYS  54  11.412   5.511   6.216
  404   2HB   LYS  54          HB3       LYS  54  13.001   5.028   6.835
  405   1HG   LYS  54          HG2       LYS  54  12.791   2.836   5.665
  406   2HG   LYS  54          HG3       LYS  54  11.224   3.318   5.030
  407   1HD   LYS  54          HD2       LYS  54  12.904   3.587   3.312
  408   2HD   LYS  54          HD3       LYS  54  12.233   5.146   3.773
  409   1HE   LYS  54          HE2       LYS  54  14.571   5.440   3.480
  410   2HE   LYS  54          HE3       LYS  54  14.246   5.564   5.212
  411   1HZ   LYS  54          HZ1       LYS  54  15.408   3.226   3.812
  412   2HZ   LYS  54          HZ2       LYS  54  16.191   4.232   4.833
  413   3HZ   LYS  54          HZ3       LYS  54  15.049   3.212   5.405
  414    H    ILE  55           H        ILE  55  12.787   4.107   9.892
  415    HA   ILE  55           HA       ILE  55  11.478   6.568  10.856
  416    HB   ILE  55           HB       ILE  55  10.135   4.918  11.866
  417   1HG1  ILE  55          HG12      ILE  55  12.088   5.802  14.023
  418   2HG1  ILE  55          HG13      ILE  55  10.994   6.911  13.196
  419   1HG2  ILE  55          HG21      ILE  55  10.920   3.111  13.327
  420   2HG2  ILE  55          HG22      ILE  55  11.569   2.907  11.702
  421   3HG2  ILE  55          HG23      ILE  55  12.603   3.547  12.997
  422   1HD1  ILE  55          HD11      ILE  55  10.138   4.530  14.887
  423   2HD1  ILE  55          HD12      ILE  55  10.007   6.242  15.307
  424   3HD1  ILE  55          HD13      ILE  55   9.040   5.596  13.974
  425    H    ASP  56           H        ASP  56  12.869   7.976  11.584
  426    HA   ASP  56           HA       ASP  56  15.698   7.403  11.264
  427   1HB   ASP  56          HB2       ASP  56  14.723   9.396  10.292
  428   2HB   ASP  56          HB3       ASP  56  14.217   9.968  11.884
  429    H    VAL  57           H        VAL  57  16.725   6.457  13.007
  430    HA   VAL  57           HA       VAL  57  15.693   6.513  15.642
  431    HB   VAL  57           HB       VAL  57  17.795   5.487  16.342
  432   1HG1  VAL  57          HG11      VAL  57  16.827   4.331  13.697
  433   2HG1  VAL  57          HG12      VAL  57  17.591   3.460  15.048
  434   3HG1  VAL  57          HG13      VAL  57  15.991   4.187  15.254
  435   1HG2  VAL  57          HG21      VAL  57  19.453   6.695  14.951
  436   2HG2  VAL  57          HG22      VAL  57  19.605   4.943  14.766
  437   3HG2  VAL  57          HG23      VAL  57  18.816   5.895  13.502
  438    H    ASP  58           H        ASP  58  17.715   8.901  14.010
  439    HA   ASP  58           HA       ASP  58  18.990   9.932  16.373
  440   1HB   ASP  58          HB2       ASP  58  19.804  10.307  14.054
  441   2HB   ASP  58          HB3       ASP  58  18.389  11.321  13.738
  442    H    GLU  59           H        GLU  59  15.756  10.197  15.192
  443    HA   GLU  59           HA       GLU  59  15.160  12.417  17.112
  444   1HB   GLU  59          HB2       GLU  59  13.845  11.736  14.453
  445   2HB   GLU  59          HB3       GLU  59  13.278  12.971  15.587
  446   1HG   GLU  59          HG2       GLU  59  15.552  14.089  15.372
  447   2HG   GLU  59          HG3       GLU  59  15.887  12.995  14.028
  448    H    ASN  60           H        ASN  60  15.022   9.167  16.921
  449    HA   ASN  60           HA       ASN  60  12.379   8.934  18.273
  450   1HB   ASN  60          HB2       ASN  60  13.201   7.305  15.835
  451   2HB   ASN  60          HB3       ASN  60  11.815   6.972  16.864
  452   1HD2  ASN  60          HD22      ASN  60  12.997   8.986  14.284
  453   2HD2  ASN  60          HD21      ASN  60  11.513   9.891  14.041
  454    H    GLN  61           H        GLN  61  14.858   8.981  19.462
  455    HA   GLN  61           HA       GLN  61  16.109   6.495  19.941
  456   1HB   GLN  61          HB2       GLN  61  15.695   8.946  21.699
  457   2HB   GLN  61          HB3       GLN  61  16.711   7.582  22.169
  458   1HG   GLN  61          HG2       GLN  61  17.154   9.221  19.637
  459   2HG   GLN  61          HG3       GLN  61  17.963   9.523  21.171
  460   1HE2  GLN  61          HE22      GLN  61  17.962   7.591  18.292
  461   2HE2  GLN  61          HE21      GLN  61  19.311   6.546  18.724
  462    H    GLU  62           H        GLU  62  13.061   7.868  21.171
  463    HA   GLU  62           HA       GLU  62  12.708   6.091  23.346
  464   1HB   GLU  62          HB2       GLU  62  10.530   7.431  21.661
  465   2HB   GLU  62          HB3       GLU  62  10.388   6.805  23.300
  466   1HG   GLU  62          HG2       GLU  62  10.650   8.973  23.848
  467   2HG   GLU  62          HG3       GLU  62  12.358   8.569  23.782
  468    H    THR  63           H        THR  63  11.443   5.915  19.936
  469    HA   THR  63           HA       THR  63  10.127   3.435  20.338
  470    HB   THR  63           HB       THR  63  11.182   4.233  17.680
  471    HG1  THR  63           HG1      THR  63   9.214   5.725  19.073
  472   1HG2  THR  63          HG21      THR  63   8.956   3.702  16.857
  473   2HG2  THR  63          HG22      THR  63   9.567   2.372  17.846
  474   3HG2  THR  63          HG23      THR  63   8.361   3.483  18.524
  475    H    ALA  64           H        ALA  64  13.394   4.313  19.111
  476    HA   ALA  64           HA       ALA  64  14.293   1.684  18.517
  477   1HB   ALA  64          HB1       ALA  64  16.577   2.695  18.859
  478   2HB   ALA  64          HB2       ALA  64  15.531   3.726  17.863
  479   3HB   ALA  64          HB3       ALA  64  15.823   4.123  19.571
  480    H    GLY  65           H        GLY  65  14.460   3.543  21.607
  481   1HA   GLY  65          HA2       GLY  65  15.680   1.544  23.181
  482   2HA   GLY  65          HA3       GLY  65  14.646   2.865  23.759
  483    H    LYS  66           H        LYS  66  12.304   1.940  22.147
  484    HA   LYS  66           HA       LYS  66  10.990   0.379  24.036
  485   1HB   LYS  66          HB2       LYS  66  10.080   1.847  22.051
  486   2HB   LYS  66          HB3       LYS  66  10.294   0.411  21.076
  487   1HG   LYS  66          HG2       LYS  66   8.012   0.548  21.729
  488   2HG   LYS  66          HG3       LYS  66   8.723  -0.843  22.547
  489   1HD   LYS  66          HD2       LYS  66   8.900   0.454  24.645
  490   2HD   LYS  66          HD3       LYS  66   8.276   1.896  23.841
  491   1HE   LYS  66          HE2       LYS  66   6.768  -0.746  24.141
  492   2HE   LYS  66          HE3       LYS  66   6.617   0.615  25.252
  493   1HZ   LYS  66          HZ1       LYS  66   5.887   0.694  22.383
  494   2HZ   LYS  66          HZ2       LYS  66   4.851   0.636  23.635
  495   3HZ   LYS  66          HZ3       LYS  66   5.774   1.957  23.420
  496    H    TYR  67           H        TYR  67  12.970  -0.678  21.282
  497    HA   TYR  67           HA       TYR  67  12.494  -3.512  22.122
  498   1HB   TYR  67          HB2       TYR  67  13.413  -2.821  19.367
  499   2HB   TYR  67          HB3       TYR  67  12.486  -4.205  19.918
  500    HD1  TYR  67           HD1      TYR  67  10.001  -3.652  20.750
  501    HD2  TYR  67           HD2      TYR  67  12.403  -1.003  18.332
  502    HE1  TYR  67           HE1      TYR  67   7.974  -2.362  20.150
  503    HE2  TYR  67           HE2      TYR  67  10.427   0.311  17.781
  504    HH   TYR  67           HH       TYR  67   7.130  -0.509  19.018
  505    H    GLY  68           H        GLY  68  14.677  -1.276  22.749
  506   1HA   GLY  68          HA2       GLY  68  16.900  -1.259  23.229
  507   2HA   GLY  68          HA3       GLY  68  16.883  -3.026  23.114
  508    H    VAL  69           H        VAL  69  16.049  -0.818  20.415
  509    HA   VAL  69           HA       VAL  69  18.091  -1.936  18.665
  510    HB   VAL  69           HB       VAL  69  16.336   0.539  18.370
  511   1HG1  VAL  69          HG11      VAL  69  18.241   0.687  16.865
  512   2HG1  VAL  69          HG12      VAL  69  17.989  -0.981  16.322
  513   3HG1  VAL  69          HG13      VAL  69  16.799   0.282  15.932
  514   1HG2  VAL  69          HG21      VAL  69  15.879  -2.296  17.376
  515   2HG2  VAL  69          HG22      VAL  69  14.897  -1.387  18.544
  516   3HG2  VAL  69          HG23      VAL  69  14.940  -0.874  16.862
  517    H    MET  70           H        MET  70  20.190  -1.369  18.796
  518    HA   MET  70           HA       MET  70  20.985   1.324  19.814
  519   1HB   MET  70          HB2       MET  70  22.140  -1.407  20.510
  520   2HB   MET  70          HB3       MET  70  22.916   0.123  20.924
  521   1HG   MET  70          HG2       MET  70  20.166  -0.728  21.888
  522   2HG   MET  70          HG3       MET  70  21.657  -0.867  22.807
  523   1HE   MET  70          HE1       MET  70  18.883   0.568  23.717
  524   2HE   MET  70          HE2       MET  70  20.291   0.332  24.779
  525   3HE   MET  70          HE3       MET  70  19.552   1.943  24.623
  526    H    SER  71           H        SER  71  20.881  -0.479  17.114
  527    HA   SER  71           HA       SER  71  23.255   0.690  15.919
  528   1HB   SER  71          HB2       SER  71  22.600  -2.290  15.700
  529   2HB   SER  71          HB3       SER  71  23.922  -1.445  14.884
  530    HG   SER  71           HG       SER  71  24.617  -2.575  16.753
  531    H    ILE  72           H        ILE  72  23.012   0.529  13.482
  532    HA   ILE  72           HA       ILE  72  20.362  -0.175  12.505
  533    HB   ILE  72           HB       ILE  72  20.208   1.952  11.212
  534   1HG1  ILE  72          HG12      ILE  72  22.065   3.206  13.273
  535   2HG1  ILE  72          HG13      ILE  72  22.644   2.685  11.681
  536   1HG2  ILE  72          HG21      ILE  72  19.044   3.159  12.935
  537   2HG2  ILE  72          HG22      ILE  72  18.857   1.437  13.277
  538   3HG2  ILE  72          HG23      ILE  72  20.009   2.398  14.215
  539   1HD1  ILE  72          HD11      ILE  72  22.158   5.047  11.604
  540   2HD1  ILE  72          HD12      ILE  72  20.975   4.182  10.607
  541   3HD1  ILE  72          HD13      ILE  72  20.516   4.790  12.213
  542    HA   PRO  73           HA       PRO  73  19.479   0.241  10.085
  543   1HB   PRO  73          HB2       PRO  73  19.040  -1.731   8.237
  544   2HB   PRO  73          HB3       PRO  73  19.696  -0.125   7.820
  545   1HG   PRO  73          HG2       PRO  73  21.204  -2.709   8.263
  546   2HG   PRO  73          HG3       PRO  73  21.433  -1.506   6.959
  547   1HD   PRO  73          HD2       PRO  73  23.019  -1.583   9.195
  548   2HD   PRO  73          HD3       PRO  73  22.597  -0.044   8.393
  549    H    THR  74           H        THR  74  17.868  -0.713  11.227
  550    HA   THR  74           HA       THR  74  18.128  -3.584  11.980
  551    HB   THR  74           HB       THR  74  17.525  -1.261  13.850
  552    HG1  THR  74           HG1      THR  74  19.506  -1.574  14.381
  553   1HG2  THR  74          HG21      THR  74  17.343  -3.122  15.596
  554   2HG2  THR  74          HG22      THR  74  15.975  -2.979  14.486
  555   3HG2  THR  74          HG23      THR  74  17.173  -4.265  14.251
  556    H    LEU  75           H        LEU  75  16.176  -4.678  11.979
  557    HA   LEU  75           HA       LEU  75  13.970  -3.229  10.609
  558   1HB   LEU  75          HB2       LEU  75  14.975  -6.049  10.134
  559   2HB   LEU  75          HB3       LEU  75  13.626  -5.282   9.315
  560    HG   LEU  75           HG       LEU  75  16.564  -4.482   9.100
  561   1HD1  LEU  75          HD11      LEU  75  16.411  -5.356   6.817
  562   2HD1  LEU  75          HD12      LEU  75  15.994  -6.615   7.985
  563   3HD1  LEU  75          HD13      LEU  75  14.709  -5.797   7.070
  564   1HD2  LEU  75          HD21      LEU  75  15.279  -2.474   8.796
  565   2HD2  LEU  75          HD22      LEU  75  15.843  -3.015   7.217
  566   3HD2  LEU  75          HD23      LEU  75  14.152  -3.278   7.691
  567    H    LEU  76           H        LEU  76  11.999  -3.519  11.574
  568    HA   LEU  76           HA       LEU  76  11.717  -5.671  13.661
  569   1HB   LEU  76          HB2       LEU  76  10.808  -2.769  13.672
  570   2HB   LEU  76          HB3       LEU  76   9.929  -3.989  14.556
  571    HG   LEU  76           HG       LEU  76  11.472  -2.611  15.943
  572   1HD1  LEU  76          HD11      LEU  76  12.026  -5.612  15.878
  573   2HD1  LEU  76          HD12      LEU  76  12.396  -4.519  17.229
  574   3HD1  LEU  76          HD13      LEU  76  10.721  -4.774  16.736
  575   1HD2  LEU  76          HD21      LEU  76  13.755  -4.165  14.693
  576   2HD2  LEU  76          HD22      LEU  76  13.354  -2.491  14.270
  577   3HD2  LEU  76          HD23      LEU  76  13.829  -2.902  15.929
  578    H    VAL  77           H        VAL  77  10.099  -7.032  13.117
  579    HA   VAL  77           HA       VAL  77   8.291  -6.239  10.874
  580    HB   VAL  77           HB       VAL  77   8.591  -9.021  12.020
  581   1HG1  VAL  77          HG11      VAL  77   7.586  -9.686   9.861
  582   2HG1  VAL  77          HG12      VAL  77   6.544  -8.561  10.740
  583   3HG1  VAL  77          HG13      VAL  77   7.512  -7.982   9.366
  584   1HG2  VAL  77          HG21      VAL  77   9.978  -9.614  10.069
  585   2HG2  VAL  77          HG22      VAL  77  10.103  -7.897   9.623
  586   3HG2  VAL  77          HG23      VAL  77  10.819  -8.494  11.140
  587    H    LEU  78           H        LEU  78   6.333  -5.637  11.549
  588    HA   LEU  78           HA       LEU  78   5.386  -6.506  14.220
  589   1HB   LEU  78          HB2       LEU  78   4.772  -3.881  12.778
  590   2HB   LEU  78          HB3       LEU  78   4.049  -4.441  14.278
  591    HG   LEU  78           HG       LEU  78   6.652  -4.595  15.011
  592   1HD1  LEU  78          HD11      LEU  78   6.611  -2.273  13.053
  593   2HD1  LEU  78          HD12      LEU  78   7.894  -2.622  14.228
  594   3HD1  LEU  78          HD13      LEU  78   7.571  -3.744  12.903
  595   1HD2  LEU  78          HD21      LEU  78   5.064  -2.011  15.117
  596   2HD2  LEU  78          HD22      LEU  78   4.878  -3.381  16.226
  597   3HD2  LEU  78          HD23      LEU  78   6.401  -2.485  16.178
  598    H    LYS  79           H        LYS  79   3.169  -7.035  14.300
  599    HA   LYS  79           HA       LYS  79   1.746  -7.218  11.695
  600   1HB   LYS  79          HB2       LYS  79   2.669  -9.437  12.048
  601   2HB   LYS  79          HB3       LYS  79   2.084  -9.477  13.712
  602   1HG   LYS  79          HG2       LYS  79   0.746 -10.864  12.211
  603   2HG   LYS  79          HG3       LYS  79  -0.239  -9.602  12.951
  604   1HD   LYS  79          HD2       LYS  79  -0.302  -8.318  10.921
  605   2HD   LYS  79          HD3       LYS  79   0.965  -9.280  10.180
  606   1HE   LYS  79          HE2       LYS  79  -1.884 -10.196  10.782
  607   2HE   LYS  79          HE3       LYS  79  -1.219  -9.767   9.205
  608   1HZ   LYS  79          HZ1       LYS  79  -0.706 -12.181  10.772
  609   2HZ   LYS  79          HZ2       LYS  79  -1.008 -12.039   9.161
  610   3HZ   LYS  79          HZ3       LYS  79   0.448 -11.667   9.726
  611    H    ASP  80           H        ASP  80   0.026  -5.995  11.944
  612    HA   ASP  80           HA       ASP  80  -1.727  -4.899  12.815
  613   1HB   ASP  80          HB2       ASP  80  -2.587  -7.200  12.685
  614   2HB   ASP  80          HB3       ASP  80  -2.122  -7.478  14.362
  615    H    GLY  81           H        GLY  81   0.669  -4.174  14.028
  616   1HA   GLY  81          HA2       GLY  81   0.856  -2.361  15.435
  617   2HA   GLY  81          HA3       GLY  81  -0.466  -2.943  16.440
  618    H    GLU  82           H        GLU  82   1.572  -5.639  16.193
  619    HA   GLU  82           HA       GLU  82   3.273  -4.716  18.460
  620   1HB   GLU  82          HB2       GLU  82   2.814  -6.678  19.648
  621   2HB   GLU  82          HB3       GLU  82   1.252  -6.062  19.091
  622   1HG   GLU  82          HG2       GLU  82   1.242  -7.758  17.271
  623   2HG   GLU  82          HG3       GLU  82   2.776  -8.403  17.860
  624    H    VAL  83           H        VAL  83   5.377  -5.597  18.549
  625    HA   VAL  83           HA       VAL  83   6.582  -6.406  16.055
  626    HB   VAL  83           HB       VAL  83   7.640  -6.599  18.901
  627   1HG1  VAL  83          HG11      VAL  83   8.897  -8.083  17.367
  628   2HG1  VAL  83          HG12      VAL  83   9.103  -6.748  16.213
  629   3HG1  VAL  83          HG13      VAL  83   9.874  -6.694  17.817
  630   1HG2  VAL  83          HG21      VAL  83   7.152  -4.247  18.254
  631   2HG2  VAL  83          HG22      VAL  83   8.886  -4.553  18.359
  632   3HG2  VAL  83          HG23      VAL  83   8.114  -4.460  16.772
  633    H    VAL  84           H        VAL  84   6.731  -8.285  15.182
  634    HA   VAL  84           HA       VAL  84   6.187 -10.711  16.799
  635    HB   VAL  84           HB       VAL  84   4.419  -9.979  15.166
  636   1HG1  VAL  84          HG11      VAL  84   5.753  -9.189  13.303
  637   2HG1  VAL  84          HG12      VAL  84   6.458 -10.802  13.065
  638   3HG1  VAL  84          HG13      VAL  84   4.729 -10.526  12.783
  639   1HG2  VAL  84          HG21      VAL  84   3.971 -12.244  14.357
  640   2HG2  VAL  84          HG22      VAL  84   5.621 -12.733  14.821
  641   3HG2  VAL  84          HG23      VAL  84   4.462 -12.205  16.056
  642    H    GLU  85           H        GLU  85   8.540  -9.039  14.665
  643    HA   GLU  85           HA       GLU  85  10.440 -11.120  15.435
  644   1HB   GLU  85          HB2       GLU  85   9.382 -12.156  13.511
  645   2HB   GLU  85          HB3       GLU  85   9.696 -10.758  12.502
  646   1HG   GLU  85          HG2       GLU  85  11.144 -12.542  11.915
  647   2HG   GLU  85          HG3       GLU  85  12.120 -11.255  12.595
  648    H    THR  86           H        THR  86  12.701 -10.563  14.625
  649    HA   THR  86           HA       THR  86  13.092  -7.681  14.038
  650    HB   THR  86           HB       THR  86  14.581  -9.193  16.220
  651    HG1  THR  86           HG1      THR  86  12.443  -8.887  16.853
  652   1HG2  THR  86          HG21      THR  86  15.880  -7.306  15.385
  653   2HG2  THR  86          HG22      THR  86  14.470  -6.232  15.500
  654   3HG2  THR  86          HG23      THR  86  15.227  -6.884  16.970
  655    H    SER  87           H        SER  87  15.104  -7.282  12.938
  656    HA   SER  87           HA       SER  87  17.072  -9.414  12.589
  657   1HB   SER  87          HB2       SER  87  15.562  -8.166  10.249
  658   2HB   SER  87          HB3       SER  87  17.116  -8.999  10.082
  659    HG   SER  87           HG       SER  87  15.094 -10.309  11.487
  660    H    VAL  88           H        VAL  88  19.143  -8.453  11.792
  661    HA   VAL  88           HA       VAL  88  19.288  -5.490  11.969
  662    HB   VAL  88           HB       VAL  88  21.151  -7.419  13.399
  663   1HG1  VAL  88          HG11      VAL  88  20.980  -4.373  13.441
  664   2HG1  VAL  88          HG12      VAL  88  22.015  -5.347  14.503
  665   3HG1  VAL  88          HG13      VAL  88  22.300  -5.351  12.765
  666   1HG2  VAL  88          HG21      VAL  88  18.996  -5.633  14.597
  667   2HG2  VAL  88          HG22      VAL  88  19.016  -7.412  14.607
  668   3HG2  VAL  88          HG23      VAL  88  20.226  -6.517  15.520
  669    H    GLY  89           H        GLY  89  20.883  -4.604  10.614
  670   1HA   GLY  89          HA2       GLY  89  22.639  -4.549   9.118
  671   2HA   GLY  89          HA3       GLY  89  22.872  -6.288   9.299
  672    H    PHE  90           H        PHE  90  23.214  -5.803   6.881
  673    HA   PHE  90           HA       PHE  90  21.008  -5.307   5.143
  674   1HB   PHE  90          HB2       PHE  90  23.384  -5.027   4.521
  675   2HB   PHE  90          HB3       PHE  90  23.644  -6.760   4.672
  676    HD1  PHE  90           HD1      PHE  90  22.197  -4.075   2.596
  677    HD2  PHE  90           HD2      PHE  90  22.777  -8.336   2.967
  678    HE1  PHE  90           HE1      PHE  90  21.527  -4.380   0.223
  679    HE2  PHE  90           HE2      PHE  90  22.097  -8.632   0.600
  680    HZ   PHE  90           HZ       PHE  90  21.467  -6.656  -0.774
  681    H    LYS  91           H        LYS  91  19.718  -6.756   3.946
  682    HA   LYS  91           HA       LYS  91  20.079  -9.639   4.174
  683   1HB   LYS  91          HB2       LYS  91  17.673  -8.210   5.279
  684   2HB   LYS  91          HB3       LYS  91  17.408  -9.672   4.316
  685   1HG   LYS  91          HG2       LYS  91  19.048 -10.896   5.747
  686   2HG   LYS  91          HG3       LYS  91  19.144  -9.465   6.804
  687   1HD   LYS  91          HD2       LYS  91  16.750  -9.662   7.306
  688   2HD   LYS  91          HD3       LYS  91  16.615 -11.027   6.166
  689   1HE   LYS  91          HE2       LYS  91  18.267 -12.312   7.514
  690   2HE   LYS  91          HE3       LYS  91  18.385 -10.975   8.661
  691   1HZ   LYS  91          HZ1       LYS  91  16.900 -12.740   9.412
  692   2HZ   LYS  91          HZ2       LYS  91  16.089 -11.338   9.281
  693   3HZ   LYS  91          HZ3       LYS  91  15.905 -12.521   8.140
  694    HA   PRO  92           HA       PRO  92  19.065  -8.668  -0.116
  695   1HB   PRO  92          HB2       PRO  92  18.872 -11.190  -1.172
  696   2HB   PRO  92          HB3       PRO  92  20.434 -10.450  -0.709
  697   1HG   PRO  92          HG2       PRO  92  18.736 -12.372   0.909
  698   2HG   PRO  92          HG3       PRO  92  20.497 -12.454   0.586
  699   1HD   PRO  92          HD2       PRO  92  19.493 -11.399   2.895
  700   2HD   PRO  92          HD3       PRO  92  20.953 -10.721   2.118
  701    H    LYS  93           H        LYS  93  17.203  -8.913  -1.573
  702    HA   LYS  93           HA       LYS  93  14.747  -8.688  -0.243
  703   1HB   LYS  93          HB2       LYS  93  13.708  -8.766  -2.492
  704   2HB   LYS  93          HB3       LYS  93  15.030  -7.622  -2.340
  705   1HG   LYS  93          HG2       LYS  93  16.541  -9.381  -3.448
  706   2HG   LYS  93          HG3       LYS  93  15.063 -10.314  -3.762
  707   1HD   LYS  93          HD2       LYS  93  14.132  -8.332  -4.980
  708   2HD   LYS  93          HD3       LYS  93  15.663  -7.463  -4.674
  709   1HE   LYS  93          HE2       LYS  93  16.917  -9.110  -5.962
  710   2HE   LYS  93          HE3       LYS  93  15.502 -10.161  -6.109
  711   1HZ   LYS  93          HZ1       LYS  93  15.946  -8.845  -8.118
  712   2HZ   LYS  93          HZ2       LYS  93  14.464  -8.531  -7.515
  713   3HZ   LYS  93          HZ3       LYS  93  15.677  -7.448  -7.297
  714    H    GLU  94           H        GLU  94  16.186 -11.619  -1.578
  715    HA   GLU  94           HA       GLU  94  13.826 -13.223  -1.445
  716   1HB   GLU  94          HB2       GLU  94  16.769 -13.978  -1.186
  717   2HB   GLU  94          HB3       GLU  94  15.440 -15.139  -1.319
  718   1HG   GLU  94          HG2       GLU  94  14.794 -14.138  -3.510
  719   2HG   GLU  94          HG3       GLU  94  16.166 -13.034  -3.404
  720    H    ALA  95           H        ALA  95  16.468 -12.651   0.962
  721    HA   ALA  95           HA       ALA  95  15.319 -14.268   3.006
  722   1HB   ALA  95          HB1       ALA  95  17.701 -13.582   3.007
  723   2HB   ALA  95          HB2       ALA  95  17.214 -11.886   3.252
  724   3HB   ALA  95          HB3       ALA  95  16.889 -13.095   4.505
  725    H    LEU  96           H        LEU  96  15.036 -10.802   2.194
  726    HA   LEU  96           HA       LEU  96  13.405 -10.084   4.408
  727   1HB   LEU  96          HB2       LEU  96  13.523  -8.927   1.613
  728   2HB   LEU  96          HB3       LEU  96  12.651  -8.202   2.959
  729    HG   LEU  96           HG       LEU  96  15.668  -8.620   2.892
  730   1HD1  LEU  96          HD11      LEU  96  14.808  -6.889   1.294
  731   2HD1  LEU  96          HD12      LEU  96  14.096  -6.027   2.675
  732   3HD1  LEU  96          HD13      LEU  96  15.855  -6.242   2.559
  733   1HD2  LEU  96          HD21      LEU  96  15.644  -7.103   4.886
  734   2HD2  LEU  96          HD22      LEU  96  13.878  -7.251   4.939
  735   3HD2  LEU  96          HD23      LEU  96  14.917  -8.677   5.197
  736    H    GLN  97           H        GLN  97  12.486 -11.282   1.144
  737    HA   GLN  97           HA       GLN  97   9.684 -11.077   1.618
  738   1HB   GLN  97          HB2       GLN  97  11.399 -12.758  -0.248
  739   2HB   GLN  97          HB3       GLN  97   9.669 -13.092  -0.114
  740   1HG   GLN  97          HG2       GLN  97   9.048 -10.922  -0.816
  741   2HG   GLN  97          HG3       GLN  97  10.702 -10.306  -0.677
  742   1HE2  GLN  97          HE22      GLN  97  12.305 -10.986  -2.162
  743   2HE2  GLN  97          HE21      GLN  97  11.872 -11.554  -3.775
  744    H    GLU  98           H        GLU  98  12.031 -13.664   2.380
  745    HA   GLU  98           HA       GLU  98  10.016 -15.491   3.290
  746   1HB   GLU  98          HB2       GLU  98  12.991 -15.290   3.898
  747   2HB   GLU  98          HB3       GLU  98  11.954 -16.543   4.590
  748   1HG   GLU  98          HG2       GLU  98  11.290 -17.269   2.310
  749   2HG   GLU  98          HG3       GLU  98  12.382 -16.080   1.609
  750    H    LEU  99           H        LEU  99  11.936 -12.995   4.959
  751    HA   LEU  99           HA       LEU  99  11.046 -13.403   7.592
  752   1HB   LEU  99          HB2       LEU  99  13.018 -12.122   6.947
  753   2HB   LEU  99          HB3       LEU  99  12.038 -10.997   6.023
  754    HG   LEU  99           HG       LEU  99  10.951 -10.207   8.069
  755   1HD1  LEU  99          HD11      LEU  99  11.218 -12.132   9.551
  756   2HD1  LEU  99          HD12      LEU  99  12.989 -12.045   9.419
  757   3HD1  LEU  99          HD13      LEU  99  12.095 -10.765  10.261
  758   1HD2  LEU  99          HD21      LEU  99  12.899  -8.909   8.865
  759   2HD2  LEU  99          HD22      LEU  99  13.991 -10.045   8.043
  760   3HD2  LEU  99          HD23      LEU  99  12.876  -9.037   7.098
  761    H    VAL 100           H        VAL 100   9.626 -11.432   4.915
  762    HA   VAL 100           HA       VAL 100   7.404 -10.456   6.435
  763    HB   VAL 100           HB       VAL 100   7.889 -10.904   3.463
  764   1HG1  VAL 100          HG11      VAL 100   5.476 -10.842   3.722
  765   2HG1  VAL 100          HG12      VAL 100   5.582  -9.394   4.743
  766   3HG1  VAL 100          HG13      VAL 100   6.030  -9.321   3.022
  767   1HG2  VAL 100          HG21      VAL 100   7.807  -8.226   4.875
  768   2HG2  VAL 100          HG22      VAL 100   9.298  -9.155   4.756
  769   3HG2  VAL 100          HG23      VAL 100   8.487  -8.671   3.278
  770    H    ASN 101           H        ASN 101   7.877 -13.252   4.285
  771    HA   ASN 101           HA       ASN 101   5.237 -14.070   4.042
  772   1HB   ASN 101          HB2       ASN 101   7.203 -14.783   2.651
  773   2HB   ASN 101          HB3       ASN 101   7.692 -15.872   3.952
  774   1HD2  ASN 101          HD22      ASN 101   5.768 -15.474   1.158
  775   2HD2  ASN 101          HD21      ASN 101   4.835 -16.945   1.282
  776    H    LYS 102           H        LYS 102   7.639 -15.036   6.497
  777    HA   LYS 102           HA       LYS 102   6.042 -17.141   7.587
  778   1HB   LYS 102          HB2       LYS 102   7.604 -17.148   9.455
  779   2HB   LYS 102          HB3       LYS 102   8.432 -17.131   7.894
  780   1HG   LYS 102          HG2       LYS 102   8.959 -14.770   8.128
  781   2HG   LYS 102          HG3       LYS 102   7.985 -14.658   9.575
  782   1HD   LYS 102          HD2       LYS 102  10.550 -16.273   9.309
  783   2HD   LYS 102          HD3       LYS 102  10.412 -14.660  10.030
  784   1HE   LYS 102          HE2       LYS 102   8.788 -15.599  11.712
  785   2HE   LYS 102          HE3       LYS 102   9.100 -17.210  11.057
  786   1HZ   LYS 102          HZ1       LYS 102  10.472 -16.894  12.941
  787   2HZ   LYS 102          HZ2       LYS 102  11.478 -16.832  11.665
  788   3HZ   LYS 102          HZ3       LYS 102  11.049 -15.455  12.463
  789    H    HIS 103           H        HIS 103   5.437 -13.817   7.796
  790    HA   HIS 103           HA       HIS 103   3.708 -14.238  10.202
  791   1HB   HIS 103          HB2       HIS 103   5.179 -11.725   9.337
  792   2HB   HIS 103          HB3       HIS 103   4.046 -11.829  10.688
  793    HD1  HIS 103           HD1      HIS 103   4.862 -13.959  12.543
  794    HD2  HIS 103           HD2      HIS 103   7.648 -12.123   9.989
  795    HE1  HIS 103           HE1      HIS 103   7.160 -14.472  13.509
  796    H    LEU 104           H        LEU 104   3.445 -13.951   6.914
  797    HA   LEU 104           HA       LEU 104   1.344 -12.045   6.598
  798   1HB   LEU 104          HB2       LEU 104   2.081 -14.599   5.139
  799   2HB   LEU 104          HB3       LEU 104   0.681 -13.637   4.674
  800    HG   LEU 104           HG       LEU 104   3.545 -12.594   4.708
  801   1HD1  LEU 104          HD11      LEU 104   1.777 -13.434   2.373
  802   2HD1  LEU 104          HD12      LEU 104   3.423 -12.760   2.260
  803   3HD1  LEU 104          HD13      LEU 104   3.160 -14.352   2.992
  804   1HD2  LEU 104          HD21      LEU 104   1.953 -10.742   4.979
  805   2HD2  LEU 104          HD22      LEU 104   2.599 -10.723   3.343
  806   3HD2  LEU 104          HD23      LEU 104   0.964 -11.356   3.641
  Start of MODEL   18
    1   1H    MET   1          H1        MET   1  -0.413  -1.996   1.734
    2   2H    MET   1          H2        MET   1   0.546  -2.221   0.424
    3   3H    MET   1          H3        MET   1   1.223  -1.820   1.846
    4    HA   MET   1           HA       MET   1  -0.552  -0.189   0.180
    5   1HB   MET   1          HB2       MET   1  -0.827   0.067   2.716
    6   2HB   MET   1          HB3       MET   1   0.733   0.873   2.722
    7   1HG   MET   1          HG2       MET   1  -1.698   1.645   1.044
    8   2HG   MET   1          HG3       MET   1  -1.288   2.370   2.587
    9   1HE   MET   1          HE1       MET   1   1.676   4.703   1.866
   10   2HE   MET   1          HE2       MET   1   0.386   4.236   2.995
   11   3HE   MET   1          HE3       MET   1   1.709   3.102   2.631
   12    H    ALA   2           H        ALA   2   2.512   0.876   1.795
   13    HA   ALA   2           HA       ALA   2   4.146   0.611  -0.554
   14   1HB   ALA   2          HB1       ALA   2   2.687   2.551  -1.239
   15   2HB   ALA   2          HB2       ALA   2   3.201   3.410   0.232
   16   3HB   ALA   2          HB3       ALA   2   4.379   3.007  -1.031
   17    H    ILE   3           H        ILE   3   6.167   2.334   0.023
   18    HA   ILE   3           HA       ILE   3   6.973   1.841   2.794
   19    HB   ILE   3           HB       ILE   3   8.179   3.512   0.560
   20   1HG1  ILE   3          HG12      ILE   3   9.613   1.078   1.564
   21   2HG1  ILE   3          HG13      ILE   3   8.119   0.733   0.708
   22   1HG2  ILE   3          HG21      ILE   3   9.352   2.809   3.291
   23   2HG2  ILE   3          HG22      ILE   3  10.288   3.476   1.934
   24   3HG2  ILE   3          HG23      ILE   3   8.996   4.432   2.659
   25   1HD1  ILE   3          HD11      ILE   3  10.357   2.469  -0.394
   26   2HD1  ILE   3          HD12      ILE   3  10.056   0.767  -0.786
   27   3HD1  ILE   3          HD13      ILE   3   8.844   1.998  -1.225
   28    H    VAL   4           H        VAL   4   7.031   3.413   4.397
   29    HA   VAL   4           HA       VAL   4   5.733   6.044   3.970
   30    HB   VAL   4           HB       VAL   4   5.092   4.080   6.217
   31   1HG1  VAL   4          HG11      VAL   4   3.786   6.714   5.413
   32   2HG1  VAL   4          HG12      VAL   4   3.102   5.572   6.584
   33   3HG1  VAL   4          HG13      VAL   4   4.629   6.346   6.943
   34   1HG2  VAL   4          HG21      VAL   4   3.471   4.672   3.711
   35   2HG2  VAL   4          HG22      VAL   4   4.136   3.099   4.216
   36   3HG2  VAL   4          HG23      VAL   4   2.830   3.831   5.138
   37    H    LYS   5           H        LYS   5   6.170   7.423   5.943
   38    HA   LYS   5           HA       LYS   5   8.760   6.846   7.299
   39   1HB   LYS   5          HB2       LYS   5   9.204   8.411   5.514
   40   2HB   LYS   5          HB3       LYS   5   7.763   9.349   5.909
   41   1HG   LYS   5          HG2       LYS   5   9.606  10.626   6.538
   42   2HG   LYS   5          HG3       LYS   5   8.820  10.106   8.011
   43   1HD   LYS   5          HD2       LYS   5  11.026   8.302   7.115
   44   2HD   LYS   5          HD3       LYS   5  11.550   9.960   7.373
   45   1HE   LYS   5          HE2       LYS   5  10.121   8.216   9.415
   46   2HE   LYS   5          HE3       LYS   5  11.845   8.572   9.391
   47   1HZ   LYS   5          HZ1       LYS   5  10.423   9.943  10.926
   48   2HZ   LYS   5          HZ2       LYS   5  11.422  10.826   9.948
   49   3HZ   LYS   5          HZ3       LYS   5   9.821  10.719   9.638
   50    H    ALA   6           H        ALA   6   8.628   7.259   9.424
   51    HA   ALA   6           HA       ALA   6   6.107   8.388  10.576
   52   1HB   ALA   6          HB1       ALA   6   5.877   6.358  11.980
   53   2HB   ALA   6          HB2       ALA   6   5.824   5.950  10.263
   54   3HB   ALA   6          HB3       ALA   6   7.309   5.655  11.207
   55    H    THR   7           H        THR   7   6.222   8.235  13.039
   56    HA   THR   7           HA       THR   7   8.849   8.920  14.199
   57    HB   THR   7           HB       THR   7   7.431  10.475  15.672
   58    HG1  THR   7           HG1      THR   7   5.515  11.218  14.787
   59   1HG2  THR   7          HG21      THR   7   7.532  12.377  14.093
   60   2HG2  THR   7          HG22      THR   7   8.974  11.363  13.920
   61   3HG2  THR   7          HG23      THR   7   7.666  11.259  12.717
   62    H    ASP   8           H        ASP   8   8.612   8.693  16.665
   63    HA   ASP   8           HA       ASP   8   7.926   6.259  17.549
   64   1HB   ASP   8          HB2       ASP   8   9.091   7.976  18.925
   65   2HB   ASP   8          HB3       ASP   8   7.576   8.846  19.119
   66    H    GLN   9           H        GLN   9   5.618   8.968  17.326
   67    HA   GLN   9           HA       GLN   9   3.542   7.384  18.626
   68   1HB   GLN   9          HB2       GLN   9   3.630  10.254  17.651
   69   2HB   GLN   9          HB3       GLN   9   2.213   9.517  18.404
   70   1HG   GLN   9          HG2       GLN   9   4.959   9.702  19.737
   71   2HG   GLN   9          HG3       GLN   9   3.644  10.840  19.995
   72   1HE2  GLN   9          HE22      GLN   9   5.045   7.897  21.163
   73   2HE2  GLN   9          HE21      GLN   9   3.686   7.411  22.151
   74    H    SER  10           H        SER  10   4.249   8.665  15.368
   75    HA   SER  10           HA       SER  10   1.729   7.859  14.216
   76   1HB   SER  10          HB2       SER  10   4.390   8.160  12.773
   77   2HB   SER  10          HB3       SER  10   2.763   8.287  12.090
   78    HG   SER  10           HG       SER  10   4.239  10.090  13.645
   79    H    PHE  11           H        PHE  11   4.825   6.241  14.775
   80    HA   PHE  11           HA       PHE  11   4.778   4.084  13.078
   81   1HB   PHE  11          HB2       PHE  11   6.634   4.705  14.491
   82   2HB   PHE  11          HB3       PHE  11   5.717   4.390  15.955
   83    HD1  PHE  11           HD1      PHE  11   7.916   3.026  13.432
   84    HD2  PHE  11           HD2      PHE  11   5.152   1.994  16.587
   85    HE1  PHE  11           HE1      PHE  11   8.991   0.816  13.668
   86    HE2  PHE  11           HE2      PHE  11   6.200  -0.237  16.768
   87    HZ   PHE  11           HZ       PHE  11   8.149  -0.822  15.340
   88    H    SER  12           H        SER  12   3.168   4.239  16.342
   89    HA   SER  12           HA       SER  12   2.333   1.565  16.284
   90   1HB   SER  12          HB2       SER  12   0.939   3.879  17.688
   91   2HB   SER  12          HB3       SER  12   0.948   2.171  18.173
   92    HG   SER  12           HG       SER  12   2.453   3.427  19.367
   93    H    ALA  13           H        ALA  13   0.729   4.459  14.973
   94    HA   ALA  13           HA       ALA  13  -1.728   3.085  14.348
   95   1HB   ALA  13          HB1       ALA  13  -1.647   5.549  14.584
   96   2HB   ALA  13          HB2       ALA  13  -0.551   5.653  13.185
   97   3HB   ALA  13          HB3       ALA  13  -2.215   5.077  12.971
   98    H    GLU  14           H        GLU  14   1.248   3.925  12.567
   99    HA   GLU  14           HA       GLU  14   0.351   2.920  10.074
  100   1HB   GLU  14          HB2       GLU  14   3.164   3.359  11.168
  101   2HB   GLU  14          HB3       GLU  14   2.854   2.835   9.517
  102   1HG   GLU  14          HG2       GLU  14   1.946   5.453  10.764
  103   2HG   GLU  14          HG3       GLU  14   3.235   5.235   9.585
  104    H    THR  15           H        THR  15   2.030   1.274  12.767
  105    HA   THR  15           HA       THR  15   2.414  -1.128  11.243
  106    HB   THR  15           HB       THR  15   3.264  -1.981  13.442
  107    HG1  THR  15           HG1      THR  15   3.045   0.704  14.264
  108   1HG2  THR  15          HG21      THR  15   4.848  -1.071  11.879
  109   2HG2  THR  15          HG22      THR  15   4.409   0.599  12.269
  110   3HG2  THR  15          HG23      THR  15   5.247  -0.391  13.468
  111    H    SER  16           H        SER  16  -0.405   0.072  12.513
  112    HA   SER  16           HA       SER  16  -1.376  -2.543  13.432
  113   1HB   SER  16          HB2       SER  16  -2.600   0.241  13.596
  114   2HB   SER  16          HB3       SER  16  -3.343  -1.238  14.231
  115    HG   SER  16           HG       SER  16  -0.999   0.087  15.096
  116    H    GLU  17           H        GLU  17  -0.766  -2.073  10.626
  117    HA   GLU  17           HA       GLU  17  -3.424  -2.733   9.462
  118   1HB   GLU  17          HB2       GLU  17  -1.441  -0.755   8.289
  119   2HB   GLU  17          HB3       GLU  17  -2.848  -1.424   7.444
  120   1HG   GLU  17          HG2       GLU  17  -4.297  -0.509   9.323
  121   2HG   GLU  17          HG3       GLU  17  -2.874   0.375   9.893
  122    H    GLY  18           H        GLY  18  -2.284  -4.858  10.101
  123   1HA   GLY  18          HA2       GLY  18  -1.951  -6.870   8.970
  124   2HA   GLY  18          HA3       GLY  18  -1.397  -5.992   7.540
  125    H    VAL  19           H        VAL  19   0.415  -7.414   7.411
  126    HA   VAL  19           HA       VAL  19   2.508  -7.334   9.467
  127    HB   VAL  19           HB       VAL  19   2.581  -8.306   6.572
  128   1HG1  VAL  19          HG11      VAL  19   4.713  -9.426   7.233
  129   2HG1  VAL  19          HG12      VAL  19   4.863  -7.668   7.309
  130   3HG1  VAL  19          HG13      VAL  19   4.652  -8.601   8.804
  131   1HG2  VAL  19          HG21      VAL  19   2.624 -10.569   7.597
  132   2HG2  VAL  19          HG22      VAL  19   2.428  -9.845   9.206
  133   3HG2  VAL  19          HG23      VAL  19   1.131  -9.718   7.998
  134    H    VAL  20           H        VAL  20   4.068  -5.817   9.583
  135    HA   VAL  20           HA       VAL  20   4.449  -3.873   7.387
  136    HB   VAL  20           HB       VAL  20   4.046  -3.183  10.334
  137   1HG1  VAL  20          HG11      VAL  20   4.050  -0.810   9.505
  138   2HG1  VAL  20          HG12      VAL  20   5.609  -1.599   9.289
  139   3HG1  VAL  20          HG13      VAL  20   4.520  -1.400   7.901
  140   1HG2  VAL  20          HG21      VAL  20   1.986  -1.896   9.339
  141   2HG2  VAL  20          HG22      VAL  20   2.184  -2.929   7.930
  142   3HG2  VAL  20          HG23      VAL  20   1.854  -3.643   9.516
  143    H    LEU  21           H        LEU  21   6.641  -3.160   7.306
  144    HA   LEU  21           HA       LEU  21   8.520  -4.549   9.175
  145   1HB   LEU  21          HB2       LEU  21   8.177  -5.682   6.968
  146   2HB   LEU  21          HB3       LEU  21   8.890  -4.268   6.173
  147    HG   LEU  21           HG       LEU  21  10.226  -6.051   8.265
  148   1HD1  LEU  21          HD11      LEU  21  11.553  -6.937   6.388
  149   2HD1  LEU  21          HD12      LEU  21   9.830  -7.222   6.137
  150   3HD1  LEU  21          HD13      LEU  21  10.645  -5.915   5.249
  151   1HD2  LEU  21          HD21      LEU  21  12.352  -4.947   7.392
  152   2HD2  LEU  21          HD22      LEU  21  11.315  -3.695   6.687
  153   3HD2  LEU  21          HD23      LEU  21  11.344  -3.971   8.453
  154    H    ALA  22           H        ALA  22   9.228  -2.941  10.396
  155    HA   ALA  22           HA       ALA  22   9.433  -0.216   9.337
  156   1HB   ALA  22          HB1       ALA  22   8.456  -0.546  11.571
  157   2HB   ALA  22          HB2       ALA  22   9.934  -1.399  12.088
  158   3HB   ALA  22          HB3       ALA  22  10.000   0.335  11.680
  159    H    ASP  23           H        ASP  23  11.400   0.885   9.249
  160    HA   ASP  23           HA       ASP  23  13.918  -0.724   9.293
  161   1HB   ASP  23          HB2       ASP  23  13.317  -0.470   6.995
  162   2HB   ASP  23          HB3       ASP  23  12.886   1.228   7.219
  163    H    PHE  24           H        PHE  24  14.672  -0.044  11.163
  164    HA   PHE  24           HA       PHE  24  14.618   2.739  12.094
  165   1HB   PHE  24          HB2       PHE  24  15.762   0.132  13.191
  166   2HB   PHE  24          HB3       PHE  24  16.070   1.696  13.914
  167    HD1  PHE  24           HD1      PHE  24  13.142  -0.435  12.787
  168    HD2  PHE  24           HD2      PHE  24  14.646   2.432  15.640
  169    HE1  PHE  24           HE1      PHE  24  10.964  -0.430  13.954
  170    HE2  PHE  24           HE2      PHE  24  12.456   2.435  16.783
  171    HZ   PHE  24           HZ       PHE  24  10.587   1.041  15.899
  172    H    TRP  25           H        TRP  25  15.970   4.112  11.168
  173    HA   TRP  25           HA       TRP  25  18.697   3.360  10.503
  174   1HB   TRP  25          HB2       TRP  25  18.440   3.159   8.300
  175   2HB   TRP  25          HB3       TRP  25  16.722   3.099   8.535
  176    HD1  TRP  25           HD1      TRP  25  19.353   5.043   6.814
  177    HE1  TRP  25           HE1      TRP  25  18.323   7.066   5.615
  178    HE3  TRP  25           HE3      TRP  25  14.838   5.199   9.176
  179    HZ2  TRP  25           HZ2      TRP  25  16.016   8.776   5.923
  180    HZ3  TRP  25           HZ3      TRP  25  13.288   7.113   8.803
  181    HH2  TRP  25           HH2      TRP  25  13.872   8.904   7.180
  182    H    ALA  26           H        ALA  26  19.581   5.617   9.273
  183    HA   ALA  26           HA       ALA  26  18.255   8.003  10.110
  184   1HB   ALA  26          HB1       ALA  26  19.474   7.591  12.220
  185   2HB   ALA  26          HB2       ALA  26  20.982   7.337  11.309
  186   3HB   ALA  26          HB3       ALA  26  20.209   8.944  11.352
  187    HA   PRO  27           HA       PRO  27  20.254   8.746   6.240
  188   1HB   PRO  27          HB2       PRO  27  20.569  11.643   6.955
  189   2HB   PRO  27          HB3       PRO  27  19.864  10.884   5.485
  190   1HG   PRO  27          HG2       PRO  27  18.265  11.911   7.464
  191   2HG   PRO  27          HG3       PRO  27  17.837  10.389   6.621
  192   1HD   PRO  27          HD2       PRO  27  19.118  10.731   9.339
  193   2HD   PRO  27          HD3       PRO  27  17.830   9.603   8.812
  194    H    TRP  28           H        TRP  28  22.067   9.640   9.131
  195    HA   TRP  28           HA       TRP  28  24.521  10.191   7.717
  196   1HB   TRP  28          HB2       TRP  28  25.623  10.006   9.834
  197   2HB   TRP  28          HB3       TRP  28  24.153  10.936  10.032
  198    HD1  TRP  28           HD1      TRP  28  22.384  10.045  11.716
  199    HE1  TRP  28           HE1      TRP  28  22.330   8.206  13.480
  200    HE3  TRP  28           HE3      TRP  28  26.556   7.438  10.281
  201    HZ2  TRP  28           HZ2      TRP  28  23.819   5.797  14.104
  202    HZ3  TRP  28           HZ3      TRP  28  27.188   5.354  11.456
  203    HH2  TRP  28           HH2      TRP  28  25.826   4.517  13.360
  204    H    CYS  29           H        CYS  29  22.753   7.297   8.352
  205    HA   CYS  29           HA       CYS  29  24.732   5.410   8.870
  206   1HB   CYS  29          HB2       CYS  29  22.209   5.204   9.060
  207   2HB   CYS  29          HB3       CYS  29  22.149   5.078   7.331
  208    H    GLY  30           H        GLY  30  25.888   3.963   7.580
  209   1HA   GLY  30          HA2       GLY  30  26.207   4.589   4.690
  210   2HA   GLY  30          HA3       GLY  30  27.301   3.630   5.696
  211    HA   PRO  31           HA       PRO  31  25.481  -0.091   4.476
  212   1HB   PRO  31          HB2       PRO  31  24.506  -1.498   6.702
  213   2HB   PRO  31          HB3       PRO  31  26.205  -1.397   6.160
  214   1HG   PRO  31          HG2       PRO  31  24.826   0.243   8.288
  215   2HG   PRO  31          HG3       PRO  31  26.459  -0.487   8.323
  216   1HD   PRO  31          HD2       PRO  31  26.096   2.127   7.789
  217   2HD   PRO  31          HD3       PRO  31  27.329   1.193   6.895
  218    H    CYS  32           H        CYS  32  23.177   1.758   6.453
  219    HA   CYS  32           HA       CYS  32  20.777   0.502   5.686
  220   1HB   CYS  32          HB2       CYS  32  21.167   3.493   5.977
  221   2HB   CYS  32          HB3       CYS  32  19.689   2.576   6.182
  222    H    LYS  33           H        LYS  33  22.883   2.741   3.848
  223    HA   LYS  33           HA       LYS  33  20.953   3.339   1.814
  224   1HB   LYS  33          HB2       LYS  33  23.986   3.424   1.591
  225   2HB   LYS  33          HB3       LYS  33  22.831   4.315   0.611
  226   1HG   LYS  33          HG2       LYS  33  23.291   4.737   3.600
  227   2HG   LYS  33          HG3       LYS  33  24.008   5.693   2.313
  228   1HD   LYS  33          HD2       LYS  33  21.867   6.597   1.657
  229   2HD   LYS  33          HD3       LYS  33  20.992   5.467   2.691
  230   1HE   LYS  33          HE2       LYS  33  21.110   7.776   3.655
  231   2HE   LYS  33          HE3       LYS  33  21.765   6.514   4.705
  232   1HZ   LYS  33          HZ1       LYS  33  23.491   8.211   3.004
  233   2HZ   LYS  33          HZ2       LYS  33  23.116   8.548   4.568
  234   3HZ   LYS  33          HZ3       LYS  33  23.937   7.186   4.236
  235    H    MET  34           H        MET  34  23.073   0.572   2.391
  236    HA   MET  34           HA       MET  34  23.064  -0.383  -0.320
  237   1HB   MET  34          HB2       MET  34  23.422  -2.003   2.223
  238   2HB   MET  34          HB3       MET  34  23.894  -2.468   0.590
  239   1HG   MET  34          HG2       MET  34  25.501  -0.529   0.568
  240   2HG   MET  34          HG3       MET  34  25.104  -0.236   2.258
  241   1HE   MET  34          HE1       MET  34  24.889  -3.727   2.955
  242   2HE   MET  34          HE2       MET  34  26.400  -3.686   3.881
  243   3HE   MET  34          HE3       MET  34  25.215  -2.371   4.051
  244    H    ILE  35           H        ILE  35  21.073  -1.015   2.602
  245    HA   ILE  35           HA       ILE  35  19.525  -2.990   1.168
  246    HB   ILE  35           HB       ILE  35  20.193  -3.287   3.509
  247   1HG1  ILE  35          HG12      ILE  35  17.199  -3.398   3.018
  248   2HG1  ILE  35          HG13      ILE  35  18.390  -4.587   2.488
  249   1HG2  ILE  35          HG21      ILE  35  18.114  -1.175   4.187
  250   2HG2  ILE  35          HG22      ILE  35  19.034  -2.168   5.340
  251   3HG2  ILE  35          HG23      ILE  35  19.882  -1.007   4.338
  252   1HD1  ILE  35          HD11      ILE  35  17.574  -3.927   5.345
  253   2HD1  ILE  35          HD12      ILE  35  17.319  -5.436   4.458
  254   3HD1  ILE  35          HD13      ILE  35  18.957  -4.965   4.935
  255    H    ALA  36           H        ALA  36  19.123   0.463   1.834
  256    HA   ALA  36           HA       ALA  36  16.421   0.792   1.637
  257   1HB   ALA  36          HB1       ALA  36  17.941   2.629   2.024
  258   2HB   ALA  36          HB2       ALA  36  18.565   2.534   0.367
  259   3HB   ALA  36          HB3       ALA  36  16.881   3.012   0.656
  260    HA   PRO  37           HA       PRO  37  16.147   0.586  -3.110
  261   1HB   PRO  37          HB2       PRO  37  18.074  -0.732  -4.588
  262   2HB   PRO  37          HB3       PRO  37  18.061   1.032  -4.287
  263   1HG   PRO  37          HG2       PRO  37  19.589  -1.105  -2.775
  264   2HG   PRO  37          HG3       PRO  37  20.201   0.460  -3.402
  265   1HD   PRO  37          HD2       PRO  37  19.481   0.191  -0.821
  266   2HD   PRO  37          HD3       PRO  37  19.073   1.680  -1.715
  267    H    VAL  38           H        VAL  38  17.654  -2.074  -1.297
  268    HA   VAL  38           HA       VAL  38  16.288  -4.165  -2.702
  269    HB   VAL  38           HB       VAL  38  17.310  -4.303   0.160
  270   1HG1  VAL  38          HG11      VAL  38  15.946  -6.211  -0.641
  271   2HG1  VAL  38          HG12      VAL  38  17.044  -6.414  -2.025
  272   3HG1  VAL  38          HG13      VAL  38  17.628  -6.668  -0.355
  273   1HG2  VAL  38          HG21      VAL  38  19.183  -3.464  -1.214
  274   2HG2  VAL  38          HG22      VAL  38  19.443  -5.148  -0.773
  275   3HG2  VAL  38          HG23      VAL  38  18.895  -4.740  -2.414
  276    H    LEU  39           H        LEU  39  15.543  -2.168   0.229
  277    HA   LEU  39           HA       LEU  39  13.050  -3.419   0.789
  278   1HB   LEU  39          HB2       LEU  39  14.071  -0.615   1.358
  279   2HB   LEU  39          HB3       LEU  39  12.524  -1.208   1.940
  280    HG   LEU  39           HG       LEU  39  15.139  -2.619   2.558
  281   1HD1  LEU  39          HD11      LEU  39  15.089  -1.493   4.753
  282   2HD1  LEU  39          HD12      LEU  39  15.266  -0.337   3.425
  283   3HD1  LEU  39          HD13      LEU  39  13.690  -0.526   4.227
  284   1HD2  LEU  39          HD21      LEU  39  12.420  -2.734   3.940
  285   2HD2  LEU  39          HD22      LEU  39  13.088  -3.992   2.881
  286   3HD2  LEU  39          HD23      LEU  39  13.880  -3.627   4.417
  287    H    GLU  40           H        GLU  40  13.883  -0.657  -1.379
  288    HA   GLU  40           HA       GLU  40  11.208  -0.180  -2.215
  289   1HB   GLU  40          HB2       GLU  40  13.834   0.225  -3.687
  290   2HB   GLU  40          HB3       GLU  40  12.264   0.713  -4.327
  291   1HG   GLU  40          HG2       GLU  40  11.880   2.154  -2.357
  292   2HG   GLU  40          HG3       GLU  40  13.453   1.705  -1.703
  293    H    GLU  41           H        GLU  41  13.620  -2.495  -3.514
  294    HA   GLU  41           HA       GLU  41  11.894  -3.526  -5.542
  295   1HB   GLU  41          HB2       GLU  41  14.297  -4.690  -4.097
  296   2HB   GLU  41          HB3       GLU  41  13.402  -5.592  -5.325
  297   1HG   GLU  41          HG2       GLU  41  13.816  -3.851  -6.992
  298   2HG   GLU  41          HG3       GLU  41  14.638  -2.846  -5.805
  299    H    LEU  42           H        LEU  42  12.301  -4.358  -2.116
  300    HA   LEU  42           HA       LEU  42  10.560  -6.597  -2.076
  301   1HB   LEU  42          HB2       LEU  42  12.151  -5.219  -0.202
  302   2HB   LEU  42          HB3       LEU  42  10.536  -4.903   0.376
  303    HG   LEU  42           HG       LEU  42  11.472  -6.817   1.477
  304   1HD1  LEU  42          HD11      LEU  42   9.430  -7.872  -0.505
  305   2HD1  LEU  42          HD12      LEU  42   9.789  -8.511   1.116
  306   3HD1  LEU  42          HD13      LEU  42   9.038  -6.916   0.937
  307   1HD2  LEU  42          HD21      LEU  42  11.826  -8.106  -1.273
  308   2HD2  LEU  42          HD22      LEU  42  13.112  -7.451  -0.243
  309   3HD2  LEU  42          HD23      LEU  42  12.152  -8.847   0.291
  310    H    ASP  43           H        ASP  43   9.922  -3.114  -1.519
  311    HA   ASP  43           HA       ASP  43   7.174  -3.319  -0.960
  312   1HB   ASP  43          HB2       ASP  43   8.607  -1.245  -0.752
  313   2HB   ASP  43          HB3       ASP  43   8.532  -1.080  -2.519
  314    H    GLN  44           H        GLN  44   8.895  -3.032  -4.059
  315    HA   GLN  44           HA       GLN  44   6.508  -2.892  -5.638
  316   1HB   GLN  44          HB2       GLN  44   9.415  -3.437  -6.312
  317   2HB   GLN  44          HB3       GLN  44   8.151  -3.291  -7.542
  318   1HG   GLN  44          HG2       GLN  44   7.637  -1.024  -6.910
  319   2HG   GLN  44          HG3       GLN  44   8.634  -1.107  -5.458
  320   1HE2  GLN  44          HE22      GLN  44  10.944  -1.227  -5.683
  321   2HE2  GLN  44          HE21      GLN  44  11.755  -0.618  -7.127
  322    H    GLU  45           H        GLU  45   7.933  -5.585  -4.065
  323    HA   GLU  45           HA       GLU  45   6.706  -7.560  -5.911
  324   1HB   GLU  45          HB2       GLU  45   8.823  -7.685  -3.741
  325   2HB   GLU  45          HB3       GLU  45   8.092  -9.137  -4.425
  326   1HG   GLU  45          HG2       GLU  45   9.483  -7.015  -6.105
  327   2HG   GLU  45          HG3       GLU  45  10.302  -8.430  -5.446
  328    H    MET  46           H        MET  46   6.584  -6.349  -2.574
  329    HA   MET  46           HA       MET  46   4.424  -8.331  -1.988
  330   1HB   MET  46          HB2       MET  46   6.460  -7.097  -0.101
  331   2HB   MET  46          HB3       MET  46   5.281  -8.346   0.289
  332   1HG   MET  46          HG2       MET  46   7.642  -8.581  -1.619
  333   2HG   MET  46          HG3       MET  46   7.510  -9.310  -0.025
  334   1HE   MET  46          HE1       MET  46   6.393 -11.482   0.516
  335   2HE   MET  46          HE2       MET  46   4.821 -10.664   0.228
  336   3HE   MET  46          HE3       MET  46   5.141 -12.266  -0.480
  337    H    GLY  47           H        GLY  47   4.825  -4.981  -2.422
  338   1HA   GLY  47          HA2       GLY  47   3.572  -3.816  -0.243
  339   2HA   GLY  47          HA3       GLY  47   3.543  -3.195  -1.899
  340    H    ASP  48           H        ASP  48   2.024  -5.962  -2.410
  341    HA   ASP  48           HA       ASP  48  -0.674  -4.957  -2.309
  342   1HB   ASP  48          HB2       ASP  48   0.056  -6.548  -4.021
  343   2HB   ASP  48          HB3       ASP  48   0.455  -7.740  -2.780
  344    H    LYS  49           H        LYS  49   1.380  -6.874  -0.183
  345    HA   LYS  49           HA       LYS  49  -0.804  -7.136   1.843
  346   1HB   LYS  49          HB2       LYS  49   1.667  -8.852   1.300
  347   2HB   LYS  49          HB3       LYS  49   0.560  -9.101   2.638
  348   1HG   LYS  49          HG2       LYS  49  -0.343  -9.257  -0.271
  349   2HG   LYS  49          HG3       LYS  49   0.374 -10.608   0.588
  350   1HD   LYS  49          HD2       LYS  49  -1.873 -11.060   0.863
  351   2HD   LYS  49          HD3       LYS  49  -1.430 -10.314   2.383
  352   1HE   LYS  49          HE2       LYS  49  -3.486  -9.345   1.892
  353   2HE   LYS  49          HE3       LYS  49  -2.352  -8.099   1.382
  354   1HZ   LYS  49          HZ1       LYS  49  -3.714 -10.028  -0.405
  355   2HZ   LYS  49          HZ2       LYS  49  -4.067  -8.445  -0.254
  356   3HZ   LYS  49          HZ3       LYS  49  -2.646  -8.894  -0.921
  357    H    LEU  50           H        LEU  50   2.445  -5.987   1.170
  358    HA   LEU  50           HA       LEU  50   3.060  -5.732   4.036
  359   1HB   LEU  50          HB2       LEU  50   4.593  -6.858   2.410
  360   2HB   LEU  50          HB3       LEU  50   4.728  -5.345   1.515
  361    HG   LEU  50           HG       LEU  50   5.868  -4.279   3.428
  362   1HD1  LEU  50          HD11      LEU  50   5.646  -7.027   4.744
  363   2HD1  LEU  50          HD12      LEU  50   6.640  -5.675   5.327
  364   3HD1  LEU  50          HD13      LEU  50   4.887  -5.533   5.327
  365   1HD2  LEU  50          HD21      LEU  50   7.064  -6.918   2.537
  366   2HD2  LEU  50          HD22      LEU  50   7.189  -5.353   1.706
  367   3HD2  LEU  50          HD23      LEU  50   7.961  -5.574   3.283
  368    H    LYS  51           H        LYS  51   4.009  -3.791   4.875
  369    HA   LYS  51           HA       LYS  51   3.867  -1.301   3.306
  370   1HB   LYS  51          HB2       LYS  51   1.843  -1.305   4.807
  371   2HB   LYS  51          HB3       LYS  51   2.894  -1.634   6.187
  372   1HG   LYS  51          HG2       LYS  51   4.111   0.571   5.617
  373   2HG   LYS  51          HG3       LYS  51   2.793   0.897   4.493
  374   1HD   LYS  51          HD2       LYS  51   2.508   0.399   7.492
  375   2HD   LYS  51          HD3       LYS  51   2.589   1.989   6.729
  376   1HE   LYS  51          HE2       LYS  51   0.526   1.460   5.418
  377   2HE   LYS  51          HE3       LYS  51   0.412  -0.102   6.256
  378   1HZ   LYS  51          HZ1       LYS  51   0.231   1.107   8.335
  379   2HZ   LYS  51          HZ2       LYS  51   0.359   2.557   7.562
  380   3HZ   LYS  51          HZ3       LYS  51  -0.964   1.608   7.315
  381    H    ILE  52           H        ILE  52   5.732  -0.005   3.890
  382    HA   ILE  52           HA       ILE  52   7.638  -1.339   5.754
  383    HB   ILE  52           HB       ILE  52   8.239  -0.018   3.097
  384   1HG1  ILE  52          HG12      ILE  52   8.566  -2.895   4.057
  385   2HG1  ILE  52          HG13      ILE  52   7.403  -2.310   2.868
  386   1HG2  ILE  52          HG21      ILE  52  10.226  -1.142   5.120
  387   2HG2  ILE  52          HG22      ILE  52  10.618  -0.458   3.528
  388   3HG2  ILE  52          HG23      ILE  52   9.971   0.586   4.778
  389   1HD1  ILE  52          HD11      ILE  52  10.401  -2.529   2.517
  390   2HD1  ILE  52          HD12      ILE  52   9.114  -3.363   1.635
  391   3HD1  ILE  52          HD13      ILE  52   9.351  -1.620   1.405
  392    H    VAL  53           H        VAL  53   8.618   0.116   7.227
  393    HA   VAL  53           HA       VAL  53   7.560   2.930   7.112
  394    HB   VAL  53           HB       VAL  53   7.331   0.927   9.396
  395   1HG1  VAL  53          HG11      VAL  53   7.936   3.132  10.357
  396   2HG1  VAL  53          HG12      VAL  53   6.689   3.917   9.360
  397   3HG1  VAL  53          HG13      VAL  53   6.233   2.785  10.656
  398   1HG2  VAL  53          HG21      VAL  53   4.927   1.414   9.213
  399   2HG2  VAL  53          HG22      VAL  53   5.229   2.489   7.837
  400   3HG2  VAL  53          HG23      VAL  53   5.552   0.754   7.699
  401    H    LYS  54           H        LYS  54   9.450   4.005   6.667
  402    HA   LYS  54           HA       LYS  54  11.954   3.249   8.004
  403   1HB   LYS  54          HB2       LYS  54  11.324   5.760   6.393
  404   2HB   LYS  54          HB3       LYS  54  12.928   5.162   6.849
  405   1HG   LYS  54          HG2       LYS  54  12.495   3.079   5.516
  406   2HG   LYS  54          HG3       LYS  54  10.990   3.796   4.932
  407   1HD   LYS  54          HD2       LYS  54  13.783   4.948   4.520
  408   2HD   LYS  54          HD3       LYS  54  12.851   4.033   3.325
  409   1HE   LYS  54          HE2       LYS  54  11.064   5.781   3.393
  410   2HE   LYS  54          HE3       LYS  54  12.035   6.714   4.540
  411   1HZ   LYS  54          HZ1       LYS  54  12.339   7.506   2.283
  412   2HZ   LYS  54          HZ2       LYS  54  13.750   6.910   2.834
  413   3HZ   LYS  54          HZ3       LYS  54  12.856   6.051   1.770
  414    H    ILE  55           H        ILE  55  12.724   4.127   9.918
  415    HA   ILE  55           HA       ILE  55  11.416   6.557  10.968
  416    HB   ILE  55           HB       ILE  55  10.149   4.779  11.929
  417   1HG1  ILE  55          HG12      ILE  55  12.022   5.957  14.021
  418   2HG1  ILE  55          HG13      ILE  55  10.731   6.851  13.209
  419   1HG2  ILE  55          HG21      ILE  55  11.809   2.914  11.798
  420   2HG2  ILE  55          HG22      ILE  55  12.684   3.637  13.166
  421   3HG2  ILE  55          HG23      ILE  55  11.029   3.037  13.370
  422   1HD1  ILE  55          HD11      ILE  55  10.355   4.438  15.018
  423   2HD1  ILE  55          HD12      ILE  55   9.957   6.123  15.384
  424   3HD1  ILE  55          HD13      ILE  55   9.052   5.264  14.125
  425    H    ASP  56           H        ASP  56  12.789   7.964  11.760
  426    HA   ASP  56           HA       ASP  56  15.637   7.427  11.334
  427   1HB   ASP  56          HB2       ASP  56  14.652   9.371  10.287
  428   2HB   ASP  56          HB3       ASP  56  14.117   9.992  11.853
  429    H    VAL  57           H        VAL  57  16.604   6.494  13.097
  430    HA   VAL  57           HA       VAL  57  15.547   6.658  15.723
  431    HB   VAL  57           HB       VAL  57  17.520   5.469  16.447
  432   1HG1  VAL  57          HG11      VAL  57  16.677   4.408  13.719
  433   2HG1  VAL  57          HG12      VAL  57  17.264   3.484  15.118
  434   3HG1  VAL  57          HG13      VAL  57  15.693   4.312  15.190
  435   1HG2  VAL  57          HG21      VAL  57  19.371   4.867  14.955
  436   2HG2  VAL  57          HG22      VAL  57  18.711   5.900  13.674
  437   3HG2  VAL  57          HG23      VAL  57  19.310   6.617  15.182
  438    H    ASP  58           H        ASP  58  17.628   8.936  14.042
  439    HA   ASP  58           HA       ASP  58  18.971   9.977  16.369
  440   1HB   ASP  58          HB2       ASP  58  19.752  10.356  14.045
  441   2HB   ASP  58          HB3       ASP  58  18.317  11.347  13.738
  442    H    GLU  59           H        GLU  59  15.735  10.345  15.106
  443    HA   GLU  59           HA       GLU  59  15.163  12.543  17.056
  444   1HB   GLU  59          HB2       GLU  59  13.826  11.879  14.404
  445   2HB   GLU  59          HB3       GLU  59  13.281  13.116  15.548
  446   1HG   GLU  59          HG2       GLU  59  15.576  14.195  15.338
  447   2HG   GLU  59          HG3       GLU  59  15.893  13.100  13.989
  448    H    ASN  60           H        ASN  60  14.942   9.286  16.813
  449    HA   ASN  60           HA       ASN  60  12.355   9.076  18.274
  450   1HB   ASN  60          HB2       ASN  60  13.110   7.430  15.824
  451   2HB   ASN  60          HB3       ASN  60  11.752   7.108  16.890
  452   1HD2  ASN  60          HD21      ASN  60  12.911   9.153  14.308
  453   2HD2  ASN  60          HD22      ASN  60  11.418  10.057  14.086
  454    H    GLN  61           H        GLN  61  14.792   9.173  19.443
  455    HA   GLN  61           HA       GLN  61  16.256   6.775  19.615
  456   1HB   GLN  61          HB2       GLN  61  16.094   8.583  22.018
  457   2HB   GLN  61          HB3       GLN  61  17.462   7.747  21.322
  458   1HG   GLN  61          HG2       GLN  61  17.931   9.996  20.922
  459   2HG   GLN  61          HG3       GLN  61  17.335   9.433  19.371
  460   1HE2  GLN  61          HE22      GLN  61  16.830  11.758  18.848
  461   2HE2  GLN  61          HE21      GLN  61  15.449  12.522  19.605
  462    H    GLU  62           H        GLU  62  13.402   7.953  21.388
  463    HA   GLU  62           HA       GLU  62  13.323   5.993  23.422
  464   1HB   GLU  62          HB2       GLU  62  11.077   7.543  22.049
  465   2HB   GLU  62          HB3       GLU  62  10.873   6.591  23.520
  466   1HG   GLU  62          HG2       GLU  62  12.705   9.014  23.231
  467   2HG   GLU  62          HG3       GLU  62  11.108   9.017  23.963
  468    H    THR  63           H        THR  63  11.866   5.983  20.093
  469    HA   THR  63           HA       THR  63  10.503   3.533  20.425
  470    HB   THR  63           HB       THR  63  11.571   4.429  17.779
  471    HG1  THR  63           HG1      THR  63   9.557   5.758  19.269
  472   1HG2  THR  63          HG21      THR  63   8.796   3.531  18.647
  473   2HG2  THR  63          HG22      THR  63   9.271   3.960  16.998
  474   3HG2  THR  63          HG23      THR  63   9.994   2.552  17.780
  475    H    ALA  64           H        ALA  64  13.760   4.317  19.145
  476    HA   ALA  64           HA       ALA  64  14.549   1.661  18.491
  477   1HB   ALA  64          HB1       ALA  64  15.824   3.652  17.777
  478   2HB   ALA  64          HB2       ALA  64  16.204   4.053  19.464
  479   3HB   ALA  64          HB3       ALA  64  16.879   2.596  18.733
  480    H    GLY  65           H        GLY  65  14.972   3.514  21.562
  481   1HA   GLY  65          HA2       GLY  65  16.126   1.455  23.106
  482   2HA   GLY  65          HA3       GLY  65  15.154   2.807  23.720
  483    H    LYS  66           H        LYS  66  12.745   2.004  22.198
  484    HA   LYS  66           HA       LYS  66  11.411   0.505  24.110
  485   1HB   LYS  66          HB2       LYS  66  10.680   2.067  22.059
  486   2HB   LYS  66          HB3       LYS  66  10.465   0.539  21.237
  487   1HG   LYS  66          HG2       LYS  66   8.626  -0.047  22.571
  488   2HG   LYS  66          HG3       LYS  66   9.228   0.845  23.970
  489   1HD   LYS  66          HD2       LYS  66   7.277   1.978  23.184
  490   2HD   LYS  66          HD3       LYS  66   8.685   2.999  22.882
  491   1HE   LYS  66          HE2       LYS  66   8.664   2.156  20.472
  492   2HE   LYS  66          HE3       LYS  66   7.167   1.305  20.854
  493   1HZ   LYS  66          HZ1       LYS  66   6.222   3.522  21.459
  494   2HZ   LYS  66          HZ2       LYS  66   7.562   4.259  20.848
  495   3HZ   LYS  66          HZ3       LYS  66   6.595   3.377  19.882
  496    H    TYR  67           H        TYR  67  13.196  -0.645  21.284
  497    HA   TYR  67           HA       TYR  67  12.616  -3.453  22.158
  498   1HB   TYR  67          HB2       TYR  67  13.520  -2.817  19.380
  499   2HB   TYR  67          HB3       TYR  67  12.583  -4.185  19.958
  500    HD1  TYR  67           HD1      TYR  67  12.535  -0.913  18.463
  501    HD2  TYR  67           HD2      TYR  67  10.110  -3.681  20.719
  502    HE1  TYR  67           HE1      TYR  67  10.572   0.434  17.971
  503    HE2  TYR  67           HE2      TYR  67   8.092  -2.349  20.184
  504    HH   TYR  67           HH       TYR  67   7.264  -0.445  19.146
  505    H    GLY  68           H        GLY  68  14.912  -1.321  22.738
  506   1HA   GLY  68          HA2       GLY  68  17.137  -1.417  23.193
  507   2HA   GLY  68          HA3       GLY  68  17.041  -3.180  23.046
  508    H    VAL  69           H        VAL  69  16.236  -0.935  20.380
  509    HA   VAL  69           HA       VAL  69  18.258  -2.054  18.601
  510    HB   VAL  69           HB       VAL  69  16.528   0.442  18.349
  511   1HG1  VAL  69          HG11      VAL  69  18.146  -1.074  16.276
  512   2HG1  VAL  69          HG12      VAL  69  16.960   0.198  15.904
  513   3HG1  VAL  69          HG13      VAL  69  18.410   0.588  16.830
  514   1HG2  VAL  69          HG21      VAL  69  16.007  -2.375  17.341
  515   2HG2  VAL  69          HG22      VAL  69  15.052  -1.452  18.519
  516   3HG2  VAL  69          HG23      VAL  69  15.093  -0.932  16.840
  517    H    MET  70           H        MET  70  20.357  -1.462  18.650
  518    HA   MET  70           HA       MET  70  21.164   1.213  19.701
  519   1HB   MET  70          HB2       MET  70  22.338  -1.513  20.390
  520   2HB   MET  70          HB3       MET  70  23.108   0.030  20.775
  521   1HG   MET  70          HG2       MET  70  21.148   0.693  22.136
  522   2HG   MET  70          HG3       MET  70  20.384  -0.852  21.778
  523   1HE   MET  70          HE1       MET  70  24.189   0.013  22.825
  524   2HE   MET  70          HE2       MET  70  23.115   1.055  23.787
  525   3HE   MET  70          HE3       MET  70  24.034  -0.247  24.573
  526    H    SER  71           H        SER  71  21.035  -0.596  17.000
  527    HA   SER  71           HA       SER  71  23.386   0.597  15.781
  528   1HB   SER  71          HB2       SER  71  22.745  -2.385  15.552
  529   2HB   SER  71          HB3       SER  71  24.050  -1.527  14.720
  530    HG   SER  71           HG       SER  71  24.780  -2.661  16.575
  531    H    ILE  72           H        ILE  72  23.112   0.454  13.342
  532    HA   ILE  72           HA       ILE  72  20.433  -0.208  12.412
  533    HB   ILE  72           HB       ILE  72  20.238   1.931  11.174
  534   1HG1  ILE  72          HG12      ILE  72  22.367   3.028  13.066
  535   2HG1  ILE  72          HG13      ILE  72  22.642   2.659  11.361
  536   1HG2  ILE  72          HG21      ILE  72  19.181   3.135  12.966
  537   2HG2  ILE  72          HG22      ILE  72  19.011   1.417  13.317
  538   3HG2  ILE  72          HG23      ILE  72  20.227   2.376  14.183
  539   1HD1  ILE  72          HD11      ILE  72  22.228   5.034  11.592
  540   2HD1  ILE  72          HD12      ILE  72  20.876   4.281  10.727
  541   3HD1  ILE  72          HD13      ILE  72  20.697   4.747  12.433
  542    HA   PRO  73           HA       PRO  73  19.504   0.247  10.006
  543   1HB   PRO  73          HB2       PRO  73  18.982  -1.717   8.179
  544   2HB   PRO  73          HB3       PRO  73  19.681  -0.134   7.739
  545   1HG   PRO  73          HG2       PRO  73  21.124  -2.759   8.191
  546   2HG   PRO  73          HG3       PRO  73  21.353  -1.590   6.855
  547   1HD   PRO  73          HD2       PRO  73  22.991  -1.653   9.049
  548   2HD   PRO  73          HD3       PRO  73  22.572  -0.120   8.234
  549    H    THR  74           H        THR  74  17.872  -0.696  11.157
  550    HA   THR  74           HA       THR  74  18.117  -3.571  11.891
  551    HB   THR  74           HB       THR  74  17.572  -1.262  13.797
  552    HG1  THR  74           HG1      THR  74  19.560  -1.626  14.284
  553   1HG2  THR  74          HG21      THR  74  17.363  -3.129  15.525
  554   2HG2  THR  74          HG22      THR  74  15.990  -2.967  14.422
  555   3HG2  THR  74          HG23      THR  74  17.176  -4.263  14.178
  556    H    LEU  75           H        LEU  75  16.127  -4.630  11.990
  557    HA   LEU  75           HA       LEU  75  13.936  -3.175  10.602
  558   1HB   LEU  75          HB2       LEU  75  14.919  -6.010  10.173
  559   2HB   LEU  75          HB3       LEU  75  13.550  -5.266   9.364
  560    HG   LEU  75           HG       LEU  75  16.478  -4.453   9.067
  561   1HD1  LEU  75          HD11      LEU  75  14.595  -5.859   7.130
  562   2HD1  LEU  75          HD12      LEU  75  16.283  -5.398   6.818
  563   3HD1  LEU  75          HD13      LEU  75  15.919  -6.624   8.035
  564   1HD2  LEU  75          HD21      LEU  75  15.136  -2.474   8.730
  565   2HD2  LEU  75          HD22      LEU  75  15.696  -3.047   7.162
  566   3HD2  LEU  75          HD23      LEU  75  14.016  -3.338   7.661
  567    H    LEU  76           H        LEU  76  11.978  -3.417  11.603
  568    HA   LEU  76           HA       LEU  76  11.693  -5.555  13.716
  569   1HB   LEU  76          HB2       LEU  76  10.797  -2.649  13.712
  570   2HB   LEU  76          HB3       LEU  76   9.924  -3.865  14.613
  571    HG   LEU  76           HG       LEU  76  11.513  -2.467  15.976
  572   1HD1  LEU  76          HD11      LEU  76  10.683  -4.614  16.793
  573   2HD1  LEU  76          HD12      LEU  76  11.981  -5.484  15.952
  574   3HD1  LEU  76          HD13      LEU  76  12.363  -4.384  17.291
  575   1HD2  LEU  76          HD21      LEU  76  13.861  -2.861  15.953
  576   2HD2  LEU  76          HD22      LEU  76  13.728  -4.135  14.732
  577   3HD2  LEU  76          HD23      LEU  76  13.395  -2.450  14.293
  578    H    VAL  77           H        VAL  77  10.142  -6.949  13.106
  579    HA   VAL  77           HA       VAL  77   8.378  -6.164  10.823
  580    HB   VAL  77           HB       VAL  77   8.664  -8.942  11.978
  581   1HG1  VAL  77          HG11      VAL  77   6.707  -8.468  10.528
  582   2HG1  VAL  77          HG12      VAL  77   7.796  -7.936   9.233
  583   3HG1  VAL  77          HG13      VAL  77   7.807  -9.629   9.773
  584   1HG2  VAL  77          HG21      VAL  77  10.190  -9.539  10.157
  585   2HG2  VAL  77          HG22      VAL  77  10.327  -7.835   9.678
  586   3HG2  VAL  77          HG23      VAL  77  10.949  -8.386  11.251
  587    H    LEU  78           H        LEU  78   6.266  -5.765  11.409
  588    HA   LEU  78           HA       LEU  78   5.403  -6.535  14.144
  589   1HB   LEU  78          HB2       LEU  78   4.774  -3.913  12.707
  590   2HB   LEU  78          HB3       LEU  78   4.083  -4.465  14.224
  591    HG   LEU  78           HG       LEU  78   6.736  -4.641  14.859
  592   1HD1  LEU  78          HD11      LEU  78   7.963  -2.733  14.032
  593   2HD1  LEU  78          HD12      LEU  78   7.429  -3.696  12.654
  594   3HD1  LEU  78          HD13      LEU  78   6.588  -2.202  13.054
  595   1HD2  LEU  78          HD21      LEU  78   6.488  -2.567  16.091
  596   2HD2  LEU  78          HD22      LEU  78   5.082  -2.105  15.106
  597   3HD2  LEU  78          HD23      LEU  78   4.996  -3.504  16.187
  598    H    LYS  79           H        LYS  79   3.136  -6.944  14.288
  599    HA   LYS  79           HA       LYS  79   1.687  -7.104  11.719
  600   1HB   LYS  79          HB2       LYS  79   2.668  -9.334  12.042
  601   2HB   LYS  79          HB3       LYS  79   1.899  -9.465  13.639
  602   1HG   LYS  79          HG2       LYS  79  -0.313  -9.357  12.595
  603   2HG   LYS  79          HG3       LYS  79   0.424  -9.032  11.009
  604   1HD   LYS  79          HD2       LYS  79   1.483 -11.263  11.039
  605   2HD   LYS  79          HD3       LYS  79   0.726 -11.607  12.612
  606   1HE   LYS  79          HE2       LYS  79  -1.511 -11.380  11.625
  607   2HE   LYS  79          HE3       LYS  79  -0.817 -10.868  10.082
  608   1HZ   LYS  79          HZ1       LYS  79   0.171 -13.044   9.838
  609   2HZ   LYS  79          HZ2       LYS  79  -0.444 -13.549  11.280
  610   3HZ   LYS  79          HZ3       LYS  79  -1.445 -13.194  10.041
  611    H    ASP  80           H        ASP  80  -0.094  -6.012  12.002
  612    HA   ASP  80           HA       ASP  80  -1.845  -4.953  12.906
  613   1HB   ASP  80          HB2       ASP  80  -2.639  -7.280  12.835
  614   2HB   ASP  80          HB3       ASP  80  -2.127  -7.515  14.507
  615    H    GLY  81           H        GLY  81   0.556  -4.150  14.044
  616   1HA   GLY  81          HA2       GLY  81   0.723  -2.301  15.420
  617   2HA   GLY  81          HA3       GLY  81  -0.527  -2.923  16.488
  618    H    GLU  82           H        GLU  82   1.550  -5.563  16.209
  619    HA   GLU  82           HA       GLU  82   3.341  -4.575  18.370
  620   1HB   GLU  82          HB2       GLU  82   2.868  -6.489  19.658
  621   2HB   GLU  82          HB3       GLU  82   1.316  -5.800  19.152
  622   1HG   GLU  82          HG2       GLU  82   1.089  -7.540  17.417
  623   2HG   GLU  82          HG3       GLU  82   2.635  -8.244  17.900
  624    H    VAL  83           H        VAL  83   5.376  -5.688  18.553
  625    HA   VAL  83           HA       VAL  83   6.566  -6.370  16.033
  626    HB   VAL  83           HB       VAL  83   7.627  -6.842  18.843
  627   1HG1  VAL  83          HG11      VAL  83   9.060  -6.656  16.141
  628   2HG1  VAL  83          HG12      VAL  83   9.851  -6.781  17.728
  629   3HG1  VAL  83          HG13      VAL  83   8.879  -8.121  17.128
  630   1HG2  VAL  83          HG21      VAL  83   8.019  -4.461  16.967
  631   2HG2  VAL  83          HG22      VAL  83   7.127  -4.437  18.505
  632   3HG2  VAL  83          HG23      VAL  83   8.864  -4.723  18.502
  633    H    VAL  84           H        VAL  84   6.724  -8.168  15.022
  634    HA   VAL  84           HA       VAL  84   5.918 -10.702  16.325
  635    HB   VAL  84           HB       VAL  84   4.362  -9.502  14.631
  636   1HG1  VAL  84          HG11      VAL  84   6.308 -10.736  12.651
  637   2HG1  VAL  84          HG12      VAL  84   4.701 -10.116  12.265
  638   3HG1  VAL  84          HG13      VAL  84   5.943  -9.012  12.858
  639   1HG2  VAL  84          HG21      VAL  84   5.018 -12.434  14.351
  640   2HG2  VAL  84          HG22      VAL  84   3.884 -11.683  15.487
  641   3HG2  VAL  84          HG23      VAL  84   3.539 -11.633  13.752
  642    H    GLU  85           H        GLU  85   8.469  -8.987  14.509
  643    HA   GLU  85           HA       GLU  85  10.238 -11.201  15.080
  644   1HB   GLU  85          HB2       GLU  85   9.050 -11.093  12.419
  645   2HB   GLU  85          HB3       GLU  85  10.761 -10.763  12.290
  646   1HG   GLU  85          HG2       GLU  85   9.607 -13.203  13.701
  647   2HG   GLU  85          HG3       GLU  85  10.094 -13.142  12.010
  648    H    THR  86           H        THR  86  12.550 -10.594  14.199
  649    HA   THR  86           HA       THR  86  12.941  -7.699  13.788
  650    HB   THR  86           HB       THR  86  14.252  -9.260  16.049
  651    HG1  THR  86           HG1      THR  86  11.888  -8.039  15.914
  652   1HG2  THR  86          HG21      THR  86  15.728  -7.462  15.329
  653   2HG2  THR  86          HG22      THR  86  14.386  -6.299  15.334
  654   3HG2  THR  86          HG23      THR  86  14.976  -6.997  16.858
  655    H    SER  87           H        SER  87  14.997  -7.238  12.830
  656    HA   SER  87           HA       SER  87  16.968  -9.364  12.453
  657   1HB   SER  87          HB2       SER  87  15.380  -8.143  10.172
  658   2HB   SER  87          HB3       SER  87  17.069  -8.622   9.932
  659    HG   SER  87           HG       SER  87  15.129 -10.335  11.087
  660    H    VAL  88           H        VAL  88  19.049  -8.436  11.757
  661    HA   VAL  88           HA       VAL  88  19.291  -5.496  12.120
  662    HB   VAL  88           HB       VAL  88  21.006  -7.574  13.527
  663   1HG1  VAL  88          HG11      VAL  88  22.236  -5.500  13.055
  664   2HG1  VAL  88          HG12      VAL  88  20.924  -4.534  13.764
  665   3HG1  VAL  88          HG13      VAL  88  21.896  -5.616  14.781
  666   1HG2  VAL  88          HG21      VAL  88  18.815  -7.573  14.629
  667   2HG2  VAL  88          HG22      VAL  88  19.998  -6.763  15.651
  668   3HG2  VAL  88          HG23      VAL  88  18.838  -5.798  14.718
  669    H    GLY  89           H        GLY  89  20.896  -4.608  10.799
  670   1HA   GLY  89          HA2       GLY  89  22.647  -4.523   9.305
  671   2HA   GLY  89          HA3       GLY  89  22.927  -6.255   9.507
  672    H    PHE  90           H        PHE  90  23.257  -5.865   7.092
  673    HA   PHE  90           HA       PHE  90  21.062  -5.372   5.342
  674   1HB   PHE  90          HB2       PHE  90  23.455  -5.133   4.741
  675   2HB   PHE  90          HB3       PHE  90  23.674  -6.872   4.885
  676    HD1  PHE  90           HD1      PHE  90  22.226  -4.146   2.844
  677    HD2  PHE  90           HD2      PHE  90  22.844  -8.406   3.142
  678    HE1  PHE  90           HE1      PHE  90  21.546  -4.417   0.469
  679    HE2  PHE  90           HE2      PHE  90  22.161  -8.669   0.772
  680    HZ   PHE  90           HZ       PHE  90  21.505  -6.678  -0.566
  681    H    LYS  91           H        LYS  91  19.822  -6.840   4.086
  682    HA   LYS  91           HA       LYS  91  20.141  -9.716   4.392
  683   1HB   LYS  91          HB2       LYS  91  17.719  -8.260   5.416
  684   2HB   LYS  91          HB3       LYS  91  17.451  -9.676   4.394
  685   1HG   LYS  91          HG2       LYS  91  19.026 -10.980   5.885
  686   2HG   LYS  91          HG3       LYS  91  18.979  -9.609   7.017
  687   1HD   LYS  91          HD2       LYS  91  16.575  -9.889   7.326
  688   2HD   LYS  91          HD3       LYS  91  16.495 -11.011   5.965
  689   1HE   LYS  91          HE2       LYS  91  16.346 -12.382   7.873
  690   2HE   LYS  91          HE3       LYS  91  17.971 -12.613   7.221
  691   1HZ   LYS  91          HZ1       LYS  91  17.199 -11.015   9.583
  692   2HZ   LYS  91          HZ2       LYS  91  18.059 -12.396   9.581
  693   3HZ   LYS  91          HZ3       LYS  91  18.741 -11.044   8.974
  694    HA   PRO  92           HA       PRO  92  19.262  -8.828   0.052
  695   1HB   PRO  92          HB2       PRO  92  19.068 -11.372  -0.954
  696   2HB   PRO  92          HB3       PRO  92  20.625 -10.640  -0.461
  697   1HG   PRO  92          HG2       PRO  92  18.854 -12.505   1.146
  698   2HG   PRO  92          HG3       PRO  92  20.622 -12.617   0.877
  699   1HD   PRO  92          HD2       PRO  92  19.564 -11.499   3.132
  700   2HD   PRO  92          HD3       PRO  92  21.057 -10.859   2.386
  701    H    LYS  93           H        LYS  93  17.449  -9.109  -1.469
  702    HA   LYS  93           HA       LYS  93  14.966  -8.823  -0.198
  703   1HB   LYS  93          HB2       LYS  93  13.975  -8.999  -2.500
  704   2HB   LYS  93          HB3       LYS  93  15.197  -7.767  -2.269
  705   1HG   LYS  93          HG2       LYS  93  16.886  -9.325  -3.358
  706   2HG   LYS  93          HG3       LYS  93  15.538 -10.433  -3.701
  707   1HD   LYS  93          HD2       LYS  93  14.399  -8.605  -4.960
  708   2HD   LYS  93          HD3       LYS  93  15.769  -7.522  -4.598
  709   1HE   LYS  93          HE2       LYS  93  17.299  -8.950  -5.849
  710   2HE   LYS  93          HE3       LYS  93  16.048 -10.180  -6.085
  711   1HZ   LYS  93          HZ1       LYS  93  14.851  -8.660  -7.485
  712   2HZ   LYS  93          HZ2       LYS  93  15.879  -7.423  -7.172
  713   3HZ   LYS  93          HZ3       LYS  93  16.387  -8.729  -8.030
  714    H    GLU  94           H        GLU  94  16.377 -11.808  -1.470
  715    HA   GLU  94           HA       GLU  94  13.972 -13.331  -1.343
  716   1HB   GLU  94          HB2       GLU  94  16.040 -14.055  -2.499
  717   2HB   GLU  94          HB3       GLU  94  16.862 -14.232  -0.941
  718   1HG   GLU  94          HG2       GLU  94  15.243 -15.988  -0.277
  719   2HG   GLU  94          HG3       GLU  94  14.355 -15.759  -1.786
  720    H    ALA  95           H        ALA  95  16.572 -12.785   1.114
  721    HA   ALA  95           HA       ALA  95  15.342 -14.360   3.140
  722   1HB   ALA  95          HB1       ALA  95  17.739 -13.731   3.173
  723   2HB   ALA  95          HB2       ALA  95  17.284 -12.024   3.417
  724   3HB   ALA  95          HB3       ALA  95  16.915 -13.236   4.661
  725    H    LEU  96           H        LEU  96  15.148 -10.886   2.318
  726    HA   LEU  96           HA       LEU  96  13.477 -10.125   4.487
  727   1HB   LEU  96          HB2       LEU  96  13.809  -9.047   1.690
  728   2HB   LEU  96          HB3       LEU  96  12.791  -8.257   2.899
  729    HG   LEU  96           HG       LEU  96  15.803  -8.670   3.096
  730   1HD1  LEU  96          HD11      LEU  96  15.931  -6.250   2.756
  731   2HD1  LEU  96          HD12      LEU  96  15.118  -7.025   1.398
  732   3HD1  LEU  96          HD13      LEU  96  14.159  -6.154   2.614
  733   1HD2  LEU  96          HD21      LEU  96  14.880  -8.678   5.342
  734   2HD2  LEU  96          HD22      LEU  96  15.634  -7.115   5.045
  735   3HD2  LEU  96          HD23      LEU  96  13.866  -7.258   4.977
  736    H    GLN  97           H        GLN  97  12.605 -11.292   1.187
  737    HA   GLN  97           HA       GLN  97   9.798 -11.067   1.631
  738   1HB   GLN  97          HB2       GLN  97  11.545 -12.659  -0.264
  739   2HB   GLN  97          HB3       GLN  97   9.848 -13.117  -0.118
  740   1HG   GLN  97          HG2       GLN  97   9.039 -11.036  -0.824
  741   2HG   GLN  97          HG3       GLN  97  10.606 -10.239  -0.603
  742   1HE2  GLN  97          HE22      GLN  97  12.444 -11.053  -1.969
  743   2HE2  GLN  97          HE21      GLN  97  12.083 -11.472  -3.642
  744    H    GLU  98           H        GLU  98  12.104 -13.694   2.386
  745    HA   GLU  98           HA       GLU  98  10.059 -15.499   3.248
  746   1HB   GLU  98          HB2       GLU  98  13.026 -15.302   3.885
  747   2HB   GLU  98          HB3       GLU  98  12.010 -16.560   4.581
  748   1HG   GLU  98          HG2       GLU  98  12.303 -16.111   1.578
  749   2HG   GLU  98          HG3       GLU  98  13.287 -17.229   2.513
  750    H    LEU  99           H        LEU  99  11.933 -13.008   4.981
  751    HA   LEU  99           HA       LEU  99  10.972 -13.481   7.582
  752   1HB   LEU  99          HB2       LEU  99  12.985 -12.222   6.997
  753   2HB   LEU  99          HB3       LEU  99  12.027 -11.027   6.131
  754    HG   LEU  99           HG       LEU  99  10.955 -10.330   8.202
  755   1HD1  LEU  99          HD11      LEU  99  11.104 -12.304   9.613
  756   2HD1  LEU  99          HD12      LEU  99  12.877 -12.344   9.465
  757   3HD1  LEU  99          HD13      LEU  99  12.087 -11.051  10.386
  758   1HD2  LEU  99          HD21      LEU  99  12.940  -9.149   9.104
  759   2HD2  LEU  99          HD22      LEU  99  14.000 -10.284   8.237
  760   3HD2  LEU  99          HD23      LEU  99  12.943  -9.180   7.332
  761    H    VAL 100           H        VAL 100   9.625 -11.460   4.901
  762    HA   VAL 100           HA       VAL 100   7.345 -10.547   6.382
  763    HB   VAL 100           HB       VAL 100   7.868 -10.944   3.406
  764   1HG1  VAL 100          HG11      VAL 100   5.461 -10.874   3.674
  765   2HG1  VAL 100          HG12      VAL 100   5.574  -9.449   4.727
  766   3HG1  VAL 100          HG13      VAL 100   6.011  -9.338   3.005
  767   1HG2  VAL 100          HG21      VAL 100   9.306  -9.224   4.664
  768   2HG2  VAL 100          HG22      VAL 100   8.428  -8.680   3.248
  769   3HG2  VAL 100          HG23      VAL 100   7.820  -8.300   4.888
  770    H    ASN 101           H        ASN 101   7.917 -13.281   4.180
  771    HA   ASN 101           HA       ASN 101   5.307 -14.175   3.858
  772   1HB   ASN 101          HB2       ASN 101   7.244 -14.786   2.449
  773   2HB   ASN 101          HB3       ASN 101   7.873 -15.806   3.751
  774   1HD2  ASN 101          HD22      ASN 101   5.806 -15.650   1.026
  775   2HD2  ASN 101          HD21      ASN 101   5.055 -17.217   1.201
  776    H    LYS 102           H        LYS 102   7.662 -15.096   6.369
  777    HA   LYS 102           HA       LYS 102   6.135 -17.286   7.382
  778   1HB   LYS 102          HB2       LYS 102   7.615 -17.208   9.323
  779   2HB   LYS 102          HB3       LYS 102   8.499 -17.133   7.796
  780   1HG   LYS 102          HG2       LYS 102   8.786 -14.703   8.057
  781   2HG   LYS 102          HG3       LYS 102   7.877 -14.741   9.558
  782   1HD   LYS 102          HD2       LYS 102  10.497 -16.222   9.103
  783   2HD   LYS 102          HD3       LYS 102  10.375 -14.603   9.806
  784   1HE   LYS 102          HE2       LYS 102   8.970 -15.477  11.645
  785   2HE   LYS 102          HE3       LYS 102   9.098 -17.109  10.974
  786   1HZ   LYS 102          HZ1       LYS 102  11.518 -16.961  11.327
  787   2HZ   LYS 102          HZ2       LYS 102  11.357 -15.487  12.042
  788   3HZ   LYS 102          HZ3       LYS 102  10.694 -16.815  12.721
  789    H    HIS 103           H        HIS 103   5.300 -14.023   7.531
  790    HA   HIS 103           HA       HIS 103   3.452 -14.571   9.819
  791   1HB   HIS 103          HB2       HIS 103   4.752 -11.934   9.038
  792   2HB   HIS 103          HB3       HIS 103   3.539 -12.143  10.301
  793    HD1  HIS 103           HD1      HIS 103   4.386 -14.098  12.280
  794    HD2  HIS 103           HD2      HIS 103   7.221 -12.184   9.827
  795    HE1  HIS 103           HE1      HIS 103   6.647 -14.424  13.406
  796    H    LEU 104           H        LEU 104   3.519 -14.139   6.469
  797    HA   LEU 104           HA       LEU 104   1.143 -12.546   6.143
  798   1HB   LEU 104          HB2       LEU 104   2.480 -14.631   4.377
  799   2HB   LEU 104          HB3       LEU 104   1.038 -13.738   3.905
  800    HG   LEU 104           HG       LEU 104   3.779 -12.543   4.460
  801   1HD1  LEU 104          HD11      LEU 104   3.786 -12.045   2.066
  802   2HD1  LEU 104          HD12      LEU 104   3.549 -13.782   2.312
  803   3HD1  LEU 104          HD13      LEU 104   2.169 -12.754   1.882
  804   1HD2  LEU 104          HD21      LEU 104   2.158 -10.882   5.152
  805   2HD2  LEU 104          HD22      LEU 104   2.777 -10.411   3.574
  806   3HD2  LEU 104          HD23      LEU 104   1.171 -11.169   3.700
  Start of MODEL   19
    1   1H    MET   1          H1        MET   1   1.952  -1.462   1.283
    2   2H    MET   1          H2        MET   1   0.739  -0.361   1.109
    3   3H    MET   1          H3        MET   1   0.705  -1.809   0.298
    4    HA   MET   1           HA       MET   1   2.623  -1.228  -0.975
    5   1HB   MET   1          HB2       MET   1   0.386   0.843  -1.087
    6   2HB   MET   1          HB3       MET   1   1.674   0.711  -2.284
    7   1HG   MET   1          HG2       MET   1   0.996  -1.611  -2.786
    8   2HG   MET   1          HG3       MET   1  -0.363  -1.461  -1.669
    9   1HE   MET   1          HE1       MET   1  -2.528  -0.089  -2.097
   10   2HE   MET   1          HE2       MET   1  -1.603   1.428  -2.209
   11   3HE   MET   1          HE3       MET   1  -2.773   1.006  -3.474
   12    H    ALA   2           H        ALA   2   4.369   0.017  -1.343
   13    HA   ALA   2           HA       ALA   2   5.847   1.603  -1.406
   14   1HB   ALA   2          HB1       ALA   2   3.944   3.122  -1.897
   15   2HB   ALA   2          HB2       ALA   2   3.844   3.518  -0.163
   16   3HB   ALA   2          HB3       ALA   2   5.294   3.934  -1.091
   17    H    ILE   3           H        ILE   3   7.168   3.157  -0.213
   18    HA   ILE   3           HA       ILE   3   7.759   2.194   2.515
   19    HB   ILE   3           HB       ILE   3   9.323   4.069   0.654
   20   1HG1  ILE   3          HG12      ILE   3  11.061   2.153   0.786
   21   2HG1  ILE   3          HG13      ILE   3   9.742   1.122   1.314
   22   1HG2  ILE   3          HG21      ILE   3  10.093   2.868   3.352
   23   2HG2  ILE   3          HG22      ILE   3  11.162   3.827   2.306
   24   3HG2  ILE   3          HG23      ILE   3   9.756   4.583   3.028
   25   1HD1  ILE   3          HD11      ILE   3   9.787   2.635  -1.329
   26   2HD1  ILE   3          HD12      ILE   3  10.360   0.971  -1.102
   27   3HD1  ILE   3          HD13      ILE   3   8.655   1.339  -0.856
   28    H    VAL   4           H        VAL   4   7.503   3.580   4.208
   29    HA   VAL   4           HA       VAL   4   6.191   6.220   3.837
   30    HB   VAL   4           HB       VAL   4   5.429   3.978   5.759
   31   1HG1  VAL   4          HG11      VAL   4   4.101   6.671   5.285
   32   2HG1  VAL   4          HG12      VAL   4   3.364   5.329   6.183
   33   3HG1  VAL   4          HG13      VAL   4   4.826   6.058   6.801
   34   1HG2  VAL   4          HG21      VAL   4   4.019   4.912   3.222
   35   2HG2  VAL   4          HG22      VAL   4   4.696   3.297   3.540
   36   3HG2  VAL   4          HG23      VAL   4   3.285   3.843   4.433
   37    H    LYS   5           H        LYS   5   6.352   7.412   6.017
   38    HA   LYS   5           HA       LYS   5   8.912   6.786   7.411
   39   1HB   LYS   5          HB2       LYS   5   9.025   8.714   5.765
   40   2HB   LYS   5          HB3       LYS   5   7.915   9.587   6.815
   41   1HG   LYS   5          HG2       LYS   5   9.482   9.954   8.447
   42   2HG   LYS   5          HG3       LYS   5  10.272   8.389   8.234
   43   1HD   LYS   5          HD2       LYS   5  10.544  10.682   6.256
   44   2HD   LYS   5          HD3       LYS   5  11.693  10.369   7.572
   45   1HE   LYS   5          HE2       LYS   5  12.341   8.253   6.693
   46   2HE   LYS   5          HE3       LYS   5  10.944   8.154   5.634
   47   1HZ   LYS   5          HZ1       LYS   5  11.892   9.956   4.298
   48   2HZ   LYS   5          HZ2       LYS   5  13.179  10.091   5.289
   49   3HZ   LYS   5          HZ3       LYS   5  12.966   8.741   4.400
   50    H    ALA   6           H        ALA   6   8.771   7.216   9.697
   51    HA   ALA   6           HA       ALA   6   6.244   8.275  10.795
   52   1HB   ALA   6          HB1       ALA   6   5.810   5.842  10.541
   53   2HB   ALA   6          HB2       ALA   6   7.294   5.488  11.463
   54   3HB   ALA   6          HB3       ALA   6   5.923   6.305  12.246
   55    H    THR   7           H        THR   7   6.383   8.368  13.196
   56    HA   THR   7           HA       THR   7   9.077   8.393  14.369
   57    HB   THR   7           HB       THR   7   8.464  10.493  15.613
   58    HG1  THR   7           HG1      THR   7   6.463  10.639  13.606
   59   1HG2  THR   7          HG21      THR   7   9.129  12.073  13.905
   60   2HG2  THR   7          HG22      THR   7  10.041  10.569  13.697
   61   3HG2  THR   7          HG23      THR   7   8.689  10.937  12.608
   62    H    ASP   8           H        ASP   8   8.628   8.691  16.887
   63    HA   ASP   8           HA       ASP   8   6.973   6.734  17.957
   64   1HB   ASP   8          HB2       ASP   8   8.666   7.922  19.256
   65   2HB   ASP   8          HB3       ASP   8   7.761   9.430  19.100
   66    H    GLN   9           H        GLN   9   6.039   9.935  16.848
   67    HA   GLN   9           HA       GLN   9   3.523  10.198  18.124
   68   1HB   GLN   9          HB2       GLN   9   4.417  11.303  15.435
   69   2HB   GLN   9          HB3       GLN   9   3.122  11.938  16.440
   70   1HG   GLN   9          HG2       GLN   9   4.711  12.644  18.160
   71   2HG   GLN   9          HG3       GLN   9   6.060  11.911  17.285
   72   1HE2  GLN   9          HE22      GLN   9   6.379  12.682  14.955
   73   2HE2  GLN   9          HE21      GLN   9   6.188  14.407  14.680
   74    H    SER  10           H        SER  10   4.484   8.446  15.192
   75    HA   SER  10           HA       SER  10   1.643   7.853  14.531
   76   1HB   SER  10          HB2       SER  10   2.546   8.052  12.169
   77   2HB   SER  10          HB3       SER  10   2.521   9.542  13.137
   78    HG   SER  10           HG       SER  10   4.460   9.408  12.083
   79    H    PHE  11           H        PHE  11   4.773   6.433  15.082
   80    HA   PHE  11           HA       PHE  11   4.899   4.405  13.266
   81   1HB   PHE  11          HB2       PHE  11   6.646   5.064  14.901
   82   2HB   PHE  11          HB3       PHE  11   5.740   4.293  16.195
   83    HD1  PHE  11           HD1      PHE  11   5.887   1.874  16.511
   84    HD2  PHE  11           HD2      PHE  11   7.637   3.755  13.043
   85    HE1  PHE  11           HE1      PHE  11   7.104  -0.219  15.977
   86    HE2  PHE  11           HE2      PHE  11   8.853   1.678  12.525
   87    HZ   PHE  11           HZ       PHE  11   8.588  -0.331  13.994
   88    H    SER  12           H        SER  12   3.203   4.177  16.456
   89    HA   SER  12           HA       SER  12   2.493   1.483  16.192
   90   1HB   SER  12          HB2       SER  12   0.891   3.625  17.637
   91   2HB   SER  12          HB3       SER  12   0.996   1.899  18.034
   92    HG   SER  12           HG       SER  12   2.335   3.214  19.373
   93    H    ALA  13           H        ALA  13   0.823   4.387  14.980
   94    HA   ALA  13           HA       ALA  13  -1.546   2.964  14.177
   95   1HB   ALA  13          HB1       ALA  13  -2.081   5.024  12.929
   96   2HB   ALA  13          HB2       ALA  13  -1.575   5.408  14.585
   97   3HB   ALA  13          HB3       ALA  13  -0.450   5.652  13.227
   98    H    GLU  14           H        GLU  14   1.461   4.008  12.563
   99    HA   GLU  14           HA       GLU  14   0.692   3.117   9.979
  100   1HB   GLU  14          HB2       GLU  14   3.444   3.570  11.211
  101   2HB   GLU  14          HB3       GLU  14   3.226   3.076   9.539
  102   1HG   GLU  14          HG2       GLU  14   2.244   5.659  10.792
  103   2HG   GLU  14          HG3       GLU  14   3.560   5.465   9.633
  104    H    THR  15           H        THR  15   2.219   1.371  12.686
  105    HA   THR  15           HA       THR  15   2.672  -0.966  11.062
  106    HB   THR  15           HB       THR  15   3.561  -1.869  13.226
  107    HG1  THR  15           HG1      THR  15   3.343   0.800  14.116
  108   1HG2  THR  15          HG21      THR  15   5.543  -0.326  13.237
  109   2HG2  THR  15          HG22      THR  15   5.084  -0.880  11.621
  110   3HG2  THR  15          HG23      THR  15   4.678   0.764  12.144
  111    H    SER  16           H        SER  16  -0.186   0.130  12.163
  112    HA   SER  16           HA       SER  16  -1.132  -2.518  13.069
  113   1HB   SER  16          HB2       SER  16  -2.317   0.256  13.451
  114   2HB   SER  16          HB3       SER  16  -3.064  -1.259  13.995
  115    HG   SER  16           HG       SER  16  -0.694  -0.017  14.888
  116    H    GLU  17           H        GLU  17  -0.591  -1.989  10.284
  117    HA   GLU  17           HA       GLU  17  -3.318  -2.402   9.166
  118   1HB   GLU  17          HB2       GLU  17  -1.191  -0.567   8.011
  119   2HB   GLU  17          HB3       GLU  17  -2.676  -1.072   7.182
  120   1HG   GLU  17          HG2       GLU  17  -3.980  -0.124   9.159
  121   2HG   GLU  17          HG3       GLU  17  -2.470   0.626   9.692
  122    H    GLY  18           H        GLY  18  -1.992  -4.563   9.893
  123   1HA   GLY  18          HA2       GLY  18  -1.903  -6.641   8.731
  124   2HA   GLY  18          HA3       GLY  18  -1.323  -5.814   7.278
  125    H    VAL  19           H        VAL  19   0.496  -7.296   7.207
  126    HA   VAL  19           HA       VAL  19   2.536  -7.128   9.306
  127    HB   VAL  19           HB       VAL  19   2.677  -8.248   6.479
  128   1HG1  VAL  19          HG11      VAL  19   4.954  -7.459   7.130
  129   2HG1  VAL  19          HG12      VAL  19   4.792  -8.275   8.694
  130   3HG1  VAL  19          HG13      VAL  19   4.873  -9.220   7.196
  131   1HG2  VAL  19          HG21      VAL  19   1.319  -9.594   8.094
  132   2HG2  VAL  19          HG22      VAL  19   2.816 -10.425   7.650
  133   3HG2  VAL  19          HG23      VAL  19   2.690  -9.609   9.221
  134    H    VAL  20           H        VAL  20   4.179  -5.683   9.335
  135    HA   VAL  20           HA       VAL  20   4.520  -3.722   7.149
  136    HB   VAL  20           HB       VAL  20   4.146  -3.080  10.111
  137   1HG1  VAL  20          HG11      VAL  20   4.655  -1.261   7.712
  138   2HG1  VAL  20          HG12      VAL  20   4.201  -0.687   9.325
  139   3HG1  VAL  20          HG13      VAL  20   5.741  -1.516   9.095
  140   1HG2  VAL  20          HG21      VAL  20   2.311  -2.662   7.695
  141   2HG2  VAL  20          HG22      VAL  20   1.935  -3.474   9.225
  142   3HG2  VAL  20          HG23      VAL  20   2.112  -1.729   9.173
  143    H    LEU  21           H        LEU  21   6.716  -3.068   7.030
  144    HA   LEU  21           HA       LEU  21   8.604  -4.534   8.838
  145   1HB   LEU  21          HB2       LEU  21   8.470  -5.632   6.677
  146   2HB   LEU  21          HB3       LEU  21   8.712  -4.085   5.845
  147    HG   LEU  21           HG       LEU  21  10.978  -3.914   7.048
  148   1HD1  LEU  21          HD11      LEU  21  10.375  -6.773   7.745
  149   2HD1  LEU  21          HD12      LEU  21  11.989  -6.051   7.772
  150   3HD1  LEU  21          HD13      LEU  21  10.753  -5.411   8.858
  151   1HD2  LEU  21          HD21      LEU  21  12.104  -5.327   5.438
  152   2HD2  LEU  21          HD22      LEU  21  10.622  -6.283   5.179
  153   3HD2  LEU  21          HD23      LEU  21  10.706  -4.580   4.666
  154    H    ALA  22           H        ALA  22   9.286  -2.974  10.172
  155    HA   ALA  22           HA       ALA  22   9.547  -0.214   9.247
  156   1HB   ALA  22          HB1       ALA  22  10.045  -1.566  11.916
  157   2HB   ALA  22          HB2       ALA  22  10.230   0.175  11.613
  158   3HB   ALA  22          HB3       ALA  22   8.623  -0.587  11.474
  159    H    ASP  23           H        ASP  23  11.534   0.851   9.260
  160    HA   ASP  23           HA       ASP  23  14.051  -0.759   9.234
  161   1HB   ASP  23          HB2       ASP  23  13.531  -0.419   6.932
  162   2HB   ASP  23          HB3       ASP  23  13.018   1.244   7.211
  163    H    PHE  24           H        PHE  24  14.738  -0.072  11.189
  164    HA   PHE  24           HA       PHE  24  14.617   2.714  12.107
  165   1HB   PHE  24          HB2       PHE  24  15.784   0.140  13.251
  166   2HB   PHE  24          HB3       PHE  24  16.052   1.722  13.959
  167    HD1  PHE  24           HD1      PHE  24  14.572   2.472  15.635
  168    HD2  PHE  24           HD2      PHE  24  13.177  -0.464  12.798
  169    HE1  PHE  24           HE1      PHE  24  12.344   2.496  16.699
  170    HE2  PHE  24           HE2      PHE  24  10.958  -0.439  13.887
  171    HZ   PHE  24           HZ       PHE  24  10.505   1.091  15.774
  172    H    TRP  25           H        TRP  25  15.970   4.126  11.292
  173    HA   TRP  25           HA       TRP  25  18.663   3.425  10.445
  174   1HB   TRP  25          HB2       TRP  25  18.221   3.302   8.278
  175   2HB   TRP  25          HB3       TRP  25  16.513   3.376   8.600
  176    HD1  TRP  25           HD1      TRP  25  19.262   5.220   6.905
  177    HE1  TRP  25           HE1      TRP  25  18.407   7.387   5.869
  178    HE3  TRP  25           HE3      TRP  25  14.782   5.558   9.314
  179    HZ2  TRP  25           HZ2      TRP  25  16.313   9.296   6.407
  180    HZ3  TRP  25           HZ3      TRP  25  13.426   7.647   9.144
  181    HH2  TRP  25           HH2      TRP  25  14.234   9.546   7.752
  182    H    ALA  26           H        ALA  26  19.468   5.737   9.328
  183    HA   ALA  26           HA       ALA  26  18.235   8.080  10.389
  184   1HB   ALA  26          HB1       ALA  26  21.023   7.335  11.396
  185   2HB   ALA  26          HB2       ALA  26  20.251   8.929  11.592
  186   3HB   ALA  26          HB3       ALA  26  19.568   7.518  12.406
  187    HA   PRO  27           HA       PRO  27  20.032   9.016   6.514
  188   1HB   PRO  27          HB2       PRO  27  20.243  11.783   6.472
  189   2HB   PRO  27          HB3       PRO  27  18.742  10.837   6.257
  190   1HG   PRO  27          HG2       PRO  27  19.774  12.175   8.767
  191   2HG   PRO  27          HG3       PRO  27  18.092  12.121   8.136
  192   1HD   PRO  27          HD2       PRO  27  18.975  10.476  10.138
  193   2HD   PRO  27          HD3       PRO  27  17.759   9.946   8.936
  194    H    TRP  28           H        TRP  28  21.981   9.792   9.320
  195    HA   TRP  28           HA       TRP  28  24.341  10.479   7.788
  196   1HB   TRP  28          HB2       TRP  28  25.565  10.158   9.824
  197   2HB   TRP  28          HB3       TRP  28  24.118  11.087  10.152
  198    HD1  TRP  28           HD1      TRP  28  22.435  10.120  11.883
  199    HE1  TRP  28           HE1      TRP  28  22.462   8.189  13.545
  200    HE3  TRP  28           HE3      TRP  28  26.493   7.563  10.075
  201    HZ2  TRP  28           HZ2      TRP  28  23.963   5.742  13.958
  202    HZ3  TRP  28           HZ3      TRP  28  27.171   5.416  11.102
  203    HH2  TRP  28           HH2      TRP  28  25.912   4.490  13.036
  204    H    CYS  29           H        CYS  29  22.631   7.525   8.354
  205    HA   CYS  29           HA       CYS  29  24.679   5.642   8.633
  206   1HB   CYS  29          HB2       CYS  29  22.186   5.398   9.029
  207   2HB   CYS  29          HB3       CYS  29  21.980   5.348   7.303
  208    H    GLY  30           H        GLY  30  25.598   4.135   7.145
  209   1HA   GLY  30          HA2       GLY  30  25.765   5.019   4.299
  210   2HA   GLY  30          HA3       GLY  30  26.933   4.009   5.152
  211    HA   PRO  31           HA       PRO  31  24.993   0.281   3.836
  212   1HB   PRO  31          HB2       PRO  31  24.196  -0.474   6.646
  213   2HB   PRO  31          HB3       PRO  31  25.015  -1.467   5.405
  214   1HG   PRO  31          HG2       PRO  31  26.448  -0.341   7.408
  215   2HG   PRO  31          HG3       PRO  31  27.075  -0.300   5.728
  216   1HD   PRO  31          HD2       PRO  31  25.676   1.894   7.265
  217   2HD   PRO  31          HD3       PRO  31  27.116   1.993   6.206
  218    H    CYS  32           H        CYS  32  22.923   2.103   6.127
  219    HA   CYS  32           HA       CYS  32  20.433   0.976   5.461
  220   1HB   CYS  32          HB2       CYS  32  20.917   3.913   5.969
  221   2HB   CYS  32          HB3       CYS  32  19.441   2.998   6.212
  222    H    LYS  33           H        LYS  33  22.483   3.216   3.590
  223    HA   LYS  33           HA       LYS  33  20.404   4.016   1.751
  224   1HB   LYS  33          HB2       LYS  33  23.418   4.107   1.339
  225   2HB   LYS  33          HB3       LYS  33  22.205   5.055   0.493
  226   1HG   LYS  33          HG2       LYS  33  22.855   5.299   3.468
  227   2HG   LYS  33          HG3       LYS  33  23.508   6.323   2.198
  228   1HD   LYS  33          HD2       LYS  33  21.348   7.280   1.715
  229   2HD   LYS  33          HD3       LYS  33  20.513   6.090   2.715
  230   1HE   LYS  33          HE2       LYS  33  20.691   8.324   3.806
  231   2HE   LYS  33          HE3       LYS  33  21.382   7.001   4.752
  232   1HZ   LYS  33          HZ1       LYS  33  22.740   9.044   4.676
  233   2HZ   LYS  33          HZ2       LYS  33  23.541   7.699   4.233
  234   3HZ   LYS  33          HZ3       LYS  33  23.045   8.792   3.083
  235    H    MET  34           H        MET  34  22.922   1.439   1.853
  236    HA   MET  34           HA       MET  34  22.493   0.731  -0.878
  237   1HB   MET  34          HB2       MET  34  24.179  -0.750  -0.663
  238   2HB   MET  34          HB3       MET  34  24.551   0.338   0.670
  239   1HG   MET  34          HG2       MET  34  23.347  -1.369   2.174
  240   2HG   MET  34          HG3       MET  34  23.361  -2.449   0.786
  241   1HE   MET  34          HE1       MET  34  26.071  -3.862   3.294
  242   2HE   MET  34          HE2       MET  34  24.499  -3.102   3.639
  243   3HE   MET  34          HE3       MET  34  24.652  -4.277   2.310
  244    H    ILE  35           H        ILE  35  21.056  -0.404   2.161
  245    HA   ILE  35           HA       ILE  35  19.565  -2.487   0.830
  246    HB   ILE  35           HB       ILE  35  20.266  -2.629   3.168
  247   1HG1  ILE  35          HG12      ILE  35  17.243  -2.865   3.045
  248   2HG1  ILE  35          HG13      ILE  35  18.325  -3.963   2.174
  249   1HG2  ILE  35          HG21      ILE  35  19.833  -0.337   3.863
  250   2HG2  ILE  35          HG22      ILE  35  18.077  -0.603   3.755
  251   3HG2  ILE  35          HG23      ILE  35  19.059  -1.474   4.956
  252   1HD1  ILE  35          HD11      ILE  35  19.388  -4.622   4.305
  253   2HD1  ILE  35          HD12      ILE  35  18.262  -3.565   5.191
  254   3HD1  ILE  35          HD13      ILE  35  17.647  -4.954   4.283
  255    H    ALA  36           H        ALA  36  19.037   0.971   1.100
  256    HA   ALA  36           HA       ALA  36  16.255   1.059   1.093
  257   1HB   ALA  36          HB1       ALA  36  17.686   3.038   1.355
  258   2HB   ALA  36          HB2       ALA  36  18.122   2.965  -0.366
  259   3HB   ALA  36          HB3       ALA  36  16.445   3.273   0.110
  260    HA   PRO  37           HA       PRO  37  15.945   0.596  -3.635
  261   1HB   PRO  37          HB2       PRO  37  17.943  -0.684  -5.055
  262   2HB   PRO  37          HB3       PRO  37  17.801   1.091  -4.876
  263   1HG   PRO  37          HG2       PRO  37  19.504  -0.819  -3.251
  264   2HG   PRO  37          HG3       PRO  37  19.987   0.742  -3.990
  265   1HD   PRO  37          HD2       PRO  37  19.323   0.593  -1.387
  266   2HD   PRO  37          HD3       PRO  37  18.792   1.985  -2.365
  267    H    VAL  38           H        VAL  38  17.586  -1.817  -1.622
  268    HA   VAL  38           HA       VAL  38  16.361  -4.095  -2.866
  269    HB   VAL  38           HB       VAL  38  17.388  -3.896  -0.006
  270   1HG1  VAL  38          HG11      VAL  38  16.096  -5.940  -0.541
  271   2HG1  VAL  38          HG12      VAL  38  17.174  -6.232  -1.928
  272   3HG1  VAL  38          HG13      VAL  38  17.805  -6.295  -0.264
  273   1HG2  VAL  38          HG21      VAL  38  19.210  -3.141  -1.497
  274   2HG2  VAL  38          HG22      VAL  38  19.549  -4.763  -0.905
  275   3HG2  VAL  38          HG23      VAL  38  18.942  -4.537  -2.557
  276    H    LEU  39           H        LEU  39  15.479  -1.907  -0.113
  277    HA   LEU  39           HA       LEU  39  13.006  -3.214   0.435
  278   1HB   LEU  39          HB2       LEU  39  13.924  -0.353   0.912
  279   2HB   LEU  39          HB3       LEU  39  12.398  -0.988   1.498
  280    HG   LEU  39           HG       LEU  39  15.112  -2.162   2.212
  281   1HD1  LEU  39          HD11      LEU  39  14.838  -1.066   4.398
  282   2HD1  LEU  39          HD12      LEU  39  14.892   0.120   3.087
  283   3HD1  LEU  39          HD13      LEU  39  13.336  -0.295   3.839
  284   1HD2  LEU  39          HD21      LEU  39  12.358  -2.663   3.430
  285   2HD2  LEU  39          HD22      LEU  39  13.279  -3.814   2.438
  286   3HD2  LEU  39          HD23      LEU  39  13.895  -3.328   4.019
  287    H    GLU  40           H        GLU  40  13.836  -0.622  -1.918
  288    HA   GLU  40           HA       GLU  40  11.140  -0.272  -2.783
  289   1HB   GLU  40          HB2       GLU  40  13.754   0.117  -4.284
  290   2HB   GLU  40          HB3       GLU  40  12.167   0.515  -4.946
  291   1HG   GLU  40          HG2       GLU  40  11.745   2.055  -3.047
  292   2HG   GLU  40          HG3       GLU  40  13.351   1.714  -2.407
  293    H    GLU  41           H        GLU  41  13.644  -2.618  -3.876
  294    HA   GLU  41           HA       GLU  41  11.964  -3.880  -5.810
  295   1HB   GLU  41          HB2       GLU  41  14.357  -4.859  -4.222
  296   2HB   GLU  41          HB3       GLU  41  13.465  -5.894  -5.345
  297   1HG   GLU  41          HG2       GLU  41  13.916  -4.361  -7.199
  298   2HG   GLU  41          HG3       GLU  41  14.777  -3.263  -6.117
  299    H    LEU  42           H        LEU  42  12.349  -4.351  -2.307
  300    HA   LEU  42           HA       LEU  42  10.671  -6.626  -2.117
  301   1HB   LEU  42          HB2       LEU  42  12.237  -5.842  -0.316
  302   2HB   LEU  42          HB3       LEU  42  11.171  -4.472  -0.012
  303    HG   LEU  42           HG       LEU  42   9.325  -6.034   0.587
  304   1HD1  LEU  42          HD11      LEU  42   9.891  -8.412   1.062
  305   2HD1  LEU  42          HD12      LEU  42   9.991  -8.053  -0.669
  306   3HD1  LEU  42          HD13      LEU  42  11.480  -8.177   0.301
  307   1HD2  LEU  42          HD21      LEU  42  11.922  -6.419   2.122
  308   2HD2  LEU  42          HD22      LEU  42  10.783  -5.069   2.307
  309   3HD2  LEU  42          HD23      LEU  42  10.285  -6.710   2.753
  310    H    ASP  43           H        ASP  43   9.889  -3.096  -1.887
  311    HA   ASP  43           HA       ASP  43   7.109  -3.358  -1.463
  312   1HB   ASP  43          HB2       ASP  43   8.247  -1.164  -1.423
  313   2HB   ASP  43          HB3       ASP  43   8.564  -1.299  -3.171
  314    H    GLN  44           H        GLN  44   8.992  -3.362  -4.489
  315    HA   GLN  44           HA       GLN  44   6.695  -3.543  -6.177
  316   1HB   GLN  44          HB2       GLN  44   9.645  -4.053  -6.659
  317   2HB   GLN  44          HB3       GLN  44   8.431  -4.097  -7.946
  318   1HG   GLN  44          HG2       GLN  44   7.811  -1.795  -7.597
  319   2HG   GLN  44          HG3       GLN  44   8.740  -1.674  -6.104
  320   1HE2  GLN  44          HE22      GLN  44  11.040  -1.633  -6.204
  321   2HE2  GLN  44          HE21      GLN  44  11.901  -1.188  -7.679
  322    H    GLU  45           H        GLU  45   8.054  -5.942  -4.188
  323    HA   GLU  45           HA       GLU  45   6.902  -8.171  -5.775
  324   1HB   GLU  45          HB2       GLU  45   9.101  -7.958  -3.696
  325   2HB   GLU  45          HB3       GLU  45   8.394  -9.514  -4.187
  326   1HG   GLU  45          HG2       GLU  45   8.936  -9.090  -6.546
  327   2HG   GLU  45          HG3       GLU  45   9.564  -7.497  -6.152
  328    H    MET  46           H        MET  46   6.727  -6.536  -2.650
  329    HA   MET  46           HA       MET  46   4.586  -8.452  -1.807
  330   1HB   MET  46          HB2       MET  46   6.571  -6.932  -0.076
  331   2HB   MET  46          HB3       MET  46   5.423  -8.152   0.459
  332   1HG   MET  46          HG2       MET  46   7.840  -8.568  -1.337
  333   2HG   MET  46          HG3       MET  46   7.677  -9.063   0.341
  334   1HE   MET  46          HE1       MET  46   4.955 -10.458   0.667
  335   2HE   MET  46          HE2       MET  46   5.373 -12.132   0.234
  336   3HE   MET  46          HE3       MET  46   6.527 -11.154   1.173
  337    H    GLY  47           H        GLY  47   5.003  -5.149  -2.595
  338   1HA   GLY  47          HA2       GLY  47   3.850  -3.778  -0.488
  339   2HA   GLY  47          HA3       GLY  47   3.800  -3.290  -2.188
  340    H    ASP  48           H        ASP  48   2.176  -5.969  -2.553
  341    HA   ASP  48           HA       ASP  48  -0.461  -4.810  -2.487
  342   1HB   ASP  48          HB2       ASP  48   0.190  -6.479  -4.159
  343   2HB   ASP  48          HB3       ASP  48   0.511  -7.664  -2.889
  344    H    LYS  49           H        LYS  49   1.485  -6.733  -0.288
  345    HA   LYS  49           HA       LYS  49  -0.728  -6.852   1.717
  346   1HB   LYS  49          HB2       LYS  49   1.654  -8.707   1.255
  347   2HB   LYS  49          HB3       LYS  49   0.493  -8.873   2.558
  348   1HG   LYS  49          HG2       LYS  49  -0.352  -9.032  -0.364
  349   2HG   LYS  49          HG3       LYS  49   0.303 -10.401   0.515
  350   1HD   LYS  49          HD2       LYS  49  -1.975 -10.753   0.741
  351   2HD   LYS  49          HD3       LYS  49  -1.507 -10.055   2.277
  352   1HE   LYS  49          HE2       LYS  49  -3.505  -8.973   1.802
  353   2HE   LYS  49          HE3       LYS  49  -2.310  -7.781   1.300
  354   1HZ   LYS  49          HZ1       LYS  49  -4.028  -8.010  -0.342
  355   2HZ   LYS  49          HZ2       LYS  49  -2.644  -8.560  -1.012
  356   3HZ   LYS  49          HZ3       LYS  49  -3.788  -9.614  -0.492
  357    H    LEU  50           H        LEU  50   2.530  -5.754   1.035
  358    HA   LEU  50           HA       LEU  50   3.108  -5.447   3.913
  359   1HB   LEU  50          HB2       LEU  50   4.596  -6.765   2.366
  360   2HB   LEU  50          HB3       LEU  50   4.896  -5.287   1.453
  361    HG   LEU  50           HG       LEU  50   5.998  -4.277   3.446
  362   1HD1  LEU  50          HD11      LEU  50   4.860  -5.446   5.277
  363   2HD1  LEU  50          HD12      LEU  50   5.468  -7.009   4.695
  364   3HD1  LEU  50          HD13      LEU  50   6.582  -5.794   5.357
  365   1HD2  LEU  50          HD21      LEU  50   8.009  -5.690   3.393
  366   2HD2  LEU  50          HD22      LEU  50   7.078  -6.987   2.602
  367   3HD2  LEU  50          HD23      LEU  50   7.330  -5.430   1.779
  368    H    LYS  51           H        LYS  51   4.077  -3.525   4.710
  369    HA   LYS  51           HA       LYS  51   4.125  -1.091   3.019
  370   1HB   LYS  51          HB2       LYS  51   2.074  -0.986   4.489
  371   2HB   LYS  51          HB3       LYS  51   3.096  -1.291   5.894
  372   1HG   LYS  51          HG2       LYS  51   4.388   0.871   5.187
  373   2HG   LYS  51          HG3       LYS  51   3.017   1.186   4.127
  374   1HD   LYS  51          HD2       LYS  51   2.918   0.775   7.154
  375   2HD   LYS  51          HD3       LYS  51   2.917   2.339   6.336
  376   1HE   LYS  51          HE2       LYS  51   0.772   1.775   5.225
  377   2HE   LYS  51          HE3       LYS  51   0.751   0.202   6.048
  378   1HZ   LYS  51          HZ1       LYS  51   0.776   2.827   7.422
  379   2HZ   LYS  51          HZ2       LYS  51  -0.569   1.906   7.210
  380   3HZ   LYS  51          HZ3       LYS  51   0.673   1.354   8.149
  381    H    ILE  52           H        ILE  52   6.060   0.133   3.551
  382    HA   ILE  52           HA       ILE  52   7.877  -1.229   5.484
  383    HB   ILE  52           HB       ILE  52   8.485   0.126   2.845
  384   1HG1  ILE  52          HG12      ILE  52   8.865  -2.782   3.698
  385   2HG1  ILE  52          HG13      ILE  52   7.560  -2.197   2.670
  386   1HG2  ILE  52          HG21      ILE  52  10.853  -0.405   3.256
  387   2HG2  ILE  52          HG22      ILE  52  10.246   0.628   4.537
  388   3HG2  ILE  52          HG23      ILE  52  10.443  -1.113   4.835
  389   1HD1  ILE  52          HD11      ILE  52  10.495  -2.269   1.953
  390   2HD1  ILE  52          HD12      ILE  52   9.162  -3.173   1.230
  391   3HD1  ILE  52          HD13      ILE  52   9.259  -1.418   0.992
  392    H    VAL  53           H        VAL  53   8.767   0.186   7.052
  393    HA   VAL  53           HA       VAL  53   7.806   3.028   6.935
  394    HB   VAL  53           HB       VAL  53   7.454   1.033   9.205
  395   1HG1  VAL  53          HG11      VAL  53   6.306   2.895  10.398
  396   2HG1  VAL  53          HG12      VAL  53   8.017   3.243  10.162
  397   3HG1  VAL  53          HG13      VAL  53   6.809   4.021   9.115
  398   1HG2  VAL  53          HG21      VAL  53   5.057   1.505   8.908
  399   2HG2  VAL  53          HG22      VAL  53   5.415   2.578   7.544
  400   3HG2  VAL  53          HG23      VAL  53   5.746   0.840   7.424
  401    H    LYS  54           H        LYS  54   9.717   4.093   6.667
  402    HA   LYS  54           HA       LYS  54  12.124   3.257   8.130
  403   1HB   LYS  54          HB2       LYS  54  11.560   5.725   6.429
  404   2HB   LYS  54          HB3       LYS  54  13.129   5.284   7.122
  405   1HG   LYS  54          HG2       LYS  54  13.080   3.139   5.838
  406   2HG   LYS  54          HG3       LYS  54  11.545   3.605   5.127
  407   1HD   LYS  54          HD2       LYS  54  13.308   4.029   3.532
  408   2HD   LYS  54          HD3       LYS  54  12.586   5.548   4.051
  409   1HE   LYS  54          HE2       LYS  54  14.925   5.905   3.936
  410   2HE   LYS  54          HE3       LYS  54  14.508   5.862   5.652
  411   1HZ   LYS  54          HZ1       LYS  54  15.797   3.695   4.094
  412   2HZ   LYS  54          HZ2       LYS  54  16.483   4.585   5.282
  413   3HZ   LYS  54          HZ3       LYS  54  15.320   3.491   5.642
  414    H    ILE  55           H        ILE  55  12.878   4.195  10.048
  415    HA   ILE  55           HA       ILE  55  11.503   6.602  11.057
  416    HB   ILE  55           HB       ILE  55  10.167   4.910  12.005
  417   1HG1  ILE  55          HG12      ILE  55  12.074   5.750  14.221
  418   2HG1  ILE  55          HG13      ILE  55  10.983   6.874  13.410
  419   1HG2  ILE  55          HG21      ILE  55  12.639   3.540  13.137
  420   2HG2  ILE  55          HG22      ILE  55  10.957   3.075  13.430
  421   3HG2  ILE  55          HG23      ILE  55  11.631   2.922  11.810
  422   1HD1  ILE  55          HD11      ILE  55  10.115   4.419  14.989
  423   2HD1  ILE  55          HD12      ILE  55   9.972   6.111  15.485
  424   3HD1  ILE  55          HD13      ILE  55   9.030   5.522  14.106
  425    H    ASP  56           H        ASP  56  12.856   8.007  11.902
  426    HA   ASP  56           HA       ASP  56  15.702   7.484  11.575
  427   1HB   ASP  56          HB2       ASP  56  14.726   9.502  10.653
  428   2HB   ASP  56          HB3       ASP  56  14.164  10.005  12.247
  429    H    VAL  57           H        VAL  57  16.683   6.465  13.303
  430    HA   VAL  57           HA       VAL  57  15.630   6.479  15.928
  431    HB   VAL  57           HB       VAL  57  17.681   5.387  16.622
  432   1HG1  VAL  57          HG11      VAL  57  16.815   4.350  13.890
  433   2HG1  VAL  57          HG12      VAL  57  17.507   3.419  15.237
  434   3HG1  VAL  57          HG13      VAL  57  15.902   4.158  15.396
  435   1HG2  VAL  57          HG21      VAL  57  19.386   6.651  15.335
  436   2HG2  VAL  57          HG22      VAL  57  19.535   4.907  15.102
  437   3HG2  VAL  57          HG23      VAL  57  18.800   5.902  13.836
  438    H    ASP  58           H        ASP  58  17.672   8.891  14.366
  439    HA   ASP  58           HA       ASP  58  18.947   9.865  16.753
  440   1HB   ASP  58          HB2       ASP  58  19.755  10.314  14.447
  441   2HB   ASP  58          HB3       ASP  58  18.331  11.325  14.161
  442    H    GLU  59           H        GLU  59  15.712  10.183  15.553
  443    HA   GLU  59           HA       GLU  59  15.105  12.303  17.581
  444   1HB   GLU  59          HB2       GLU  59  13.777  11.716  14.906
  445   2HB   GLU  59          HB3       GLU  59  13.187  12.880  16.103
  446   1HG   GLU  59          HG2       GLU  59  15.433  14.062  15.933
  447   2HG   GLU  59          HG3       GLU  59  15.786  13.046  14.534
  448    H    ASN  60           H        ASN  60  15.029   9.072  17.259
  449    HA   ASN  60           HA       ASN  60  12.392   8.714  18.599
  450   1HB   ASN  60          HB2       ASN  60  13.300   7.208  16.113
  451   2HB   ASN  60          HB3       ASN  60  11.943   6.749  17.129
  452   1HD2  ASN  60          HD22      ASN  60  13.005   8.969  14.662
  453   2HD2  ASN  60          HD21      ASN  60  11.478   9.811  14.475
  454    H    GLN  61           H        GLN  61  14.907   8.836  19.781
  455    HA   GLN  61           HA       GLN  61  16.220   6.384  20.201
  456   1HB   GLN  61          HB2       GLN  61  15.766   8.771  22.038
  457   2HB   GLN  61          HB3       GLN  61  16.828   7.426  22.449
  458   1HG   GLN  61          HG2       GLN  61  17.180   9.138  19.951
  459   2HG   GLN  61          HG3       GLN  61  17.995   9.438  21.482
  460   1HE2  GLN  61          HE22      GLN  61  18.011   7.539  18.575
  461   2HE2  GLN  61          HE21      GLN  61  19.412   6.548  18.967
  462    H    GLU  62           H        GLU  62  13.165   7.620  21.608
  463    HA   GLU  62           HA       GLU  62  12.959   5.646  23.648
  464   1HB   GLU  62          HB2       GLU  62  10.804   7.230  22.174
  465   2HB   GLU  62          HB3       GLU  62  10.519   6.264  23.621
  466   1HG   GLU  62          HG2       GLU  62  12.350   8.699  23.438
  467   2HG   GLU  62          HG3       GLU  62  10.732   8.672  24.122
  468    H    THR  63           H        THR  63  11.544   5.739  20.282
  469    HA   THR  63           HA       THR  63  10.316   3.214  20.484
  470    HB   THR  63           HB       THR  63  11.361   4.234  17.895
  471    HG1  THR  63           HG1      THR  63   9.740   5.866  17.863
  472   1HG2  THR  63          HG21      THR  63   9.779   2.318  17.963
  473   2HG2  THR  63          HG22      THR  63   8.555   3.372  18.696
  474   3HG2  THR  63          HG23      THR  63   9.145   3.681  17.041
  475    H    ALA  64           H        ALA  64  13.575   4.201  19.303
  476    HA   ALA  64           HA       ALA  64  14.469   1.618  18.519
  477   1HB   ALA  64          HB1       ALA  64  16.755   2.617  18.867
  478   2HB   ALA  64          HB2       ALA  64  15.681   3.708  17.969
  479   3HB   ALA  64          HB3       ALA  64  16.015   3.992  19.691
  480    H    GLY  65           H        GLY  65  14.725   3.288  21.708
  481   1HA   GLY  65          HA2       GLY  65  15.969   1.195  23.137
  482   2HA   GLY  65          HA3       GLY  65  14.947   2.478  23.814
  483    H    LYS  66           H        LYS  66  12.577   1.655  22.198
  484    HA   LYS  66           HA       LYS  66  11.265  -0.006  23.995
  485   1HB   LYS  66          HB2       LYS  66  10.373   1.580  22.136
  486   2HB   LYS  66          HB3       LYS  66  10.509   0.191  21.064
  487   1HG   LYS  66          HG2       LYS  66   8.935  -1.095  22.359
  488   2HG   LYS  66          HG3       LYS  66   8.977   0.073  23.696
  489   1HD   LYS  66          HD2       LYS  66   7.953   1.790  22.301
  490   2HD   LYS  66          HD3       LYS  66   7.954   0.699  20.899
  491   1HE   LYS  66          HE2       LYS  66   6.468  -0.874  22.123
  492   2HE   LYS  66          HE3       LYS  66   6.485   0.195  23.530
  493   1HZ   LYS  66          HZ1       LYS  66   5.387   1.887  22.184
  494   2HZ   LYS  66          HZ2       LYS  66   5.373   0.904  20.875
  495   3HZ   LYS  66          HZ3       LYS  66   4.504   0.520  22.198
  496    H    TYR  67           H        TYR  67  13.208  -0.912  21.162
  497    HA   TYR  67           HA       TYR  67  12.763  -3.789  21.864
  498   1HB   TYR  67          HB2       TYR  67  13.662  -2.956  19.143
  499   2HB   TYR  67          HB3       TYR  67  12.745  -4.372  19.630
  500    HD1  TYR  67           HD1      TYR  67  10.252  -3.928  20.419
  501    HD2  TYR  67           HD2      TYR  67  12.645  -1.045  18.278
  502    HE1  TYR  67           HE1      TYR  67   8.207  -2.653  19.848
  503    HE2  TYR  67           HE2      TYR  67  10.649   0.251  17.761
  504    HH   TYR  67           HH       TYR  67   7.335  -0.784  18.762
  505    H    GLY  68           H        GLY  68  14.940  -1.573  22.585
  506   1HA   GLY  68          HA2       GLY  68  17.170  -1.556  23.030
  507   2HA   GLY  68          HA3       GLY  68  17.166  -3.317  22.832
  508    H    VAL  69           H        VAL  69  16.278  -0.985  20.253
  509    HA   VAL  69           HA       VAL  69  18.292  -2.013  18.422
  510    HB   VAL  69           HB       VAL  69  16.540   0.478  18.269
  511   1HG1  VAL  69          HG11      VAL  69  18.158  -0.953  16.130
  512   2HG1  VAL  69          HG12      VAL  69  16.964   0.324  15.815
  513   3HG1  VAL  69          HG13      VAL  69  18.420   0.688  16.742
  514   1HG2  VAL  69          HG21      VAL  69  15.117  -0.868  16.718
  515   2HG2  VAL  69          HG22      VAL  69  16.050  -2.314  17.174
  516   3HG2  VAL  69          HG23      VAL  69  15.090  -1.436  18.381
  517    H    MET  70           H        MET  70  20.398  -1.463  18.573
  518    HA   MET  70           HA       MET  70  21.202   1.194  19.675
  519   1HB   MET  70          HB2       MET  70  22.374  -1.554  20.270
  520   2HB   MET  70          HB3       MET  70  23.142  -0.033  20.730
  521   1HG   MET  70          HG2       MET  70  20.405  -0.936  21.682
  522   2HG   MET  70          HG3       MET  70  21.903  -1.096  22.587
  523   1HE   MET  70          HE1       MET  70  19.786   1.635  24.508
  524   2HE   MET  70          HE2       MET  70  19.120   0.290  23.556
  525   3HE   MET  70          HE3       MET  70  20.534   0.025  24.605
  526    H    SER  71           H        SER  71  21.098  -0.554  16.917
  527    HA   SER  71           HA       SER  71  23.420   0.708  15.727
  528   1HB   SER  71          HB2       SER  71  22.878  -2.293  15.487
  529   2HB   SER  71          HB3       SER  71  24.148  -1.390  14.646
  530    HG   SER  71           HG       SER  71  24.932  -2.504  16.491
  531    H    ILE  72           H        ILE  72  23.148   0.578  13.290
  532    HA   ILE  72           HA       ILE  72  20.482  -0.135  12.349
  533    HB   ILE  72           HB       ILE  72  20.224   2.023  11.171
  534   1HG1  ILE  72          HG12      ILE  72  22.379   3.126  13.032
  535   2HG1  ILE  72          HG13      ILE  72  22.633   2.769  11.321
  536   1HG2  ILE  72          HG21      ILE  72  19.195   3.191  12.999
  537   2HG2  ILE  72          HG22      ILE  72  19.050   1.466  13.328
  538   3HG2  ILE  72          HG23      ILE  72  20.271   2.426  14.184
  539   1HD1  ILE  72          HD11      ILE  72  20.670   4.820  12.418
  540   2HD1  ILE  72          HD12      ILE  72  22.200   5.135  11.583
  541   3HD1  ILE  72          HD13      ILE  72  20.863   4.370  10.707
  542    HA   PRO  73           HA       PRO  73  19.535   0.395   9.942
  543   1HB   PRO  73          HB2       PRO  73  19.074  -1.536   8.055
  544   2HB   PRO  73          HB3       PRO  73  19.692   0.091   7.667
  545   1HG   PRO  73          HG2       PRO  73  21.254  -2.479   7.995
  546   2HG   PRO  73          HG3       PRO  73  21.425  -1.233   6.720
  547   1HD   PRO  73          HD2       PRO  73  23.075  -1.349   8.903
  548   2HD   PRO  73          HD3       PRO  73  22.603   0.208   8.167
  549    H    THR  74           H        THR  74  17.903  -0.658  11.019
  550    HA   THR  74           HA       THR  74  18.265  -3.535  11.721
  551    HB   THR  74           HB       THR  74  17.713  -1.217  13.613
  552    HG1  THR  74           HG1      THR  74  19.671  -1.625  14.170
  553   1HG2  THR  74          HG21      THR  74  16.101  -2.871  14.269
  554   2HG2  THR  74          HG22      THR  74  17.261  -4.195  14.066
  555   3HG2  THR  74          HG23      THR  74  17.469  -3.029  15.380
  556    H    LEU  75           H        LEU  75  16.377  -4.689  11.505
  557    HA   LEU  75           HA       LEU  75  14.083  -3.151  10.389
  558   1HB   LEU  75          HB2       LEU  75  14.988  -5.963   9.712
  559   2HB   LEU  75          HB3       LEU  75  13.496  -5.203   9.214
  560    HG   LEU  75           HG       LEU  75  14.701  -4.947   7.348
  561   1HD1  LEU  75          HD11      LEU  75  15.509  -2.360   8.645
  562   2HD1  LEU  75          HD12      LEU  75  15.334  -2.699   6.914
  563   3HD1  LEU  75          HD13      LEU  75  13.905  -2.737   7.960
  564   1HD2  LEU  75          HD21      LEU  75  17.240  -4.231   8.869
  565   2HD2  LEU  75          HD22      LEU  75  16.853  -5.834   8.209
  566   3HD2  LEU  75          HD23      LEU  75  17.079  -4.463   7.116
  567    H    LEU  76           H        LEU  76  12.086  -3.548  11.280
  568    HA   LEU  76           HA       LEU  76  11.851  -5.638  13.428
  569   1HB   LEU  76          HB2       LEU  76  10.994  -2.716  13.476
  570   2HB   LEU  76          HB3       LEU  76  10.089  -3.930  14.346
  571    HG   LEU  76           HG       LEU  76  11.649  -2.587  15.749
  572   1HD1  LEU  76          HD11      LEU  76  10.849  -4.733  16.539
  573   2HD1  LEU  76          HD12      LEU  76  12.130  -5.599  15.670
  574   3HD1  LEU  76          HD13      LEU  76  12.535  -4.523  17.025
  575   1HD2  LEU  76          HD21      LEU  76  13.913  -4.185  14.527
  576   2HD2  LEU  76          HD22      LEU  76  13.528  -2.522  14.047
  577   3HD2  LEU  76          HD23      LEU  76  13.991  -2.882  15.722
  578    H    VAL  77           H        VAL  77  10.209  -6.970  12.854
  579    HA   VAL  77           HA       VAL  77   8.511  -6.113  10.564
  580    HB   VAL  77           HB       VAL  77   8.776  -8.979  11.449
  581   1HG1  VAL  77          HG11      VAL  77   7.116  -8.257   9.741
  582   2HG1  VAL  77          HG12      VAL  77   8.425  -7.591   8.743
  583   3HG1  VAL  77          HG13      VAL  77   8.325  -9.346   9.036
  584   1HG2  VAL  77          HG21      VAL  77  11.121  -8.514  11.251
  585   2HG2  VAL  77          HG22      VAL  77  10.637  -9.276   9.735
  586   3HG2  VAL  77          HG23      VAL  77  10.885  -7.522   9.811
  587    H    LEU  78           H        LEU  78   6.426  -5.694  11.134
  588    HA   LEU  78           HA       LEU  78   5.529  -6.563  13.830
  589   1HB   LEU  78          HB2       LEU  78   4.948  -3.906  12.437
  590   2HB   LEU  78          HB3       LEU  78   4.242  -4.468  13.941
  591    HG   LEU  78           HG       LEU  78   6.887  -4.697  14.588
  592   1HD1  LEU  78          HD11      LEU  78   7.652  -3.742  12.437
  593   2HD1  LEU  78          HD12      LEU  78   6.758  -2.260  12.771
  594   3HD1  LEU  78          HD13      LEU  78   8.112  -2.732  13.813
  595   1HD2  LEU  78          HD21      LEU  78   6.664  -2.609  15.832
  596   2HD2  LEU  78          HD22      LEU  78   5.257  -2.143  14.857
  597   3HD2  LEU  78          HD23      LEU  78   5.173  -3.551  15.932
  598    H    LYS  79           H        LYS  79   3.246  -6.919  13.969
  599    HA   LYS  79           HA       LYS  79   1.765  -6.885  11.415
  600   1HB   LYS  79          HB2       LYS  79   2.555  -9.237  11.730
  601   2HB   LYS  79          HB3       LYS  79   1.718  -9.271  13.300
  602   1HG   LYS  79          HG2       LYS  79  -0.431  -8.839  12.192
  603   2HG   LYS  79          HG3       LYS  79   0.386  -8.735  10.615
  604   1HD   LYS  79          HD2       LYS  79   1.067 -11.093  10.813
  605   2HD   LYS  79          HD3       LYS  79   0.286 -11.201  12.408
  606   1HE   LYS  79          HE2       LYS  79  -1.904 -10.630  11.362
  607   2HE   LYS  79          HE3       LYS  79  -1.118 -10.527   9.779
  608   1HZ   LYS  79          HZ1       LYS  79  -0.532 -12.873   9.999
  609   2HZ   LYS  79          HZ2       LYS  79  -1.332 -12.976  11.430
  610   3HZ   LYS  79          HZ3       LYS  79  -2.158 -12.665  10.057
  611    H    ASP  80           H        ASP  80   0.026  -5.697  11.755
  612    HA   ASP  80           HA       ASP  80  -1.694  -4.625  12.730
  613   1HB   ASP  80          HB2       ASP  80  -2.536  -6.922  12.503
  614   2HB   ASP  80          HB3       ASP  80  -2.032  -7.280  14.156
  615    H    GLY  81           H        GLY  81   0.753  -4.012  13.951
  616   1HA   GLY  81          HA2       GLY  81   1.128  -2.365  15.508
  617   2HA   GLY  81          HA3       GLY  81  -0.268  -2.878  16.450
  618    H    GLU  82           H        GLU  82   1.640  -5.697  15.926
  619    HA   GLU  82           HA       GLU  82   3.279  -5.138  18.363
  620   1HB   GLU  82          HB2       GLU  82   2.854  -7.220  19.232
  621   2HB   GLU  82          HB3       GLU  82   1.279  -6.719  18.623
  622   1HG   GLU  82          HG2       GLU  82   1.670  -8.174  16.593
  623   2HG   GLU  82          HG3       GLU  82   3.184  -8.720  17.296
  624    H    VAL  83           H        VAL  83   5.430  -5.960  18.344
  625    HA   VAL  83           HA       VAL  83   6.651  -6.468  15.740
  626    HB   VAL  83           HB       VAL  83   7.734  -6.823  18.566
  627   1HG1  VAL  83          HG11      VAL  83   9.181  -6.758  15.871
  628   2HG1  VAL  83          HG12      VAL  83   9.963  -6.797  17.467
  629   3HG1  VAL  83          HG13      VAL  83   9.010  -8.174  16.928
  630   1HG2  VAL  83          HG21      VAL  83   8.938  -4.720  18.141
  631   2HG2  VAL  83          HG22      VAL  83   8.139  -4.543  16.573
  632   3HG2  VAL  83          HG23      VAL  83   7.195  -4.445  18.077
  633    H    VAL  84           H        VAL  84   6.755  -8.312  14.731
  634    HA   VAL  84           HA       VAL  84   6.223 -10.826  16.225
  635    HB   VAL  84           HB       VAL  84   5.349 -11.743  14.165
  636   1HG1  VAL  84          HG11      VAL  84   3.209 -10.705  14.185
  637   2HG1  VAL  84          HG12      VAL  84   3.849 -10.694  15.832
  638   3HG1  VAL  84          HG13      VAL  84   3.862  -9.201  14.868
  639   1HG2  VAL  84          HG21      VAL  84   4.761 -10.353  12.230
  640   2HG2  VAL  84          HG22      VAL  84   5.481  -8.928  12.987
  641   3HG2  VAL  84          HG23      VAL  84   6.513 -10.281  12.485
  642    H    GLU  85           H        GLU  85   8.624  -9.061  14.251
  643    HA   GLU  85           HA       GLU  85  10.499 -11.150  14.975
  644   1HB   GLU  85          HB2       GLU  85   9.364 -11.156  12.266
  645   2HB   GLU  85          HB3       GLU  85  11.085 -10.855  12.195
  646   1HG   GLU  85          HG2       GLU  85   9.837 -13.212  13.666
  647   2HG   GLU  85          HG3       GLU  85  10.417 -13.246  12.015
  648    H    THR  86           H        THR  86  12.767 -10.545  14.221
  649    HA   THR  86           HA       THR  86  13.193  -7.630  13.846
  650    HB   THR  86           HB       THR  86  14.490  -9.282  16.053
  651    HG1  THR  86           HG1      THR  86  13.120  -8.397  17.478
  652   1HG2  THR  86          HG21      THR  86  14.479  -6.287  15.472
  653   2HG2  THR  86          HG22      THR  86  15.086  -7.009  16.979
  654   3HG2  THR  86          HG23      THR  86  15.877  -7.380  15.447
  655    H    SER  87           H        SER  87  15.286  -7.171  12.903
  656    HA   SER  87           HA       SER  87  17.326  -9.240  12.741
  657   1HB   SER  87          HB2       SER  87  15.866  -8.206  10.284
  658   2HB   SER  87          HB3       SER  87  17.549  -8.764  10.202
  659    HG   SER  87           HG       SER  87  15.604 -10.330  11.496
  660    H    VAL  88           H        VAL  88  19.409  -8.283  12.142
  661    HA   VAL  88           HA       VAL  88  19.520  -5.317  12.451
  662    HB   VAL  88           HB       VAL  88  21.134  -7.384  13.987
  663   1HG1  VAL  88          HG11      VAL  88  21.151  -4.341  14.167
  664   2HG1  VAL  88          HG12      VAL  88  22.003  -5.440  15.270
  665   3HG1  VAL  88          HG13      VAL  88  22.472  -5.370  13.572
  666   1HG2  VAL  88          HG21      VAL  88  18.864  -7.272  14.918
  667   2HG2  VAL  88          HG22      VAL  88  20.008  -6.504  16.015
  668   3HG2  VAL  88          HG23      VAL  88  18.964  -5.497  14.991
  669    H    GLY  89           H        GLY  89  21.129  -4.363  11.223
  670   1HA   GLY  89          HA2       GLY  89  22.920  -4.180   9.775
  671   2HA   GLY  89          HA3       GLY  89  23.246  -5.915   9.909
  672    H    PHE  90           H        PHE  90  23.468  -5.476   7.475
  673    HA   PHE  90           HA       PHE  90  21.129  -5.121   5.845
  674   1HB   PHE  90          HB2       PHE  90  23.494  -4.851   5.046
  675   2HB   PHE  90          HB3       PHE  90  23.749  -6.582   5.245
  676    HD1  PHE  90           HD1      PHE  90  22.062  -3.969   3.241
  677    HD2  PHE  90           HD2      PHE  90  22.797  -8.200   3.642
  678    HE1  PHE  90           HE1      PHE  90  21.146  -4.346   0.964
  679    HE2  PHE  90           HE2      PHE  90  21.869  -8.573   1.372
  680    HZ   PHE  90           HZ       PHE  90  21.035  -6.651   0.032
  681    H    LYS  91           H        LYS  91  19.940  -6.618   4.677
  682    HA   LYS  91           HA       LYS  91  19.840  -9.393   5.615
  683   1HB   LYS  91          HB2       LYS  91  18.542  -7.828   7.212
  684   2HB   LYS  91          HB3       LYS  91  17.502  -7.435   5.852
  685   1HG   LYS  91          HG2       LYS  91  16.395  -9.044   7.128
  686   2HG   LYS  91          HG3       LYS  91  16.946  -9.899   5.673
  687   1HD   LYS  91          HD2       LYS  91  18.787 -10.929   6.983
  688   2HD   LYS  91          HD3       LYS  91  18.365  -9.924   8.383
  689   1HE   LYS  91          HE2       LYS  91  16.026 -10.998   8.256
  690   2HE   LYS  91          HE3       LYS  91  16.741 -12.179   7.142
  691   1HZ   LYS  91          HZ1       LYS  91  16.833 -13.066   9.328
  692   2HZ   LYS  91          HZ2       LYS  91  18.374 -12.614   9.022
  693   3HZ   LYS  91          HZ3       LYS  91  17.388 -11.681   9.971
  694    HA   PRO  92           HA       PRO  92  19.133  -9.036   1.207
  695   1HB   PRO  92          HB2       PRO  92  18.670 -11.681   0.514
  696   2HB   PRO  92          HB3       PRO  92  20.289 -10.964   0.805
  697   1HG   PRO  92          HG2       PRO  92  18.591 -12.587   2.686
  698   2HG   PRO  92          HG3       PRO  92  20.356 -12.680   2.429
  699   1HD   PRO  92          HD2       PRO  92  19.237 -11.343   4.547
  700   2HD   PRO  92          HD3       PRO  92  20.747 -10.782   3.764
  701    H    LYS  93           H        LYS  93  17.484  -9.142  -0.317
  702    HA   LYS  93           HA       LYS  93  14.913  -8.501   0.468
  703   1HB   LYS  93          HB2       LYS  93  16.067  -8.119  -1.738
  704   2HB   LYS  93          HB3       LYS  93  15.825  -9.811  -2.140
  705   1HG   LYS  93          HG2       LYS  93  13.397  -9.503  -2.082
  706   2HG   LYS  93          HG3       LYS  93  13.588  -7.833  -1.517
  707   1HD   LYS  93          HD2       LYS  93  13.121  -7.827  -3.877
  708   2HD   LYS  93          HD3       LYS  93  14.791  -7.278  -3.598
  709   1HE   LYS  93          HE2       LYS  93  15.682  -9.430  -4.313
  710   2HE   LYS  93          HE3       LYS  93  14.050 -10.119  -4.411
  711   1HZ   LYS  93          HZ1       LYS  93  14.899  -9.468  -6.580
  712   2HZ   LYS  93          HZ2       LYS  93  13.543  -8.632  -6.185
  713   3HZ   LYS  93          HZ3       LYS  93  15.028  -7.895  -6.118
  714    H    GLU  94           H        GLU  94  16.052 -11.656  -0.734
  715    HA   GLU  94           HA       GLU  94  13.579 -13.008  -0.602
  716   1HB   GLU  94          HB2       GLU  94  15.600 -13.788  -1.807
  717   2HB   GLU  94          HB3       GLU  94  16.384 -14.155  -0.265
  718   1HG   GLU  94          HG2       GLU  94  14.642 -15.838   0.238
  719   2HG   GLU  94          HG3       GLU  94  13.775 -15.406  -1.239
  720    H    ALA  95           H        ALA  95  16.058 -12.523   1.945
  721    HA   ALA  95           HA       ALA  95  14.780 -14.314   3.804
  722   1HB   ALA  95          HB1       ALA  95  17.173 -13.816   4.006
  723   2HB   ALA  95          HB2       ALA  95  16.798 -12.100   4.339
  724   3HB   ALA  95          HB3       ALA  95  16.298 -13.373   5.474
  725    H    LEU  96           H        LEU  96  14.647 -10.794   3.188
  726    HA   LEU  96           HA       LEU  96  12.890 -10.185   5.340
  727   1HB   LEU  96          HB2       LEU  96  13.196  -8.870   2.613
  728   2HB   LEU  96          HB3       LEU  96  12.200  -8.221   3.909
  729    HG   LEU  96           HG       LEU  96  15.205  -8.691   4.149
  730   1HD1  LEU  96          HD11      LEU  96  15.453  -6.277   3.934
  731   2HD1  LEU  96          HD12      LEU  96  14.682  -6.943   2.490
  732   3HD1  LEU  96          HD13      LEU  96  13.701  -6.085   3.704
  733   1HD2  LEU  96          HD21      LEU  96  13.210  -7.297   5.981
  734   2HD2  LEU  96          HD22      LEU  96  14.162  -8.747   6.343
  735   3HD2  LEU  96          HD23      LEU  96  14.975  -7.191   6.149
  736    H    GLN  97           H        GLN  97  12.186 -11.290   2.006
  737    HA   GLN  97           HA       GLN  97   9.361 -11.281   2.335
  738   1HB   GLN  97          HB2       GLN  97  11.162 -12.965   0.527
  739   2HB   GLN  97          HB3       GLN  97   9.395 -13.070   0.497
  740   1HG   GLN  97          HG2       GLN  97   9.211 -10.698  -0.008
  741   2HG   GLN  97          HG3       GLN  97  10.960 -10.510   0.087
  742   1HE2  GLN  97          HE21      GLN  97  12.070 -10.639  -1.768
  743   2HE2  GLN  97          HE22      GLN  97  11.324 -11.009  -3.314
  744    H    GLU  98           H        GLU  98  11.781 -13.784   3.166
  745    HA   GLU  98           HA       GLU  98   9.863 -15.726   3.942
  746   1HB   GLU  98          HB2       GLU  98  12.725 -15.235   4.826
  747   2HB   GLU  98          HB3       GLU  98  11.772 -16.543   5.501
  748   1HG   GLU  98          HG2       GLU  98  12.105 -16.275   2.493
  749   2HG   GLU  98          HG3       GLU  98  13.358 -17.003   3.488
  750    H    LEU  99           H        LEU  99  11.445 -13.148   5.872
  751    HA   LEU  99           HA       LEU  99  10.043 -13.819   8.282
  752   1HB   LEU  99          HB2       LEU  99  11.114 -11.092   7.447
  753   2HB   LEU  99          HB3       LEU  99  10.552 -11.544   9.055
  754    HG   LEU  99           HG       LEU  99  13.027 -12.555   7.626
  755   1HD1  LEU  99          HD11      LEU  99  14.176 -11.575   9.560
  756   2HD1  LEU  99          HD12      LEU  99  13.190 -10.360   8.733
  757   3HD1  LEU  99          HD13      LEU  99  12.625 -11.079  10.257
  758   1HD2  LEU  99          HD21      LEU  99  11.834 -13.590  10.223
  759   2HD2  LEU  99          HD22      LEU  99  12.120 -14.517   8.732
  760   3HD2  LEU  99          HD23      LEU  99  13.488 -13.914   9.666
  761    H    VAL 100           H        VAL 100   9.108 -11.657   5.583
  762    HA   VAL 100           HA       VAL 100   6.680 -10.765   6.759
  763    HB   VAL 100           HB       VAL 100   7.608 -11.141   3.894
  764   1HG1  VAL 100          HG11      VAL 100   5.758  -9.646   3.189
  765   2HG1  VAL 100          HG12      VAL 100   5.200 -11.219   3.766
  766   3HG1  VAL 100          HG13      VAL 100   5.043  -9.788   4.811
  767   1HG2  VAL 100          HG21      VAL 100   7.983  -8.790   3.872
  768   2HG2  VAL 100          HG22      VAL 100   7.171  -8.561   5.448
  769   3HG2  VAL 100          HG23      VAL 100   8.733  -9.374   5.352
  770    H    ASN 101           H        ASN 101   7.355 -13.589   4.647
  771    HA   ASN 101           HA       ASN 101   4.645 -14.410   4.639
  772   1HB   ASN 101          HB2       ASN 101   5.208 -16.094   3.244
  773   2HB   ASN 101          HB3       ASN 101   6.453 -14.882   2.945
  774   1HD2  ASN 101          HD22      ASN 101   7.921 -16.244   2.005
  775   2HD2  ASN 101          HD21      ASN 101   8.779 -17.492   2.885
  776    H    LYS 102           H        LYS 102   7.173 -15.117   6.881
  777    HA   LYS 102           HA       LYS 102   6.035 -17.320   8.273
  778   1HB   LYS 102          HB2       LYS 102   7.635 -14.940   9.292
  779   2HB   LYS 102          HB3       LYS 102   7.057 -16.207  10.364
  780   1HG   LYS 102          HG2       LYS 102   8.288 -17.918   9.092
  781   2HG   LYS 102          HG3       LYS 102   8.932 -16.668   8.017
  782   1HD   LYS 102          HD2       LYS 102   9.941 -15.516   9.993
  783   2HD   LYS 102          HD3       LYS 102   9.398 -16.837  11.028
  784   1HE   LYS 102          HE2       LYS 102  11.266 -17.135   8.627
  785   2HE   LYS 102          HE3       LYS 102  11.807 -16.974  10.300
  786   1HZ   LYS 102          HZ1       LYS 102  11.748 -19.280   9.646
  787   2HZ   LYS 102          HZ2       LYS 102  10.644 -19.043  10.816
  788   3HZ   LYS 102          HZ3       LYS 102  10.169 -19.214   9.258
  789    H    HIS 103           H        HIS 103   4.889 -13.978   8.107
  790    HA   HIS 103           HA       HIS 103   2.921 -14.597  10.268
  791   1HB   HIS 103          HB2       HIS 103   4.319 -11.968   9.694
  792   2HB   HIS 103          HB3       HIS 103   3.133 -12.267  10.967
  793    HD1  HIS 103           HD1      HIS 103   4.012 -14.403  12.754
  794    HD2  HIS 103           HD2      HIS 103   6.804 -12.299  10.415
  795    HE1  HIS 103           HE1      HIS 103   6.296 -14.852  13.783
  796    H    LEU 104           H        LEU 104   3.216 -13.443   6.960
  797    HA   LEU 104           HA       LEU 104   0.651 -12.213   6.775
  798   1HB   LEU 104          HB2       LEU 104   2.285 -13.814   4.766
  799   2HB   LEU 104          HB3       LEU 104   0.696 -13.179   4.379
  800    HG   LEU 104           HG       LEU 104   3.100 -11.483   5.144
  801   1HD1  LEU 104          HD11      LEU 104   3.005 -10.793   2.759
  802   2HD1  LEU 104          HD12      LEU 104   3.277 -12.537   2.911
  803   3HD1  LEU 104          HD13      LEU 104   1.667 -11.923   2.479
  804   1HD2  LEU 104          HD21      LEU 104   0.309 -10.646   4.231
  805   2HD2  LEU 104          HD22      LEU 104   1.009 -10.355   5.832
  806   3HD2  LEU 104          HD23      LEU 104   1.712  -9.564   4.431
  Start of MODEL   20
    1   1H    MET   1          H1        MET   1   1.396  -1.727   1.807
    2   2H    MET   1          H2        MET   1  -0.249  -1.854   1.800
    3   3H    MET   1          H3        MET   1   0.622  -2.017   0.412
    4    HA   MET   1           HA       MET   1  -0.443   0.078   0.391
    5   1HB   MET   1          HB2       MET   1   1.044   0.649   2.991
    6   2HB   MET   1          HB3       MET   1   0.179   1.831   2.005
    7   1HG   MET   1          HG2       MET   1  -1.287   1.292   3.735
    8   2HG   MET   1          HG3       MET   1  -1.919   0.450   2.325
    9   1HE   MET   1          HE1       MET   1  -2.914  -0.124   5.274
   10   2HE   MET   1          HE2       MET   1  -3.502  -0.993   3.836
   11   3HE   MET   1          HE3       MET   1  -2.968  -1.902   5.267
   12    H    ALA   2           H        ALA   2   2.694   1.028   1.833
   13    HA   ALA   2           HA       ALA   2   4.220   0.854  -0.602
   14   1HB   ALA   2          HB1       ALA   2   4.429   3.303  -0.913
   15   2HB   ALA   2          HB2       ALA   2   2.748   2.811  -1.137
   16   3HB   ALA   2          HB3       ALA   2   3.249   3.586   0.384
   17    H    ILE   3           H        ILE   3   6.287   2.496  -0.026
   18    HA   ILE   3           HA       ILE   3   7.148   1.917   2.720
   19    HB   ILE   3           HB       ILE   3   8.378   3.582   0.496
   20   1HG1  ILE   3          HG12      ILE   3   9.741   1.075   1.413
   21   2HG1  ILE   3          HG13      ILE   3   8.215   0.797   0.590
   22   1HG2  ILE   3          HG21      ILE   3   9.559   2.765   3.192
   23   2HG2  ILE   3          HG22      ILE   3  10.495   3.447   1.844
   24   3HG2  ILE   3          HG23      ILE   3   9.240   4.415   2.617
   25   1HD1  ILE   3          HD11      ILE   3  10.484   2.472  -0.543
   26   2HD1  ILE   3          HD12      ILE   3  10.098   0.794  -0.969
   27   3HD1  ILE   3          HD13      ILE   3   8.928   2.087  -1.335
   28    H    VAL   4           H        VAL   4   7.206   3.456   4.349
   29    HA   VAL   4           HA       VAL   4   5.902   6.096   3.945
   30    HB   VAL   4           HB       VAL   4   5.346   4.101   6.179
   31   1HG1  VAL   4          HG11      VAL   4   3.345   5.524   6.650
   32   2HG1  VAL   4          HG12      VAL   4   4.858   6.335   6.963
   33   3HG1  VAL   4          HG13      VAL   4   3.947   6.710   5.474
   34   1HG2  VAL   4          HG21      VAL   4   4.361   3.130   4.191
   35   2HG2  VAL   4          HG22      VAL   4   3.061   3.824   5.148
   36   3HG2  VAL   4          HG23      VAL   4   3.651   4.692   3.716
   37    H    LYS   5           H        LYS   5   6.350   7.488   5.877
   38    HA   LYS   5           HA       LYS   5   8.935   6.943   7.276
   39   1HB   LYS   5          HB2       LYS   5   8.424   9.005   5.360
   40   2HB   LYS   5          HB3       LYS   5   8.302   9.775   6.926
   41   1HG   LYS   5          HG2       LYS   5  10.654   8.177   5.836
   42   2HG   LYS   5          HG3       LYS   5  10.561   9.925   5.994
   43   1HD   LYS   5          HD2       LYS   5  10.876   7.847   8.166
   44   2HD   LYS   5          HD3       LYS   5  11.957   9.163   7.762
   45   1HE   LYS   5          HE2       LYS   5   9.173   9.485   8.925
   46   2HE   LYS   5          HE3       LYS   5  10.641   9.457   9.895
   47   1HZ   LYS   5          HZ1       LYS   5  10.036  11.514   7.831
   48   2HZ   LYS   5          HZ2       LYS   5   9.959  11.732   9.442
   49   3HZ   LYS   5          HZ3       LYS   5  11.397  11.459   8.734
   50    H    ALA   6           H        ALA   6   8.693   7.082   9.437
   51    HA   ALA   6           HA       ALA   6   6.217   8.354  10.535
   52   1HB   ALA   6          HB1       ALA   6   5.879   6.391  11.992
   53   2HB   ALA   6          HB2       ALA   6   5.805   5.922  10.288
   54   3HB   ALA   6          HB3       ALA   6   7.270   5.582  11.244
   55    H    THR   7           H        THR   7   6.329   8.421  12.958
   56    HA   THR   7           HA       THR   7   8.997   8.544  14.140
   57    HB   THR   7           HB       THR   7   8.288  10.632  15.380
   58    HG1  THR   7           HG1      THR   7   6.404  10.797  13.260
   59   1HG2  THR   7          HG21      THR   7   9.957  10.772  13.569
   60   2HG2  THR   7          HG22      THR   7   8.665  11.034  12.380
   61   3HG2  THR   7          HG23      THR   7   8.962  12.232  13.662
   62    H    ASP   8           H        ASP   8   8.662   8.674  16.590
   63    HA   ASP   8           HA       ASP   8   7.132   6.626  17.573
   64   1HB   ASP   8          HB2       ASP   8   8.967   8.015  18.736
   65   2HB   ASP   8          HB3       ASP   8   7.701   9.153  19.161
   66    H    GLN   9           H        GLN   9   6.060   9.859  16.893
   67    HA   GLN   9           HA       GLN   9   3.728  10.136  18.424
   68   1HB   GLN   9          HB2       GLN   9   4.292  11.151  15.604
   69   2HB   GLN   9          HB3       GLN   9   3.100  11.810  16.723
   70   1HG   GLN   9          HG2       GLN   9   4.891  12.523  18.264
   71   2HG   GLN   9          HG3       GLN   9   6.120  11.836  17.194
   72   1HE2  GLN   9          HE22      GLN   9   6.111  12.667  14.856
   73   2HE2  GLN   9          HE21      GLN   9   5.807  14.382  14.646
   74    H    SER  10           H        SER  10   4.262   8.354  15.405
   75    HA   SER  10           HA       SER  10   1.393   7.522  15.344
   76   1HB   SER  10          HB2       SER  10   2.983   8.511  12.947
   77   2HB   SER  10          HB3       SER  10   1.275   8.047  12.981
   78    HG   SER  10           HG       SER  10   1.561  10.317  13.066
   79    H    PHE  11           H        PHE  11   4.611   6.466  15.293
   80    HA   PHE  11           HA       PHE  11   4.745   4.504  13.362
   81   1HB   PHE  11          HB2       PHE  11   6.578   5.212  14.852
   82   2HB   PHE  11          HB3       PHE  11   5.786   4.458  16.229
   83    HD1  PHE  11           HD1      PHE  11   7.547   3.859  13.017
   84    HD2  PHE  11           HD2      PHE  11   5.932   2.044  16.583
   85    HE1  PHE  11           HE1      PHE  11   8.763   1.777  12.503
   86    HE2  PHE  11           HE2      PHE  11   7.141  -0.058  16.050
   87    HZ   PHE  11           HZ       PHE  11   8.558  -0.201  14.025
   88    H    SER  12           H        SER  12   3.142   4.235  16.580
   89    HA   SER  12           HA       SER  12   2.533   1.482  16.452
   90   1HB   SER  12          HB2       SER  12   0.689   2.298  18.114
   91   2HB   SER  12          HB3       SER  12   2.394   2.483  18.554
   92    HG   SER  12           HG       SER  12   1.184   4.399  18.925
   93    H    ALA  13           H        ALA  13   0.685   4.343  15.384
   94    HA   ALA  13           HA       ALA  13  -1.618   2.882  14.550
   95   1HB   ALA  13          HB1       ALA  13  -0.589   5.581  13.562
   96   2HB   ALA  13          HB2       ALA  13  -2.221   4.931  13.323
   97   3HB   ALA  13          HB3       ALA  13  -1.661   5.324  14.959
   98    H    GLU  14           H        GLU  14   1.328   3.948  12.840
   99    HA   GLU  14           HA       GLU  14   0.507   3.022  10.283
  100   1HB   GLU  14          HB2       GLU  14   3.274   3.521  11.459
  101   2HB   GLU  14          HB3       GLU  14   3.043   2.980   9.803
  102   1HG   GLU  14          HG2       GLU  14   2.015   5.576  11.000
  103   2HG   GLU  14          HG3       GLU  14   3.346   5.386   9.857
  104    H    THR  15           H        THR  15   2.178   1.330  12.956
  105    HA   THR  15           HA       THR  15   2.572  -1.031  11.358
  106    HB   THR  15           HB       THR  15   3.508  -1.907  13.520
  107    HG1  THR  15           HG1      THR  15   3.346   0.784  14.349
  108   1HG2  THR  15          HG21      THR  15   5.501  -0.372  13.446
  109   2HG2  THR  15          HG22      THR  15   5.004  -0.985  11.862
  110   3HG2  THR  15          HG23      THR  15   4.617   0.681  12.334
  111    H    SER  16           H        SER  16  -0.246   0.082  12.526
  112    HA   SER  16           HA       SER  16  -1.187  -2.550  13.480
  113   1HB   SER  16          HB2       SER  16  -2.386   0.227  13.803
  114   2HB   SER  16          HB3       SER  16  -3.095  -1.278  14.419
  115    HG   SER  16           HG       SER  16  -0.673  -0.020  15.182
  116    H    GLU  17           H        GLU  17  -0.668  -2.049  10.678
  117    HA   GLU  17           HA       GLU  17  -3.389  -2.551   9.592
  118   1HB   GLU  17          HB2       GLU  17  -1.356  -0.636   8.395
  119   2HB   GLU  17          HB3       GLU  17  -2.834  -1.209   7.599
  120   1HG   GLU  17          HG2       GLU  17  -4.151  -0.272   9.556
  121   2HG   GLU  17          HG3       GLU  17  -2.661   0.520  10.090
  122    H    GLY  18           H        GLY  18  -2.247  -4.727  10.176
  123   1HA   GLY  18          HA2       GLY  18  -1.972  -6.741   9.006
  124   2HA   GLY  18          HA3       GLY  18  -1.431  -5.855   7.575
  125    H    VAL  19           H        VAL  19   0.393  -7.318   7.464
  126    HA   VAL  19           HA       VAL  19   2.475  -7.192   9.520
  127    HB   VAL  19           HB       VAL  19   2.632  -8.165   6.632
  128   1HG1  VAL  19          HG11      VAL  19   4.893  -7.523   7.424
  129   2HG1  VAL  19          HG12      VAL  19   4.624  -8.393   8.947
  130   3HG1  VAL  19          HG13      VAL  19   4.750  -9.283   7.421
  131   1HG2  VAL  19          HG21      VAL  19   2.398  -9.693   9.266
  132   2HG2  VAL  19          HG22      VAL  19   1.146  -9.588   8.007
  133   3HG2  VAL  19          HG23      VAL  19   2.664 -10.423   7.669
  134    H    VAL  20           H        VAL  20   4.075  -5.712   9.607
  135    HA   VAL  20           HA       VAL  20   4.439  -3.755   7.421
  136    HB   VAL  20           HB       VAL  20   4.099  -3.089  10.384
  137   1HG1  VAL  20          HG11      VAL  20   4.135  -0.714   9.556
  138   2HG1  VAL  20          HG12      VAL  20   5.670  -1.543   9.300
  139   3HG1  VAL  20          HG13      VAL  20   4.552  -1.315   7.940
  140   1HG2  VAL  20          HG21      VAL  20   1.878  -3.505   9.594
  141   2HG2  VAL  20          HG22      VAL  20   2.042  -1.760   9.453
  142   3HG2  VAL  20          HG23      VAL  20   2.193  -2.763   8.017
  143    H    LEU  21           H        LEU  21   6.620  -3.228   7.200
  144    HA   LEU  21           HA       LEU  21   8.529  -4.604   9.052
  145   1HB   LEU  21          HB2       LEU  21   8.386  -5.745   6.900
  146   2HB   LEU  21          HB3       LEU  21   8.664  -4.216   6.048
  147    HG   LEU  21           HG       LEU  21  10.914  -4.055   7.249
  148   1HD1  LEU  21          HD11      LEU  21  10.258  -6.871   8.064
  149   2HD1  LEU  21          HD12      LEU  21  11.883  -6.178   8.077
  150   3HD1  LEU  21          HD13      LEU  21  10.652  -5.471   9.126
  151   1HD2  LEU  21          HD21      LEU  21  10.718  -4.811   4.913
  152   2HD2  LEU  21          HD22      LEU  21  12.031  -5.647   5.747
  153   3HD2  LEU  21          HD23      LEU  21  10.486  -6.487   5.469
  154    H    ALA  22           H        ALA  22   9.202  -3.010  10.343
  155    HA   ALA  22           HA       ALA  22   9.450  -0.261   9.357
  156   1HB   ALA  22          HB1       ALA  22  10.111   0.168  11.723
  157   2HB   ALA  22          HB2       ALA  22   8.505  -0.596  11.578
  158   3HB   ALA  22          HB3       ALA  22   9.919  -1.566  12.053
  159    H    ASP  23           H        ASP  23  11.426   0.813   9.339
  160    HA   ASP  23           HA       ASP  23  13.942  -0.783   9.355
  161   1HB   ASP  23          HB2       ASP  23  13.302  -0.569   7.045
  162   2HB   ASP  23          HB3       ASP  23  12.928   1.145   7.244
  163    H    PHE  24           H        PHE  24  14.668  -0.061  11.212
  164    HA   PHE  24           HA       PHE  24  14.610   2.743  12.077
  165   1HB   PHE  24          HB2       PHE  24  15.737   0.157  13.238
  166   2HB   PHE  24          HB3       PHE  24  16.044   1.737  13.933
  167    HD1  PHE  24           HD1      PHE  24  14.584   2.548  15.601
  168    HD2  PHE  24           HD2      PHE  24  13.129  -0.425  12.832
  169    HE1  PHE  24           HE1      PHE  24  12.368   2.612  16.687
  170    HE2  PHE  24           HE2      PHE  24  10.923  -0.358  13.943
  171    HZ   PHE  24           HZ       PHE  24  10.507   1.204  15.809
  172    H    TRP  25           H        TRP  25  15.990   4.107  11.183
  173    HA   TRP  25           HA       TRP  25  18.687   3.319  10.444
  174   1HB   TRP  25          HB2       TRP  25  18.344   3.064   8.266
  175   2HB   TRP  25          HB3       TRP  25  16.629   3.086   8.538
  176    HD1  TRP  25           HD1      TRP  25  19.281   4.824   6.679
  177    HE1  TRP  25           HE1      TRP  25  18.363   6.880   5.472
  178    HE3  TRP  25           HE3      TRP  25  14.863   5.355   9.179
  179    HZ2  TRP  25           HZ2      TRP  25  16.272   8.821   5.898
  180    HZ3  TRP  25           HZ3      TRP  25  13.486   7.405   8.854
  181    HH2  TRP  25           HH2      TRP  25  14.211   9.158   7.237
  182    H    ALA  26           H        ALA  26  19.510   5.573   9.131
  183    HA   ALA  26           HA       ALA  26  18.239   7.957  10.076
  184   1HB   ALA  26          HB1       ALA  26  20.194   8.939  11.180
  185   2HB   ALA  26          HB2       ALA  26  19.721   7.482  12.053
  186   3HB   ALA  26          HB3       ALA  26  21.129   7.434  10.963
  187    HA   PRO  27           HA       PRO  27  19.944   8.633   6.040
  188   1HB   PRO  27          HB2       PRO  27  20.047  11.368   5.765
  189   2HB   PRO  27          HB3       PRO  27  18.556  10.387   5.698
  190   1HG   PRO  27          HG2       PRO  27  19.679  11.930   8.057
  191   2HG   PRO  27          HG3       PRO  27  17.980  11.860   7.485
  192   1HD   PRO  27          HD2       PRO  27  18.898  10.347   9.576
  193   2HD   PRO  27          HD3       PRO  27  17.643   9.743   8.451
  194    H    TRP  28           H        TRP  28  21.705   9.719   8.835
  195    HA   TRP  28           HA       TRP  28  24.120  10.378   7.427
  196   1HB   TRP  28          HB2       TRP  28  24.247   9.480  10.251
  197   2HB   TRP  28          HB3       TRP  28  25.002  10.858   9.468
  198    HD1  TRP  28           HD1      TRP  28  22.282   9.877  11.664
  199    HE1  TRP  28           HE1      TRP  28  20.512  11.687  12.053
  200    HE3  TRP  28           HE3      TRP  28  23.755  13.160   8.051
  201    HZ2  TRP  28           HZ2      TRP  28  19.844  14.287  10.926
  202    HZ3  TRP  28           HZ3      TRP  28  22.520  15.284   7.698
  203    HH2  TRP  28           HH2      TRP  28  20.568  15.856   9.128
  204    H    CYS  29           H        CYS  29  22.529   7.420   8.034
  205    HA   CYS  29           HA       CYS  29  24.623   5.649   8.699
  206   1HB   CYS  29          HB2       CYS  29  22.111   5.296   8.889
  207   2HB   CYS  29          HB3       CYS  29  22.068   5.133   7.159
  208    H    GLY  30           H        GLY  30  25.713   4.094   7.371
  209   1HA   GLY  30          HA2       GLY  30  26.014   4.775   4.475
  210   2HA   GLY  30          HA3       GLY  30  27.188   3.909   5.467
  211    HA   PRO  31           HA       PRO  31  25.559  -0.052   4.454
  212   1HB   PRO  31          HB2       PRO  31  24.576  -0.482   7.283
  213   2HB   PRO  31          HB3       PRO  31  25.484  -1.611   6.235
  214   1HG   PRO  31          HG2       PRO  31  26.784  -0.202   8.136
  215   2HG   PRO  31          HG3       PRO  31  27.495  -0.327   6.494
  216   1HD   PRO  31          HD2       PRO  31  25.944   1.967   7.702
  217   2HD   PRO  31          HD3       PRO  31  27.427   2.005   6.701
  218    H    CYS  32           H        CYS  32  23.191   1.844   6.364
  219    HA   CYS  32           HA       CYS  32  20.838   0.491   5.634
  220   1HB   CYS  32          HB2       CYS  32  21.110   3.496   5.885
  221   2HB   CYS  32          HB3       CYS  32  19.675   2.522   6.127
  222    H    LYS  33           H        LYS  33  22.827   2.778   3.741
  223    HA   LYS  33           HA       LYS  33  20.842   3.290   1.731
  224   1HB   LYS  33          HB2       LYS  33  23.866   3.496   1.473
  225   2HB   LYS  33          HB3       LYS  33  22.666   4.324   0.493
  226   1HG   LYS  33          HG2       LYS  33  23.140   4.810   3.473
  227   2HG   LYS  33          HG3       LYS  33  23.791   5.779   2.160
  228   1HD   LYS  33          HD2       LYS  33  21.595   6.555   1.513
  229   2HD   LYS  33          HD3       LYS  33  20.794   5.407   2.587
  230   1HE   LYS  33          HE2       LYS  33  20.815   7.747   3.482
  231   2HE   LYS  33          HE3       LYS  33  21.523   6.544   4.563
  232   1HZ   LYS  33          HZ1       LYS  33  23.175   8.257   2.798
  233   2HZ   LYS  33          HZ2       LYS  33  22.790   8.639   4.346
  234   3HZ   LYS  33          HZ3       LYS  33  23.671   7.303   4.065
  235    H    MET  34           H        MET  34  23.031   0.593   2.329
  236    HA   MET  34           HA       MET  34  23.039  -0.395  -0.370
  237   1HB   MET  34          HB2       MET  34  23.443  -1.956   2.205
  238   2HB   MET  34          HB3       MET  34  23.897  -2.460   0.577
  239   1HG   MET  34          HG2       MET  34  25.469  -0.487   0.484
  240   2HG   MET  34          HG3       MET  34  25.099  -0.174   2.178
  241   1HE   MET  34          HE1       MET  34  26.470  -3.580   3.829
  242   2HE   MET  34          HE2       MET  34  25.263  -2.282   3.992
  243   3HE   MET  34          HE3       MET  34  24.947  -3.661   2.921
  244    H    ILE  35           H        ILE  35  21.045  -1.013   2.557
  245    HA   ILE  35           HA       ILE  35  19.487  -2.992   1.129
  246    HB   ILE  35           HB       ILE  35  20.116  -3.326   3.460
  247   1HG1  ILE  35          HG12      ILE  35  17.106  -3.268   3.041
  248   2HG1  ILE  35          HG13      ILE  35  18.209  -4.507   2.434
  249   1HG2  ILE  35          HG21      ILE  35  18.160  -1.093   4.122
  250   2HG2  ILE  35          HG22      ILE  35  18.983  -2.147   5.294
  251   3HG2  ILE  35          HG23      ILE  35  19.933  -1.051   4.311
  252   1HD1  ILE  35          HD11      ILE  35  17.145  -5.345   4.404
  253   2HD1  ILE  35          HD12      ILE  35  18.828  -5.010   4.836
  254   3HD1  ILE  35          HD13      ILE  35  17.535  -3.896   5.338
  255    H    ALA  36           H        ALA  36  19.135   0.473   1.749
  256    HA   ALA  36           HA       ALA  36  16.440   0.841   1.543
  257   1HB   ALA  36          HB1       ALA  36  17.993   2.660   1.894
  258   2HB   ALA  36          HB2       ALA  36  18.605   2.528   0.234
  259   3HB   ALA  36          HB3       ALA  36  16.930   3.035   0.527
  260    HA   PRO  37           HA       PRO  37  16.148   0.533  -3.199
  261   1HB   PRO  37          HB2       PRO  37  18.064  -0.805  -4.666
  262   2HB   PRO  37          HB3       PRO  37  18.069   0.962  -4.378
  263   1HG   PRO  37          HG2       PRO  37  19.573  -1.180  -2.846
  264   2HG   PRO  37          HG3       PRO  37  20.206   0.367  -3.495
  265   1HD   PRO  37          HD2       PRO  37  19.485   0.143  -0.910
  266   2HD   PRO  37          HD3       PRO  37  19.099   1.626  -1.825
  267    H    VAL  38           H        VAL  38  17.552  -2.064  -1.251
  268    HA   VAL  38           HA       VAL  38  16.211  -4.184  -2.665
  269    HB   VAL  38           HB       VAL  38  17.277  -4.285   0.175
  270   1HG1  VAL  38          HG11      VAL  38  15.928  -6.221  -0.599
  271   2HG1  VAL  38          HG12      VAL  38  17.010  -6.412  -1.998
  272   3HG1  VAL  38          HG13      VAL  38  17.618  -6.650  -0.334
  273   1HG2  VAL  38          HG21      VAL  38  19.133  -3.452  -1.228
  274   2HG2  VAL  38          HG22      VAL  38  19.402  -5.140  -0.806
  275   3HG2  VAL  38          HG23      VAL  38  18.819  -4.719  -2.431
  276    H    LEU  39           H        LEU  39  15.486  -2.094   0.204
  277    HA   LEU  39           HA       LEU  39  12.954  -3.308   0.727
  278   1HB   LEU  39          HB2       LEU  39  14.026  -0.523   1.295
  279   2HB   LEU  39          HB3       LEU  39  12.441  -1.064   1.832
  280    HG   LEU  39           HG       LEU  39  14.996  -2.547   2.533
  281   1HD1  LEU  39          HD11      LEU  39  15.150  -0.272   3.407
  282   2HD1  LEU  39          HD12      LEU  39  13.549  -0.423   4.164
  283   3HD1  LEU  39          HD13      LEU  39  14.909  -1.426   4.727
  284   1HD2  LEU  39          HD21      LEU  39  12.888  -3.864   2.778
  285   2HD2  LEU  39          HD22      LEU  39  13.650  -3.539   4.339
  286   3HD2  LEU  39          HD23      LEU  39  12.232  -2.597   3.832
  287    H    GLU  40           H        GLU  40  13.910  -0.635  -1.494
  288    HA   GLU  40           HA       GLU  40  11.263  -0.180  -2.443
  289   1HB   GLU  40          HB2       GLU  40  13.924   0.138  -3.871
  290   2HB   GLU  40          HB3       GLU  40  12.370   0.612  -4.556
  291   1HG   GLU  40          HG2       GLU  40  11.970   2.127  -2.634
  292   2HG   GLU  40          HG3       GLU  40  13.543   1.703  -1.964
  293    H    GLU  41           H        GLU  41  13.694  -2.600  -3.499
  294    HA   GLU  41           HA       GLU  41  12.047  -3.774  -5.502
  295   1HB   GLU  41          HB2       GLU  41  14.339  -4.818  -3.821
  296   2HB   GLU  41          HB3       GLU  41  13.458  -5.871  -4.913
  297   1HG   GLU  41          HG2       GLU  41  14.720  -3.272  -5.860
  298   2HG   GLU  41          HG3       GLU  41  15.603  -4.795  -5.793
  299    H    LEU  42           H        LEU  42  12.313  -4.425  -2.003
  300    HA   LEU  42           HA       LEU  42  10.519  -6.604  -1.904
  301   1HB   LEU  42          HB2       LEU  42  12.067  -5.903  -0.068
  302   2HB   LEU  42          HB3       LEU  42  11.066  -4.481   0.213
  303    HG   LEU  42           HG       LEU  42   9.134  -5.971   0.780
  304   1HD1  LEU  42          HD11      LEU  42   9.726  -8.017  -0.379
  305   2HD1  LEU  42          HD12      LEU  42  11.240  -8.163   0.547
  306   3HD1  LEU  42          HD13      LEU  42   9.664  -8.356   1.352
  307   1HD2  LEU  42          HD21      LEU  42  10.444  -4.996   2.540
  308   2HD2  LEU  42          HD22      LEU  42  10.105  -6.674   2.991
  309   3HD2  LEU  42          HD23      LEU  42  11.708  -6.218   2.371
  310    H    ASP  43           H        ASP  43   9.917  -3.069  -1.663
  311    HA   ASP  43           HA       ASP  43   7.124  -3.185  -1.235
  312   1HB   ASP  43          HB2       ASP  43   8.546  -1.115  -1.090
  313   2HB   ASP  43          HB3       ASP  43   8.648  -1.111  -2.863
  314    H    GLN  44           H        GLN  44   9.061  -3.205  -4.224
  315    HA   GLN  44           HA       GLN  44   6.747  -3.299  -5.942
  316   1HB   GLN  44          HB2       GLN  44   9.710  -3.731  -6.426
  317   2HB   GLN  44          HB3       GLN  44   8.499  -3.741  -7.716
  318   1HG   GLN  44          HG2       GLN  44   7.859  -1.459  -7.288
  319   2HG   GLN  44          HG3       GLN  44   8.781  -1.384  -5.788
  320   1HE2  GLN  44          HE22      GLN  44  11.096  -1.407  -5.881
  321   2HE2  GLN  44          HE21      GLN  44  11.962  -0.888  -7.327
  322    H    GLU  45           H        GLU  45   8.217  -5.727  -4.023
  323    HA   GLU  45           HA       GLU  45   7.407  -7.978  -5.745
  324   1HB   GLU  45          HB2       GLU  45   8.883  -7.731  -3.123
  325   2HB   GLU  45          HB3       GLU  45   8.311  -9.280  -3.724
  326   1HG   GLU  45          HG2       GLU  45  10.003  -7.531  -5.521
  327   2HG   GLU  45          HG3       GLU  45  10.760  -8.444  -4.222
  328    H    MET  46           H        MET  46   6.648  -6.678  -2.459
  329    HA   MET  46           HA       MET  46   3.973  -7.993  -2.681
  330   1HB   MET  46          HB2       MET  46   5.760  -8.144  -0.236
  331   2HB   MET  46          HB3       MET  46   4.197  -8.932  -0.486
  332   1HG   MET  46          HG2       MET  46   5.299 -10.121  -2.492
  333   2HG   MET  46          HG3       MET  46   6.831  -9.537  -1.831
  334   1HE   MET  46          HE1       MET  46   7.325  -9.877   0.752
  335   2HE   MET  46          HE2       MET  46   5.673  -9.928   1.417
  336   3HE   MET  46          HE3       MET  46   6.789 -11.297   1.703
  337    H    GLY  47           H        GLY  47   4.976  -4.996  -2.653
  338   1HA   GLY  47          HA2       GLY  47   3.990  -3.741  -0.348
  339   2HA   GLY  47          HA3       GLY  47   3.957  -3.073  -1.986
  340    H    ASP  48           H        ASP  48   2.119  -5.644  -2.507
  341    HA   ASP  48           HA       ASP  48  -0.442  -4.341  -2.127
  342   1HB   ASP  48          HB2       ASP  48  -0.019  -5.764  -4.078
  343   2HB   ASP  48          HB3       ASP  48   0.302  -7.148  -3.028
  344    H    LYS  49           H        LYS  49   1.545  -6.675  -0.415
  345    HA   LYS  49           HA       LYS  49  -0.608  -7.306   1.556
  346   1HB   LYS  49          HB2       LYS  49   2.067  -8.703   1.002
  347   2HB   LYS  49          HB3       LYS  49   0.853  -9.217   2.155
  348   1HG   LYS  49          HG2       LYS  49   0.572  -9.189  -0.878
  349   2HG   LYS  49          HG3       LYS  49   0.785 -10.599   0.149
  350   1HD   LYS  49          HD2       LYS  49  -1.661  -8.774   0.101
  351   2HD   LYS  49          HD3       LYS  49  -1.528 -10.383  -0.615
  352   1HE   LYS  49          HE2       LYS  49  -1.119 -11.359   1.643
  353   2HE   LYS  49          HE3       LYS  49  -1.301  -9.754   2.365
  354   1HZ   LYS  49          HZ1       LYS  49  -3.417 -11.203   0.878
  355   2HZ   LYS  49          HZ2       LYS  49  -3.351 -11.017   2.494
  356   3HZ   LYS  49          HZ3       LYS  49  -3.588  -9.718   1.541
  357    H    LEU  50           H        LEU  50   2.530  -5.802   1.090
  358    HA   LEU  50           HA       LEU  50   2.989  -5.652   4.007
  359   1HB   LEU  50          HB2       LEU  50   4.585  -6.859   2.501
  360   2HB   LEU  50          HB3       LEU  50   4.826  -5.378   1.588
  361    HG   LEU  50           HG       LEU  50   5.869  -4.297   3.554
  362   1HD1  LEU  50          HD11      LEU  50   4.739  -5.474   5.409
  363   2HD1  LEU  50          HD12      LEU  50   5.469  -7.006   4.900
  364   3HD1  LEU  50          HD13      LEU  50   6.480  -5.689   5.528
  365   1HD2  LEU  50          HD21      LEU  50   7.048  -6.981   2.783
  366   2HD2  LEU  50          HD22      LEU  50   7.239  -5.436   1.932
  367   3HD2  LEU  50          HD23      LEU  50   7.926  -5.634   3.553
  368    H    LYS  51           H        LYS  51   3.942  -3.729   4.898
  369    HA   LYS  51           HA       LYS  51   3.882  -1.230   3.308
  370   1HB   LYS  51          HB2       LYS  51   1.884  -1.201   4.840
  371   2HB   LYS  51          HB3       LYS  51   2.944  -1.580   6.198
  372   1HG   LYS  51          HG2       LYS  51   4.212   0.602   5.647
  373   2HG   LYS  51          HG3       LYS  51   2.888   0.985   4.553
  374   1HD   LYS  51          HD2       LYS  51   2.653   0.447   7.551
  375   2HD   LYS  51          HD3       LYS  51   2.745   2.043   6.805
  376   1HE   LYS  51          HE2       LYS  51   0.634   1.576   5.554
  377   2HE   LYS  51          HE3       LYS  51   0.513   0.004   6.372
  378   1HZ   LYS  51          HZ1       LYS  51   0.428   1.191   8.477
  379   2HZ   LYS  51          HZ2       LYS  51   0.561   2.645   7.720
  380   3HZ   LYS  51          HZ3       LYS  51  -0.789   1.729   7.501
  381    H    ILE  52           H        ILE  52   5.777   0.017   3.832
  382    HA   ILE  52           HA       ILE  52   7.702  -1.334   5.666
  383    HB   ILE  52           HB       ILE  52   8.266   0.020   3.013
  384   1HG1  ILE  52          HG12      ILE  52   8.644  -2.883   3.884
  385   2HG1  ILE  52          HG13      ILE  52   7.375  -2.293   2.812
  386   1HG2  ILE  52          HG21      ILE  52  10.031   0.554   4.682
  387   2HG2  ILE  52          HG22      ILE  52  10.251  -1.183   4.995
  388   3HG2  ILE  52          HG23      ILE  52  10.643  -0.482   3.409
  389   1HD1  ILE  52          HD11      ILE  52   9.149  -1.523   1.201
  390   2HD1  ILE  52          HD12      ILE  52  10.337  -2.398   2.197
  391   3HD1  ILE  52          HD13      ILE  52   9.010  -3.275   1.422
  392    H    VAL  53           H        VAL  53   8.651   0.106   7.168
  393    HA   VAL  53           HA       VAL  53   7.668   2.944   7.028
  394    HB   VAL  53           HB       VAL  53   7.419   1.009   9.366
  395   1HG1  VAL  53          HG11      VAL  53   6.318   2.911  10.543
  396   2HG1  VAL  53          HG12      VAL  53   8.016   3.257  10.216
  397   3HG1  VAL  53          HG13      VAL  53   6.758   3.987   9.195
  398   1HG2  VAL  53          HG21      VAL  53   5.009   1.471   9.159
  399   2HG2  VAL  53          HG22      VAL  53   5.307   2.488   7.738
  400   3HG2  VAL  53          HG23      VAL  53   5.641   0.750   7.675
  401    H    LYS  54           H        LYS  54   9.564   3.985   6.616
  402    HA   LYS  54           HA       LYS  54  12.050   3.247   7.989
  403   1HB   LYS  54          HB2       LYS  54  11.336   5.790   6.464
  404   2HB   LYS  54          HB3       LYS  54  12.960   5.283   6.963
  405   1HG   LYS  54          HG2       LYS  54  12.701   3.212   5.553
  406   2HG   LYS  54          HG3       LYS  54  11.192   3.874   4.917
  407   1HD   LYS  54          HD2       LYS  54  13.945   5.164   4.677
  408   2HD   LYS  54          HD3       LYS  54  13.111   4.249   3.410
  409   1HE   LYS  54          HE2       LYS  54  11.242   5.917   3.461
  410   2HE   LYS  54          HE3       LYS  54  12.135   6.855   4.666
  411   1HZ   LYS  54          HZ1       LYS  54  13.075   6.299   1.910
  412   2HZ   LYS  54          HZ2       LYS  54  12.486   7.721   2.441
  413   3HZ   LYS  54          HZ3       LYS  54  13.901   7.162   3.027
  414    H    ILE  55           H        ILE  55  12.840   4.205   9.884
  415    HA   ILE  55           HA       ILE  55  11.484   6.601  10.912
  416    HB   ILE  55           HB       ILE  55  10.183   4.889  11.913
  417   1HG1  ILE  55          HG12      ILE  55  12.103   5.913  14.036
  418   2HG1  ILE  55          HG13      ILE  55  10.910   6.924  13.215
  419   1HG2  ILE  55          HG21      ILE  55  11.743   2.951  11.756
  420   2HG2  ILE  55          HG22      ILE  55  12.685   3.631  13.099
  421   3HG2  ILE  55          HG23      ILE  55  11.011   3.109  13.347
  422   1HD1  ILE  55          HD11      ILE  55   9.080   5.482  14.055
  423   2HD1  ILE  55          HD12      ILE  55  10.274   4.510  14.952
  424   3HD1  ILE  55          HD13      ILE  55  10.025   6.211  15.362
  425    H    ASP  56           H        ASP  56  12.895   8.025  11.594
  426    HA   ASP  56           HA       ASP  56  15.735   7.432  11.295
  427   1HB   ASP  56          HB2       ASP  56  14.850   9.414  10.253
  428   2HB   ASP  56          HB3       ASP  56  14.231  10.007  11.798
  429    H    VAL  57           H        VAL  57  16.702   6.503  13.062
  430    HA   VAL  57           HA       VAL  57  15.606   6.599  15.668
  431    HB   VAL  57           HB       VAL  57  17.641   5.513  16.418
  432   1HG1  VAL  57          HG11      VAL  57  16.817   4.411  13.702
  433   2HG1  VAL  57          HG12      VAL  57  17.475   3.511  15.086
  434   3HG1  VAL  57          HG13      VAL  57  15.870   4.262  15.192
  435   1HG2  VAL  57          HG21      VAL  57  19.509   4.980  14.913
  436   2HG2  VAL  57          HG22      VAL  57  18.803   5.992  13.640
  437   3HG2  VAL  57          HG23      VAL  57  19.379   6.726  15.150
  438    H    ASP  58           H        ASP  58  17.688   8.952  14.065
  439    HA   ASP  58           HA       ASP  58  18.933   9.991  16.437
  440   1HB   ASP  58          HB2       ASP  58  19.773  10.371  14.132
  441   2HB   ASP  58          HB3       ASP  58  18.357  11.376  13.795
  442    H    GLU  59           H        GLU  59  15.711  10.281  15.199
  443    HA   GLU  59           HA       GLU  59  15.096  12.469  17.152
  444   1HB   GLU  59          HB2       GLU  59  13.777  11.791  14.494
  445   2HB   GLU  59          HB3       GLU  59  13.192  13.003  15.643
  446   1HG   GLU  59          HG2       GLU  59  15.444  14.164  15.435
  447   2HG   GLU  59          HG3       GLU  59  15.798  13.090  14.079
  448    H    ASN  60           H        ASN  60  15.004   9.221  16.931
  449    HA   ASN  60           HA       ASN  60  12.362   8.927  18.277
  450   1HB   ASN  60          HB2       ASN  60  13.250   7.332  15.842
  451   2HB   ASN  60          HB3       ASN  60  11.877   6.938  16.868
  452   1HD2  ASN  60          HD22      ASN  60  12.995   9.035  14.320
  453   2HD2  ASN  60          HD21      ASN  60  11.481   9.887  14.084
  454    H    GLN  61           H        GLN  61  14.885   9.050  19.448
  455    HA   GLN  61           HA       GLN  61  16.145   6.587  19.969
  456   1HB   GLN  61          HB2       GLN  61  15.726   9.047  21.716
  457   2HB   GLN  61          HB3       GLN  61  16.757   7.695  22.181
  458   1HG   GLN  61          HG2       GLN  61  17.157   9.319  19.632
  459   2HG   GLN  61          HG3       GLN  61  17.977   9.643  21.156
  460   1HE2  GLN  61          HE22      GLN  61  17.957   7.675  18.299
  461   2HE2  GLN  61          HE21      GLN  61  19.329   6.657  18.720
  462    H    GLU  62           H        GLU  62  13.100   7.936  21.284
  463    HA   GLU  62           HA       GLU  62  12.816   6.055  23.397
  464   1HB   GLU  62          HB2       GLU  62  10.712   7.595  21.804
  465   2HB   GLU  62          HB3       GLU  62  10.389   6.707  23.293
  466   1HG   GLU  62          HG2       GLU  62  12.253   9.107  23.024
  467   2HG   GLU  62          HG3       GLU  62  10.623   9.134  23.677
  468    H    THR  63           H        THR  63  11.541   5.992  19.980
  469    HA   THR  63           HA       THR  63  10.231   3.506  20.305
  470    HB   THR  63           HB       THR  63  11.304   4.382  17.677
  471    HG1  THR  63           HG1      THR  63   9.229   5.749  19.054
  472   1HG2  THR  63          HG21      THR  63   9.034   3.862  16.872
  473   2HG2  THR  63          HG22      THR  63   9.724   2.493  17.747
  474   3HG2  THR  63          HG23      THR  63   8.513   3.518  18.535
  475    H    ALA  64           H        ALA  64  13.510   4.378  19.146
  476    HA   ALA  64           HA       ALA  64  14.399   1.753  18.515
  477   1HB   ALA  64          HB1       ALA  64  16.687   2.755  18.879
  478   2HB   ALA  64          HB2       ALA  64  15.646   3.789  17.881
  479   3HB   ALA  64          HB3       ALA  64  15.929   4.181  19.590
  480    H    GLY  65           H        GLY  65  14.613   3.581  21.624
  481   1HA   GLY  65          HA2       GLY  65  15.831   1.541  23.158
  482   2HA   GLY  65          HA3       GLY  65  14.834   2.875  23.771
  483    H    LYS  66           H        LYS  66  12.461   2.034  22.206
  484    HA   LYS  66           HA       LYS  66  11.053   0.471  24.024
  485   1HB   LYS  66          HB2       LYS  66  10.431   1.964  21.874
  486   2HB   LYS  66          HB3       LYS  66  10.229   0.370  21.169
  487   1HG   LYS  66          HG2       LYS  66   8.670  -0.264  22.966
  488   2HG   LYS  66          HG3       LYS  66   8.988   1.243  23.841
  489   1HD   LYS  66          HD2       LYS  66   7.773   1.086  21.081
  490   2HD   LYS  66          HD3       LYS  66   6.846   1.213  22.592
  491   1HE   LYS  66          HE2       LYS  66   7.861   3.399  23.090
  492   2HE   LYS  66          HE3       LYS  66   8.900   3.274  21.679
  493   1HZ   LYS  66          HZ1       LYS  66   5.997   3.717  21.708
  494   2HZ   LYS  66          HZ2       LYS  66   7.175   4.630  21.001
  495   3HZ   LYS  66          HZ3       LYS  66   6.757   3.195  20.355
  496    H    TYR  67           H        TYR  67  13.040  -0.585  21.271
  497    HA   TYR  67           HA       TYR  67  12.544  -3.424  22.091
  498   1HB   TYR  67          HB2       TYR  67  13.472  -2.715  19.341
  499   2HB   TYR  67          HB3       TYR  67  12.556  -4.111  19.882
  500    HD1  TYR  67           HD1      TYR  67  12.455  -0.859  18.375
  501    HD2  TYR  67           HD2      TYR  67  10.057  -3.630  20.655
  502    HE1  TYR  67           HE1      TYR  67  10.467   0.431  17.823
  503    HE2  TYR  67           HE2      TYR  67   8.017  -2.360  20.053
  504    HH   TYR  67           HH       TYR  67   7.158  -0.499  18.944
  505    H    GLY  68           H        GLY  68  14.751  -1.208  22.723
  506   1HA   GLY  68          HA2       GLY  68  16.965  -1.220  23.225
  507   2HA   GLY  68          HA3       GLY  68  16.931  -2.985  23.093
  508    H    VAL  69           H        VAL  69  16.122  -0.809  20.371
  509    HA   VAL  69           HA       VAL  69  18.154  -1.936  18.632
  510    HB   VAL  69           HB       VAL  69  16.491   0.603  18.356
  511   1HG1  VAL  69          HG11      VAL  69  18.401   0.665  16.838
  512   2HG1  VAL  69          HG12      VAL  69  18.052  -0.983  16.281
  513   3HG1  VAL  69          HG13      VAL  69  16.929   0.346  15.920
  514   1HG2  VAL  69          HG21      VAL  69  14.979  -1.275  18.529
  515   2HG2  VAL  69          HG22      VAL  69  15.036  -0.752  16.851
  516   3HG2  VAL  69          HG23      VAL  69  15.925  -2.211  17.350
  517    H    MET  70           H        MET  70  20.247  -1.381  18.596
  518    HA   MET  70           HA       MET  70  21.158   1.216  19.730
  519   1HB   MET  70          HB2       MET  70  21.240  -0.772  21.339
  520   2HB   MET  70          HB3       MET  70  22.454  -1.484  20.270
  521   1HG   MET  70          HG2       MET  70  23.957   0.421  20.703
  522   2HG   MET  70          HG3       MET  70  22.679   1.250  21.593
  523   1HE   MET  70          HE1       MET  70  25.053  -2.444  23.104
  524   2HE   MET  70          HE2       MET  70  23.880  -2.595  21.782
  525   3HE   MET  70          HE3       MET  70  25.342  -1.605  21.565
  526    H    SER  71           H        SER  71  20.975  -0.580  16.991
  527    HA   SER  71           HA       SER  71  23.337   0.577  15.767
  528   1HB   SER  71          HB2       SER  71  22.677  -2.401  15.567
  529   2HB   SER  71          HB3       SER  71  23.987  -1.560  14.725
  530    HG   SER  71           HG       SER  71  24.713  -2.684  16.586
  531    H    ILE  72           H        ILE  72  23.062   0.392  13.329
  532    HA   ILE  72           HA       ILE  72  20.380  -0.250  12.392
  533    HB   ILE  72           HB       ILE  72  20.204   1.890  11.152
  534   1HG1  ILE  72          HG12      ILE  72  22.359   2.970  13.018
  535   2HG1  ILE  72          HG13      ILE  72  22.619   2.577  11.316
  536   1HG2  ILE  72          HG21      ILE  72  19.173   3.124  12.936
  537   2HG2  ILE  72          HG22      ILE  72  18.982   1.412  13.308
  538   3HG2  ILE  72          HG23      ILE  72  20.214   2.366  14.154
  539   1HD1  ILE  72          HD11      ILE  72  20.897   4.222  10.659
  540   2HD1  ILE  72          HD12      ILE  72  20.702   4.699  12.361
  541   3HD1  ILE  72          HD13      ILE  72  22.250   4.957  11.538
  542    HA   PRO  73           HA       PRO  73  19.472   0.241   9.973
  543   1HB   PRO  73          HB2       PRO  73  18.965  -1.680   8.098
  544   2HB   PRO  73          HB3       PRO  73  19.672  -0.090   7.701
  545   1HG   PRO  73          HG2       PRO  73  21.103  -2.727   8.111
  546   2HG   PRO  73          HG3       PRO  73  21.350  -1.532   6.803
  547   1HD   PRO  73          HD2       PRO  73  22.966  -1.641   9.007
  548   2HD   PRO  73          HD3       PRO  73  22.553  -0.087   8.228
  549    H    THR  74           H        THR  74  17.831  -0.720  11.100
  550    HA   THR  74           HA       THR  74  18.105  -3.592  11.844
  551    HB   THR  74           HB       THR  74  17.555  -1.263  13.722
  552    HG1  THR  74           HG1      THR  74  19.531  -1.629  14.255
  553   1HG2  THR  74          HG21      THR  74  15.985  -2.971  14.368
  554   2HG2  THR  74          HG22      THR  74  17.183  -4.261  14.154
  555   3HG2  THR  74          HG23      THR  74  17.354  -3.093  15.479
  556    H    LEU  75           H        LEU  75  16.194  -4.695  11.830
  557    HA   LEU  75           HA       LEU  75  13.937  -3.289  10.502
  558   1HB   LEU  75          HB2       LEU  75  15.087  -6.076  10.149
  559   2HB   LEU  75          HB3       LEU  75  13.542  -5.576   9.481
  560    HG   LEU  75           HG       LEU  75  16.205  -4.261   8.775
  561   1HD1  LEU  75          HD11      LEU  75  16.173  -6.603   8.047
  562   2HD1  LEU  75          HD12      LEU  75  14.594  -6.364   7.268
  563   3HD1  LEU  75          HD13      LEU  75  16.035  -5.519   6.659
  564   1HD2  LEU  75          HD21      LEU  75  13.446  -4.051   7.478
  565   2HD2  LEU  75          HD22      LEU  75  14.281  -2.773   8.379
  566   3HD2  LEU  75          HD23      LEU  75  14.946  -3.335   6.844
  567    H    LEU  76           H        LEU  76  11.979  -3.546  11.488
  568    HA   LEU  76           HA       LEU  76  11.728  -5.558  13.714
  569   1HB   LEU  76          HB2       LEU  76  10.907  -2.629  13.638
  570   2HB   LEU  76          HB3       LEU  76   9.979  -3.793  14.554
  571    HG   LEU  76           HG       LEU  76  11.552  -2.427  15.910
  572   1HD1  LEU  76          HD11      LEU  76  10.720  -4.553  16.758
  573   2HD1  LEU  76          HD12      LEU  76  12.021  -5.439  15.935
  574   3HD1  LEU  76          HD13      LEU  76  12.400  -4.322  17.261
  575   1HD2  LEU  76          HD21      LEU  76  13.777  -4.096  14.683
  576   2HD2  LEU  76          HD22      LEU  76  13.435  -2.420  14.231
  577   3HD2  LEU  76          HD23      LEU  76  13.911  -2.811  15.896
  578    H    VAL  77           H        VAL  77  10.087  -6.920  13.200
  579    HA   VAL  77           HA       VAL  77   8.375  -6.107  10.898
  580    HB   VAL  77           HB       VAL  77   8.632  -8.945  11.815
  581   1HG1  VAL  77          HG11      VAL  77   8.225  -9.348   9.396
  582   2HG1  VAL  77          HG12      VAL  77   6.997  -8.266  10.079
  583   3HG1  VAL  77          HG13      VAL  77   8.310  -7.595   9.089
  584   1HG2  VAL  77          HG21      VAL  77  10.756  -7.569  10.124
  585   2HG2  VAL  77          HG22      VAL  77  10.996  -8.433  11.640
  586   3HG2  VAL  77          HG23      VAL  77  10.507  -9.326  10.201
  587    H    LEU  78           H        LEU  78   6.314  -5.693  11.460
  588    HA   LEU  78           HA       LEU  78   5.402  -6.557  14.150
  589   1HB   LEU  78          HB2       LEU  78   4.833  -3.891  12.771
  590   2HB   LEU  78          HB3       LEU  78   4.111  -4.465  14.264
  591    HG   LEU  78           HG       LEU  78   6.733  -4.690  14.961
  592   1HD1  LEU  78          HD11      LEU  78   7.961  -2.687  14.206
  593   2HD1  LEU  78          HD12      LEU  78   7.611  -3.784  12.863
  594   3HD1  LEU  78          HD13      LEU  78   6.660  -2.315  13.063
  595   1HD2  LEU  78          HD21      LEU  78   6.507  -2.588  16.179
  596   2HD2  LEU  78          HD22      LEU  78   5.131  -2.115  15.168
  597   3HD2  LEU  78          HD23      LEU  78   5.003  -3.512  16.254
  598    H    LYS  79           H        LYS  79   3.141  -6.980  14.263
  599    HA   LYS  79           HA       LYS  79   1.681  -6.929  11.693
  600   1HB   LYS  79          HB2       LYS  79   2.549  -9.247  11.938
  601   2HB   LYS  79          HB3       LYS  79   1.705  -9.375  13.500
  602   1HG   LYS  79          HG2       LYS  79  -0.454  -9.028  12.398
  603   2HG   LYS  79          HG3       LYS  79   0.359  -8.767  10.839
  604   1HD   LYS  79          HD2       LYS  79   1.211 -11.095  10.911
  605   2HD   LYS  79          HD3       LYS  79   0.361 -11.358  12.450
  606   1HE   LYS  79          HE2       LYS  79  -1.804 -10.919  11.358
  607   2HE   LYS  79          HE3       LYS  79  -0.986 -10.514   9.842
  608   1HZ   LYS  79          HZ1       LYS  79  -1.822 -12.764   9.790
  609   2HZ   LYS  79          HZ2       LYS  79  -0.186 -12.788   9.721
  610   3HZ   LYS  79          HZ3       LYS  79  -0.965 -13.186  11.113
  611    H    ASP  80           H        ASP  80  -0.078  -5.798  12.027
  612    HA   ASP  80           HA       ASP  80  -1.818  -4.754  12.995
  613   1HB   ASP  80          HB2       ASP  80  -2.642  -7.057  12.735
  614   2HB   ASP  80          HB3       ASP  80  -2.150  -7.427  14.389
  615    H    GLY  81           H        GLY  81   0.617  -4.137  14.242
  616   1HA   GLY  81          HA2       GLY  81   0.924  -2.467  15.788
  617   2HA   GLY  81          HA3       GLY  81  -0.466  -3.013  16.721
  618    H    GLU  82           H        GLU  82   1.518  -5.780  16.228
  619    HA   GLU  82           HA       GLU  82   3.132  -5.166  18.664
  620   1HB   GLU  82          HB2       GLU  82   2.732  -7.247  19.559
  621   2HB   GLU  82          HB3       GLU  82   1.152  -6.765  18.942
  622   1HG   GLU  82          HG2       GLU  82   1.563  -8.229  16.923
  623   2HG   GLU  82          HG3       GLU  82   3.076  -8.761  17.643
  624    H    VAL  83           H        VAL  83   5.287  -5.982  18.676
  625    HA   VAL  83           HA       VAL  83   6.535  -6.469  16.083
  626    HB   VAL  83           HB       VAL  83   7.624  -6.826  18.906
  627   1HG1  VAL  83          HG11      VAL  83   9.848  -6.691  17.799
  628   2HG1  VAL  83          HG12      VAL  83   8.942  -8.094  17.239
  629   3HG1  VAL  83          HG13      VAL  83   9.055  -6.652  16.208
  630   1HG2  VAL  83          HG21      VAL  83   7.009  -4.456  18.479
  631   2HG2  VAL  83          HG22      VAL  83   8.758  -4.675  18.540
  632   3HG2  VAL  83          HG23      VAL  83   7.956  -4.485  16.975
  633    H    VAL  84           H        VAL  84   6.676  -8.306  15.072
  634    HA   VAL  84           HA       VAL  84   6.212 -10.846  16.545
  635    HB   VAL  84           HB       VAL  84   5.268 -11.734  14.490
  636   1HG1  VAL  84          HG11      VAL  84   3.117 -10.732  14.621
  637   2HG1  VAL  84          HG12      VAL  84   3.819 -10.737  16.241
  638   3HG1  VAL  84          HG13      VAL  84   3.772  -9.230  15.299
  639   1HG2  VAL  84          HG21      VAL  84   6.368 -10.196  12.826
  640   2HG2  VAL  84          HG22      VAL  84   4.614 -10.311  12.610
  641   3HG2  VAL  84          HG23      VAL  84   5.315  -8.887  13.388
  642    H    GLU  85           H        GLU  85   8.556  -9.018  14.605
  643    HA   GLU  85           HA       GLU  85  10.429 -11.177  15.174
  644   1HB   GLU  85          HB2       GLU  85   9.275 -10.957  12.492
  645   2HB   GLU  85          HB3       GLU  85  10.991 -10.635  12.425
  646   1HG   GLU  85          HG2       GLU  85   9.848 -13.123  13.748
  647   2HG   GLU  85          HG3       GLU  85  10.280 -13.009  12.048
  648    H    THR  86           H        THR  86  12.715 -10.505  14.512
  649    HA   THR  86           HA       THR  86  13.087  -7.634  13.974
  650    HB   THR  86           HB       THR  86  14.379  -9.040  16.340
  651    HG1  THR  86           HG1      THR  86  11.960  -7.912  16.119
  652   1HG2  THR  86          HG21      THR  86  15.001  -6.721  17.052
  653   2HG2  THR  86          HG22      THR  86  15.773  -7.218  15.541
  654   3HG2  THR  86          HG23      THR  86  14.385  -6.116  15.498
  655    H    SER  87           H        SER  87  15.022  -7.275  12.861
  656    HA   SER  87           HA       SER  87  17.048  -9.404  12.635
  657   1HB   SER  87          HB2       SER  87  15.635  -8.192  10.214
  658   2HB   SER  87          HB3       SER  87  17.046  -9.258  10.169
  659    HG   SER  87           HG       SER  87  15.143 -10.428   9.823
  660    H    VAL  88           H        VAL  88  19.100  -8.495  11.743
  661    HA   VAL  88           HA       VAL  88  19.269  -5.528  11.938
  662    HB   VAL  88           HB       VAL  88  21.078  -7.523  13.346
  663   1HG1  VAL  88          HG11      VAL  88  20.969  -4.476  13.455
  664   2HG1  VAL  88          HG12      VAL  88  21.980  -5.500  14.496
  665   3HG1  VAL  88          HG13      VAL  88  22.273  -5.463  12.759
  666   1HG2  VAL  88          HG21      VAL  88  18.936  -5.716  14.549
  667   2HG2  VAL  88          HG22      VAL  88  18.919  -7.491  14.541
  668   3HG2  VAL  88          HG23      VAL  88  20.137  -6.634  15.476
  669    H    GLY  89           H        GLY  89  20.858  -4.620  10.588
  670   1HA   GLY  89          HA2       GLY  89  22.574  -4.531   9.059
  671   2HA   GLY  89          HA3       GLY  89  22.862  -6.260   9.264
  672    H    PHE  90           H        PHE  90  23.183  -5.775   6.837
  673    HA   PHE  90           HA       PHE  90  20.985  -5.339   5.096
  674   1HB   PHE  90          HB2       PHE  90  23.360  -5.023   4.498
  675   2HB   PHE  90          HB3       PHE  90  23.646  -6.752   4.650
  676    HD1  PHE  90           HD1      PHE  90  22.853  -8.334   2.922
  677    HD2  PHE  90           HD2      PHE  90  22.160  -4.089   2.565
  678    HE1  PHE  90           HE1      PHE  90  22.202  -8.637   0.547
  679    HE2  PHE  90           HE2      PHE  90  21.530  -4.400   0.183
  680    HZ   PHE  90           HZ       PHE  90  21.537  -6.672  -0.824
  681    H    LYS  91           H        LYS  91  19.771  -6.804   3.808
  682    HA   LYS  91           HA       LYS  91  20.223  -9.649   3.938
  683   1HB   LYS  91          HB2       LYS  91  17.664  -8.418   5.059
  684   2HB   LYS  91          HB3       LYS  91  17.600  -9.927   4.166
  685   1HG   LYS  91          HG2       LYS  91  17.939 -10.937   6.120
  686   2HG   LYS  91          HG3       LYS  91  19.630 -10.553   5.857
  687   1HD   LYS  91          HD2       LYS  91  19.045  -8.313   7.179
  688   2HD   LYS  91          HD3       LYS  91  17.585  -9.193   7.638
  689   1HE   LYS  91          HE2       LYS  91  19.026  -9.786   9.388
  690   2HE   LYS  91          HE3       LYS  91  19.232 -11.140   8.273
  691   1HZ   LYS  91          HZ1       LYS  91  21.392 -10.539   8.753
  692   2HZ   LYS  91          HZ2       LYS  91  21.176  -9.608   7.404
  693   3HZ   LYS  91          HZ3       LYS  91  21.056  -8.949   8.907
  694    HA   PRO  92           HA       PRO  92  18.968  -8.685  -0.260
  695   1HB   PRO  92          HB2       PRO  92  18.690 -11.189  -1.331
  696   2HB   PRO  92          HB3       PRO  92  20.280 -10.494  -0.896
  697   1HG   PRO  92          HG2       PRO  92  18.564 -12.382   0.746
  698   2HG   PRO  92          HG3       PRO  92  20.313 -12.518   0.375
  699   1HD   PRO  92          HD2       PRO  92  19.407 -11.449   2.719
  700   2HD   PRO  92          HD3       PRO  92  20.865 -10.813   1.904
  701    H    LYS  93           H        LYS  93  17.083  -8.891  -1.681
  702    HA   LYS  93           HA       LYS  93  14.662  -8.574  -0.307
  703   1HB   LYS  93          HB2       LYS  93  13.596  -8.520  -2.522
  704   2HB   LYS  93          HB3       LYS  93  15.035  -7.522  -2.420
  705   1HG   LYS  93          HG2       LYS  93  16.273  -9.577  -3.515
  706   2HG   LYS  93          HG3       LYS  93  14.636 -10.132  -3.913
  707   1HD   LYS  93          HD2       LYS  93  14.227  -7.928  -5.037
  708   2HD   LYS  93          HD3       LYS  93  15.906  -7.455  -4.651
  709   1HE   LYS  93          HE2       LYS  93  16.620  -9.570  -5.931
  710   2HE   LYS  93          HE3       LYS  93  14.932  -9.733  -6.435
  711   1HZ   LYS  93          HZ1       LYS  93  16.771  -7.512  -7.099
  712   2HZ   LYS  93          HZ2       LYS  93  16.109  -8.582  -8.132
  713   3HZ   LYS  93          HZ3       LYS  93  15.166  -7.443  -7.418
  714    H    GLU  94           H        GLU  94  15.939 -11.544  -1.740
  715    HA   GLU  94           HA       GLU  94  13.519 -13.040  -1.555
  716   1HB   GLU  94          HB2       GLU  94  15.504 -13.738  -2.856
  717   2HB   GLU  94          HB3       GLU  94  16.412 -13.988  -1.358
  718   1HG   GLU  94          HG2       GLU  94  14.808 -15.752  -0.672
  719   2HG   GLU  94          HG3       GLU  94  13.842 -15.452  -2.119
  720    H    ALA  95           H        ALA  95  16.261 -12.619   0.771
  721    HA   ALA  95           HA       ALA  95  15.121 -14.255   2.805
  722   1HB   ALA  95          HB1       ALA  95  16.788 -13.186   4.281
  723   2HB   ALA  95          HB2       ALA  95  17.522 -13.691   2.746
  724   3HB   ALA  95          HB3       ALA  95  17.131 -11.976   3.030
  725    H    LEU  96           H        LEU  96  14.914 -10.763   2.091
  726    HA   LEU  96           HA       LEU  96  13.386 -10.054   4.381
  727   1HB   LEU  96          HB2       LEU  96  13.427  -8.858   1.595
  728   2HB   LEU  96          HB3       LEU  96  12.594  -8.145   2.970
  729    HG   LEU  96           HG       LEU  96  15.606  -8.577   2.813
  730   1HD1  LEU  96          HD11      LEU  96  15.789  -6.193   2.527
  731   2HD1  LEU  96          HD12      LEU  96  14.684  -6.800   1.289
  732   3HD1  LEU  96          HD13      LEU  96  14.037  -5.974   2.720
  733   1HD2  LEU  96          HD21      LEU  96  13.882  -7.251   4.942
  734   2HD2  LEU  96          HD22      LEU  96  14.913  -8.689   5.135
  735   3HD2  LEU  96          HD23      LEU  96  15.649  -7.117   4.840
  736    H    GLN  97           H        GLN  97  12.307 -11.130   1.123
  737    HA   GLN  97           HA       GLN  97   9.534 -10.931   1.743
  738   1HB   GLN  97          HB2       GLN  97  11.114 -12.648  -0.233
  739   2HB   GLN  97          HB3       GLN  97   9.366 -12.849  -0.052
  740   1HG   GLN  97          HG2       GLN  97   8.924 -10.587  -0.679
  741   2HG   GLN  97          HG3       GLN  97  10.642 -10.171  -0.636
  742   1HE2  GLN  97          HE22      GLN  97  11.977 -10.682  -2.369
  743   2HE2  GLN  97          HE21      GLN  97  11.266 -11.068  -3.946
  744    H    GLU  98           H        GLU  98  11.891 -13.572   2.235
  745    HA   GLU  98           HA       GLU  98   9.962 -15.438   3.194
  746   1HB   GLU  98          HB2       GLU  98  12.963 -15.201   3.590
  747   2HB   GLU  98          HB3       GLU  98  12.037 -16.502   4.328
  748   1HG   GLU  98          HG2       GLU  98  12.048 -15.951   1.330
  749   2HG   GLU  98          HG3       GLU  98  13.142 -17.070   2.132
  750    H    LEU  99           H        LEU  99  11.912 -12.991   4.914
  751    HA   LEU  99           HA       LEU  99  11.145 -13.616   7.552
  752   1HB   LEU  99          HB2       LEU  99  13.043 -12.213   6.951
  753   2HB   LEU  99          HB3       LEU  99  11.996 -11.071   6.121
  754    HG   LEU  99           HG       LEU  99  10.914 -10.478   8.249
  755   1HD1  LEU  99          HD11      LEU  99  13.061 -12.308   9.423
  756   2HD1  LEU  99          HD12      LEU  99  12.140 -11.129  10.376
  757   3HD1  LEU  99          HD13      LEU  99  11.299 -12.475   9.595
  758   1HD2  LEU  99          HD21      LEU  99  12.880  -9.171   9.090
  759   2HD2  LEU  99          HD22      LEU  99  13.934 -10.165   8.050
  760   3HD2  LEU  99          HD23      LEU  99  12.698  -9.120   7.329
  761    H    VAL 100           H        VAL 100   9.670 -11.361   5.131
  762    HA   VAL 100           HA       VAL 100   7.474 -10.549   6.746
  763    HB   VAL 100           HB       VAL 100   7.850 -10.794   3.737
  764   1HG1  VAL 100          HG11      VAL 100   5.653  -9.357   5.262
  765   2HG1  VAL 100          HG12      VAL 100   6.025  -9.081   3.548
  766   3HG1  VAL 100          HG13      VAL 100   5.476 -10.670   4.081
  767   1HG2  VAL 100          HG21      VAL 100   7.896  -8.183   5.256
  768   2HG2  VAL 100          HG22      VAL 100   9.360  -9.156   5.112
  769   3HG2  VAL 100          HG23      VAL 100   8.559  -8.613   3.647
  770    H    ASN 101           H        ASN 101   7.930 -13.272   4.501
  771    HA   ASN 101           HA       ASN 101   5.280 -14.174   4.391
  772   1HB   ASN 101          HB2       ASN 101   7.295 -14.776   2.900
  773   2HB   ASN 101          HB3       ASN 101   7.691 -15.999   4.110
  774   1HD2  ASN 101          HD22      ASN 101   5.569 -15.026   1.504
  775   2HD2  ASN 101          HD21      ASN 101   4.627 -16.493   1.430
  776    H    LYS 102           H        LYS 102   7.687 -14.710   6.912
  777    HA   LYS 102           HA       LYS 102   6.570 -16.931   8.259
  778   1HB   LYS 102          HB2       LYS 102   7.765 -14.401   9.463
  779   2HB   LYS 102          HB3       LYS 102   7.461 -15.898  10.336
  780   1HG   LYS 102          HG2       LYS 102   9.101 -17.062   8.814
  781   2HG   LYS 102          HG3       LYS 102   9.484 -15.476   8.111
  782   1HD   LYS 102          HD2       LYS 102  10.065 -14.634  10.397
  783   2HD   LYS 102          HD3       LYS 102   9.776 -16.263  11.038
  784   1HE   LYS 102          HE2       LYS 102  11.543 -17.107   9.411
  785   2HE   LYS 102          HE3       LYS 102  11.898 -15.420   9.016
  786   1HZ   LYS 102          HZ1       LYS 102  12.198 -16.694  11.673
  787   2HZ   LYS 102          HZ2       LYS 102  13.404 -16.202  10.698
  788   3HZ   LYS 102          HZ3       LYS 102  12.436 -15.094  11.424
  789    H    HIS 103           H        HIS 103   5.281 -13.653   7.933
  790    HA   HIS 103           HA       HIS 103   3.261 -14.225  10.058
  791   1HB   HIS 103          HB2       HIS 103   4.461 -11.563   9.229
  792   2HB   HIS 103          HB3       HIS 103   3.362 -11.857  10.578
  793    HD1  HIS 103           HD1      HIS 103   4.517 -13.765  12.467
  794    HD2  HIS 103           HD2      HIS 103   6.994 -11.620   9.820
  795    HE1  HIS 103           HE1      HIS 103   6.883 -13.931  13.395
  796    H    LEU 104           H        LEU 104   3.554 -13.620   6.677
  797    HA   LEU 104           HA       LEU 104   1.093 -12.248   6.218
  798   1HB   LEU 104          HB2       LEU 104   2.532 -14.322   4.509
  799   2HB   LEU 104          HB3       LEU 104   1.127 -13.404   3.992
  800    HG   LEU 104           HG       LEU 104   3.855 -12.250   4.671
  801   1HD1  LEU 104          HD11      LEU 104   3.959 -11.724   2.275
  802   2HD1  LEU 104          HD12      LEU 104   3.727 -13.462   2.516
  803   3HD1  LEU 104          HD13      LEU 104   2.357 -12.447   2.025
  804   1HD2  LEU 104          HD21      LEU 104   2.221 -10.579   5.306
  805   2HD2  LEU 104          HD22      LEU 104   2.904 -10.097   3.757
  806   3HD2  LEU 104          HD23      LEU 104   1.291 -10.845   3.817