*HEADER    ELECTRON TRANSPORT                      12-MAY-06   2GZY              
*TITLE     SOLUTION STRUCTURES OF THE REDUCED FORM OF THIOREDOXIN FROM           
*TITLE    2 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 2GZY    0                                                


#
# 10 SER  HA           12 SER  HN          3.60    (#    937:10  Unique         3.57, 3.61 A)
 &rst
  ixpk= 937, nxpk= 10, iat= 143, 172, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 10 SER  HB+          10 SER  HN          3.50    (#   1022:10  Unique         2.85, 3.39 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 145, 146,
 &end
#
# 13 ALA  MB           10 SER  HB+         4.50    (#   2214:20  Unique         2.82, 4.92 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 187, 188, 189,
 igr2= 145, 146,
 &end
#
# 14 GLU  HB+          10 SER  HB+         5.50    (#   2216:20  Unique         4.75, 5.77 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 197, 198,
 igr2= 145, 146,
 &end
#
# 10 SER  HB+          14 GLU  HG+         4.50    (#    884:20  Unique         3.27, 4.17 A)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 145, 146,
 igr2= 200, 201,
 &end
#
# 6 ALA  MB           10 SER  HB+         4.50    (#   2215:20  Unique         3.46, 5.48 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  92,  93,  94,
 igr2= 145, 146,
 &end
#
# 10 SER  HB+           7 THR  HN          5.50    (#   1517:10  Unique         3.48, 4.46 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 145, 146,
 &end
#
# 10 SER  HB-          10 SER  HN          2.80    (#   1024:10  Unique         2.85, 3.39 A)
 &rst
  ixpk= 1024, 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          5.50    (#   1278:10  Unique         3.58, 4.08 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 145, 146,
 &end
#
# 13 ALA  MB           10 SER  HB-         5.50    (#   2230:20  Unique         2.82, 4.92 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 187, 188, 189,
 igr2= 145, 146,
 &end
#
# 10 SER  HB-          14 GLU  HG+         4.50    (#    875:20  Unique         3.27, 4.17 A)
 &rst
  ixpk= 875, 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-           7 THR  HN          5.50    (#   1518:10  Unique         3.48, 4.46 A)
 &rst
  ixpk= 1518, 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    (#   1516:10  Unique         4.32, 4.45 A)
 &rst
  ixpk= 1516, 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    (#   1515:10  Unique         3.91, 4.17 A)
 &rst
  ixpk= 1515, 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    (#   1514:10  Unique         3.91, 4.17 A)
 &rst
  ixpk= 1514, 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    (#   1019:10  Unique         1.93, 2.03 A)
 &rst
  ixpk= 1019, nxpk= 10, iat= 152, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 10 SER  HN            6 ALA  MB          5.50    (#   2438:20  Unique         3.99, 5.41 A)
 &rst
  ixpk= 2438, nxpk= 20, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
# 10 SER  HN            7 THR  HN          2.90    (#   1222:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 1222, nxpk= 10, iat= 141,  98, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 8 ASP  HN           10 SER  HN          5.50    (#   1543:10  Unique         4.46, 4.58 A)
 &rst
  ixpk= 1543, nxpk= 10, iat= 112, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 GLN  HA           10 SER  HN          3.50    (#   1023:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1023, 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    (#   1026:10  Unique         2.54, 3.37 A)
 &rst
  ixpk= 1026, 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    (#   1020:10  Unique         2.62, 2.68 A)
 &rst
  ixpk= 1020, 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    (#   2882:20  Unique         3.02, 3.04 A)
 &rst
  ixpk= 2882, nxpk= 20, iat=1520,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 100 VAL  HA          100 VAL  HN          2.80    (#   1109:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=1520,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  HA          100 VAL  MGY         3.50    (#   1348:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 100 VAL  HA          101 ASN  HN          4.50    (#    701:10  Unique         3.67, 3.68 A)
 &rst
  ixpk= 701, nxpk= 10, iat=1520,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 100 VAL  HA          102 LYS  HN          5.50    (#   1492:10  Unique         4.28, 4.34 A)
 &rst
  ixpk= 1492, nxpk= 10, iat=1520,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 HIS  HB+         100 VAL  HA          4.50    (#     69:20  Unique         2.34, 3.61 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1574,1575,
 &end
#
# 103 HIS  HD2         100 VAL  HA          4.50    (#     71:20  Unique         2.71, 3.22 A)
 &rst
  ixpk= 71, nxpk= 20, iat=1583,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 HIS  HN          100 VAL  HA          3.50    (#     73:20  Unique         3.08, 3.26 A)
 &rst
  ixpk= 73, nxpk= 20, iat=1570,1520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 100 VAL  HA           19 VAL  MGY         5.50    (#   2528:20  Unique         4.27, 6.34 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 100 VAL  HA           77 VAL  MGX         3.50    (#   1228:20  Unique         4.00, 5.04 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 100 VAL  HB          100 VAL  HN          2.80    (#   1111:10  Unique         2.19, 2.31 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=1522,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  MGX         100 VAL  HB          2.80    (#   2886:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
# 101 ASN  HN          100 VAL  HB          3.50    (#   2885:20  Unique         2.73, 2.84 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=1534,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 97 GLN  HA          100 VAL  HB          4.50    (#   2883:20  Unique         2.18, 2.32 A)
 &rst
  ixpk= 2883, nxpk= 20, iat=1469,1522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 100 VAL  MGY         100 VAL  HN          2.80    (#   1114:10  Unique         2.32, 3.88 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
# 101 ASN  HB-         100 VAL  HN          5.50    (#   1493:10  Unique         4.80, 5.60 A)
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1538,1539,
 &end
#
# 101 ASN  HN          100 VAL  HN          2.80    (#   1105:10  Unique         2.72, 2.80 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1534,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  HN          102 LYS  HN          5.50    (#    899:10  Unique         4.08, 4.20 A)
 &rst
  ixpk= 899, nxpk= 10, iat=1518,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 VAL  HN           46 MET  ME          5.50    (#   2434:20  Unique         5.20, 6.38 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 684, 685, 686,
 &end
#
# 97 GLN  HA          100 VAL  HN          4.50    (#   1110:10  Unique         2.98, 3.10 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=1469,1518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  HB+         100 VAL  HN          2.80    (#   1113:10  Unique         2.52, 3.03 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1503,1504,
 &end
#
# 99 LEU  HB-         100 VAL  HN          3.50    (#   1112:10  Unique         2.52, 3.03 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1503,1504,
 &end
#
# 99 LEU  HN          100 VAL  HN          2.80    (#   1107:10  Unique         2.71, 2.83 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=1499,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 100 VAL  HN           99 LEU  MDY         4.50    (#   2644:20  Unique         4.23, 5.52 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 100 VAL  MGX          99 LEU  HB-         4.50    (#   2996:20  Unique         3.21, 5.90 A)
 &rst
  ixpk= 2996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2=1503,1504,
 &end
#
# 101 ASN  HA          100 VAL  MGY         5.50    (#   1346:20  Unique         3.24, 5.49 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 100 VAL  MGY         101 ASN  HN          3.50    (#    706:10  Unique         3.23, 4.64 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
# 96 LEU  HA          100 VAL  MGY         4.50    (#   1349:20  Unique         3.89, 6.35 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 97 GLN  HA          100 VAL  MGY         3.50    (#   1347:20  Unique         3.70, 4.45 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 97 GLN  HN          100 VAL  MGY         5.50    (#   1345:20  Unique         5.34, 6.72 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
# 100 VAL  MGY          99 LEU  HN          5.50    (#    761:10  Unique         4.69, 6.49 A)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
# 101 ASN  HB+         101 ASN  HA          3.50    (#   2096:20  Unique         2.18, 2.47 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1538,1539,
 &end
#
# 101 ASN  HB-         101 ASN  HA          3.50    (#   2097:20  Unique         2.18, 2.47 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1538,1539,
 &end
#
# 101 ASN  HA          101 ASN  HN          2.80    (#    697:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 697, nxpk= 10, iat=1536,1534, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 101 ASN  HA          102 LYS  HN          4.50    (#    906:10  Unique         3.51, 3.53 A)
 &rst
  ixpk= 906, nxpk= 10, iat=1536,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 ASN  HA          103 HIS  HN          4.50    (#    960:10  Unique         3.65, 4.08 A)
 &rst
  ixpk= 960, nxpk= 10, iat=1536,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 LEU  HB+         101 ASN  HA          3.50    (#   2100:20  Unique         2.71, 3.77 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1591,1592,
 &end
#
# 104 LEU  HG          101 ASN  HA          3.50    (#   2099:20  Unique         2.12, 2.36 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=1594,1536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 101 ASN  HA          104 LEU  HN          3.50    (#    185:10  Unique         2.81, 3.14 A)
 &rst
  ixpk= 185, nxpk= 10, iat=1536,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 101 ASN  HA          104 LEU  MDX         3.50    (#   3095:20  Unique         2.35, 4.13 A)
 &rst
  ixpk= 3095, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 101 ASN  HA          104 LEU  MDY         4.50    (#   2666:20  Unique         2.35, 4.13 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 101 ASN  HA           46 MET  ME          4.50    (#   2429:20  Unique         3.19, 4.47 A)
 &rst
  ixpk= 2429, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 684, 685, 686,
 &end
#
# 101 ASN  HD2+        101 ASN  HB+         3.50    (#    791:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1543,1544,
 igr2=1538,1539,
 &end
#
# 101 ASN  HB+         101 ASN  HD2-        4.50    (#   1209:10  Unique         2.10, 3.45 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1538,1539,
 igr2=1543,1544,
 &end
#
# 101 ASN  HB+         101 ASN  HN          2.80    (#    704:10  Unique         2.17, 2.86 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1538,1539,
 &end
#
# 101 ASN  HB+         104 LEU  MDX         5.50    (#   3097:20  Unique         2.84, 5.78 A)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1538,1539,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 46 MET  ME          101 ASN  HB+         4.50    (#    799:20  Unique         2.17, 3.25 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 684, 685, 686,
 igr2=1538,1539,
 &end
#
# 98 GLU  HA          101 ASN  HB+         3.50    (#    798:20  Unique         3.18, 4.27 A)
 &rst
  ixpk= 798, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1538,1539,
 &end
#
# 101 ASN  HD2+        101 ASN  HB-         3.50    (#    790:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1543,1544,
 igr2=1538,1539,
 &end
#
# 101 ASN  HD2-        101 ASN  HB-         4.50    (#    787:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1543,1544,
 igr2=1538,1539,
 &end
#
# 101 ASN  HB-         101 ASN  HN          2.80    (#    703:10  Unique         2.17, 2.86 A)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1538,1539,
 &end
#
# 46 MET  ME          101 ASN  HB-         5.50    (#    800:20  Unique         2.17, 3.25 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 684, 685, 686,
 igr2=1538,1539,
 &end
#
# 98 GLU  HA          101 ASN  HB-         3.50    (#    797:20  Unique         3.18, 4.27 A)
 &rst
  ixpk= 797, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1538,1539,
 &end
#
# 101 ASN  HD2+        102 LYS  HN          3.50    (#    905:10  Unique         2.32, 3.10 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1543,1544,
 &end
#
# 98 GLU  HA          101 ASN  HD2+        5.50    (#   1212:10  Unique         1.96, 2.48 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1543,1544,
 &end
#
# 101 ASN  HD2-         46 MET  ME          4.50    (#   2431:20  Unique         3.61, 5.77 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1543,1544,
 igr2= 684, 685, 686,
 &end
#
# 101 ASN  HD2-         97 GLN  HE2+        5.50    (#   1172:10  Unique         3.25, 4.95 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1543,1544,
 igr2=1479,1480,
 &end
#
# 101 ASN  HD2-         97 GLN  HE2-        4.50    (#   1163:10  Unique         3.25, 4.95 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1543,1544,
 igr2=1479,1480,
 &end
#
# 101 ASN  HD2-         97 GLN  HG+         5.50    (#    846:20  Unique         5.36, 7.09 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1543,1544,
 igr2=1474,1475,
 &end
#
# 101 ASN  HD2-         97 GLN  HG-         5.50    (#    847:20  Unique         5.36, 7.09 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1543,1544,
 igr2=1474,1475,
 &end
#
# 101 ASN  HD2-         98 GLU  HA          5.50    (#    280:20  Unique         1.96, 2.48 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1543,1544,
 &end
#
# 101 ASN  HN          102 LYS  HN          2.80    (#    904:10  Unique         2.68, 2.78 A)
 &rst
  ixpk= 904, nxpk= 10, iat=1534,1548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 101 ASN  HN          104 LEU  MDX         5.50    (#   3092:20  Unique         4.15, 5.96 A)
 &rst
  ixpk= 3092, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 101 ASN  HN           46 MET  ME          4.50    (#   2435:20  Unique         3.12, 4.33 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 684, 685, 686,
 &end
#
# 101 ASN  HN           97 GLN  HA          4.50    (#    184:20  Unique         3.39, 3.51 A)
 &rst
  ixpk= 184, nxpk= 20, iat=1534,1469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 98 GLU  HA          101 ASN  HN          4.50    (#    700:10  Unique         3.39, 3.59 A)
 &rst
  ixpk= 700, nxpk= 10, iat=1486,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 ASN  HN           99 LEU  HN          5.50    (#    753:10  Unique         4.18, 4.31 A)
 &rst
  ixpk= 753, nxpk= 10, iat=1534,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 LYS  HA          102 LYS  HE+         4.50    (#   3122:20  Unique         2.15, 4.60 A)
 &rst
  ixpk= 3122, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1561,1562,
 &end
#
# 102 LYS  HA          102 LYS  HE-         4.50    (#   3121:20  Unique         2.15, 4.60 A)
 &rst
  ixpk= 3121, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1561,1562,
 &end
#
# 102 LYS  HE-         102 LYS  HB+         4.50    (#   2787:20  Unique         2.18, 4.11 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1561,1562,
 igr2=1552,1553,
 &end
#
# 102 LYS  HG-         102 LYS  HB+         3.50    (#   2784:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1555,1556,
 igr2=1552,1553,
 &end
#
# 102 LYS  HB+         102 LYS  HN          2.80    (#    909:10  Unique         2.31, 3.02 A)
 &rst
  ixpk= 909, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1552,1553,
 &end
#
# 103 HIS  HD2         102 LYS  HB+         4.50    (#   2781:20  Unique         3.63, 4.88 A)
 &rst
  ixpk= 2781, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1552,1553,
 &end
#
# 102 LYS  HB+         103 HIS  HN          5.50    (#   1488:10  Unique         2.69, 3.34 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1552,1553,
 &end
#
# 102 LYS  HE-         102 LYS  HB-         4.50    (#   2788:20  Unique         2.18, 4.11 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1561,1562,
 igr2=1552,1553,
 &end
#
# 102 LYS  HG-         102 LYS  HB-         4.50    (#   2785:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1555,1556,
 igr2=1552,1553,
 &end
#
# 102 LYS  HN          102 LYS  HB-         3.50    (#   2790:20  Unique         2.31, 3.02 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1552,1553,
 &end
#
# 103 HIS  HD2         102 LYS  HB-         4.50    (#   2791:20  Unique         3.63, 4.88 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1552,1553,
 &end
#
# 102 LYS  HB-         103 HIS  HN          3.50    (#    959:10  Unique         2.69, 3.34 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1552,1553,
 &end
#
# 102 LYS  HN          103 HIS  HN          2.80    (#    954:10  Unique         2.64, 2.71 A)
 &rst
  ixpk= 954, nxpk= 10, iat=1548,1570, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  HN          102 LYS  HN          4.50    (#    900:10  Unique         4.18, 4.25 A)
 &rst
  ixpk= 900, nxpk= 10, iat=1587,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 98 GLU  HG+         102 LYS  HN          5.50    (#    877:10  Unique         4.43, 5.24 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1491,1492,
 &end
#
# 103 HIS  HA          103 HIS  HB+         3.50    (#   1988:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1988, nxpk= 20, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1574,1575,
 &end
#
# 103 HIS  HA          103 HIS  HB-         3.50    (#    767:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 767, nxpk= 20, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1574,1575,
 &end
#
# 103 HIS  HA          103 HIS  HN          3.50    (#    956:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 956, nxpk= 10, iat=1572,1570, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 HIS  HA          104 LEU  HN          3.50    (#    184:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 184, nxpk= 10, iat=1572,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 HIS  HA           19 VAL  MGX         5.50    (#   1257:20  Unique         4.98, 6.38 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 103 HIS  HD2         103 HIS  HB+         4.50    (#   1990:20  Unique         2.54, 3.07 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1574,1575,
 &end
#
# 103 HIS  HB+         103 HIS  HN          2.80    (#    958:10  Unique         2.33, 3.04 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1574,1575,
 &end
#
# 103 HIS  HB+         104 LEU  HN          4.50    (#    189:10  Unique         2.92, 3.51 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1574,1575,
 &end
#
# 19 VAL  MGX         103 HIS  HB+         4.50    (#   1984:20  Unique         3.13, 5.06 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1574,1575,
 &end
#
# 103 HIS  HB+          19 VAL  MGY         4.50    (#   2530:20  Unique         3.13, 5.06 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1574,1575,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 77 VAL  MGX         103 HIS  HB+         4.50    (#   1982:20  Unique         2.48, 4.57 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1165,1166,1167,1169,1170,1171,
 igr2=1574,1575,
 &end
#
# 103 HIS  HB+          79 LYS  HD+         4.50    (#   1515:20  Unique         2.39, 4.11 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1574,1575,
 igr2=1204,1205,
 &end
#
# 103 HIS  HB+          84 VAL  MGX         5.50    (#    954:20  Unique         2.95, 6.09 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1574,1575,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 103 HIS  HD2         103 HIS  HB-         4.50    (#    765:20  Unique         2.54, 3.07 A)
 &rst
  ixpk= 765, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1574,1575,
 &end
#
# 103 HIS  HB-         103 HIS  HN          3.50    (#    957:10  Unique         2.33, 3.04 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1574,1575,
 &end
#
# 103 HIS  HB-         104 LEU  HN          5.50    (#    188:10  Unique         2.92, 3.51 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
# 103 HIS  HB-          19 VAL  MGX         4.50    (#   1267:20  Unique         3.13, 5.06 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1574,1575,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 103 HIS  HB-          19 VAL  MGY         4.50    (#   2529:20  Unique         3.13, 5.06 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1574,1575,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 103 HIS  HB-          77 VAL  MGX         4.50    (#   1229:20  Unique         2.48, 4.57 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1574,1575,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 79 LYS  HB+         103 HIS  HB-         5.50    (#    770:20  Unique         4.69, 6.88 A)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1198,1199,
 igr2=1574,1575,
 &end
#
# 103 HIS  HB-          79 LYS  HD+         3.50    (#   1517:20  Unique         2.39, 4.11 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1574,1575,
 igr2=1204,1205,
 &end
#
# 103 HIS  HB-          84 VAL  MGX         4.50    (#    953:20  Unique         2.95, 6.09 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1574,1575,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 103 HIS  HD2         103 HIS  HN          3.50    (#    953:10  Unique         3.49, 3.55 A)
 &rst
  ixpk= 953, nxpk= 10, iat=1583,1570, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 103 HIS  HD2         104 LEU  HN          5.50    (#   1359:10  Unique         5.18, 5.31 A)
 &rst
  ixpk= 1359, nxpk= 10, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 HIS  HD2          77 VAL  MGX         4.50    (#   1223:20  Unique         2.42, 3.86 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 103 HIS  HD2          77 VAL  MGY         4.50    (#   2506:20  Unique         2.42, 3.86 A)
 &rst
  ixpk= 2506, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 103 HIS  HD2          84 VAL  MGX         4.50    (#    959:20  Unique         4.56, 6.98 A)
 &rst
  ixpk= 959, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 103 HIS  HD2          85 GLU  HG+         4.50    (#   1743:20  Unique         3.71, 5.04 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1289,1290,
 &end
#
# 103 HIS  HD2          85 GLU  HG-         4.50    (#   1737:20  Unique         3.71, 5.04 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1289,1290,
 &end
#
# 103 HIS  HD2          99 LEU  HA          5.50    (#    208:20  Unique         3.62, 4.03 A)
 &rst
  ixpk= 208, nxpk= 20, iat=1583,1501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 LEU  HN          103 HIS  HN          2.80    (#    955:10  Unique         2.27, 2.54 A)
 &rst
  ixpk= 955, nxpk= 10, iat=1587,1570, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 103 HIS  HN           19 VAL  MGX         5.50    (#   1259:20  Unique         5.34, 6.93 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 103 HIS  HN           77 VAL  MGX         5.50    (#   1222:20  Unique         4.72, 6.54 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 104 LEU  HA          104 LEU  HB+         3.50    (#   3003:20  Unique         2.23, 2.69 A)
 &rst
  ixpk= 3003, nxpk= 20, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1591,1592,
 &end
#
# 104 LEU  HA          104 LEU  HG          4.50    (#   3078:20  Unique         3.18, 3.34 A)
 &rst
  ixpk= 3078, nxpk= 20, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 LEU  HA          104 LEU  HN          2.80    (#    186:10  Unique         2.76, 2.80 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1589,1587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  HA          104 LEU  MDX         4.50    (#   3094:20  Unique         2.29, 3.94 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 104 LEU  HA          104 LEU  MDY         3.50    (#   2667:20  Unique         2.29, 3.94 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 19 VAL  MGX         104 LEU  HA          3.50    (#   2102:20  Unique         2.07, 3.68 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 104 LEU  HA           19 VAL  MGY         4.50    (#   2527:20  Unique         2.07, 3.68 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 104 LEU  HB+         104 LEU  HN          2.80    (#    191:10  Unique         2.31, 3.20 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1591,1592,
 &end
#
# 104 LEU  HB+         104 LEU  MDY         2.80    (#   2671:20  Unique         2.28, 3.28 A)
 &rst
  ixpk= 2671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1591,1592,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 104 LEU  HB+          19 VAL  MGX         4.50    (#   1272:20  Unique         2.45, 5.82 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1591,1592,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 104 LEU  HG          104 LEU  HN          2.80    (#    190:10  Unique         2.14, 2.36 A)
 &rst
  ixpk= 190, nxpk= 10, iat=1594,1587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 104 LEU  HN          104 LEU  MDX         4.50    (#   3091:20  Unique         3.12, 4.33 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 104 LEU  HN          104 LEU  MDY         4.50    (#   2664:20  Unique         3.12, 4.33 A)
 &rst
  ixpk= 2664, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 19 VAL  MGX         104 LEU  HN          5.50    (#   1361:10  Unique         3.47, 5.36 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 49 LYS  HB-         104 LEU  MDX         3.50    (#   3099:20  Unique         2.23, 3.41 A)
 &rst
  ixpk= 3099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 713, 714,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 49 LYS  HE+         104 LEU  MDX         5.50    (#   3096:20  Unique         2.13, 4.77 A)
 &rst
  ixpk= 3096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 722, 723,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 50 LEU  HN          104 LEU  MDX         5.50    (#   3093:20  Unique         3.39, 5.20 A)
 &rst
  ixpk= 3093, nxpk= 20, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 19 VAL  HN          104 LEU  MDY         5.50    (#   2665:20  Unique         4.97, 7.36 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 49 LYS  HE+         104 LEU  MDY         5.50    (#   2668:20  Unique         2.13, 4.77 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 722, 723,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
# 11 PHE  HA           11 PHE  HB+         3.50    (#    691:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 691, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 156, 157,
 &end
#
# 11 PHE  HB-          11 PHE  HA          3.50    (#    105:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 156, 157,
 &end
#
# 11 PHE  HD           11 PHE  HA          3.50    (#    103:20  Unique         2.92, 3.65 A)
 &rst
  ixpk= 103, 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    (#    276:10  Unique         2.76, 2.80 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 11 PHE  HA           12 SER  HN          5.50    (#    930:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 930, nxpk= 10, iat= 154, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HA           13 ALA  HN          5.50    (#   1272:10  Unique         4.25, 4.41 A)
 &rst
  ixpk= 1272, nxpk= 10, iat= 154, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLU  HA           11 PHE  HA          5.50    (#    104:20  Unique         5.10, 5.24 A)
 &rst
  ixpk= 104, nxpk= 20, iat= 195, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HA           14 GLU  HB-         4.50    (#   1496:20  Unique         2.19, 3.11 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 197, 198,
 &end
#
# 11 PHE  HA           14 GLU  HG+         5.50    (#    876:20  Unique         3.57, 3.90 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 200, 201,
 &end
#
# 14 GLU  HG-          11 PHE  HA          5.50    (#    108:20  Unique         3.57, 3.90 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 200, 201,
 &end
#
# 11 PHE  HA           14 GLU  HN          4.50    (#   1007:10  Unique         3.25, 3.33 A)
 &rst
  ixpk= 1007, nxpk= 10, iat= 154, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 PHE  HA           15 THR  HN          5.50    (#   1337:10  Unique         3.66, 3.75 A)
 &rst
  ixpk= 1337, nxpk= 10, iat= 154, 208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HA           15 THR  MG2         4.50    (#    975:20  Unique         3.43, 4.72 A)
 &rst
  ixpk= 975, nxpk= 20, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
# 53 VAL  MGY          11 PHE  HA          4.50    (#    116:20  Unique         3.77, 5.47 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 55 ILE  QD1          11 PHE  HA          5.50    (#    115:20  Unique         4.77, 5.84 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 843, 844,
 &end
#
# 11 PHE  HA            6 ALA  MB          3.50    (#   2444:20  Unique         1.99, 2.77 A)
 &rst
  ixpk= 2444, 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    (#   1519:10  Unique         3.18, 3.62 A)
 &rst
  ixpk= 1519, 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    (#    689:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 689, 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    (#    277:10  Unique         2.22, 2.43 A)
 &rst
  ixpk= 277, 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    (#    628:20  Unique         4.06, 4.96 A)
 &rst
  ixpk= 628, 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    (#    939:10  Unique         2.81, 3.46 A)
 &rst
  ixpk= 939, 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    (#    905:20  Unique         2.66, 4.23 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 842, 843, 844,
 &end
#
# 11 PHE  HB+           6 ALA  MB          4.50    (#   2446:20  Unique         2.67, 4.28 A)
 &rst
  ixpk= 2446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2=  92,  93,  94,
 &end
#
# 11 PHE  HB+          63 THR  MG2         4.50    (#   2552:20  Unique         2.09, 3.45 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 955, 956, 957,
 &end
#
# 11 PHE  HB+           8 ASP  HA          4.50    (#   2133:20  Unique         3.21, 3.78 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 157,
 &end
#
# 11 PHE  HD           11 PHE  HB-         3.50    (#    690:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 690, 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    (#    278:10  Unique         2.22, 2.43 A)
 &rst
  ixpk= 278, 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          4.50    (#    629:20  Unique         4.06, 4.96 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB-          12 SER  HN          2.80    (#    940:10  Unique         2.81, 3.46 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 156, 157,
 &end
#
# 11 PHE  HB-          55 ILE  QD1         4.50    (#    904:20  Unique         2.66, 4.23 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 842, 843, 844,
 &end
#
# 11 PHE  HB-           6 ALA  MB          4.50    (#   2445:20  Unique         2.67, 4.28 A)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2=  92,  93,  94,
 &end
#
# 11 PHE  HB-          63 THR  MG2         4.50    (#   2553:20  Unique         2.09, 3.45 A)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157,
 igr2= 955, 956, 957,
 &end
#
# 11 PHE  HB-           8 ASP  HA          4.50    (#   2132:20  Unique         3.21, 3.78 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 157,
 &end
#
# 11 PHE  HD           11 PHE  HN          4.50    (#    273:10  Unique         4.15, 4.67 A)
 &rst
  ixpk= 273, 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    (#    624:20  Unique         2.83, 4.92 A)
 &rst
  ixpk= 624, 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          4.50    (#    936:10  Unique         3.37, 4.83 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 160, 168,
 &end
#
# 11 PHE  HD           15 THR  MG2         4.50    (#    983:20  Unique         3.54, 4.57 A)
 &rst
  ixpk= 983, 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           22 ALA  MB          4.50    (#   1328:20  Unique         4.54, 5.95 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 160, 168,
 igr2= 310, 311, 312,
 &end
#
# 11 PHE  HD           55 ILE  HB          4.50    (#   1033:20  Unique         2.50, 5.11 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 160, 168,
 &end
#
# 11 PHE  HD           55 ILE  QD1         3.50    (#    910:20  Unique         2.24, 4.48 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 160, 168,
 igr2= 842, 843, 844,
 &end
#
# 11 PHE  HD           55 ILE  QG2         4.50    (#    926:20  Unique         3.31, 5.98 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 160, 168,
 igr2= 835, 836, 837,
 &end
#
# 11 PHE  HD            6 ALA  MB          3.50    (#   2441:20  Unique         2.19, 4.56 A)
 &rst
  ixpk= 2441, 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    (#   2547:20  Unique         2.77, 4.04 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 160, 168,
 igr2= 955, 956, 957,
 &end
#
# 12 SER  HA           11 PHE  HN          5.50    (#   1279:10  Unique         5.33, 5.38 A)
 &rst
  ixpk= 1279, nxpk= 10, iat= 174, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 PHE  HN           12 SER  HN          3.50    (#    935:10  Unique         2.80, 2.87 A)
 &rst
  ixpk= 935, nxpk= 10, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 ILE  QD1          11 PHE  HN          5.50    (#   1283:10  Unique         4.78, 5.75 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 843, 844,
 &end
#
# 6 ALA  MB           11 PHE  HN          4.50    (#    279:10  Unique         3.11, 4.47 A)
 &rst
  ixpk= 279, 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    (#   1284:10  Unique         3.75, 5.14 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 955, 956, 957,
 &end
#
# 11 PHE  HN            7 THR  HN          4.50    (#   1221:10  Unique         2.72, 2.89 A)
 &rst
  ixpk= 1221, nxpk= 10, iat= 152,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8 ASP  HA           11 PHE  HN          4.50    (#    275:10  Unique         3.47, 3.80 A)
 &rst
  ixpk= 275, nxpk= 10, iat= 114, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 PHE  HN            9 GLN  HN          5.50    (#   1544:10  Unique         3.94, 4.05 A)
 &rst
  ixpk= 1544, 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    (#    938:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 938, 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    (#    258:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 174, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 13 ALA  MB           12 SER  HA          5.50    (#    630:20  Unique         5.84, 6.13 A)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 187, 188, 189,
 &end
#
# 12 SER  HA           14 GLU  HN          4.50    (#   1006:10  Unique         4.18, 4.49 A)
 &rst
  ixpk= 1006, 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    (#     50:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 174, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 15 THR  MG2          12 SER  HA          4.50    (#    631:20  Unique         4.66, 5.47 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 214, 215, 216,
 &end
#
# 16 SER  HN           12 SER  HA          5.50    (#    622:20  Unique         4.40, 4.63 A)
 &rst
  ixpk= 622, nxpk= 20, iat= 222, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 SER  HN           13 ALA  HN          2.80    (#    254:10  Unique         2.66, 2.70 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 172, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 13 ALA  MB           12 SER  HN          5.50    (#    941:10  Unique         4.78, 5.45 A)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 187, 188, 189,
 &end
#
# 12 SER  HN           14 GLU  HN          5.50    (#   1542:10  Unique         3.92, 4.10 A)
 &rst
  ixpk= 1542, 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    (#    257:10  Unique         2.83, 2.87 A)
 &rst
  ixpk= 257, 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    (#   2392:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 2392, 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          4.50    (#   1005:10  Unique         3.56, 3.60 A)
 &rst
  ixpk= 1005, nxpk= 10, iat= 185, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 THR  HN           13 ALA  HA          5.50    (#    303:20  Unique         4.58, 4.66 A)
 &rst
  ixpk= 303, nxpk= 20, iat= 208, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 SER  HN           13 ALA  HA          4.50    (#    302:20  Unique         3.57, 3.75 A)
 &rst
  ixpk= 302, nxpk= 20, iat= 222, 185, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13 ALA  MB           13 ALA  HN          2.80    (#    259:10  Unique         2.48, 2.90 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 187, 188, 189,
 &end
#
# 14 GLU  HB+          13 ALA  HN          5.50    (#   1276:10  Unique         4.41, 5.31 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 197, 198,
 &end
#
# 14 GLU  HG+          13 ALA  HN          5.50    (#   1274:10  Unique         4.43, 5.31 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 200, 201,
 &end
#
# 15 THR  HN           13 ALA  HN          5.50    (#   1273:10  Unique         4.18, 4.24 A)
 &rst
  ixpk= 1273, nxpk= 10, iat= 208, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLU  HG+          13 ALA  MB          4.50    (#   2396:20  Unique         3.27, 5.23 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 200, 201,
 igr2= 187, 188, 189,
 &end
#
# 13 ALA  MB           14 GLU  HN          2.80    (#   1013:10  Unique         2.53, 3.39 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 187, 188, 189,
 &end
#
# 13 ALA  MB           16 SER  HN          5.50    (#   1444:10  Unique         5.18, 5.60 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 187, 188, 189,
 &end
#
# 14 GLU  HA           14 GLU  HB+         3.50    (#   1501:20  Unique         2.61, 2.84 A)
 &rst
  ixpk= 1501, nxpk= 20, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 197, 198,
 &end
#
# 14 GLU  HA           14 GLU  HB-         3.50    (#   1497:20  Unique         2.61, 2.84 A)
 &rst
  ixpk= 1497, nxpk= 20, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 197, 198,
 &end
#
# 14 GLU  HA           14 GLU  HG-         4.50    (#   1763:20  Unique         2.65, 3.21 A)
 &rst
  ixpk= 1763, 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    (#   1004:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1004, nxpk= 10, iat= 195, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  HN           14 GLU  HA          4.50    (#   2277:20  Unique         3.59, 3.61 A)
 &rst
  ixpk= 2277, nxpk= 20, iat= 208, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 THR  MG2          14 GLU  HA          5.50    (#   2274:20  Unique         5.16, 6.02 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 214, 215, 216,
 &end
#
# 16 SER  HN           14 GLU  HA          4.50    (#   2276:20  Unique         3.76, 3.85 A)
 &rst
  ixpk= 2276, nxpk= 20, iat= 222, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 53 VAL  MGY          14 GLU  HA          5.50    (#   2273:20  Unique         4.92, 6.66 A)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 14 GLU  HG+          14 GLU  HB+         3.50    (#   1502:20  Unique         2.38, 2.61 A)
 &rst
  ixpk= 1502, 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  HG-          14 GLU  HB+         2.80    (#   1503:20  Unique         2.38, 2.61 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 200, 201,
 igr2= 197, 198,
 &end
#
# 14 GLU  HB+          14 GLU  HN          2.80    (#   1012:10  Unique         2.23, 2.92 A)
 &rst
  ixpk= 1012, 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    (#     46:10  Unique         2.68, 3.16 A)
 &rst
  ixpk= 46, 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+         4.50    (#   1505:20  Unique         3.05, 4.45 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 214, 215, 216,
 igr2= 197, 198,
 &end
#
# 14 GLU  HG+          14 GLU  HB-         3.50    (#   1508:20  Unique         2.38, 2.61 A)
 &rst
  ixpk= 1508, 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  HN          2.80    (#   1011:10  Unique         2.23, 2.92 A)
 &rst
  ixpk= 1011, 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    (#     51:10  Unique         2.68, 3.16 A)
 &rst
  ixpk= 51, 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         3.50    (#    989:20  Unique         3.05, 4.45 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 197, 198,
 igr2= 214, 215, 216,
 &end
#
# 53 VAL  MGY          14 GLU  HB-         4.50    (#   1507:20  Unique         2.42, 4.55 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 197, 198,
 &end
#
# 14 GLU  HG+          14 GLU  HN          2.80    (#   1009:10  Unique         2.37, 3.13 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 200, 201,
 &end
#
# 14 GLU  HG+          15 THR  HN          5.50    (#   1338:10  Unique         4.58, 4.91 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 200, 201,
 &end
#
# 14 GLU  HG+          16 SER  HN          5.50    (#    932:10  Unique         5.88, 6.37 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 200, 201,
 &end
#
# 14 GLU  HG+           4 VAL  MGX         4.50    (#   2574:20  Unique         3.19, 6.25 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 200, 201,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 53 VAL  MGY          14 GLU  HG+         4.50    (#    878:20  Unique         3.85, 5.86 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 200, 201,
 &end
#
# 14 GLU  HG+           6 ALA  MB          4.50    (#   2447:20  Unique         2.32, 3.85 A)
 &rst
  ixpk= 2447, 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    (#   1010:10  Unique         2.37, 3.13 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 200, 201,
 &end
#
# 14 GLU  HG-          15 THR  MG2         5.50    (#    988:20  Unique         5.13, 6.65 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201,
 igr2= 214, 215, 216,
 &end
#
# 51 LYS  HE-          14 GLU  HG-         5.50    (#   1765:20  Unique         5.52, 6.76 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 763, 764,
 igr2= 200, 201,
 &end
#
# 53 VAL  MGY          14 GLU  HG-         4.50    (#   1767:20  Unique         3.85, 5.86 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 200, 201,
 &end
#
# 14 GLU  HG-           6 ALA  MB          3.50    (#   2448:20  Unique         2.32, 3.85 A)
 &rst
  ixpk= 2448, 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    (#   1002:10  Unique         2.58, 2.81 A)
 &rst
  ixpk= 1002, 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    (#   1014:10  Unique         4.35, 5.75 A)
 &rst
  ixpk= 1014, 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    (#   1003:10  Unique         3.95, 4.03 A)
 &rst
  ixpk= 1003, nxpk= 10, iat= 222, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 VAL  MGY          14 GLU  HN          5.50    (#   1439:10  Unique         5.59, 7.10 A)
 &rst
  ixpk= 1439, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 6 ALA  MB           14 GLU  HN          5.50    (#   1440:10  Unique         4.47, 5.15 A)
 &rst
  ixpk= 1440, 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    (#   2172:20  Unique         2.45, 2.47 A)
 &rst
  ixpk= 2172, 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    (#     49:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 49, nxpk= 10, iat= 210, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  MG2          15 THR  HA          3.50    (#   2167:20  Unique         2.24, 2.96 A)
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 214, 215, 216,
 &end
#
# 15 THR  HA           16 SER  HN          3.50    (#    966:10  Unique         3.25, 3.30 A)
 &rst
  ixpk= 966, nxpk= 10, iat= 210, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 GLU  HN           15 THR  HA          4.50    (#   2175:20  Unique         3.04, 3.14 A)
 &rst
  ixpk= 2175, nxpk= 20, iat= 233, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 THR  HA           20 VAL  HB          5.50    (#   1684:20  Unique         2.70, 2.95 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 210, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 THR  HA           20 VAL  MGX         3.50    (#   2554:20  Unique         2.06, 3.51 A)
 &rst
  ixpk= 2554, nxpk= 20, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGY          15 THR  HA          2.80    (#   2170:20  Unique         2.06, 3.51 A)
 &rst
  ixpk= 2170, 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  HN           15 THR  HB          4.50    (#     32:20  Unique         3.60, 3.62 A)
 &rst
  ixpk= 32, nxpk= 20, iat= 208, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 THR  HB           15 THR  MG2         2.80    (#    977:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 977, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 214, 215, 216,
 &end
#
# 16 SER  HN           15 THR  HB          5.50    (#     33:20  Unique         4.27, 4.34 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 222, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 THR  HB           20 VAL  HB          5.50    (#   1683:20  Unique         3.27, 3.41 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 212, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 THR  HB           20 VAL  MGX         4.50    (#   2555:20  Unique         4.12, 4.99 A)
 &rst
  ixpk= 2555, 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         3.50    (#   1248:20  Unique         4.12, 4.99 A)
 &rst
  ixpk= 1248, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 22 ALA  MB           15 THR  HB          5.50    (#     26:20  Unique         5.06, 6.24 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 310, 311, 312,
 &end
#
# 53 VAL  MGY          15 THR  HB          5.50    (#     23:20  Unique         5.58, 6.96 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 78 LEU  HB+          15 THR  HB          5.50    (#     27:20  Unique         2.42, 2.91 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1179,1180,
 &end
#
# 78 LEU  HB-          15 THR  HB          5.50    (#     28:20  Unique         2.42, 2.91 A)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1179,1180,
 &end
#
# 15 THR  HB           78 LEU  MDX         3.50    (#   2609:20  Unique         2.24, 3.90 A)
 &rst
  ixpk= 2609, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 15 THR  HB           78 LEU  MDY         3.50    (#   2608:20  Unique         2.24, 3.90 A)
 &rst
  ixpk= 2608, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 15 THR  MG2          15 THR  HN          2.80    (#     68:10  Unique         2.51, 3.41 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 214, 215, 216,
 &end
#
# 15 THR  HN           16 SER  HA          5.50    (#    633:20  Unique         5.02, 5.10 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 THR  HN           16 SER  HB+         5.50    (#    606:20  Unique         4.74, 5.47 A)
 &rst
  ixpk= 606, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 226, 227,
 &end
#
# 15 THR  HN           16 SER  HB-         5.50    (#    607:20  Unique         4.74, 5.47 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 226, 227,
 &end
#
# 15 THR  HN           16 SER  HN          2.80    (#    964:10  Unique         2.51, 2.62 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 208, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 THR  HN           17 GLU  HN          5.50    (#   1429:10  Unique         4.51, 4.66 A)
 &rst
  ixpk= 1429, nxpk= 10, iat= 208, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 THR  HN           20 VAL  MGY         5.50    (#   1241:20  Unique         4.51, 5.81 A)
 &rst
  ixpk= 1241, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 53 VAL  MGY          15 THR  HN          5.50    (#   1441:10  Unique         4.48, 6.28 A)
 &rst
  ixpk= 1441, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 16 SER  HN           15 THR  MG2         4.50    (#    984:20  Unique         4.85, 5.31 A)
 &rst
  ixpk= 984, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
# 15 THR  MG2          20 VAL  HB          5.50    (#   1689:20  Unique         2.30, 3.44 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 214, 215, 216,
 &end
#
# 15 THR  MG2          20 VAL  MGX         2.80    (#   2557:20  Unique         2.23, 4.51 A)
 &rst
  ixpk= 2557, 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          20 VAL  MGY         3.50    (#   1253:20  Unique         2.23, 4.51 A)
 &rst
  ixpk= 1253, 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
#
# 22 ALA  MB           15 THR  MG2         3.50    (#    992:20  Unique         3.14, 4.76 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 310, 311, 312,
 igr2= 214, 215, 216,
 &end
#
# 53 VAL  MGY          15 THR  MG2         2.80    (#    994:20  Unique         3.09, 4.82 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 214, 215, 216,
 &end
#
# 15 THR  MG2          78 LEU  MDX         3.50    (#   2601:20  Unique         2.22, 4.48 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 214, 215, 216,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 15 THR  MG2          78 LEU  MDY         3.50    (#   2602:20  Unique         2.22, 4.48 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 214, 215, 216,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 16 SER  HN           16 SER  HA          3.50    (#    632:20  Unique         2.90, 2.91 A)
 &rst
  ixpk= 632, 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    (#    634:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 233, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 VAL  MGX          16 SER  HA          4.50    (#    637:20  Unique         5.37, 7.26 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 81 GLY  HA+          16 SER  HA          3.50    (#    636:20  Unique         2.18, 2.75 A)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1230,1231,
 &end
#
# 16 SER  HA           81 GLY  HN          4.50    (#     56:10  Unique         2.75, 3.25 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 224,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 SER  HB+          16 SER  HN          2.80    (#    969:10  Unique         2.49, 3.11 A)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 226, 227,
 &end
#
# 17 GLU  HB+          16 SER  HB+         5.50    (#    614:20  Unique         4.99, 6.09 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 237, 238,
 igr2= 226, 227,
 &end
#
# 17 GLU  HG+          16 SER  HB+         4.50    (#    613:20  Unique         3.45, 4.99 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 240, 241,
 igr2= 226, 227,
 &end
#
# 17 GLU  HN           16 SER  HB+         4.50    (#    605:20  Unique         4.11, 4.37 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 226, 227,
 &end
#
# 81 GLY  HA+          16 SER  HB+         5.50    (#    608:20  Unique         2.70, 4.27 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1230,1231,
 igr2= 226, 227,
 &end
#
# 17 GLU  HA           16 SER  HN          5.50    (#   1521:10  Unique         5.02, 5.14 A)
 &rst
  ixpk= 1521, nxpk= 10, iat= 235, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 GLU  HN           16 SER  HN          2.80    (#    963:10  Unique         2.80, 2.85 A)
 &rst
  ixpk= 963, nxpk= 10, iat= 233, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20 VAL  MGY          16 SER  HN          5.50    (#   1445:10  Unique         4.67, 6.34 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 17 GLU  HA           17 GLU  HB+         3.50    (#   1638:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 1638, 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  HB-         3.50    (#   1637:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 1637, 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    (#    829:20  Unique         2.58, 3.31 A)
 &rst
  ixpk= 829, 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    (#    783:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 783, 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    (#    656:20  Unique         4.17, 4.26 A)
 &rst
  ixpk= 656, 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-         4.50    (#    655:20  Unique         4.17, 4.26 A)
 &rst
  ixpk= 655, 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  HN          3.50    (#   1195:10  Unique         1.98, 2.09 A)
 &rst
  ixpk= 1195, nxpk= 10, iat= 235, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 GLU  HA           20 VAL  MGY         5.50    (#   1245:20  Unique         5.29, 7.16 A)
 &rst
  ixpk= 1245, nxpk= 20, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 17 GLU  HA           80 ASP  HN          5.50    (#     18:10  Unique         4.32, 4.60 A)
 &rst
  ixpk= 18, nxpk= 10, iat= 235,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 GLU  HB+          17 GLU  HN          3.50    (#    781:10  Unique         2.68, 3.56 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 237, 238,
 &end
#
# 17 GLU  HB+          18 GLY  HN          4.50    (#   1201:10  Unique         3.43, 4.06 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 237, 238,
 &end
#
# 17 GLU  HB-          17 GLU  HN          3.50    (#    780:10  Unique         2.68, 3.56 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 237, 238,
 &end
#
# 17 GLU  HB-          18 GLY  HN          4.50    (#   1200:10  Unique         3.43, 4.06 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 237, 238,
 &end
#
# 17 GLU  HG+          17 GLU  HN          3.50    (#    779:10  Unique         2.85, 3.41 A)
 &rst
  ixpk= 779, 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    (#   1199:10  Unique         4.69, 5.09 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 240, 241,
 &end
#
# 18 GLY  HN           17 GLU  HN          5.50    (#    773:10  Unique         3.71, 3.82 A)
 &rst
  ixpk= 773, nxpk= 10, iat= 248, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 VAL  MGY          17 GLU  HN          4.50    (#    782:10  Unique         3.21, 5.09 A)
 &rst
  ixpk= 782, 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    (#   1198:10  Unique         2.23, 2.55 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 19 VAL  HB           18 GLY  HA+         5.50    (#    660:20  Unique         4.66, 5.01 A)
 &rst
  ixpk= 660, 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    (#    303:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 18 GLY  HA+          19 VAL  MGX         4.50    (#   1266:20  Unique         3.74, 5.93 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 250, 251,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 80 ASP  HN           18 GLY  HA+         3.50    (#    658:20  Unique         6.94, 7.66 A)
 &rst
  ixpk= 658, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 250, 251,
 &end
#
# 18 GLY  HA-          18 GLY  HN          2.80    (#   1197:10  Unique         2.23, 2.55 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 19 VAL  HB           18 GLY  HA-         4.50    (#    659:20  Unique         4.66, 5.01 A)
 &rst
  ixpk= 659, nxpk= 20, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 250, 251,
 &end
#
# 18 GLY  HA-          19 VAL  HN          2.80    (#    302:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 250, 251,
 &end
#
# 18 GLY  HA-          19 VAL  MGX         4.50    (#   1265:20  Unique         3.74, 5.93 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 250, 251,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 18 GLY  HA-          51 LYS  HE-         4.50    (#   1927:20  Unique         4.38, 6.29 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 250, 251,
 igr2= 763, 764,
 &end
#
# 80 ASP  HN           18 GLY  HA-         3.50    (#    657:20  Unique         6.94, 7.66 A)
 &rst
  ixpk= 657, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 250, 251,
 &end
#
# 18 GLY  HN           19 VAL  HN          4.50    (#    300:10  Unique         4.54, 4.58 A)
 &rst
  ixpk= 300, nxpk= 10, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18 GLY  HN           19 VAL  MGX         5.50    (#   1261:20  Unique         5.81, 7.66 A)
 &rst
  ixpk= 1261, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 79 LYS  HA           18 GLY  HN          5.50    (#   1522:10  Unique         5.03, 5.18 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=1196, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASP  HA           18 GLY  HN          2.80    (#   1196:10  Unique         2.69, 2.82 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1218, 248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 18 GLY  HN           80 ASP  HN          3.50    (#     20:10  Unique         3.19, 3.36 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 248,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 VAL  HA           19 VAL  HB          4.50    (#   2814:20  Unique         2.32, 2.94 A)
 &rst
  ixpk= 2814, nxpk= 20, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 VAL  HA           19 VAL  HN          3.50    (#    301:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 257, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19 VAL  HA           19 VAL  MGX         3.50    (#   1256:20  Unique         2.47, 3.27 A)
 &rst
  ixpk= 1256, nxpk= 20, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HA           19 VAL  MGY         3.50    (#   2525:20  Unique         2.47, 3.27 A)
 &rst
  ixpk= 2525, nxpk= 20, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 20 VAL  HN           19 VAL  HA          2.80    (#    439:20  Unique         2.13, 2.18 A)
 &rst
  ixpk= 439, nxpk= 20, iat= 271, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 19 VAL  HA           20 VAL  MGY         3.50    (#   1244:20  Unique         3.57, 5.62 A)
 &rst
  ixpk= 1244, 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
#
# 79 LYS  HD+          19 VAL  HA          4.50    (#    442:20  Unique         2.85, 3.91 A)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1204,1205,
 &end
#
# 80 ASP  HN           19 VAL  HA          5.50    (#    440:20  Unique         3.33, 3.71 A)
 &rst
  ixpk= 440, nxpk= 20, iat=1216, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 VAL  HB           19 VAL  HN          2.80    (#    304:10  Unique         2.45, 2.58 A)
 &rst
  ixpk= 304, nxpk= 10, iat= 259, 255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 19 VAL  MGX          19 VAL  HB          2.80    (#   2819:20  Unique         2.19, 2.64 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HB           19 VAL  MGY         2.80    (#   2531:20  Unique         2.19, 2.64 A)
 &rst
  ixpk= 2531, 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    (#   1255:10  Unique         3.90, 4.15 A)
 &rst
  ixpk= 1255, nxpk= 10, iat= 259, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 VAL  HB           50 LEU  HB+         3.50    (#   2914:20  Unique         2.14, 3.10 A)
 &rst
  ixpk= 2914, nxpk= 20, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 735, 736,
 &end
#
# 19 VAL  HB           50 LEU  HB-         4.50    (#   2774:20  Unique         2.14, 3.10 A)
 &rst
  ixpk= 2774, nxpk= 20, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 735, 736,
 &end
#
# 19 VAL  MGX          19 VAL  HN          2.80    (#    305:10  Unique         2.00, 3.81 A)
 &rst
  ixpk= 305, 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  MGY          19 VAL  HN          3.50    (#    306:10  Unique         2.00, 3.81 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  HN           20 VAL  HN          5.50    (#   1257:10  Unique         4.50, 4.55 A)
 &rst
  ixpk= 1257, nxpk= 10, iat= 255, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 VAL  HN           20 VAL  MGY         4.50    (#   1237:20  Unique         4.53, 6.39 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 50 LEU  HB-          19 VAL  HN          4.50    (#    316:10  Unique         3.82, 4.94 A)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 735, 736,
 &end
#
# 19 VAL  MGX          20 VAL  HN          4.50    (#     65:10  Unique         2.66, 4.36 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 271, 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  HA          4.50    (#    483:20  Unique         3.73, 5.10 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,1196, 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  HB+         4.50    (#   1061:20  Unique         2.43, 5.54 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1198,1199,
 &end
#
# 19 VAL  MGX          79 LYS  HD+         3.50    (#   1511:20  Unique         2.22, 4.35 A)
 &rst
  ixpk= 1511, 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=1204,1205,
 &end
#
# 19 VAL  MGX          79 LYS  HE+         4.50    (#   1944:20  Unique         2.05, 5.30 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 261, 262, 263, 265, 266, 267,
 igr2=1207,1208,
 &end
#
# 80 ASP  HN           19 VAL  MGX         4.50    (#   1263:20  Unique         4.60, 6.37 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 84 VAL  MGX          19 VAL  MGX         4.50    (#   1273:20  Unique         4.67, 7.84 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 20 VAL  HN           19 VAL  MGY         3.50    (#   2522:20  Unique         2.66, 4.36 A)
 &rst
  ixpk= 2522, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 50 LEU  HA           19 VAL  MGY         4.50    (#   2526:20  Unique         2.06, 4.56 A)
 &rst
  ixpk= 2526, nxpk= 20, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 51 LYS  HN           19 VAL  MGY         5.50    (#   2524:20  Unique         3.51, 5.64 A)
 &rst
  ixpk= 2524, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 78 LEU  HN           19 VAL  MGY         5.50    (#   2521:20  Unique         3.98, 6.18 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 19 VAL  MGY          79 LYS  HA          4.50    (#    482:20  Unique         3.73, 5.10 A)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262, 263, 265, 266, 267,
 &end
#
# 79 LYS  HD+          19 VAL  MGY         3.50    (#   2532:20  Unique         2.22, 4.35 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1204,1205,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 84 VAL  MGX          19 VAL  MGY         4.50    (#   2533:20  Unique         4.67, 7.84 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
# 2 ALA  MB            2 ALA  HA          2.80    (#    320:20  Unique         2.47, 2.68 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  25,  26,  27,
 &end
#
# 3 ILE  HB            2 ALA  HA          4.50    (#    321:20  Unique         4.18, 4.34 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  35,  23, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 2 ALA  HA            3 ILE  HG1-        4.50    (#   1454:20  Unique         3.29, 4.43 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  41,  42,
 &end
#
# 2 ALA  HA            3 ILE  HN          2.80    (#    321:10  Unique         2.19, 2.29 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 3 ILE  QD1           2 ALA  HA          4.80    (#    322:20  Unique         4.78, 5.64 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=  44,  45,  46,
 &end
#
# 3 ILE  HA            2 ALA  MB          5.50    (#   1384:20  Unique         4.81, 5.35 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  25,  26,  27,
 &end
#
# 2 ALA  MB            3 ILE  HN          2.80    (#    323:10  Unique         2.41, 3.55 A)
 &rst
  ixpk= 323, 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          4.50    (#   1386:20  Unique         4.03, 7.18 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  56,  57,  58,  60,  61,  62,
 igr2=  25,  26,  27,
 &end
#
# 20 VAL  MGX          20 VAL  HA          3.50    (#    469:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  HA           20 VAL  MGY         4.50    (#   1243:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  HA           21 LEU  HN          5.50    (#    128:10  Unique         2.06, 2.12 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 273, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 LYS  HN           20 VAL  HA          3.50    (#    465:20  Unique         2.53, 2.65 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 750, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 VAL  HN           20 VAL  HB          3.50    (#   1678:20  Unique         2.87, 2.95 A)
 &rst
  ixpk= 1678, nxpk= 20, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 VAL  MGY          20 VAL  HB          2.80    (#   1686:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1686, 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
#
# 53 VAL  MGY          20 VAL  HB          4.50    (#   1688:20  Unique         4.47, 5.80 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 20 VAL  HB           78 LEU  HB+         3.50    (#   2961:20  Unique         2.74, 3.64 A)
 &rst
  ixpk= 2961, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1179,1180,
 &end
#
# 20 VAL  HB           78 LEU  HB-         3.50    (#   2960:20  Unique         2.74, 3.64 A)
 &rst
  ixpk= 2960, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1179,1180,
 &end
#
# 78 LEU  HN           20 VAL  HB          4.50    (#   1680:20  Unique         3.87, 4.05 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=1175, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 VAL  MGX          20 VAL  HN          3.50    (#     63:10  Unique         2.93, 4.31 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  HN           20 VAL  MGY         3.50    (#   1236:20  Unique         2.93, 4.31 A)
 &rst
  ixpk= 1236, 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          5.50    (#   1541:10  Unique         4.06, 4.16 A)
 &rst
  ixpk= 1541, nxpk= 10, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 VAL  HN           50 LEU  MDX         5.50    (#   2676:20  Unique         3.89, 6.46 A)
 &rst
  ixpk= 2676, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 20 VAL  HN           78 LEU  HB+         5.50    (#   2942:20  Unique         3.40, 4.19 A)
 &rst
  ixpk= 2942, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1179,1180,
 &end
#
# 78 LEU  HB-          20 VAL  HN          4.50    (#     61:10  Unique         3.40, 4.19 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1179,1180,
 &end
#
# 78 LEU  HN           20 VAL  HN          3.50    (#     64:10  Unique         2.94, 3.14 A)
 &rst
  ixpk= 64, nxpk= 10, iat=1175, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 VAL  HN           79 LYS  HA          4.50    (#    488:20  Unique         2.81, 3.19 A)
 &rst
  ixpk= 488, nxpk= 20, iat= 271,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 VAL  HN           80 ASP  HN          5.50    (#   1320:10  Unique         4.41, 4.68 A)
 &rst
  ixpk= 1320, nxpk= 10, iat= 271,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 VAL  HN           84 VAL  MGX         5.50    (#    964:20  Unique         5.54, 7.29 A)
 &rst
  ixpk= 964, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 21 LEU  HN           20 VAL  MGX         3.50    (#   2560:20  Unique         2.66, 4.39 A)
 &rst
  ixpk= 2560, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGX          51 LYS  HB+         3.50    (#   1761:20  Unique         2.26, 4.50 A)
 &rst
  ixpk= 1761, 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= 754, 755,
 &end
#
# 20 VAL  MGX          51 LYS  HN          5.50    (#   1362:10  Unique         3.21, 4.71 A)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGX          53 VAL  HB          3.50    (#   2906:20  Unique         2.14, 4.23 A)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGX          53 VAL  HN          3.50    (#    218:10  Unique         2.65, 5.08 A)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 277, 278, 279, 281, 282, 283,
 &end
#
# 21 LEU  HN           20 VAL  MGY         3.50    (#   1235:20  Unique         2.66, 4.39 A)
 &rst
  ixpk= 1235, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 50 LEU  HA           20 VAL  MGY         4.50    (#   1246:20  Unique         4.80, 6.51 A)
 &rst
  ixpk= 1246, nxpk= 20, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 20 VAL  MGY          51 LYS  HB+         3.50    (#   1760:20  Unique         2.26, 4.50 A)
 &rst
  ixpk= 1760, 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= 754, 755,
 &end
#
# 51 LYS  HD+          20 VAL  MGY         3.50    (#   1252:20  Unique         4.00, 5.37 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 760, 761,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 51 LYS  HE+          20 VAL  MGY         5.50    (#   1250:20  Unique         2.11, 3.50 A)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 763, 764,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 51 LYS  HE-          20 VAL  MGY         5.50    (#   1249:20  Unique         2.11, 3.50 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 763, 764,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 78 LEU  HN           20 VAL  MGY         5.50    (#   1238:20  Unique         4.99, 6.04 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 80 ASP  HN           20 VAL  MGY         5.50    (#   1239:20  Unique         3.85, 6.42 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
# 21 LEU  HA           21 LEU  HB+         3.50    (#   2764:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 291, 292,
 &end
#
# 21 LEU  HA           21 LEU  HB-         4.50    (#   2924:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 2924, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 291, 292,
 &end
#
# 21 LEU  HA           21 LEU  HN          3.50    (#    127:10  Unique         2.97, 2.99 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22 ALA  HN           21 LEU  HA          2.80    (#    539:20  Unique         2.19, 2.23 A)
 &rst
  ixpk= 539, nxpk= 20, iat= 306, 289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 21 LEU  HA           50 LEU  MDX         5.50    (#   2672:20  Unique         3.76, 5.78 A)
 &rst
  ixpk= 2672, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 77 VAL  HA           21 LEU  HA          3.50    (#    536:20  Unique         2.37, 2.58 A)
 &rst
  ixpk= 536, nxpk= 20, iat=1161, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21 LEU  HA           78 LEU  HN          3.50    (#     38:10  Unique         3.41, 3.53 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 289,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21 LEU  HG           21 LEU  HB+         3.50    (#   2768:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2768, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 291, 292,
 &end
#
# 21 LEU  HN           21 LEU  HB+         3.50    (#   2771:20  Unique         2.23, 2.69 A)
 &rst
  ixpk= 2771, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 291, 292,
 &end
#
# 22 ALA  HN           21 LEU  HB+         5.50    (#   2772:20  Unique         4.25, 4.47 A)
 &rst
  ixpk= 2772, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
# 50 LEU  MDX          21 LEU  HB+         2.80    (#   2770:20  Unique         2.18, 3.91 A)
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 740, 741, 742, 744, 745, 746,
 igr2= 291, 292,
 &end
#
# 52 ILE  HA           21 LEU  HB+         4.50    (#   2765:20  Unique         2.38, 3.29 A)
 &rst
  ixpk= 2765, nxpk= 20, iat= 774,  -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    (#   2929:20  Unique         2.17, 3.69 A)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 782, 783,
 igr2= 291, 292,
 &end
#
# 21 LEU  HG           21 LEU  HB-         3.50    (#   2928:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2928, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB-          21 LEU  HN          2.80    (#    129:10  Unique         2.23, 2.69 A)
 &rst
  ixpk= 129, 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         3.50    (#   2606:20  Unique         2.38, 3.33 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 291, 292,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 21 LEU  HB-          22 ALA  HN          5.50    (#   1330:10  Unique         4.25, 4.47 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
# 21 LEU  HB-          50 LEU  MDY         4.50    (#   3104:20  Unique         2.18, 3.91 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 291, 292,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 52 ILE  HA           21 LEU  HB-         4.50    (#   2923:20  Unique         2.38, 3.29 A)
 &rst
  ixpk= 2923, nxpk= 20, iat= 774,  -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    (#   2930:20  Unique         2.17, 3.69 A)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 782, 783,
 igr2= 291, 292,
 &end
#
# 21 LEU  HB-          52 ILE  QD1         3.50    (#   1130:20  Unique         3.60, 5.12 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 291, 292,
 igr2= 785, 786, 787,
 &end
#
# 21 LEU  HB-          52 ILE  QG2         3.50    (#   1155:20  Unique         2.59, 4.84 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 291, 292,
 igr2= 778, 779, 780,
 &end
#
# 21 LEU  HB-          53 VAL  HN          5.50    (#   1363:10  Unique         3.67, 4.55 A)
 &rst
  ixpk= 1363, nxpk= 10, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
# 22 ALA  HN           21 LEU  HN          5.50    (#   1540:10  Unique         4.10, 4.25 A)
 &rst
  ixpk= 1540, 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    (#   2675:20  Unique         2.11, 4.38 A)
 &rst
  ixpk= 2675, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 21 LEU  HN           50 LEU  MDY         4.50    (#   3110:20  Unique         2.11, 4.38 A)
 &rst
  ixpk= 3110, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 21  LEU  HN  52  ILE  HA  3.50  (# 2:50)
 &rst
  ixpk= 2, nxpk= 50, iat= 287, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22 ALA  HN           21 LEU  MDX         3.50    (#   2639:20  Unique         2.69, 4.99 A)
 &rst
  ixpk= 2639, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
# 21 LEU  MDX          75 LEU  HB+         3.50    (#   2968:20  Unique         2.23, 4.74 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 296, 297, 298, 300, 301, 302,
 igr2=1125,1126,
 &end
#
# 22 ALA  HN           22 ALA  HA          4.50    (#    420:20  Unique         2.94, 2.97 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 ALA  HA           22 ALA  MB          2.80    (#   1335:20  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1335, nxpk= 20, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
# 23 ASP  HB+          22 ALA  HA          5.50    (#    409:20  Unique         4.40, 4.66 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          22 ALA  HA          4.50    (#    415:20  Unique         4.40, 4.66 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 320, 321,
 &end
#
# 22 ALA  HA           23 ASP  HN          2.80    (#    446:10  Unique         2.12, 2.14 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 22 ALA  HA           53 VAL  HB          3.50    (#   2901:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 2901, nxpk= 20, iat= 308, 795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22 ALA  HA           53 VAL  HN          2.80    (#    211:10  Unique         2.53, 2.77 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 308, 791, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 22 ALA  HA           53 VAL  MGY         3.50    (#   2488:20  Unique         2.33, 4.46 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
# 54 LYS  HD+          22 ALA  HA          5.50    (#    407:20  Unique         5.54, 6.48 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 818,
 &end
#
# 54 LYS  HD-          22 ALA  HA          5.50    (#    406:20  Unique         5.54, 6.48 A)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 818,
 &end
#
# 22 ALA  MB           22 ALA  HN          2.80    (#     34:10  Unique         2.34, 3.01 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
# 22 ALA  HN           23 ASP  HN          5.50    (#   1537:10  Unique         4.13, 4.25 A)
 &rst
  ixpk= 1537, nxpk= 10, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LEU  HA           22 ALA  HN          5.50    (#   1324:10  Unique         4.26, 4.73 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=1123, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 LEU  HB-          22 ALA  HN          4.50    (#     32:10  Unique         3.20, 3.63 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
# 22 ALA  HN           76 LEU  HN          3.50    (#    516:10  Unique         3.13, 3.37 A)
 &rst
  ixpk= 516, nxpk= 10, iat= 306,1140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 77 VAL  HA           22 ALA  HN          4.50    (#     31:10  Unique         3.38, 3.51 A)
 &rst
  ixpk= 31, nxpk= 10, iat=1161, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 ALA  HN           77 VAL  MGX         5.50    (#   1219:20  Unique         4.44, 5.94 A)
 &rst
  ixpk= 1219, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 22 ALA  HN           78 LEU  MDX         4.50    (#   2626:20  Unique         2.75, 5.33 A)
 &rst
  ixpk= 2626, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 24 PHE  HD           22 ALA  MB          4.50    (#   1329:20  Unique         3.40, 5.46 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 336, 344,
 igr2= 310, 311, 312,
 &end
#
# 22 ALA  MB           53 VAL  HB          3.50    (#   2904:20  Unique         2.59, 3.91 A)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
# 53 VAL  MGY          22 ALA  MB          3.50    (#   1339:20  Unique         2.62, 5.32 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 310, 311, 312,
 &end
#
# 55 ILE  QD1          22 ALA  MB          4.50    (#   1340:20  Unique         4.10, 6.40 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 842, 843, 844,
 igr2= 310, 311, 312,
 &end
#
# 75 LEU  HA           22 ALA  MB          5.50    (#   1326:20  Unique         4.90, 5.81 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
# 76 LEU  HB-          22 ALA  MB          3.50    (#   1337:20  Unique         2.17, 3.61 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1144,1145,
 igr2= 310, 311, 312,
 &end
#
# 22 ALA  MB           76 LEU  HN          3.50    (#    520:10  Unique         3.10, 4.22 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
# 78 LEU  MDX          22 ALA  MB          2.80    (#   1338:20  Unique         2.37, 4.84 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2= 310, 311, 312,
 &end
#
# 23 ASP  HB+          23 ASP  HA          3.50    (#    546:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 546, 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          3.50    (#    545:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 320, 321,
 &end
#
# 24 PHE  HB-          23 ASP  HA          5.50    (#    549:20  Unique         4.36, 5.06 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
# 24 PHE  HD           23 ASP  HA          4.50    (#    551:20  Unique         3.75, 5.51 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 336, 344,
 &end
#
# 75 LEU  HA           23 ASP  HA          3.50    (#    550:20  Unique         2.53, 2.65 A)
 &rst
  ixpk= 550, nxpk= 20, iat=1123, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23 ASP  HA           75 LEU  HG          4.50    (#   1525:20  Unique         3.16, 4.32 A)
 &rst
  ixpk= 1525, nxpk= 20, iat= 318,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 ASP  HA           75 LEU  MDX         3.50    (#   2751:20  Unique         2.12, 4.40 A)
 &rst
  ixpk= 2751, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
# 23 ASP  HA           76 LEU  HN          4.50    (#    513:10  Unique         3.55, 3.72 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 318,1140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 ASP  HB+          23 ASP  HN          2.80    (#    448:10  Unique         2.29, 2.61 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB+          24 PHE  HN          5.50    (#   1350:10  Unique         4.33, 4.46 A)
 &rst
  ixpk= 1350, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB+          54 LYS  HA          3.50    (#    496:20  Unique         2.48, 3.58 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB+          75 LEU  MDX         3.50    (#   2749:20  Unique         2.39, 5.30 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 321,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
# 23 ASP  HB-          23 ASP  HN          2.80    (#    443:10  Unique         2.29, 2.61 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          24 PHE  HN          5.50    (#   1349:10  Unique         4.33, 4.46 A)
 &rst
  ixpk= 1349, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          52 ILE  QG2         5.50    (#   1153:20  Unique         3.46, 4.02 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 320, 321,
 igr2= 778, 779, 780,
 &end
#
# 23 ASP  HB-          54 LYS  HA          3.50    (#    493:20  Unique         2.48, 3.58 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 320, 321,
 &end
#
# 23 ASP  HB-          54 LYS  HB+         4.50    (#   1723:20  Unique         4.72, 5.95 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 320, 321,
 igr2= 811, 812,
 &end
#
# 23 ASP  HB-          54 LYS  HG-         4.50    (#   1582:20  Unique         3.52, 5.07 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 320, 321,
 igr2= 814, 815,
 &end
#
# 23 ASP  HB-          55 ILE  HN          4.50    (#   1392:10  Unique         3.79, 4.77 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 320, 321,
 &end
#
# 75 LEU  MDX          23 ASP  HB-         4.50    (#   1883:20  Unique         2.39, 5.30 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1130,1131,1132,1134,1135,1136,
 igr2= 320, 321,
 &end
#
# 23 ASP  HN           52 ILE  QG2         5.50    (#   1151:20  Unique         3.56, 4.13 A)
 &rst
  ixpk= 1151, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 778, 779, 780,
 &end
#
# 23 ASP  HN           53 VAL  HB          5.50    (#   2900:20  Unique         4.13, 4.29 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 316, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 ASP  HN           53 VAL  MGY         4.50    (#   2486:20  Unique         3.42, 5.69 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
# 23 ASP  HN           54 LYS  HA          3.50    (#    489:20  Unique         2.95, 3.11 A)
 &rst
  ixpk= 489, nxpk= 20, iat= 316, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24 PHE  HA           24 PHE  HB+         3.50    (#    811:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 811, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
# 24 PHE  HA           24 PHE  HB-         3.50    (#    718:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 332, 333,
 &end
#
# 24 PHE  HD           24 PHE  HA          4.50    (#    477:20  Unique         2.88, 3.47 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 336, 344,
 &end
#
# 24 PHE  HN           24 PHE  HA          4.50    (#    481:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 481, nxpk= 20, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HD1          24 PHE  HA          4.50    (#    478:20  Unique         3.22, 3.33 A)
 &rst
  ixpk= 478, nxpk= 20, iat= 356, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24 PHE  HA           25 TRP  HN          2.80    (#    391:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 330, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 ILE  HN           24 PHE  HA          4.50    (#    480:20  Unique         3.08, 3.29 A)
 &rst
  ixpk= 480, nxpk= 20, iat= 829, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24 PHE  HA           55 ILE  QG2         3.50    (#    929:20  Unique         2.07, 3.12 A)
 &rst
  ixpk= 929, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 835, 836, 837,
 &end
#
# 24 PHE  HA           57 VAL  MGY         4.50    (#   2460:20  Unique         3.44, 5.35 A)
 &rst
  ixpk= 2460, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 24 PHE  HD           24 PHE  HB+         3.50    (#    812:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 812, 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    (#    110:10  Unique         2.27, 2.96 A)
 &rst
  ixpk= 110, 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          4.50    (#    393:10  Unique         3.48, 4.00 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB+          57 VAL  MGX         4.50    (#   1172:20  Unique         2.36, 4.90 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 24 PHE  HB+          57 VAL  MGY         3.50    (#   2456:20  Unique         2.36, 4.90 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 332, 333,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 24 PHE  HB+          69 VAL  MGX         5.50    (#   1011:20  Unique         2.38, 4.62 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 332, 333,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 24 PHE  HB+          69 VAL  MGY         3.50    (#   1210:20  Unique         2.38, 4.62 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 332, 333,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 24 PHE  HB+          72 ILE  QG2         5.50    (#   1178:20  Unique         2.45, 4.02 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 332, 333,
 igr2=1080,1081,1082,
 &end
#
# 74 THR  HB           24 PHE  HB+         4.50    (#    810:20  Unique         2.12, 2.75 A)
 &rst
  ixpk= 810, nxpk= 20, iat=1111,  -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    (#    573:10  Unique         3.09, 3.72 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 332, 333,
 &end
#
# 74 THR  MG2          24 PHE  HB+         5.50    (#    808:20  Unique         2.90, 4.60 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1113,1114,1115,
 igr2= 332, 333,
 &end
#
# 24 PHE  HD           24 PHE  HB-         3.50    (#    717:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 717, 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    (#    109:10  Unique         2.27, 2.96 A)
 &rst
  ixpk= 109, 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    (#   1239:10  Unique         3.48, 4.00 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB-          57 VAL  MGY         4.50    (#   2457:20  Unique         2.36, 4.90 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 24 PHE  HB-          69 VAL  MGX         4.50    (#    996:20  Unique         2.38, 4.62 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 24 PHE  HB-          69 VAL  MGY         4.50    (#   1209:20  Unique         2.38, 4.62 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 332, 333,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 24 PHE  HB-          72 ILE  QG2         4.50    (#   1179:20  Unique         2.45, 4.02 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 332, 333,
 igr2=1080,1081,1082,
 &end
#
# 24 PHE  HB-          74 THR  HB          3.50    (#      4:20  Unique         2.12, 2.75 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB-          74 THR  HN          3.50    (#    571:10  Unique         3.09, 3.72 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 &end
#
# 24 PHE  HB-          74 THR  MG2         4.50    (#   1288:20  Unique         2.90, 4.60 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 332, 333,
 igr2=1113,1114,1115,
 &end
#
# 24 PHE  HD           24 PHE  HN          3.50    (#    106:10  Unique         2.29, 3.75 A)
 &rst
  ixpk= 106, 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    (#    923:20  Unique         2.75, 4.04 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 336, 344,
 igr2= 835, 836, 837,
 &end
#
# 24 PHE  HD           57 VAL  MGX         4.50    (#   1166:20  Unique         2.06, 6.03 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 344,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 24 PHE  HD           57 VAL  MGY         3.50    (#   2461:20  Unique         2.06, 6.03 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 344,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 24 PHE  HD           64 ALA  HA          4.50    (#    297:20  Unique         2.87, 4.68 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 336, 344,
 &end
#
# 24 PHE  HD           64 ALA  MB          3.50    (#   2388:20  Unique         2.27, 5.06 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 336, 344,
 igr2= 967, 968, 969,
 &end
#
# 24 PHE  HD           69 VAL  MGX         4.50    (#   1003:20  Unique         2.77, 5.36 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 344,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 24 PHE  HD           69 VAL  MGY         4.50    (#   1205:20  Unique         2.77, 5.36 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 344,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 24 PHE  HD           74 THR  HB          4.50    (#      9:20  Unique         4.06, 4.81 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 336, 344,
 &end
#
# 24 PHE  HD           74 THR  HN          5.50    (#   1301:10  Unique         4.94, 5.85 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 344,
 &end
#
# 24 PHE  HD           74 THR  MG2         4.50    (#   1279:20  Unique         3.10, 5.73 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 336, 344,
 igr2=1113,1114,1115,
 &end
#
# 24 PHE  HD           75 LEU  HA          5.50    (#    592:20  Unique         3.67, 5.87 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 344,
 &end
#
# 24 PHE  HD           76 LEU  HN          5.50    (#   1421:10  Unique         2.83, 5.10 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 344,
 &end
#
# 24 PHE  HN           57 VAL  MGY         5.50    (#   2465:20  Unique         5.55, 7.33 A)
 &rst
  ixpk= 2465, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 74 THR  HB           24 PHE  HN          5.50    (#   1348:10  Unique         3.92, 4.02 A)
 &rst
  ixpk= 1348, nxpk= 10, iat=1111, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PHE  HN           74 THR  HN          4.50    (#    566:10  Unique         3.28, 3.46 A)
 &rst
  ixpk= 566, nxpk= 10, iat= 328,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 LEU  HA           24 PHE  HN          4.50    (#    107:10  Unique         3.05, 3.19 A)
 &rst
  ixpk= 107, nxpk= 10, iat=1123, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 LEU  MDX          24 PHE  HN          4.50    (#    111:10  Unique         3.32, 5.83 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1130,1131,1132,1134,1135,1136,
 &end
#
# 24 PHE  HN           76 LEU  HN          4.50    (#    515:10  Unique         3.63, 3.67 A)
 &rst
  ixpk= 515, nxpk= 10, iat= 328,1140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HA           25 TRP  HB+         3.50    (#    780:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 780, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 352, 353,
 &end
#
# 25 TRP  HA           25 TRP  HN          3.50    (#    385:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HA           26 ALA  HN          2.80    (#    764:10  Unique         2.55, 2.59 A)
 &rst
  ixpk= 764, nxpk= 10, iat= 350, 372, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 26 ALA  MB           25 TRP  HA          5.50    (#    501:20  Unique         4.52, 5.07 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 376, 377, 378,
 &end
#
# 25 TRP  HA           32 CYS  HB-         5.50    (#    743:20  Unique         3.97, 4.24 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 350, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 VAL  MGX          25 TRP  HA          5.50    (#    503:20  Unique         3.84, 5.32 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 25 TRP  HA           72 ILE  HB          4.50    (#   1844:20  Unique         2.13, 2.28 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 350,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HA           72 ILE  QD1         4.50    (#    945:20  Unique         2.81, 5.01 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1087,1088,1089,
 &end
#
# 25 TRP  HA           72 ILE  QG2         4.50    (#   1192:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 1192, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1080,1081,1082,
 &end
#
# 25 TRP  HB+          25 TRP  HD1         4.50    (#   3182:20  Unique         2.80, 3.36 A)
 &rst
  ixpk= 3182, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB+          25 TRP  HN          4.50    (#    392:10  Unique         3.11, 3.52 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
# 25 TRP  HZ3          25 TRP  HB+         5.50    (#    778:20  Unique         4.94, 5.60 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 352, 353,
 &end
#
# 25 TRP  HB+          26 ALA  HN          2.80    (#    768:10  Unique         2.28, 3.12 A)
 &rst
  ixpk= 768, 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  HA          5.50    (#   2245:20  Unique         4.04, 4.64 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB+          32 CYS  HB+         3.50    (#    750:20  Unique         2.67, 4.24 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
# 25 TRP  HB+          32 CYS  HB-         3.50    (#    752:20  Unique         2.25, 3.18 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
# 72 ILE  QD1          25 TRP  HB+         5.50    (#    785:20  Unique         4.31, 7.04 A)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1087,1088,1089,
 igr2= 352, 353,
 &end
#
# 72 ILE  QG2          25 TRP  HB+         5.50    (#    784:20  Unique         4.72, 5.65 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1080,1081,1082,
 igr2= 352, 353,
 &end
#
# 25 TRP  HD1          25 TRP  HE1         3.50    (#     12:10  Unique         2.55, 2.56 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 356, 358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HD1          25 TRP  HN          2.80    (#    384:10  Unique         2.23, 2.34 A)
 &rst
  ixpk= 384, nxpk= 10, iat= 356, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 TRP  HD1          54 LYS  HA          4.50    (#    492:20  Unique         3.54, 3.66 A)
 &rst
  ixpk= 492, nxpk= 20, iat= 356, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HD1          54 LYS  HB+         4.50    (#   1715:20  Unique         3.59, 4.71 A)
 &rst
  ixpk= 1715, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 811, 812,
 &end
#
# 54 LYS  HB-          25 TRP  HD1         4.50    (#   3183:20  Unique         3.59, 4.71 A)
 &rst
  ixpk= 3183, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 812,
 &end
#
# 25 TRP  HD1          55 ILE  HN          3.50    (#    398:10  Unique         2.23, 2.31 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 356, 829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HD1          55 ILE  QG2         4.50    (#    924:20  Unique         4.22, 4.89 A)
 &rst
  ixpk= 924, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 835, 836, 837,
 &end
#
# 25 TRP  HD1          56 ASP  HA          4.50    (#    313:20  Unique         3.36, 3.56 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 356, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25 TRP  HD1          56 ASP  HN          5.50    (#   1246:10  Unique         4.14, 4.51 A)
 &rst
  ixpk= 1246, nxpk= 10, iat= 356, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HD1          57 VAL  HN          5.50    (#   1383:10  Unique         4.88, 5.11 A)
 &rst
  ixpk= 1383, nxpk= 10, iat= 356, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HD1          57 VAL  MGX         5.50    (#   1168:20  Unique         5.10, 6.90 A)
 &rst
  ixpk= 1168, nxpk= 20, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 25 TRP  HN           25 TRP  HE1         5.50    (#   1312:10  Unique         4.39, 4.43 A)
 &rst
  ixpk= 1312, nxpk= 10, iat= 348, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HZ2          25 TRP  HE1         4.50    (#     11:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 11, nxpk= 10, iat= 361, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 54 LYS  HB+          25 TRP  HE1         4.50    (#     17:10  Unique         2.43, 3.47 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 812,
 &end
#
# 54 LYS  HB-          25 TRP  HE1         3.50    (#     13:10  Unique         2.43, 3.47 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 811, 812,
 &end
#
# 54 LYS  HE+          25 TRP  HE1         5.50    (#   1317:10  Unique         4.85, 5.70 A)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 820, 821,
 &end
#
# 54 LYS  HG+          25 TRP  HE1         5.50    (#   1318:10  Unique         2.53, 4.40 A)
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 814, 815,
 &end
#
# 55 ILE  HA           25 TRP  HE1         5.50    (#   1314:10  Unique         3.60, 3.81 A)
 &rst
  ixpk= 1314, nxpk= 10, iat= 831, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE  HN           25 TRP  HE1         5.50    (#   1310:10  Unique         3.15, 3.29 A)
 &rst
  ixpk= 1310, nxpk= 10, iat= 829, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 ASP  HA           25 TRP  HE1         5.50    (#   1313:10  Unique         3.50, 3.78 A)
 &rst
  ixpk= 1313, nxpk= 10, iat= 850, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HE1          56 ASP  HB+         4.50    (#   2909:20  Unique         3.07, 4.20 A)
 &rst
  ixpk= 2909, nxpk= 20, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
# 56 ASP  HB-          25 TRP  HE1         5.50    (#   1316:10  Unique         3.07, 4.20 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
# 56 ASP  HN           25 TRP  HE1         5.50    (#   1311:10  Unique         3.14, 3.70 A)
 &rst
  ixpk= 1311, nxpk= 10, iat= 848, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 TRP  HH2          25 TRP  HZ2         3.50    (#    575:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 363, 361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HH2          27 PRO  HB-         3.50    (#   3134:20  Unique         3.04, 4.03 A)
 &rst
  ixpk= 3134, nxpk= 20, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 389, 390,
 &end
#
# 25 TRP  HH2          27 PRO  HG+         5.50    (#   1434:20  Unique         4.12, 5.36 A)
 &rst
  ixpk= 1434, nxpk= 20, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
# 25 TRP  HH2          27 PRO  HG-         4.50    (#   1435:20  Unique         4.12, 5.36 A)
 &rst
  ixpk= 1435, 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          4.50    (#    397:10  Unique         3.61, 3.70 A)
 &rst
  ixpk= 397, nxpk= 10, iat= 348, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 55 ILE  QG2          25 TRP  HN          4.50    (#    388:10  Unique         3.76, 4.82 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 835, 836, 837,
 &end
#
# 25 TRP  HN           56 ASP  HA          3.50    (#    316:20  Unique         2.79, 2.96 A)
 &rst
  ixpk= 316, nxpk= 20, iat= 348, 850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HN           57 VAL  HN          3.50    (#    328:10  Unique         3.28, 3.41 A)
 &rst
  ixpk= 328, nxpk= 10, iat= 348, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HN           57 VAL  MGX         4.50    (#   1162:20  Unique         2.83, 4.74 A)
 &rst
  ixpk= 1162, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGY          25 TRP  HN          3.50    (#    387:10  Unique         2.83, 4.74 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 72 ILE  QG2          25 TRP  HN          5.50    (#   1241:10  Unique         3.42, 4.37 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1080,1081,1082,
 &end
#
# 25 TRP  HZ2          54 LYS  HE+         5.50    (#   1856:20  Unique         4.88, 6.29 A)
 &rst
  ixpk= 1856, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 820, 821,
 &end
#
# 25 TRP  HZ2          56 ASP  HB+         4.50    (#   1835:20  Unique         3.65, 4.84 A)
 &rst
  ixpk= 1835, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
# 56 ASP  HB-          25 TRP  HZ2         5.50    (#   3237:20  Unique         3.65, 4.84 A)
 &rst
  ixpk= 3237, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
# 25 TRP  HZ3          27 PRO  HA          3.50    (#   2201:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 2201, nxpk= 20, iat= 365, 392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25 TRP  HZ3          27 PRO  HB+         4.50    (#   3131:20  Unique         2.42, 3.40 A)
 &rst
  ixpk= 3131, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 389, 390,
 &end
#
# 25 TRP  HZ3          27 PRO  HB-         3.50    (#   3132:20  Unique         2.42, 3.40 A)
 &rst
  ixpk= 3132, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 389, 390,
 &end
#
# 25 TRP  HZ3          27 PRO  HD-         5.50    (#   3112:20  Unique         3.53, 4.70 A)
 &rst
  ixpk= 3112, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
# 25 TRP  HZ3          27 PRO  HG+         5.50    (#   1432:20  Unique         4.41, 5.13 A)
 &rst
  ixpk= 1432, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
# 25 TRP  HZ3          27 PRO  HG-         5.50    (#   1433:20  Unique         4.41, 5.13 A)
 &rst
  ixpk= 1433, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
# 26 ALA  HN           26 ALA  HA          3.50    (#    331:20  Unique         2.86, 2.90 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26 ALA  HA           26 ALA  MB          3.50    (#   2513:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2513, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 376, 377, 378,
 &end
#
# 26 ALA  HA           27 PRO  HD+         2.80    (#    383:20  Unique         2.36, 2.48 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 383, 384,
 &end
#
# 26 ALA  HA           27 PRO  HD-         3.50    (#   3115:20  Unique         2.36, 2.48 A)
 &rst
  ixpk= 3115, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 383, 384,
 &end
#
# 26 ALA  HA           56 ASP  HA          5.50    (#    312:20  Unique         3.28, 3.59 A)
 &rst
  ixpk= 312, nxpk= 20, iat= 374, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  HA           57 VAL  HN          5.50    (#   1380:10  Unique         3.51, 3.89 A)
 &rst
  ixpk= 1380, nxpk= 10, iat= 374, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  MB           26 ALA  HN          3.50    (#    769:10  Unique         2.93, 3.45 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 376, 377, 378,
 &end
#
# 28 TRP  HD1          26 ALA  HN          5.50    (#    789:10  Unique         5.17, 5.36 A)
 &rst
  ixpk= 789, nxpk= 10, iat= 404, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  HN           29 CYS  HB+         5.50    (#   1393:20  Unique         2.73, 3.28 A)
 &rst
  ixpk= 1393, nxpk= 20, iat= 372, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 ALA  HN           29 CYS  HB-         5.50    (#   3070:20  Unique         2.82, 3.29 A)
 &rst
  ixpk= 3070, nxpk= 20, iat= 372, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 CYS  HB+          26 ALA  HN          4.50    (#    765:10  Unique         3.13, 3.53 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 456, 372, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 CYS  HB-          26 ALA  HN          3.50    (#    767:10  Unique         3.22, 3.48 A)
 &rst
  ixpk= 767, nxpk= 10, iat= 457, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  MGX          26 ALA  HN          5.50    (#   1453:10  Unique         4.58, 6.11 A)
 &rst
  ixpk= 1453, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 72 ILE  HB           26 ALA  HN          5.50    (#   1433:10  Unique         3.25, 3.66 A)
 &rst
  ixpk= 1433, nxpk= 10, iat=1078, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ILE  QD1          26 ALA  HN          4.50    (#    770:10  Unique         2.52, 4.76 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1087,1088,1089,
 &end
#
# 72 ILE  QG2          26 ALA  HN          5.50    (#   1432:10  Unique         3.58, 4.89 A)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1080,1081,1082,
 &end
#
# 27 PRO  HD+          26 ALA  MB          3.50    (#   2512:20  Unique         2.19, 3.81 A)
 &rst
  ixpk= 2512, 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
#
# 26 ALA  MB           27 PRO  HD-         3.50    (#   3120:20  Unique         2.19, 3.81 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 376, 377, 378,
 igr2= 383, 384,
 &end
#
# 26 ALA  MB           27 PRO  HG+         5.50    (#   1420:20  Unique         4.21, 5.60 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 376, 377, 378,
 igr2= 386, 387,
 &end
#
# 26 ALA  MB           27 PRO  HG-         5.50    (#   1421:20  Unique         4.21, 5.60 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 376, 377, 378,
 igr2= 386, 387,
 &end
#
# 28 TRP  HD1          26 ALA  MB          3.50    (#   2518:20  Unique         2.64, 3.47 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 376, 377, 378,
 &end
#
# 26 ALA  MB           28 TRP  HN          3.50    (#   1158:10  Unique         2.97, 3.85 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 376, 377, 378,
 &end
#
# 26 ALA  MB           29 CYS  HB-         4.50    (#   3064:20  Unique         3.28, 4.80 A)
 &rst
  ixpk= 3064, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 376, 377, 378,
 &end
#
# 26 ALA  MB           29 CYS  HN          5.50    (#    345:10  Unique         3.16, 4.08 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 376, 377, 378,
 &end
#
# 57 VAL  HB           26 ALA  MB          5.50    (#   2516:20  Unique         5.07, 6.34 A)
 &rst
  ixpk= 2516, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 376, 377, 378,
 &end
#
# 57 VAL  HN           26 ALA  MB          4.50    (#   2520:20  Unique         3.34, 4.52 A)
 &rst
  ixpk= 2520, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 376, 377, 378,
 &end
#
# 26 ALA  MB           57 VAL  MGX         3.50    (#   1175:20  Unique         2.24, 5.18 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 376, 377, 378,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 26 ALA  MB           58 ASP  HB-         5.50    (#    681:20  Unique         4.22, 5.46 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 376, 377, 378,
 igr2= 880, 881,
 &end
#
# 26 ALA  MB           58 ASP  HN          4.50    (#    355:10  Unique         3.87, 5.02 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1, 876, 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    (#   3129:20  Unique         2.30, 2.53 A)
 &rst
  ixpk= 3129, 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-         3.50    (#   3128:20  Unique         2.30, 2.53 A)
 &rst
  ixpk= 3128, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 389, 390,
 &end
#
# 27 PRO  HD+          27 PRO  HA          5.50    (#   2204:20  Unique         3.45, 3.79 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 383, 384,
 &end
#
# 27 PRO  HA           27 PRO  HD-         5.50    (#   3114:20  Unique         3.45, 3.79 A)
 &rst
  ixpk= 3114, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
# 27 PRO  HA           27 PRO  HG+         4.50    (#   1428:20  Unique         3.85, 3.97 A)
 &rst
  ixpk= 1428, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 386, 387,
 &end
#
# 27 PRO  HA           27 PRO  HG-         4.50    (#   1429:20  Unique         3.85, 3.97 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 386, 387,
 &end
#
# 27 PRO  HA           28 TRP  HN          4.50    (#   1153:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 1153, nxpk= 10, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 CYS  HN           27 PRO  HA          5.50    (#   2200:20  Unique         3.55, 3.69 A)
 &rst
  ixpk= 2200, nxpk= 20, iat= 420, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 PRO  HD+          27 PRO  HB+         4.50    (#   3127:20  Unique         2.82, 3.68 A)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 383, 384,
 igr2= 389, 390,
 &end
#
# 28 TRP  HN           27 PRO  HB+         5.50    (#   3130:20  Unique         3.57, 4.04 A)
 &rst
  ixpk= 3130, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 389, 390,
 &end
#
# 27 PRO  HD+          27 PRO  HB-         4.50    (#   3126:20  Unique         2.82, 3.68 A)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 383, 384,
 igr2= 389, 390,
 &end
#
# 27 PRO  HB-          27 PRO  HD-         4.50    (#   3117:20  Unique         2.82, 3.68 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 389, 390,
 igr2= 383, 384,
 &end
#
# 27 PRO  HB-          27 PRO  HG+         3.50    (#   1422:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1422, 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  HB-          27 PRO  HG-         3.50    (#   1423:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1423, 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+         3.50    (#   1424:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 383, 384,
 igr2= 386, 387,
 &end
#
# 27 PRO  HD+          27 PRO  HG-         3.50    (#   1425:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 383, 384,
 igr2= 386, 387,
 &end
#
# 28 TRP  HD1          27 PRO  HD+         4.50    (#    387:20  Unique         4.64, 5.38 A)
 &rst
  ixpk= 387, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
# 28 TRP  HE1          27 PRO  HD+         5.50    (#    381:20  Unique         4.14, 5.24 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 383, 384,
 &end
#
# 28 TRP  HN           27 PRO  HD+         4.50    (#    385:20  Unique         2.75, 3.42 A)
 &rst
  ixpk= 385, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 383, 384,
 &end
#
# 58 ASP  HB-          27 PRO  HD+         5.50    (#    382:20  Unique         4.52, 6.02 A)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 880, 881,
 igr2= 383, 384,
 &end
#
# 27 PRO  HG+          27 PRO  HD-         3.50    (#   3118:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 3118, 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  HG-          27 PRO  HD-         3.50    (#   3119:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 3119, 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          5.50    (#   1512:10  Unique         2.75, 3.42 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 383, 384,
 &end
#
# 28 TRP  HD1          27 PRO  HG+         5.50    (#   1436:20  Unique         5.14, 6.05 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
# 27 PRO  HG+          28 TRP  HN          3.50    (#   1157:10  Unique         2.58, 3.45 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 386, 387,
 &end
#
# 28 TRP  HD1          27 PRO  HG-         5.50    (#   1437:20  Unique         5.14, 6.05 A)
 &rst
  ixpk= 1437, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
# 28 TRP  HN           27 PRO  HG-         5.50    (#   1431:20  Unique         2.58, 3.45 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
# 28 TRP  HB+          28 TRP  HA          3.50    (#   2299:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 400, 401,
 &end
#
# 28 TRP  HB-          28 TRP  HA          3.50    (#   2298:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 2298, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 400, 401,
 &end
#
# 28 TRP  HD1          28 TRP  HA          4.50    (#   2297:20  Unique         4.11, 4.17 A)
 &rst
  ixpk= 2297, nxpk= 20, iat= 404, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 TRP  HA           28 TRP  HN          3.50    (#   1152:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 1152, nxpk= 10, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 TRP  HA           29 CYS  HN          4.50    (#    339:10  Unique         3.32, 3.37 A)
 &rst
  ixpk= 339, nxpk= 10, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 TRP  HA           33 LYS  HE+         4.50    (#   1936:20  Unique         3.30, 4.52 A)
 &rst
  ixpk= 1936, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 476, 477,
 &end
#
# 28 TRP  HD1          28 TRP  HB+         3.50    (#    763:20  Unique         3.05, 3.51 A)
 &rst
  ixpk= 763, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 400, 401,
 &end
#
# 28 TRP  HB+          28 TRP  HN          3.50    (#   1156:10  Unique         2.90, 3.25 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 400, 401,
 &end
#
# 28 TRP  HD1          28 TRP  HB-         3.50    (#    762:20  Unique         3.05, 3.51 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 400, 401,
 &end
#
# 28 TRP  HN           28 TRP  HB-         4.50    (#    760:20  Unique         2.90, 3.25 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 400, 401,
 &end
#
# 28 TRP  HD1          28 TRP  HN          2.80    (#   1150:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1150, nxpk= 10, iat= 404, 396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 TRP  HD1          29 CYS  HA          3.50    (#   2152:20  Unique         3.46, 3.51 A)
 &rst
  ixpk= 2152, nxpk= 20, iat= 404, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 TRP  HD1          29 CYS  HB+         5.50    (#   1395:20  Unique         3.05, 3.42 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 404, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 TRP  HD1          29 CYS  HB-         5.50    (#   3071:20  Unique         4.22, 4.54 A)
 &rst
  ixpk= 3071, nxpk= 20, iat= 404, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 TRP  HD1          29 CYS  HN          5.50    (#    340:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 340, nxpk= 10, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 TRP  HD1          57 VAL  MGX         5.50    (#   1167:20  Unique         5.92, 7.90 A)
 &rst
  ixpk= 1167, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 28 TRP  HD1          72 ILE  QD1         4.50    (#    949:20  Unique         3.10, 4.75 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1087,1088,1089,
 &end
#
# 29 CYS  HN           28 TRP  HN          2.80    (#   1151:10  Unique         2.49, 2.53 A)
 &rst
  ixpk= 1151, nxpk= 10, iat= 420, 396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 29 CYS  HB+          29 CYS  HA          4.50    (#   2149:20  Unique         2.43, 2.58 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 CYS  HA           29 CYS  HB-         4.50    (#   3067:20  Unique         2.51, 2.92 A)
 &rst
  ixpk= 3067, nxpk= 20, iat= 422, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 CYS  HA           29 CYS  HN          3.50    (#    342:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 CYS  HB+          29 CYS  HN          2.80    (#    344:10  Unique         2.36, 2.58 A)
 &rst
  ixpk= 344, nxpk= 10, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 29 CYS  HB+          72 ILE  HN          5.50    (#    868:10  Unique         5.20, 5.56 A)
 &rst
  ixpk= 868, nxpk= 10, iat= 424,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ILE  QD1          29 CYS  HB+         4.50    (#   1390:20  Unique         2.19, 3.73 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1087,1088,1089,
 &end
#
# 29 CYS  HB-          29 CYS  HN          2.80    (#    343:10  Unique         2.43, 2.71 A)
 &rst
  ixpk= 343, nxpk= 10, iat= 425, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32 CYS  HB+          29 CYS  HB-         4.50    (#   3066:20  Unique         2.15, 2.96 A)
 &rst
  ixpk= 3066, nxpk= 20, iat= 456, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 CYS  HB-          32 CYS  HB-         5.50    (#    754:20  Unique         2.35, 3.90 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 425, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 CYS  HN           29 CYS  HB-         5.50    (#   3072:20  Unique         2.88, 3.22 A)
 &rst
  ixpk= 3072, nxpk= 20, iat= 452, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ILE  QD1          29 CYS  HB-         4.50    (#   3063:20  Unique         2.89, 4.98 A)
 &rst
  ixpk= 3063, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1087,1088,1089,
 &end
#
# 32 CYS  HB+          29 CYS  HN          5.50    (#   1388:10  Unique         3.55, 4.14 A)
 &rst
  ixpk= 1388, nxpk= 10, iat= 456, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 ILE  QD1          29 CYS  HN          5.50    (#   1454:10  Unique         4.11, 5.71 A)
 &rst
  ixpk= 1454, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1087,1088,1089,
 &end
#
# 3 ILE  HB            3 ILE  HA          3.50    (#   2263:20  Unique         3.02, 3.05 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 ILE  HG1+          3 ILE  HA          3.50    (#   2265:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  41,  42,
 &end
#
# 3 ILE  HG1-          3 ILE  HA          3.50    (#   2262:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 2262, 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    (#    320:10  Unique         2.84, 2.92 A)
 &rst
  ixpk= 320, 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    (#   1107:20  Unique         4.36, 4.64 A)
 &rst
  ixpk= 1107, 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          3.50    (#   2264:20  Unique         2.66, 3.34 A)
 &rst
  ixpk= 2264, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  37,  38,  39,
 &end
#
# 3 ILE  HA            4 VAL  HB          4.50    (#   1667:20  Unique         4.34, 4.45 A)
 &rst
  ixpk= 1667, 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    (#     98:10  Unique         2.23, 2.35 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  33,  50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 47 GLY  HA-           3 ILE  HA          5.50    (#   2179:20  Unique         5.84, 6.28 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
# 52 ILE  HB            3 ILE  HA          3.50    (#   2261:20  Unique         2.52, 2.90 A)
 &rst
  ixpk= 2261, nxpk= 20, iat= 776,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 ILE  HA           52 ILE  HN          3.50    (#   1265:10  Unique         2.85, 3.09 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=  33, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 3 ILE  HA           52 ILE  QD1         5.50    (#   1125:20  Unique         4.72, 5.72 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 785, 786, 787,
 &end
#
# 3 ILE  HA           52 ILE  QG2         4.50    (#   1147:20  Unique         3.96, 5.06 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 778, 779, 780,
 &end
#
# 3 ILE  HB            3 ILE  HN          2.80    (#    322:10  Unique         2.10, 2.16 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 3 ILE  QD1           3 ILE  HB          3.50    (#   1797:20  Unique         2.47, 3.10 A)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
# 3 ILE  QG2           3 ILE  HB          3.50    (#   1796:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  37,  38,  39,
 &end
#
# 3 ILE  HN            3 ILE  HG1-        3.50    (#   1451:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  41,  42,
 &end
#
# 3 ILE  HG1-          3 ILE  QD1         2.80    (#   1118:20  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1118, 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    (#   1960:20  Unique         2.40, 3.39 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  41,  42,
 igr2= 633, 634,
 &end
#
# 3 ILE  HG1-         43 ASP  HB-         4.50    (#   1959:20  Unique         2.40, 3.39 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  41,  42,
 igr2= 633, 634,
 &end
#
# 3 ILE  QD1           3 ILE  HN          3.50    (#    324:10  Unique         3.21, 4.31 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  44,  45,  46,
 &end
#
# 3 ILE  QG2           3 ILE  HN          4.50    (#   1232:10  Unique         3.94, 4.37 A)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  37,  38,  39,
 &end
#
# 37 PRO  HA            3 ILE  QD1         5.50    (#   1109:20  Unique         5.72, 6.49 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  44,  45,  46,
 &end
#
# 39 LEU  HB-           3 ILE  QD1         4.50    (#   1116:20  Unique         2.80, 4.05 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 565, 566,
 igr2=  44,  45,  46,
 &end
#
# 40 GLU  HA            3 ILE  QD1         3.50    (#   1110:20  Unique         2.24, 3.31 A)
 &rst
  ixpk= 1110, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  44,  45,  46,
 &end
#
# 3 ILE  QD1          40 GLU  HG+         3.50    (#   1690:20  Unique         2.52, 3.46 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,
 igr2= 587, 588,
 &end
#
# 3 ILE  QD1          40 GLU  HG-         3.50    (#   1691:20  Unique         2.52, 3.46 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,
 igr2= 587, 588,
 &end
#
# 40 GLU  HN            3 ILE  QD1         4.50    (#   1106:20  Unique         3.56, 4.47 A)
 &rst
  ixpk= 1106, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  44,  45,  46,
 &end
#
# 3 ILE  QD1          43 ASP  HB+         3.50    (#   1962:20  Unique         2.32, 3.80 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,
 igr2= 633, 634,
 &end
#
# 3 ILE  QD1          43 ASP  HB-         3.50    (#   1961:20  Unique         2.32, 3.80 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  44,  45,  46,
 igr2= 633, 634,
 &end
#
# 43 ASP  HN            3 ILE  QD1         4.50    (#   1104:20  Unique         3.72, 5.01 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  44,  45,  46,
 &end
#
# 52 ILE  HB            3 ILE  QD1         3.50    (#   1117:20  Unique         3.59, 4.38 A)
 &rst
  ixpk= 1117, nxpk= 20, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  44,  45,  46,
 &end
#
# 4 VAL  HA            3 ILE  QG2         4.50    (#   1138:20  Unique         3.85, 5.03 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  37,  38,  39,
 &end
#
# 3 ILE  QG2           4 VAL  HN          2.80    (#     96:10  Unique         2.36, 3.17 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
# 3 ILE  QG2           5 LYS  HN          5.50    (#   1436:10  Unique         5.05, 6.29 A)
 &rst
  ixpk= 1436, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  37,  38,  39,
 &end
#
# 53 VAL  HA            3 ILE  QG2         4.50    (#   1135:20  Unique         3.85, 4.67 A)
 &rst
  ixpk= 1135, nxpk= 20, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  37,  38,  39,
 &end
#
# 3 ILE  QG2          54 LYS  HB+         4.50    (#   1729:20  Unique         3.01, 4.60 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  37,  38,  39,
 igr2= 811, 812,
 &end
#
# 54 LYS  HD+           3 ILE  QG2         3.50    (#   1143:20  Unique         2.24, 4.49 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 817, 818,
 igr2=  37,  38,  39,
 &end
#
# 54 LYS  HD-           3 ILE  QG2         3.50    (#   1144:20  Unique         2.24, 4.49 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 817, 818,
 igr2=  37,  38,  39,
 &end
#
# 54 LYS  HE+           3 ILE  QG2         3.50    (#   1139:20  Unique         2.67, 4.07 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 820, 821,
 igr2=  37,  38,  39,
 &end
#
# 3 ILE  QG2          54 LYS  HG-         3.50    (#   1584:20  Unique         2.30, 3.52 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  37,  38,  39,
 igr2= 814, 815,
 &end
#
# 3 ILE  QG2          54 LYS  HN          3.50    (#    247:10  Unique         3.27, 4.30 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  37,  38,  39,
 &end
#
# 31 PRO  HD+          30 GLY  HA+         3.50    (#   2038:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 439, 440,
 igr2= 433, 434,
 &end
#
# 33 LYS  HD+          30 GLY  HA+         5.50    (#   2034:20  Unique         3.37, 5.24 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 473, 474,
 igr2= 433, 434,
 &end
#
# 33 LYS  HE+          30 GLY  HA+         5.50    (#   2036:20  Unique         2.25, 4.87 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477,
 igr2= 433, 434,
 &end
#
# 33 LYS  HN           30 GLY  HA+         5.50    (#   2047:20  Unique         3.34, 4.39 A)
 &rst
  ixpk= 2047, nxpk= 20, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 433, 434,
 &end
#
# 31 PRO  HD+          30 GLY  HA-         3.50    (#   2039:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 439, 440,
 igr2= 433, 434,
 &end
#
# 33 LYS  HB+          30 GLY  HA-         4.50    (#   2031:20  Unique         3.04, 5.28 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 467, 468,
 igr2= 433, 434,
 &end
#
# 33 LYS  HD+          30 GLY  HA-         4.50    (#   2030:20  Unique         3.37, 5.24 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 473, 474,
 igr2= 433, 434,
 &end
#
# 33 LYS  HE+          30 GLY  HA-         4.50    (#   2037:20  Unique         2.25, 4.87 A)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 433, 434,
 &end
#
# 30 GLY  HA-          33 LYS  HN          4.50    (#    428:10  Unique         3.34, 4.39 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 433, 434,
 &end
#
# 31 PRO  HA           31 PRO  HB+         3.50    (#   2890:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 2890, nxpk= 20, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 445, 446,
 &end
#
# 31 PRO  HB-          31 PRO  HA          3.50    (#   2226:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
# 31 PRO  HA           31 PRO  HD+         3.50    (#    393:20  Unique         3.28, 3.69 A)
 &rst
  ixpk= 393, nxpk= 20, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 439, 440,
 &end
#
# 31 PRO  HA           31 PRO  HG+         4.50    (#   3169:20  Unique         2.77, 3.44 A)
 &rst
  ixpk= 3169, nxpk= 20, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
# 31 PRO  HA           33 LYS  HN          5.50    (#   1397:10  Unique         3.55, 3.93 A)
 &rst
  ixpk= 1397, nxpk= 10, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 PRO  HA           34 MET  HB-         3.50    (#   2889:20  Unique         2.98, 4.14 A)
 &rst
  ixpk= 2889, nxpk= 20, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
# 34 MET  HN           31 PRO  HA          3.50    (#   2223:20  Unique         2.92, 3.31 A)
 &rst
  ixpk= 2223, nxpk= 20, iat= 485, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 ILE  HN           31 PRO  HA          5.50    (#   2222:20  Unique         4.12, 4.27 A)
 &rst
  ixpk= 2222, nxpk= 20, iat= 502, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 PRO  HA           90 PHE  HB+         5.50    (#    706:20  Unique         3.62, 4.91 A)
 &rst
  ixpk= 706, nxpk= 20, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1349,1350,
 &end
#
# 90 PHE  HB-          31 PRO  HA          5.50    (#   2225:20  Unique         3.62, 4.91 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1349,1350,
 &end
#
# 31 PRO  HB+          31 PRO  HG+         3.50    (#   3171:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 445, 446,
 igr2= 442, 443,
 &end
#
# 31 PRO  HB+          73 PRO  HD+         3.50    (#    396:20  Unique         2.17, 3.58 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 445, 446,
 igr2=1094,1095,
 &end
#
# 31 PRO  HB+          73 PRO  HD-         3.50    (#    398:20  Unique         2.17, 3.58 A)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 445, 446,
 igr2=1094,1095,
 &end
#
# 31 PRO  HB+          90 PHE  HB+         5.50    (#    712:20  Unique         2.23, 3.54 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 445, 446,
 igr2=1349,1350,
 &end
#
# 90 PHE  HB-          31 PRO  HB+         4.50    (#   2896:20  Unique         2.23, 3.54 A)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1349,1350,
 igr2= 445, 446,
 &end
#
# 31 PRO  HB-          31 PRO  HD+         4.50    (#    390:20  Unique         2.85, 3.69 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 445, 446,
 igr2= 439, 440,
 &end
#
# 73 PRO  HD+          31 PRO  HB-         4.50    (#   1976:20  Unique         2.17, 3.58 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1094,1095,
 igr2= 445, 446,
 &end
#
# 73 PRO  HD-          31 PRO  HB-         4.50    (#   1978:20  Unique         2.17, 3.58 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1094,1095,
 igr2= 445, 446,
 &end
#
# 31 PRO  HB-          73 PRO  HG+         5.50    (#   1545:20  Unique         2.33, 3.43 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 445, 446,
 igr2=1097,1098,
 &end
#
# 90 PHE  HB+          31 PRO  HB-         4.50    (#   1980:20  Unique         2.23, 3.54 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1349,1350,
 igr2= 445, 446,
 &end
#
# 90 PHE  HB-          31 PRO  HB-         4.50    (#   1979:20  Unique         2.23, 3.54 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1349,1350,
 igr2= 445, 446,
 &end
#
# 31 PRO  HB-          90 PHE  HN          5.50    (#    714:10  Unique         3.45, 4.27 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
# 31 PRO  HD+          31 PRO  HG+         3.50    (#   3170:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 3170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 439, 440,
 igr2= 442, 443,
 &end
#
# 31 PRO  HG-          31 PRO  HD+         3.50    (#    389:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 442, 443,
 igr2= 439, 440,
 &end
#
# 32 CYS  HB+          32 CYS  HA          3.50    (#   2241:20  Unique         2.41, 2.96 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HB-          32 CYS  HA          3.50    (#   2244:20  Unique         2.45, 2.49 A)
 &rst
  ixpk= 2244, nxpk= 20, iat= 457, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HA           32 CYS  HN          4.50    (#    998:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 998, nxpk= 10, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 CYS  HA           33 LYS  HN          4.50    (#   1399:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 1399, nxpk= 10, iat= 454, 463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  HB           32 CYS  HA          4.50    (#   2248:20  Unique         2.66, 2.87 A)
 &rst
  ixpk= 2248, nxpk= 20, iat= 506, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  HN           32 CYS  HA          4.50    (#   2237:20  Unique         2.75, 2.99 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 502, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 CYS  HA           35 ILE  QG2         3.50    (#   2355:20  Unique         2.13, 2.82 A)
 &rst
  ixpk= 2355, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
# 36 ALA  HN           32 CYS  HA          5.50    (#   2239:20  Unique         3.78, 3.89 A)
 &rst
  ixpk= 2239, nxpk= 20, iat= 521, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 PRO  HB+          32 CYS  HA          4.50    (#   2247:20  Unique         2.63, 3.74 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1100,1101,
 &end
#
# 73 PRO  HB-          32 CYS  HA          4.50    (#   2246:20  Unique         2.63, 3.74 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1100,1101,
 &end
#
# 73 PRO  HD+          32 CYS  HA          5.50    (#   2243:20  Unique         3.78, 4.95 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
# 73 PRO  HD-          32 CYS  HA          5.50    (#   2242:20  Unique         3.78, 4.95 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
# 73 PRO  HG+          32 CYS  HA          4.50    (#   2249:20  Unique         2.84, 3.81 A)
 &rst
  ixpk= 2249, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1097,1098,
 &end
#
# 32 CYS  HB+          32 CYS  HN          3.50    (#    999:10  Unique         2.45, 2.69 A)
 &rst
  ixpk= 999, nxpk= 10, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HB+          33 LYS  HN          3.50    (#    429:10  Unique         2.82, 3.13 A)
 &rst
  ixpk= 429, nxpk= 10, iat= 456, 463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 32 CYS  HB-          32 CYS  HN          4.50    (#   1498:10  Unique         2.50, 3.47 A)
 &rst
  ixpk= 1498, nxpk= 10, iat= 457, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 CYS  HB-          33 LYS  HN          4.50    (#    430:10  Unique         3.68, 3.91 A)
 &rst
  ixpk= 430, nxpk= 10, iat= 457, 463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  QG2          32 CYS  HB-         5.50    (#    755:20  Unique         3.05, 4.13 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 509, 510,
 &end
#
# 33 LYS  HA           33 LYS  HB+         3.50    (#   2830:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2830, nxpk= 20, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 467, 468,
 &end
#
# 33 LYS  HA           33 LYS  HB-         3.50    (#   2831:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2831, nxpk= 20, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 467, 468,
 &end
#
# 33 LYS  HD+          33 LYS  HA          4.50    (#    278:20  Unique         3.50, 4.17 A)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 474,
 &end
#
# 33 LYS  HA           33 LYS  HG+         3.50    (#   1560:20  Unique         2.16, 2.75 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 470, 471,
 &end
#
# 33 LYS  HG-          33 LYS  HA          3.50    (#    277:20  Unique         2.16, 2.75 A)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 470, 471,
 &end
#
# 33 LYS  HA           33 LYS  HN          3.50    (#    427:10  Unique         2.82, 2.86 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 465, 463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 33 LYS  HA           34 MET  HN          4.50    (#    893:10  Unique         3.47, 3.52 A)
 &rst
  ixpk= 893, nxpk= 10, iat= 465, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  HN           33 LYS  HA          5.50    (#    272:20  Unique         4.67, 4.73 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 502, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 LYS  HA           36 ALA  HN          4.50    (#    237:10  Unique         3.62, 3.83 A)
 &rst
  ixpk= 237, nxpk= 10, iat= 465, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 33 LYS  HA           36 ALA  MB          3.50    (#   2330:20  Unique         2.84, 3.92 A)
 &rst
  ixpk= 2330, nxpk= 20, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 525, 526, 527,
 &end
#
# 37 PRO  HD-          33 LYS  HA          5.50    (#    275:20  Unique         3.90, 4.43 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 532, 533,
 &end
#
# 33 LYS  HE+          33 LYS  HB+         5.50    (#   2834:20  Unique         2.29, 4.41 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477,
 igr2= 467, 468,
 &end
#
# 33 LYS  HG+          33 LYS  HB+         3.50    (#   2836:20  Unique         2.25, 2.77 A)
 &rst
  ixpk= 2836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 470, 471,
 igr2= 467, 468,
 &end
#
# 33 LYS  HB+          33 LYS  HN          2.80    (#    432:10  Unique         2.18, 3.02 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 467, 468,
 &end
#
# 34 MET  HN           33 LYS  HB+         4.50    (#   2829:20  Unique         2.95, 3.45 A)
 &rst
  ixpk= 2829, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 467, 468,
 &end
#
# 33 LYS  HE+          33 LYS  HB-         5.50    (#   2833:20  Unique         2.29, 4.41 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477,
 igr2= 467, 468,
 &end
#
# 33 LYS  HG+          33 LYS  HB-         3.50    (#   2835:20  Unique         2.25, 2.77 A)
 &rst
  ixpk= 2835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 470, 471,
 igr2= 467, 468,
 &end
#
# 33 LYS  HB-          33 LYS  HG-         3.50    (#   2712:20  Unique         2.25, 2.77 A)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 467, 468,
 igr2= 470, 471,
 &end
#
# 33 LYS  HB-          33 LYS  HN          2.80    (#    431:10  Unique         2.18, 3.02 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 467, 468,
 &end
#
# 33 LYS  HB-          34 MET  HN          3.50    (#    896:10  Unique         2.95, 3.45 A)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 467, 468,
 &end
#
# 33 LYS  HD+          33 LYS  HN          5.50    (#   1403:10  Unique         1.81, 4.39 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 474,
 &end
#
# 33 LYS  HN           33 LYS  HD-         5.50    (#   3045:20  Unique         1.81, 4.39 A)
 &rst
  ixpk= 3045, nxpk= 20, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 473, 474,
 &end
#
# 33 LYS  HG+          33 LYS  HN          2.80    (#    433:10  Unique         2.16, 2.78 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 470, 471,
 &end
#
# 33 LYS  HG+          34 MET  HN          5.50    (#   1459:10  Unique         4.40, 4.76 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 470, 471,
 &end
#
# 33 LYS  HG-          36 ALA  HN          5.50    (#   1370:10  Unique         5.75, 6.27 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 470, 471,
 &end
#
# 34 MET  HG+          33 LYS  HN          5.50    (#   1401:10  Unique         4.27, 5.20 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 492, 493,
 &end
#
# 33 LYS  HN           34 MET  HN          2.80    (#    889:10  Unique         2.61, 2.68 A)
 &rst
  ixpk= 889, nxpk= 10, iat= 463, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  HN           33 LYS  HN          4.50    (#    426:10  Unique         4.06, 4.14 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 502, 463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 34 MET  HA           34 MET  HB+         3.50    (#   2888:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 2888, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
# 34 MET  HA           34 MET  HB-         3.50    (#   2887:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 2887, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
# 34 MET  HA           34 MET  HG+         3.50    (#   2862:20  Unique         2.45, 2.98 A)
 &rst
  ixpk= 2862, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
# 34 MET  HA           34 MET  HG-         3.50    (#   2863:20  Unique         2.45, 2.98 A)
 &rst
  ixpk= 2863, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 492, 493,
 &end
#
# 34 MET  HN           34 MET  HA          3.50    (#   2123:20  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 ILE  HN           34 MET  HA          4.50    (#   2122:20  Unique         3.63, 3.64 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 502, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 34 MET  HA           37 PRO  HD+         4.50    (#    338:20  Unique         2.60, 3.46 A)
 &rst
  ixpk= 338, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 532, 533,
 &end
#
# 37 PRO  HD-          34 MET  HA          4.50    (#   2112:20  Unique         2.60, 3.46 A)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 532, 533,
 &end
#
# 34 MET  HB+          34 MET  HN          2.80    (#    888:10  Unique         2.45, 3.08 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 489, 490,
 &end
#
# 34 MET  HB+          35 ILE  HN          4.50    (#    857:10  Unique         2.55, 3.22 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
# 90 PHE  HD           34 MET  HB+         5.50    (#   2892:20  Unique         2.78, 4.83 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1361,
 igr2= 489, 490,
 &end
#
# 34 MET  HN           34 MET  HB-         3.50    (#   2894:20  Unique         2.45, 3.08 A)
 &rst
  ixpk= 2894, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
# 90 PHE  HD           34 MET  HB-         5.50    (#   2891:20  Unique         2.78, 4.83 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1361,
 igr2= 489, 490,
 &end
#
# 34 MET  HG+          34 MET  HN          3.50    (#    894:10  Unique         2.31, 3.09 A)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 492, 493,
 &end
#
# 34 MET  HG-          34 MET  HN          3.50    (#    895:10  Unique         2.31, 3.09 A)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 492, 493,
 &end
#
# 34 MET  HG-          36 ALA  HN          5.50    (#    250:10  Unique         5.81, 6.17 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 492, 493,
 &end
#
# 35 ILE  HN           34 MET  HN          2.80    (#    890:10  Unique         2.34, 2.40 A)
 &rst
  ixpk= 890, nxpk= 10, iat= 502, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  QG2          34 MET  HN          5.50    (#   1461:10  Unique         4.62, 5.62 A)
 &rst
  ixpk= 1461, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 509, 510,
 &end
#
# 34 MET  HN           36 ALA  HN          5.50    (#    241:10  Unique         3.63, 3.79 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 485, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 ILE  HB           35 ILE  HA          3.50    (#   2191:20  Unique         2.64, 2.66 A)
 &rst
  ixpk= 2191, nxpk= 20, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 ILE  HA           35 ILE  HG1+        3.50    (#   3010:20  Unique         2.20, 2.77 A)
 &rst
  ixpk= 3010, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
# 35 ILE  HA           35 ILE  HG1-        3.50    (#   3011:20  Unique         2.20, 2.77 A)
 &rst
  ixpk= 3011, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 512, 513,
 &end
#
# 35 ILE  HA           35 ILE  HN          3.50    (#    860:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 860, nxpk= 10, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 ILE  HA           35 ILE  QD1         4.50    (#   2342:20  Unique         2.10, 3.78 A)
 &rst
  ixpk= 2342, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  HA           35 ILE  QG2         4.50    (#   2357:20  Unique         3.65, 3.91 A)
 &rst
  ixpk= 2357, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 508, 509, 510,
 &end
#
# 36 ALA  HN           35 ILE  HA          3.50    (#   2187:20  Unique         3.43, 3.45 A)
 &rst
  ixpk= 2187, nxpk= 20, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 36 ALA  MB           35 ILE  HA          5.50    (#   2195:20  Unique         5.71, 6.08 A)
 &rst
  ixpk= 2195, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 525, 526, 527,
 &end
#
# 35 ILE  HA           38 VAL  HB          3.50    (#   2859:20  Unique         2.05, 2.15 A)
 &rst
  ixpk= 2859, nxpk= 20, iat= 504, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 38 VAL  HN           35 ILE  HA          4.50    (#   2184:20  Unique         2.90, 3.03 A)
 &rst
  ixpk= 2184, nxpk= 20, iat= 545, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 38 VAL  MGY          35 ILE  HA          3.50    (#   2194:20  Unique         2.55, 3.88 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 90 PHE  HD           35 ILE  HA          4.50    (#   2183:20  Unique         3.23, 5.16 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1353,1361,
 &end
#
# 90 PHE  HE           35 ILE  HA          4.50    (#   2185:20  Unique         2.53, 4.62 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1355,1359,
 &end
#
# 35 ILE  HB           35 ILE  HG1+        2.80    (#   3039:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 3039, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 512, 513,
 &end
#
# 35 ILE  HB           35 ILE  HG1-        2.80    (#   3040:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 3040, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 512, 513,
 &end
#
# 35 ILE  HB           35 ILE  HN          2.80    (#    862:10  Unique         2.13, 2.20 A)
 &rst
  ixpk= 862, nxpk= 10, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  HB           35 ILE  QD1         3.50    (#   2348:20  Unique         2.45, 3.15 A)
 &rst
  ixpk= 2348, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  HB           35 ILE  QG2         3.50    (#   2382:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2382, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
# 36 ALA  HN           35 ILE  HB          4.50    (#   1805:20  Unique         3.82, 3.89 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 521, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35 ILE  HB           90 PHE  HA          4.50    (#    164:20  Unique         3.44, 3.80 A)
 &rst
  ixpk= 164, nxpk= 20, iat= 506,1347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 90 PHE  HD           35 ILE  HB          3.50    (#   1804:20  Unique         2.35, 4.62 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1353,1361,
 &end
#
# 35 ILE  HN           35 ILE  HG1+        4.50    (#   3034:20  Unique         3.95, 4.43 A)
 &rst
  ixpk= 3034, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 512, 513,
 &end
#
# 35 ILE  HG1+         35 ILE  QD1         3.50    (#   2351:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 512, 513,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  QG2          35 ILE  HG1+        3.50    (#   3041:20  Unique         2.43, 3.34 A)
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 508, 509, 510,
 igr2= 512, 513,
 &end
#
# 38 VAL  HB           35 ILE  HG1+        4.50    (#   3038:20  Unique         2.76, 3.46 A)
 &rst
  ixpk= 3038, nxpk= 20, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 512, 513,
 &end
#
# 35 ILE  HG1+         38 VAL  HN          5.50    (#   1464:10  Unique         4.73, 5.26 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
# 35 ILE  HG1+         38 VAL  MGY         3.50    (#   1303:20  Unique         3.24, 5.02 A)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 512, 513,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 35 ILE  HG1+         90 PHE  HA          5.50    (#    167:20  Unique         3.06, 4.20 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
# 90 PHE  HD           35 ILE  HG1+        5.50    (#   3035:20  Unique         2.88, 5.64 A)
 &rst
  ixpk= 3035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1361,
 igr2= 512, 513,
 &end
#
# 91 LYS  HN           35 ILE  HG1+        5.50    (#   3037:20  Unique         2.64, 4.06 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 512, 513,
 &end
#
# 35 ILE  HG1-         35 ILE  HN          4.50    (#    863:10  Unique         3.95, 4.43 A)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
# 35 ILE  HG1-         35 ILE  QD1         3.50    (#   2350:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 512, 513,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  QG2          35 ILE  HG1-        3.50    (#   3043:20  Unique         2.43, 3.34 A)
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 508, 509, 510,
 igr2= 512, 513,
 &end
#
# 35 ILE  HG1-         36 ALA  HN          5.50    (#   1372:10  Unique         4.77, 5.09 A)
 &rst
  ixpk= 1372, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
# 35 ILE  HG1-         38 VAL  HB          4.50    (#   2857:20  Unique         2.76, 3.46 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
# 35 ILE  HG1-         38 VAL  MGY         3.50    (#   1299:20  Unique         3.24, 5.02 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 512, 513,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 35 ILE  HG1-         90 PHE  HA          4.50    (#    166:20  Unique         3.06, 4.20 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 512, 513,
 &end
#
# 90 PHE  HD           35 ILE  HG1-        5.50    (#   3012:20  Unique         2.88, 5.64 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1353,1361,
 igr2= 512, 513,
 &end
#
# 91 LYS  HN           35 ILE  HG1-        4.50    (#   3036:20  Unique         2.64, 4.06 A)
 &rst
  ixpk= 3036, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 512, 513,
 &end
#
# 35 ILE  HN           35 ILE  QD1         5.50    (#   2338:20  Unique         4.05, 5.00 A)
 &rst
  ixpk= 2338, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  QG2          35 ILE  HN          2.80    (#    864:10  Unique         2.94, 3.68 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 508, 509, 510,
 &end
#
# 36 ALA  HN           35 ILE  HN          2.80    (#    858:10  Unique         2.63, 2.69 A)
 &rst
  ixpk= 858, nxpk= 10, iat= 521, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35 ILE  HN           36 ALA  MB          4.50    (#   2336:20  Unique         4.87, 5.47 A)
 &rst
  ixpk= 2336, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 525, 526, 527,
 &end
#
# 35 ILE  HN           37 PRO  HD+         5.50    (#    336:20  Unique         4.06, 4.98 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 532, 533,
 &end
#
# 90 PHE  HD           35 ILE  HN          4.50    (#    859:10  Unique         2.84, 5.15 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1353,1361,
 &end
#
# 38 VAL  HB           35 ILE  QD1         5.50    (#   2347:20  Unique         2.50, 4.55 A)
 &rst
  ixpk= 2347, nxpk= 20, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 515, 516, 517,
 &end
#
# 73 PRO  HB+          35 ILE  QD1         4.50    (#   2349:20  Unique         2.44, 4.20 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1100,1101,
 igr2= 515, 516, 517,
 &end
#
# 73 PRO  HB-          35 ILE  QD1         4.50    (#   2346:20  Unique         2.44, 4.20 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1100,1101,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  QD1          73 PRO  HG+         4.50    (#   1547:20  Unique         2.71, 4.43 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 515, 516, 517,
 igr2=1097,1098,
 &end
#
# 90 PHE  HA           35 ILE  QD1         3.50    (#   2344:20  Unique         2.16, 3.10 A)
 &rst
  ixpk= 2344, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  QD1          90 PHE  HB+         5.50    (#    714:20  Unique         3.56, 5.35 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 515, 516, 517,
 igr2=1349,1350,
 &end
#
# 35 ILE  QD1          90 PHE  HB-         5.50    (#    713:20  Unique         3.56, 5.35 A)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 515, 516, 517,
 igr2=1349,1350,
 &end
#
# 90 PHE  HD           35 ILE  QD1         4.50    (#   2340:20  Unique         2.31, 5.09 A)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1353,1361,
 igr2= 515, 516, 517,
 &end
#
# 90 PHE  HN           35 ILE  QD1         5.50    (#   2337:20  Unique         4.43, 5.71 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=1345,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 515, 516, 517,
 &end
#
# 91 LYS  HB-          35 ILE  QD1         4.50    (#   2352:20  Unique         2.96, 4.89 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1369,1370,
 igr2= 515, 516, 517,
 &end
#
# 35 ILE  QD1          91 LYS  HN          3.50    (#    124:10  Unique         2.18, 3.19 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 515, 516, 517,
 &end
#
# 96 LEU  MDX          35 ILE  QD1         3.50    (#   2353:20  Unique         2.34, 5.77 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1457,1458,1459,1461,1462,1463,
 igr2= 515, 516, 517,
 &end
#
# 36 ALA  HA           35 ILE  QG2         4.50    (#   2354:20  Unique         3.54, 4.27 A)
 &rst
  ixpk= 2354, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 508, 509, 510,
 &end
#
# 35 ILE  QG2          36 ALA  HN          3.50    (#    240:10  Unique         2.63, 3.57 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 508, 509, 510,
 &end
#
# 36 ALA  MB           35 ILE  QG2         4.50    (#   2379:20  Unique         3.71, 5.47 A)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 525, 526, 527,
 igr2= 508, 509, 510,
 &end
#
# 37 PRO  HD-          35 ILE  QG2         5.50    (#   2356:20  Unique         5.01, 6.60 A)
 &rst
  ixpk= 2356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 532, 533,
 igr2= 508, 509, 510,
 &end
#
# 35 ILE  QG2          38 VAL  HB          4.50    (#   2852:20  Unique         4.56, 5.30 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 508, 509, 510,
 &end
#
# 35 ILE  QG2          38 VAL  HN          5.50    (#   1463:10  Unique         5.41, 5.92 A)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 509, 510,
 &end
#
# 35 ILE  QG2          39 LEU  HN          5.50    (#   1465:10  Unique         4.57, 5.47 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 509, 510,
 &end
#
# 35 ILE  QG2          73 PRO  HB+         3.50    (#   1769:20  Unique         2.24, 3.74 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 508, 509, 510,
 igr2=1100,1101,
 &end
#
# 73 PRO  HB-          35 ILE  QG2         4.50    (#   2377:20  Unique         2.24, 3.74 A)
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1100,1101,
 igr2= 508, 509, 510,
 &end
#
# 35 ILE  QG2          73 PRO  HG+         4.50    (#   1546:20  Unique         3.10, 4.74 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 508, 509, 510,
 igr2=1097,1098,
 &end
#
# 90 PHE  HD           35 ILE  QG2         4.50    (#   2360:20  Unique         4.55, 7.11 A)
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1353,1361,
 igr2= 508, 509, 510,
 &end
#
# 36 ALA  MB           36 ALA  HA          2.80    (#    222:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 525, 526, 527,
 &end
#
# 37 PRO  HD-          36 ALA  HA          4.50    (#    221:20  Unique         3.94, 4.15 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 532, 533,
 &end
#
# 38 VAL  HN           36 ALA  HA          5.50    (#    218:20  Unique         4.27, 4.30 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 545, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 ALA  HA           39 LEU  MDY         3.50    (#   2587:20  Unique         2.34, 4.79 A)
 &rst
  ixpk= 2587, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
# 36 ALA  MB           36 ALA  HN          2.80    (#    239:10  Unique         2.49, 2.94 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 525, 526, 527,
 &end
#
# 36 ALA  HN           37 PRO  HD+         3.50    (#    335:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 532, 533,
 &end
#
# 37 PRO  HD-          36 ALA  HN          3.50    (#    238:10  Unique         2.40, 3.15 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 532, 533,
 &end
#
# 38 VAL  HN           36 ALA  HN          4.50    (#   1366:10  Unique         3.82, 3.86 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 545, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 36 ALA  HN           38 VAL  MGY         5.50    (#   1311:20  Unique         5.03, 6.68 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 90 PHE  HD           36 ALA  HN          5.50    (#   1367:10  Unique         5.31, 7.59 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1353,1361,
 &end
#
# 36 ALA  MB           37 PRO  HA          5.50    (#   2213:20  Unique         4.59, 5.11 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 525, 526, 527,
 &end
#
# 36 ALA  MB           37 PRO  HD+         3.50    (#    343:20  Unique         2.29, 3.24 A)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 525, 526, 527,
 igr2= 532, 533,
 &end
#
# 37 PRO  HD-          36 ALA  MB          2.80    (#   2328:20  Unique         2.29, 3.24 A)
 &rst
  ixpk= 2328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 532, 533,
 igr2= 525, 526, 527,
 &end
#
# 39 LEU  MDY          36 ALA  MB          4.50    (#   2323:20  Unique         4.21, 7.18 A)
 &rst
  ixpk= 2323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 525, 526, 527,
 &end
#
# 37 PRO  HA           37 PRO  HB+         3.50    (#   1487:20  Unique         2.22, 2.52 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 538, 539,
 &end
#
# 37 PRO  HA           37 PRO  HB-         2.80    (#   3138:20  Unique         2.22, 2.52 A)
 &rst
  ixpk= 3138, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 538, 539,
 &end
#
# 37 PRO  HD-          37 PRO  HA          3.50    (#   2210:20  Unique         3.27, 3.67 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 532, 533,
 &end
#
# 40 GLU  HB+          37 PRO  HA          2.80    (#   2212:20  Unique         2.22, 3.16 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 584, 585,
 &end
#
# 37 PRO  HA           40 GLU  HN          3.50    (#    825:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 825, nxpk= 10, iat= 541, 580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 37 PRO  HA           41 GLU  HN          4.50    (#    527:10  Unique         3.80, 3.88 A)
 &rst
  ixpk= 527, nxpk= 10, iat= 541, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 37 PRO  HD+          37 PRO  HB+         3.50    (#   3140:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 532, 533,
 igr2= 538, 539,
 &end
#
# 37 PRO  HD-          37 PRO  HB+         4.50    (#   1489:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 532, 533,
 igr2= 538, 539,
 &end
#
# 38 VAL  HA           37 PRO  HB+         5.50    (#   3142:20  Unique         4.27, 5.01 A)
 &rst
  ixpk= 3142, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 538, 539,
 &end
#
# 38 VAL  HN           37 PRO  HB+         4.50    (#   1488:20  Unique         3.50, 4.04 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
# 38 VAL  MGY          37 PRO  HB+         4.50    (#   3144:20  Unique         4.47, 6.97 A)
 &rst
  ixpk= 3144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2= 538, 539,
 &end
#
# 37 PRO  HD+          37 PRO  HB-         3.50    (#   3141:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 3141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 532, 533,
 igr2= 538, 539,
 &end
#
# 37 PRO  HD-          37 PRO  HB-         4.50    (#   3139:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 532, 533,
 igr2= 538, 539,
 &end
#
# 37 PRO  HG+          37 PRO  HB-         2.80    (#   3145:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 3145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
# 38 VAL  HA           37 PRO  HB-         4.50    (#   3143:20  Unique         4.27, 5.01 A)
 &rst
  ixpk= 3143, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
# 38 VAL  HN           37 PRO  HB-         4.50    (#   3137:20  Unique         3.50, 4.04 A)
 &rst
  ixpk= 3137, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
# 37 PRO  HG+          37 PRO  HD+         3.50    (#    340:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 536,
 igr2= 532, 533,
 &end
#
# 38 VAL  HN           37 PRO  HD+         4.50    (#    334:20  Unique         3.12, 3.77 A)
 &rst
  ixpk= 334, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 532, 533,
 &end
#
# 38 VAL  MGY          37 PRO  HD+         4.50    (#    344:20  Unique         4.61, 7.29 A)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2= 532, 533,
 &end
#
# 37 PRO  HG+          37 PRO  HD-         2.80    (#    352:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 535, 536,
 igr2= 532, 533,
 &end
#
# 38 VAL  HN           37 PRO  HD-         4.50    (#    348:20  Unique         3.12, 3.77 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 532, 533,
 &end
#
# 37 PRO  HD-          38 VAL  MGY         5.50    (#   1304:20  Unique         4.61, 7.29 A)
 &rst
  ixpk= 1304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 532, 533,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 37 PRO  HG+          38 VAL  HN          3.50    (#    588:10  Unique         2.82, 3.76 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 535, 536,
 &end
#
# 38 VAL  HA           38 VAL  HB          3.50    (#   2858:20  Unique         3.02, 3.04 A)
 &rst
  ixpk= 2858, nxpk= 20, iat= 547, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 38 VAL  HA           38 VAL  HN          2.80    (#    585:10  Unique         2.87, 2.87 A)
 &rst
  ixpk= 585, nxpk= 10, iat= 547, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  MGX          38 VAL  HA          2.80    (#     61:20  Unique         2.46, 3.15 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  HA           38 VAL  MGY         2.80    (#   1305:20  Unique         2.46, 3.15 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 40 GLU  HN           38 VAL  HA          5.50    (#     58:20  Unique         4.37, 4.44 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 580, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 VAL  HA           41 GLU  HB+         4.50    (#   3151:20  Unique         2.67, 3.60 A)
 &rst
  ixpk= 3151, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 599, 600,
 &end
#
# 38 VAL  HA           41 GLU  HB-         3.50    (#   3152:20  Unique         2.67, 3.60 A)
 &rst
  ixpk= 3152, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 599, 600,
 &end
#
# 38 VAL  HA           41 GLU  HG+         4.50    (#   1705:20  Unique         3.55, 3.96 A)
 &rst
  ixpk= 1705, nxpk= 20, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 602, 603,
 &end
#
# 38 VAL  HA           41 GLU  HN          3.50    (#    530:10  Unique         3.31, 3.45 A)
 &rst
  ixpk= 530, nxpk= 10, iat= 547, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 42 LEU  HN           38 VAL  HA          5.50    (#     57:20  Unique         4.15, 4.25 A)
 &rst
  ixpk= 57, nxpk= 20, iat= 610, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93 LYS  HA           38 VAL  HA          5.50    (#     70:20  Unique         4.39, 4.54 A)
 &rst
  ixpk= 70, nxpk= 20, iat=1403, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 VAL  HB           38 VAL  HN          2.80    (#    586:10  Unique         2.29, 2.50 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 549, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  HB           38 VAL  MGX         4.50    (#   2538:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2538, nxpk= 20, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  HB           38 VAL  MGY         2.80    (#   1296:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  HB           39 LEU  HN          2.80    (#    802:10  Unique         2.69, 2.77 A)
 &rst
  ixpk= 802, nxpk= 10, iat= 549, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  MGX          38 VAL  HN          3.50    (#    590:10  Unique         2.23, 3.88 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGY          38 VAL  HN          2.80    (#    589:10  Unique         2.23, 3.88 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  HN           39 LEU  HN          2.80    (#    799:10  Unique         2.66, 2.69 A)
 &rst
  ixpk= 799, nxpk= 10, iat= 545, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 38 VAL  HN           39 LEU  MDY         5.50    (#   2589:20  Unique         5.13, 6.58 A)
 &rst
  ixpk= 2589, nxpk= 20, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
# 40 GLU  HN           38 VAL  HN          5.50    (#    592:10  Unique         4.06, 4.11 A)
 &rst
  ixpk= 592, nxpk= 10, iat= 580, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 LEU  HN           38 VAL  MGX         4.50    (#   2541:20  Unique         3.41, 4.64 A)
 &rst
  ixpk= 2541, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGX          41 GLU  HB+         5.50    (#   3159:20  Unique         3.75, 5.88 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2= 599, 600,
 &end
#
# 38 VAL  MGX          41 GLU  HB-         5.50    (#   3160:20  Unique         3.75, 5.88 A)
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2= 599, 600,
 &end
#
# 38 VAL  MGX          41 GLU  HN          5.50    (#   1416:10  Unique         5.21, 6.11 A)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGX          42 LEU  HN          4.50    (#    554:10  Unique         4.22, 6.01 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGX          92 PRO  HB+         5.50    (#   1618:20  Unique         5.30, 6.26 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2=1394,1395,
 &end
#
# 38 VAL  MGX          92 PRO  HB-         5.50    (#   1619:20  Unique         5.30, 6.26 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2=1394,1395,
 &end
#
# 93 LYS  HA           38 VAL  MGX         3.50    (#   2537:20  Unique         2.16, 3.99 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGX          93 LYS  HB+         4.50    (#   1621:20  Unique         2.27, 4.60 A)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2=1405,1406,
 &end
#
# 38 VAL  MGX          93 LYS  HB-         4.50    (#   1620:20  Unique         2.27, 4.60 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2=1405,1406,
 &end
#
# 38 VAL  MGX          93 LYS  HN          4.50    (#    510:10  Unique         2.71, 3.95 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGX          96 LEU  HN          5.50    (#   1484:10  Unique         4.81, 6.44 A)
 &rst
  ixpk= 1484, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 39 LEU  HN           38 VAL  MGY         4.50    (#   1312:20  Unique         3.41, 4.64 A)
 &rst
  ixpk= 1312, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 42 LEU  MDX          38 VAL  MGY         4.50    (#   1302:20  Unique         2.51, 6.97 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 90 PHE  HD           38 VAL  MGY         4.50    (#   1309:20  Unique         4.22, 6.56 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1353,1361,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 90 PHE  HE           38 VAL  MGY         3.50    (#   1310:20  Unique         2.36, 5.08 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1355,1359,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGY          92 PRO  HB+         5.50    (#   1616:20  Unique         5.30, 6.26 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2=1394,1395,
 &end
#
# 38 VAL  MGY          92 PRO  HB-         5.50    (#   1615:20  Unique         5.30, 6.26 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 551, 552, 553, 555, 556, 557,
 igr2=1394,1395,
 &end
#
# 93 LYS  HA           38 VAL  MGY         4.50    (#   1295:20  Unique         2.16, 3.99 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 93 LYS  HB-          38 VAL  MGY         3.50    (#   1298:20  Unique         2.27, 4.60 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1405,1406,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 38 VAL  MGY          93 LYS  HN          3.50    (#    503:10  Unique         2.71, 3.95 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 551, 552, 553, 555, 556, 557,
 &end
#
# 96 LEU  MDX          38 VAL  MGY         4.50    (#   1301:20  Unique         2.20, 6.31 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1457,1458,1459,1461,1462,1463,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
# 39 LEU  HA           39 LEU  HB+         3.50    (#   1040:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 1040, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 565, 566,
 &end
#
# 39 LEU  HA           39 LEU  HB-         3.50    (#   1818:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 1818, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 565, 566,
 &end
#
# 39 LEU  HA           39 LEU  HG          4.50    (#   3074:20  Unique         2.62, 2.69 A)
 &rst
  ixpk= 3074, nxpk= 20, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 LEU  HA           39 LEU  HN          2.80    (#    801:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 801, nxpk= 10, iat= 563, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40 GLU  HN           39 LEU  HA          4.50    (#    244:20  Unique         3.58, 3.60 A)
 &rst
  ixpk= 244, nxpk= 20, iat= 580, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 39 LEU  HA           52 ILE  QG2         5.50    (#   1152:20  Unique         4.16, 5.46 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 778, 779, 780,
 &end
#
# 39 LEU  HG           39 LEU  HB+         4.50    (#   1042:20  Unique         2.64, 2.85 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 565, 566,
 &end
#
# 39 LEU  HN           39 LEU  HB+         4.50    (#   1038:20  Unique         2.31, 2.94 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 565, 566,
 &end
#
# 39 LEU  HB+          40 GLU  HN          3.50    (#    831:10  Unique         2.89, 3.35 A)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 565, 566,
 &end
#
# 39 LEU  HB+          52 ILE  QD1         3.50    (#   1134:20  Unique         2.42, 4.17 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 565, 566,
 igr2= 785, 786, 787,
 &end
#
# 39 LEU  HG           39 LEU  HB-         3.50    (#   1817:20  Unique         2.64, 2.85 A)
 &rst
  ixpk= 1817, nxpk= 20, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 565, 566,
 &end
#
# 39 LEU  HB-          39 LEU  HN          2.80    (#    803:10  Unique         2.31, 2.94 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 565, 566,
 &end
#
# 39 LEU  HB-          39 LEU  MDY         3.50    (#   2591:20  Unique         2.31, 3.30 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 565, 566,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
# 39 LEU  HB-          40 GLU  HN          2.80    (#    829:10  Unique         2.89, 3.35 A)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 565, 566,
 &end
#
# 39 LEU  HG           39 LEU  HN          2.80    (#    804:10  Unique         2.40, 2.48 A)
 &rst
  ixpk= 804, nxpk= 10, iat= 568, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 39 LEU  HG           40 GLU  HN          5.50    (#    830:10  Unique         4.63, 4.67 A)
 &rst
  ixpk= 830, nxpk= 10, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 LEU  HN           39 LEU  MDY         4.50    (#   2590:20  Unique         3.33, 4.39 A)
 &rst
  ixpk= 2590, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
# 40 GLU  HN           39 LEU  HN          2.80    (#    798:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 798, nxpk= 10, iat= 580, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 4 VAL  HB            4 VAL  HA          3.50    (#   2162:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  54,  52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 VAL  HA            4 VAL  HN          3.50    (#     95:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  52,  50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 VAL  HA            4 VAL  MGX         3.50    (#   2571:20  Unique         2.43, 3.19 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  MGY           4 VAL  HA          2.80    (#   2166:20  Unique         2.43, 3.19 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  HA            5 LYS  HN          2.80    (#    167:10  Unique         2.50, 2.55 A)
 &rst
  ixpk= 167, 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    (#     99:10  Unique         2.43, 2.52 A)
 &rst
  ixpk= 99, 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    (#   2575:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 2575, 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    (#    168:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 168, 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    (#   1666:20  Unique         2.42, 2.70 A)
 &rst
  ixpk= 1666, nxpk= 20, iat= 793,  54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 4 VAL  HB           53 VAL  MGY         3.50    (#   2497:20  Unique         2.34, 4.35 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
# 4 VAL  HN            4 VAL  MGX         3.50    (#   2581:20  Unique         2.54, 4.10 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  MGY           4 VAL  HN          2.80    (#    101:10  Unique         2.54, 4.10 A)
 &rst
  ixpk= 101, 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    (#     94:10  Unique         2.85, 2.90 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 793,  50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53 VAL  MGY           4 VAL  HN          4.50    (#   1252:10  Unique         4.19, 5.61 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 4 VAL  MGX           5 LYS  HN          2.80    (#    172:10  Unique         2.08, 3.74 A)
 &rst
  ixpk= 172, 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
#
# 51 LYS  HD+           4 VAL  MGX         4.50    (#   2576:20  Unique         2.18, 4.18 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 760, 761,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 51 LYS  HE-           4 VAL  MGX         5.50    (#   2572:20  Unique         4.16, 5.80 A)
 &rst
  ixpk= 2572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 763, 764,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 51 LYS  HG-           4 VAL  MGX         4.50    (#   2577:20  Unique         2.49, 5.33 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 5 LYS  HN            4 VAL  MGY         4.50    (#   1368:20  Unique         2.08, 3.74 A)
 &rst
  ixpk= 1368, 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
#
# 51 LYS  HD+           4 VAL  MGY         3.50    (#   1367:20  Unique         2.18, 4.18 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 760, 761,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 4 VAL  MGY          51 LYS  HE-         3.50    (#   1918:20  Unique         4.16, 5.80 A)
 &rst
  ixpk= 1918, 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= 763, 764,
 &end
#
# 51 LYS  HG-           4 VAL  MGY         3.50    (#   1366:20  Unique         2.49, 5.33 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 757, 758,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 53 VAL  HA            4 VAL  MGY         4.50    (#   1362:20  Unique         3.77, 4.89 A)
 &rst
  ixpk= 1362, nxpk= 20, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
# 40 GLU  HA           40 GLU  HB+         2.80    (#   1468:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 584, 585,
 &end
#
# 40 GLU  HA           40 GLU  HG+         3.50    (#   1971:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 587, 588,
 &end
#
# 40 GLU  HA           40 GLU  HG-         3.50    (#   1972:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 587, 588,
 &end
#
# 40 GLU  HN           40 GLU  HA          3.50    (#    193:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 193, nxpk= 20, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 40 GLU  HA           43 ASP  HB+         3.50    (#   1954:20  Unique         2.25, 2.76 A)
 &rst
  ixpk= 1954, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 633, 634,
 &end
#
# 40 GLU  HA           43 ASP  HB-         3.50    (#   1953:20  Unique         2.25, 2.76 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 633, 634,
 &end
#
# 43 ASP  HN           40 GLU  HA          3.50    (#    194:20  Unique         2.96, 3.07 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 629, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 40 GLU  HB+          40 GLU  HN          2.80    (#    828:10  Unique         2.44, 3.07 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 584, 585,
 &end
#
# 40 GLU  HB+          41 GLU  HN          3.50    (#    533:10  Unique         2.73, 3.22 A)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
# 40 GLU  HB+          43 ASP  HB+         5.50    (#   1956:20  Unique         3.95, 5.24 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 633, 634,
 &end
#
# 40 GLU  HB+          43 ASP  HB-         5.50    (#   1955:20  Unique         3.95, 5.24 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 633, 634,
 &end
#
# 40 GLU  HB+          44 GLN  HE2+        4.50    (#   1090:10  Unique         2.85, 4.63 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 584, 585,
 igr2= 653, 654,
 &end
#
# 40 GLU  HB+          44 GLN  HE2-        5.50    (#   1092:10  Unique         2.85, 4.63 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585,
 igr2= 653, 654,
 &end
#
# 40 GLU  HG-          40 GLU  HN          2.80    (#    827:10  Unique         2.43, 3.02 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 587, 588,
 &end
#
# 40 GLU  HN           41 GLU  HN          2.80    (#    526:10  Unique         2.69, 2.73 A)
 &rst
  ixpk= 526, nxpk= 10, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40 GLU  HN           42 LEU  HN          5.50    (#   1298:10  Unique         4.00, 4.16 A)
 &rst
  ixpk= 1298, nxpk= 10, iat= 580, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLU  HA           41 GLU  HB+         3.50    (#   3154:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 3154, nxpk= 20, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 599, 600,
 &end
#
# 41 GLU  HA           41 GLU  HB-         3.50    (#   3153:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 3153, nxpk= 20, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 599, 600,
 &end
#
# 41 GLU  HA           41 GLU  HG+         4.50    (#   1704:20  Unique         2.19, 3.15 A)
 &rst
  ixpk= 1704, nxpk= 20, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 602, 603,
 &end
#
# 41 GLU  HA           41 GLU  HG-         3.50    (#    830:20  Unique         2.19, 3.15 A)
 &rst
  ixpk= 830, nxpk= 20, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 602, 603,
 &end
#
# 41 GLU  HA           41 GLU  HN          2.80    (#    528:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 528, nxpk= 10, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 41 GLU  HA           42 LEU  HN          4.50    (#    548:10  Unique         3.52, 3.59 A)
 &rst
  ixpk= 548, nxpk= 10, iat= 597, 610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 45 GLU  HN           41 GLU  HA          4.50    (#    248:20  Unique         4.05, 4.16 A)
 &rst
  ixpk= 248, nxpk= 20, iat= 658, 597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 41 GLU  HG+          41 GLU  HB+         3.50    (#   3155:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 602, 603,
 igr2= 599, 600,
 &end
#
# 41 GLU  HN           41 GLU  HB+         3.50    (#   3150:20  Unique         2.24, 3.00 A)
 &rst
  ixpk= 3150, nxpk= 20, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 599, 600,
 &end
#
# 41 GLU  HB+          42 LEU  HN          3.50    (#    551:10  Unique         2.67, 3.14 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 599, 600,
 &end
#
# 93 LYS  HD+          41 GLU  HB+         4.50    (#   3161:20  Unique         2.22, 3.69 A)
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1411,1412,
 igr2= 599, 600,
 &end
#
# 93 LYS  HG+          41 GLU  HB+         4.50    (#   3158:20  Unique         2.21, 3.57 A)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1408,1409,
 igr2= 599, 600,
 &end
#
# 41 GLU  HG+          41 GLU  HB-         3.50    (#   3156:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 602, 603,
 igr2= 599, 600,
 &end
#
# 41 GLU  HB-          41 GLU  HN          2.80    (#    532:10  Unique         2.24, 3.00 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 599, 600,
 &end
#
# 41 GLU  HB-          42 LEU  HN          2.80    (#    550:10  Unique         2.67, 3.14 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 599, 600,
 &end
#
# 93 LYS  HD+          41 GLU  HB-         5.50    (#   3162:20  Unique         2.22, 3.69 A)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,
 igr2= 599, 600,
 &end
#
# 93 LYS  HG+          41 GLU  HB-         5.50    (#   3157:20  Unique         2.21, 3.57 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1408,1409,
 igr2= 599, 600,
 &end
#
# 41 GLU  HG+          41 GLU  HN          2.80    (#    531:10  Unique         2.42, 3.19 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 602, 603,
 &end
#
# 42 LEU  HN           41 GLU  HG+         5.50    (#   1700:20  Unique         4.53, 4.88 A)
 &rst
  ixpk= 1700, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 602, 603,
 &end
#
# 93 LYS  HD+          41 GLU  HG+         4.50    (#   1709:20  Unique         2.55, 4.77 A)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1411,1412,
 igr2= 602, 603,
 &end
#
# 93 LYS  HG+          41 GLU  HG+         5.50    (#   1711:20  Unique         2.94, 5.47 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1408,1409,
 igr2= 602, 603,
 &end
#
# 41 GLU  HG-          41 GLU  HN          2.80    (#   1546:10  Unique         2.42, 3.19 A)
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 602, 603,
 &end
#
# 42 LEU  HN           41 GLU  HN          2.80    (#    524:10  Unique         2.67, 2.77 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42 LEU  HA           42 LEU  HB+         2.80    (#   3015:20  Unique         2.66, 2.89 A)
 &rst
  ixpk= 3015, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 614, 615,
 &end
#
# 42 LEU  HA           42 LEU  HG          4.50    (#   1414:20  Unique         2.22, 3.18 A)
 &rst
  ixpk= 1414, nxpk= 20, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 LEU  HA           42 LEU  HN          2.80    (#    549:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42 LEU  HA           42 LEU  MDY         3.50    (#   2719:20  Unique         2.10, 3.38 A)
 &rst
  ixpk= 2719, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 45 GLU  HB+          42 LEU  HA          2.80    (#    237:20  Unique         2.11, 3.06 A)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 662, 663,
 &end
#
# 42 LEU  HA           45 GLU  HN          3.50    (#    853:10  Unique         2.71, 2.86 A)
 &rst
  ixpk= 853, nxpk= 10, iat= 612, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HG+          42 LEU  HA          4.50    (#    236:20  Unique         3.69, 4.70 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 680, 681,
 &end
#
# 42 LEU  HA           46 MET  HG-         4.50    (#   2877:20  Unique         3.69, 4.70 A)
 &rst
  ixpk= 2877, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 680, 681,
 &end
#
# 42 LEU  HA           46 MET  HN          4.50    (#    990:10  Unique         3.13, 3.30 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 612, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 42 LEU  HB+          42 LEU  HN          2.80    (#    553:10  Unique         1.97, 2.79 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 614, 615,
 &end
#
# 43 ASP  HA           42 LEU  HB+         5.50    (#   3014:20  Unique         4.08, 4.62 A)
 &rst
  ixpk= 3014, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
# 43 ASP  HB+          42 LEU  HB+         4.50    (#   3016:20  Unique         4.75, 5.34 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 633, 634,
 igr2= 614, 615,
 &end
#
# 42 LEU  HB+          43 ASP  HN          2.80    (#    669:10  Unique         3.04, 3.24 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 614, 615,
 &end
#
# 46 MET  HN           42 LEU  HB+         5.50    (#   3022:20  Unique         4.01, 4.99 A)
 &rst
  ixpk= 3022, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
# 42 LEU  HB+          52 ILE  QD1         3.50    (#   1132:20  Unique         2.21, 3.36 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 614, 615,
 igr2= 785, 786, 787,
 &end
#
# 42 LEU  HN           42 LEU  HG          4.50    (#   1415:20  Unique         3.82, 4.03 A)
 &rst
  ixpk= 1415, nxpk= 20, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 46 MET  HG-          42 LEU  HG          5.50    (#   1416:20  Unique         3.17, 5.05 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 680, 681,
 &end
#
# 42 LEU  MDX          42 LEU  HN          4.50    (#    555:10  Unique         2.42, 4.23 A)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
# 42 LEU  HN           42 LEU  MDY         5.50    (#   2723:20  Unique         2.42, 4.23 A)
 &rst
  ixpk= 2723, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 45 GLU  HN           42 LEU  HN          5.50    (#   1297:10  Unique         4.52, 4.64 A)
 &rst
  ixpk= 1297, nxpk= 10, iat= 658, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 LEU  MDX          46 MET  HG+         3.50    (#   2880:20  Unique         2.47, 5.04 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 680, 681,
 &end
#
# 42 LEU  MDX          46 MET  HG-         3.50    (#   2881:20  Unique         2.47, 5.04 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 680, 681,
 &end
#
# 42 LEU  MDX          93 LYS  HA          4.50    (#    141:20  Unique         2.46, 4.49 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
# 42 LEU  MDX          93 LYS  HE+         4.50    (#   1916:20  Unique         2.91, 5.66 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1414,1415,
 &end
#
# 42 LEU  MDX          93 LYS  HE-         5.50    (#   1915:20  Unique         2.91, 5.66 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1414,1415,
 &end
#
# 42 LEU  MDX          97 GLN  HA          3.50    (#    171:20  Unique         2.05, 3.72 A)
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
# 42 LEU  MDX          97 GLN  HB-         3.50    (#   1475:20  Unique         2.38, 4.01 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1471,1472,
 &end
#
# 42 LEU  MDX          97 GLN  HG+         3.50    (#    856:20  Unique         3.75, 5.36 A)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1474,1475,
 &end
#
# 42 LEU  MDX          97 GLN  HG-         3.50    (#    857:20  Unique         3.75, 5.36 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1474,1475,
 &end
#
# 42 LEU  MDX          97 GLN  HN          4.50    (#    699:10  Unique         2.52, 4.17 A)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
# 42 LEU  MDX          98 GLU  HN          5.50    (#   1486:10  Unique         5.00, 6.23 A)
 &rst
  ixpk= 1486, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
# 46 MET  HG-          42 LEU  MDY         5.50    (#   2728:20  Unique         2.47, 5.04 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 680, 681,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 42 LEU  MDY          93 LYS  HN          5.50    (#    523:10  Unique         5.19, 7.15 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
# 96 LEU  HB-          42 LEU  MDY         4.50    (#   2737:20  Unique         2.20, 4.30 A)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1452,1453,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 97 GLN  HA           42 LEU  MDY         4.50    (#   2717:20  Unique         2.05, 3.72 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 97 GLN  HG+          42 LEU  MDY         4.50    (#   2730:20  Unique         3.75, 5.36 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1474,1475,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 97 GLN  HG-          42 LEU  MDY         4.50    (#   2731:20  Unique         3.75, 5.36 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1474,1475,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 97 GLN  HN           42 LEU  MDY         4.50    (#   2721:20  Unique         2.52, 4.17 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 43 ASP  HB+          43 ASP  HA          2.80    (#   2115:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 633, 634,
 &end
#
# 43 ASP  HB-          43 ASP  HA          3.50    (#   2116:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 633, 634,
 &end
#
# 43 ASP  HA           43 ASP  HN          2.80    (#    663:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 43 ASP  HA           44 GLN  HN          4.50    (#    836:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 836, nxpk= 10, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 47 GLY  HN           43 ASP  HA          4.50    (#   2125:20  Unique         2.61, 2.87 A)
 &rst
  ixpk= 2125, nxpk= 20, iat= 690, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 ILE  HG1-         43 ASP  HA          3.50    (#   2118:20  Unique         3.36, 4.26 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 782, 783,
 &end
#
# 43 ASP  HA           52 ILE  QD1         3.50    (#   1126:20  Unique         2.55, 3.73 A)
 &rst
  ixpk= 1126, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 785, 786, 787,
 &end
#
# 43 ASP  HB+          43 ASP  HN          2.80    (#    667:10  Unique         2.33, 2.55 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 633, 634,
 &end
#
# 44 GLN  HN           43 ASP  HB+         3.50    (#   1950:20  Unique         2.87, 3.50 A)
 &rst
  ixpk= 1950, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 633, 634,
 &end
#
# 43 ASP  HB+          52 ILE  QD1         3.50    (#   1129:20  Unique         2.39, 4.09 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 633, 634,
 igr2= 785, 786, 787,
 &end
#
# 43 ASP  HB-          43 ASP  HN          2.80    (#    666:10  Unique         2.33, 2.55 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 633, 634,
 &end
#
# 43 ASP  HB-          44 GLN  HN          2.80    (#    838:10  Unique         2.87, 3.50 A)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 633, 634,
 &end
#
# 43 ASP  HB-          52 ILE  QD1         3.50    (#   1128:20  Unique         2.39, 4.09 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 633, 634,
 igr2= 785, 786, 787,
 &end
#
# 43 ASP  HN           44 GLN  HB-         4.50    (#   3166:20  Unique         4.67, 5.44 A)
 &rst
  ixpk= 3166, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 645, 646,
 &end
#
# 43 ASP  HN           44 GLN  HN          2.80    (#    834:10  Unique         2.53, 2.59 A)
 &rst
  ixpk= 834, nxpk= 10, iat= 629, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45 GLU  HN           43 ASP  HN          5.50    (#    673:10  Unique         4.08, 4.19 A)
 &rst
  ixpk= 673, nxpk= 10, iat= 658, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ASP  HN           52 ILE  QD1         3.50    (#   1122:20  Unique         3.04, 3.53 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 785, 786, 787,
 &end
#
# 44 GLN  HA           44 GLN  HB-         2.80    (#   3163:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 3163, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 645, 646,
 &end
#
# 44 GLN  HA           44 GLN  HG+         3.50    (#    873:20  Unique         2.55, 2.92 A)
 &rst
  ixpk= 873, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 648, 649,
 &end
#
# 44 GLN  HA           44 GLN  HG-         3.50    (#    872:20  Unique         2.55, 2.92 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 648, 649,
 &end
#
# 44 GLN  HA           44 GLN  HN          2.80    (#    837:10  Unique         2.91, 2.91 A)
 &rst
  ixpk= 837, nxpk= 10, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 44 GLN  HA           45 GLU  HN          3.50    (#    852:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 852, nxpk= 10, iat= 643, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 44 GLN  HA           47 GLY  HN          5.50    (#   1188:10  Unique         4.16, 4.32 A)
 &rst
  ixpk= 1188, nxpk= 10, iat= 643, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 GLN  HB+          44 GLN  HN          2.80    (#    840:10  Unique         2.28, 2.96 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 645, 646,
 &end
#
# 44 GLN  HG-          44 GLN  HB-         2.80    (#   3167:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 648, 649,
 igr2= 645, 646,
 &end
#
# 44 GLN  HN           44 GLN  HB-         2.80    (#   3164:20  Unique         2.28, 2.96 A)
 &rst
  ixpk= 3164, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 645, 646,
 &end
#
# 45 GLU  HN           44 GLN  HB-         3.50    (#   3165:20  Unique         2.63, 3.20 A)
 &rst
  ixpk= 3165, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 645, 646,
 &end
#
# 44 GLN  HE2+         44 GLN  HG+         5.50    (#    866:20  Unique         2.21, 3.37 A)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 653, 654,
 igr2= 648, 649,
 &end
#
# 44 GLN  HE2+         44 GLN  HG-         5.50    (#    867:20  Unique         2.21, 3.37 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 653, 654,
 igr2= 648, 649,
 &end
#
# 44 GLN  HG+          44 GLN  HN          2.80    (#    839:10  Unique         2.57, 3.35 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 648, 649,
 &end
#
# 44 GLN  HN           44 GLN  HG-         3.50    (#    861:20  Unique         2.57, 3.35 A)
 &rst
  ixpk= 861, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 648, 649,
 &end
#
# 45 GLU  HB+          44 GLN  HN          4.50    (#    841:10  Unique         4.35, 5.12 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 662, 663,
 &end
#
# 44 GLN  HN           45 GLU  HN          2.80    (#    850:10  Unique         2.47, 2.52 A)
 &rst
  ixpk= 850, nxpk= 10, iat= 641, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 44 GLN  HN           46 MET  HN          5.50    (#    988:10  Unique         4.10, 4.22 A)
 &rst
  ixpk= 988, nxpk= 10, iat= 641, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 GLN  HN           47 GLY  HN          5.50    (#   1531:10  Unique         4.17, 4.37 A)
 &rst
  ixpk= 1531, nxpk= 10, iat= 641, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 GLU  HA           45 GLU  HB+         2.80    (#   2822:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 2822, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 662, 663,
 &end
#
# 45 GLU  HA           45 GLU  HG+         3.50    (#   1698:20  Unique         2.72, 3.42 A)
 &rst
  ixpk= 1698, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 665, 666,
 &end
#
# 45 GLU  HA           45 GLU  HG-         3.50    (#   1699:20  Unique         2.72, 3.42 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 665, 666,
 &end
#
# 45 GLU  HA           45 GLU  HN          2.90    (#    851:10  Unique         2.81, 2.85 A)
 &rst
  ixpk= 851, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 45 GLU  HG+          45 GLU  HB+         2.80    (#   2824:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 665, 666,
 igr2= 662, 663,
 &end
#
# 45 GLU  HG-          45 GLU  HB+         2.80    (#   2825:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 665, 666,
 igr2= 662, 663,
 &end
#
# 45 GLU  HB+          45 GLU  HN          2.80    (#    856:10  Unique         2.13, 2.81 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 662, 663,
 &end
#
# 45 GLU  HB+          46 MET  HN          2.80    (#    994:10  Unique         2.42, 3.02 A)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 662, 663,
 &end
#
# 45 GLU  HG+          45 GLU  HN          4.00    (#    854:10  Unique         2.41, 3.38 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 665, 666,
 &end
#
# 46 MET  HN           45 GLU  HG+         5.50    (#   1696:20  Unique         3.57, 4.52 A)
 &rst
  ixpk= 1696, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 665, 666,
 &end
#
# 45 GLU  HN           45 GLU  HG-         4.50    (#   1695:20  Unique         2.41, 3.38 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 665, 666,
 &end
#
# 46 MET  HN           45 GLU  HG-         5.50    (#   1697:20  Unique         3.57, 4.52 A)
 &rst
  ixpk= 1697, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 665, 666,
 &end
#
# 45 GLU  HN           46 MET  HN          2.80    (#    987:10  Unique         2.53, 2.70 A)
 &rst
  ixpk= 987, nxpk= 10, iat= 658, 673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45 GLU  HN           47 GLY  HN          4.50    (#   1190:10  Unique         3.67, 3.89 A)
 &rst
  ixpk= 1190, nxpk= 10, iat= 658, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 93  LYS+ QG  45  GLU- QB  7.00  (# 1:50)
 &rst
  ixpk= 1, nxpk= 50, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1408,1409,
 igr2= 662, 663,
 &end
#
# 46 MET  HA           46 MET  HG+         4.50    (#   2875:20  Unique         3.24, 3.59 A)
 &rst
  ixpk= 2875, nxpk= 20, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 680, 681,
 &end
#
# 46 MET  HA           46 MET  HG-         4.50    (#   2874:20  Unique         3.24, 3.59 A)
 &rst
  ixpk= 2874, nxpk= 20, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 680, 681,
 &end
#
# 46 MET  HA           46 MET  HN          3.50    (#    995:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 995, nxpk= 10, iat= 675, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HA           46 MET  ME          4.50    (#   2430:20  Unique         4.12, 5.09 A)
 &rst
  ixpk= 2430, nxpk= 20, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 684, 685, 686,
 &end
#
# 46 MET  HA           47 GLY  HN          3.50    (#   1191:10  Unique         3.27, 3.35 A)
 &rst
  ixpk= 1191, nxpk= 10, iat= 675, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 46 MET  HA           48 ASP  HN          4.50    (#    719:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 675, 697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 46 MET  HA           49 LYS  HN          5.50    (#    741:10  Unique         3.27, 3.56 A)
 &rst
  ixpk= 741, nxpk= 10, iat= 675, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 MET  HB+          50 LEU  HN          4.50    (#    641:10  Unique         3.83, 4.80 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 677, 678,
 &end
#
# 46 MET  HB-          46 MET  HN          2.80    (#    993:10  Unique         2.58, 3.19 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 677, 678,
 &end
#
# 46 MET  HB-          47 GLY  HN          4.50    (#   1192:10  Unique         3.23, 3.92 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 677, 678,
 &end
#
# 46 MET  HG+          46 MET  HN          3.50    (#    991:10  Unique         2.90, 3.65 A)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 680, 681,
 &end
#
# 46 MET  HG-          46 MET  HN          3.50    (#    992:10  Unique         2.90, 3.65 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 680, 681,
 &end
#
# 46 MET  HG-          50 LEU  HB+         5.50    (#   2915:20  Unique         4.78, 6.45 A)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 680, 681,
 igr2= 735, 736,
 &end
#
# 46 MET  HG-          50 LEU  HB-         5.50    (#   2916:20  Unique         4.78, 6.45 A)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 680, 681,
 igr2= 735, 736,
 &end
#
# 46 MET  HG-          50 LEU  MDY         4.50    (#   3102:20  Unique         3.81, 6.02 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 680, 681,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 47 GLY  HA+          46 MET  HN          5.50    (#   1504:10  Unique         4.16, 4.43 A)
 &rst
  ixpk= 1504, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
# 46 MET  HN           47 GLY  HN          2.80    (#   1189:10  Unique         1.98, 2.13 A)
 &rst
  ixpk= 1189, nxpk= 10, iat= 673, 690, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 LYS  HE+          46 MET  ME          4.50    (#   2426:20  Unique         4.17, 6.13 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 722, 723,
 igr2= 684, 685, 686,
 &end
#
# 97 GLN  HA           46 MET  ME          3.50    (#   2428:20  Unique         3.66, 4.53 A)
 &rst
  ixpk= 2428, nxpk= 20, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 684, 685, 686,
 &end
#
# 97 GLN  HE2-         46 MET  ME          5.50    (#   2432:20  Unique         4.89, 5.98 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1479,1480,
 igr2= 684, 685, 686,
 &end
#
# 47 GLY  HA+          47 GLY  HN          2.80    (#   1187:10  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 692, 693,
 &end
#
# 48 ASP  HA           47 GLY  HA+         5.50    (#   2023:20  Unique         4.31, 4.61 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 692, 693,
 &end
#
# 48 ASP  HB+          47 GLY  HA+         5.50    (#   2024:20  Unique         4.83, 5.17 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 701, 702,
 igr2= 692, 693,
 &end
#
# 47 GLY  HA+          48 ASP  HN          2.80    (#    728:10  Unique         2.39, 3.03 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 692, 693,
 &end
#
# 49 LYS  HN           47 GLY  HA+         4.50    (#   2015:20  Unique         3.33, 4.63 A)
 &rst
  ixpk= 2015, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 692, 693,
 &end
#
# 50 LEU  HB+          47 GLY  HA+         5.50    (#   2029:20  Unique         3.19, 5.61 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 735, 736,
 igr2= 692, 693,
 &end
#
# 50 LEU  HN           47 GLY  HA+         4.50    (#   2017:20  Unique         2.82, 4.03 A)
 &rst
  ixpk= 2017, nxpk= 20, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 692, 693,
 &end
#
# 47 GLY  HA-          47 GLY  HN          2.80    (#   1186:10  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 692, 693,
 &end
#
# 47 GLY  HA-          48 ASP  HA          5.50    (#   2282:20  Unique         4.31, 4.61 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
# 47 GLY  HA-          48 ASP  HN          3.50    (#    721:10  Unique         2.39, 3.03 A)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 692, 693,
 &end
#
# 49 LYS  HN           47 GLY  HA-         4.50    (#   2014:20  Unique         3.33, 4.63 A)
 &rst
  ixpk= 2014, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 692, 693,
 &end
#
# 50 LEU  HB+          47 GLY  HA-         5.50    (#   2028:20  Unique         3.19, 5.61 A)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 735, 736,
 igr2= 692, 693,
 &end
#
# 47 GLY  HA-          50 LEU  HN          4.50    (#    640:10  Unique         2.82, 4.03 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 692, 693,
 &end
#
# 47 GLY  HN           48 ASP  HN          3.50    (#    716:10  Unique         3.10, 3.41 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 690, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 LYS  HN           47 GLY  HN          5.50    (#   1532:10  Unique         4.50, 4.63 A)
 &rst
  ixpk= 1532, nxpk= 10, iat= 709, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ASP  HB+          48 ASP  HA          2.80    (#   2283:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 701, 702,
 &end
#
# 48 ASP  HA           48 ASP  HN          2.80    (#    720:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 699, 697, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 48 ASP  HA           49 LYS  HN          4.50    (#    737:10  Unique         3.44, 3.60 A)
 &rst
  ixpk= 737, nxpk= 10, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LEU  HN           48 ASP  HA          4.50    (#   2281:20  Unique         3.63, 4.03 A)
 &rst
  ixpk= 2281, nxpk= 20, iat= 731, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 48 ASP  HB+          48 ASP  HN          2.80    (#    722:10  Unique         2.33, 3.17 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 701, 702,
 &end
#
# 49 LYS  HB+          48 ASP  HB+         4.50    (#   1898:20  Unique         4.33, 5.99 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2= 701, 702,
 &end
#
# 49 LYS  HG+          48 ASP  HB+         5.50    (#   1899:20  Unique         2.51, 5.06 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 716, 717,
 igr2= 701, 702,
 &end
#
# 48 ASP  HB+          49 LYS  HN          4.50    (#    733:10  Unique         2.67, 3.43 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 701, 702,
 &end
#
# 49 LYS  HG+          48 ASP  HN          4.50    (#    723:10  Unique         3.19, 4.98 A)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 716, 717,
 &end
#
# 48 ASP  HN           49 LYS  HN          2.80    (#    731:10  Unique         1.72, 1.77 A)
 &rst
  ixpk= 731, nxpk= 10, iat= 697, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 LEU  HN           48 ASP  HN          3.50    (#    718:10  Unique         2.04, 2.27 A)
 &rst
  ixpk= 718, nxpk= 10, iat= 731, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 LYS  HB+          49 LYS  HA          3.50    (#   2109:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
# 49 LYS  HB-          49 LYS  HA          3.50    (#   2108:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
# 49 LYS  HA           49 LYS  HG+         3.50    (#   2706:20  Unique         2.46, 2.75 A)
 &rst
  ixpk= 2706, nxpk= 20, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
# 49 LYS  HA           49 LYS  HN          2.80    (#    738:10  Unique         2.87, 2.93 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 LYS  HA           50 LEU  HN          3.50    (#    646:10  Unique         3.22, 3.38 A)
 &rst
  ixpk= 646, nxpk= 10, iat= 711, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 49 LYS  HE+          49 LYS  HB+         4.50    (#   1751:20  Unique         2.13, 3.66 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 722, 723,
 igr2= 713, 714,
 &end
#
# 49 LYS  HB+          49 LYS  HN          2.80    (#    739:10  Unique         2.25, 2.97 A)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 713, 714,
 &end
#
# 49 LYS  HB-          49 LYS  HE+         4.50    (#   1940:20  Unique         2.13, 3.66 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2= 722, 723,
 &end
#
# 49 LYS  HB-          49 LYS  HG+         2.80    (#   2710:20  Unique         2.24, 2.76 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 713, 714,
 igr2= 716, 717,
 &end
#
# 49 LYS  HB-          49 LYS  HN          3.50    (#    734:10  Unique         2.25, 2.97 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
# 49 LYS  HB-          50 LEU  HN          4.20    (#    627:10  Unique         2.82, 3.78 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 713, 714,
 &end
#
# 49 LYS  HE+          49 LYS  HD+         2.80    (#   1528:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 722, 723,
 igr2= 719, 720,
 &end
#
# 49 LYS  HN           49 LYS  HD+         4.50    (#   1532:20  Unique         1.91, 4.59 A)
 &rst
  ixpk= 1532, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 719, 720,
 &end
#
# 49 LYS  HG+          49 LYS  HN          2.80    (#    735:10  Unique         2.37, 3.35 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 716, 717,
 &end
#
# 49 LYS  HG+          50 LEU  HN          4.50    (#    647:10  Unique         4.40, 5.00 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 716, 717,
 &end
#
# 49 LYS  HN           50 LEU  HB+         5.50    (#   2919:20  Unique         3.53, 4.85 A)
 &rst
  ixpk= 2919, nxpk= 20, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 735, 736,
 &end
#
# 50 LEU  HB-          49 LYS  HN          5.50    (#   1473:10  Unique         3.53, 4.85 A)
 &rst
  ixpk= 1473, nxpk= 10, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 735, 736,
 &end
#
# 50 LEU  HN           49 LYS  HN          2.80    (#    736:10  Unique         1.98, 2.29 A)
 &rst
  ixpk= 736, nxpk= 10, iat= 731, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 5 LYS  HE+           5 LYS  HB+         5.50    (#   1651:20  Unique         2.13, 4.05 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  79,  80,
 igr2=  70,  71,
 &end
#
# 5 LYS  HG-           5 LYS  HB+         2.80    (#   1652:20  Unique         2.19, 2.62 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  73,  74,
 igr2=  70,  71,
 &end
#
# 5 LYS  HB+           5 LYS  HN          3.00    (#    169:10  Unique         2.51, 3.26 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  70,  71,
 &end
#
# 5 LYS  HB+           6 ALA  HN          3.50    (#    146:10  Unique         2.81, 3.68 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  70,  71,
 &end
#
# 53 VAL  HA            5 LYS  HE-         5.50    (#   1935:20  Unique         5.33, 6.36 A)
 &rst
  ixpk= 1935, nxpk= 20, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  79,  80,
 &end
#
# 5 LYS  HN            5 LYS  HG+         4.50    (#   1553:20  Unique         3.54, 4.34 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  73,  74,
 &end
#
# 6 ALA  HN            5 LYS  HG+         4.50    (#   1554:20  Unique         3.11, 4.55 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  73,  74,
 &end
#
# 5 LYS  HN            5 LYS  HG-         5.50    (#   1555:20  Unique         3.54, 4.34 A)
 &rst
  ixpk= 1555, 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  HG-         4.50    (#   1556:20  Unique         3.11, 4.55 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  73,  74,
 &end
#
# 5 LYS  HN            6 ALA  HN          4.50    (#   1269:10  Unique         4.24, 4.35 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=  66,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LEU  HB+          50 LEU  HA          3.50    (#   2321:20  Unique         2.21, 2.55 A)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 735, 736,
 &end
#
# 50 LEU  HA           50 LEU  HB-         3.50    (#   2773:20  Unique         2.21, 2.55 A)
 &rst
  ixpk= 2773, nxpk= 20, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 735, 736,
 &end
#
# 50 LEU  HG           50 LEU  HA          4.50    (#   2318:20  Unique         3.22, 3.49 A)
 &rst
  ixpk= 2318, nxpk= 20, iat= 738, 733, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LEU  HA           50 LEU  HN          2.80    (#    639:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 639, nxpk= 10, iat= 733, 731, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 LEU  HA           50 LEU  MDX         3.50    (#   2677:20  Unique         2.74, 4.65 A)
 &rst
  ixpk= 2677, nxpk= 20, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 50 LEU  HA           50 LEU  MDY         4.50    (#   3108:20  Unique         2.74, 4.65 A)
 &rst
  ixpk= 3108, nxpk= 20, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 50 LEU  HA           51 LYS  HB+         4.50    (#   1753:20  Unique         4.29, 4.98 A)
 &rst
  ixpk= 1753, nxpk= 20, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 754, 755,
 &end
#
# 50 LEU  HA           51 LYS  HN          2.80    (#    196:10  Unique         2.27, 2.41 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 733, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 LEU  HG           50 LEU  HB+         3.50    (#   2913:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2913, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 735, 736,
 &end
#
# 50 LEU  HB+          50 LEU  HN          2.80    (#    642:10  Unique         2.56, 3.25 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 735, 736,
 &end
#
# 50 LEU  HG           50 LEU  HB-         3.50    (#   2776:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2776, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 735, 736,
 &end
#
# 50 LEU  HB-          50 LEU  HN          3.50    (#    644:10  Unique         2.56, 3.25 A)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 735, 736,
 &end
#
# 50 LEU  HB-          50 LEU  MDY         3.50    (#   3107:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 3107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 735, 736,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 50 LEU  HG           50 LEU  HN          4.50    (#    643:10  Unique         3.65, 4.09 A)
 &rst
  ixpk= 643, nxpk= 10, iat= 738, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 50 LEU  HG           50 LEU  MDX         2.80    (#   2679:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 2679, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 50 LEU  HG           50 LEU  MDY         3.50    (#   3106:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 3106, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 50 LEU  HG           51 LYS  HN          3.50    (#    198:10  Unique         2.26, 2.68 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 738, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 LEU  HG           52 ILE  QD1         4.50    (#   1133:20  Unique         4.37, 5.43 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 785, 786, 787,
 &end
#
# 50 LEU  HN           50 LEU  MDY         4.50    (#   3109:20  Unique         2.35, 4.76 A)
 &rst
  ixpk= 3109, nxpk= 20, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
# 50 LEU  MDX          51 LYS  HN          3.50    (#    200:10  Unique         2.02, 4.42 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 740, 741, 742, 744, 745, 746,
 &end
#
# 51 LYS  HA           51 LYS  HB+         3.50    (#   1752:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 754, 755,
 &end
#
# 51 LYS  HA           51 LYS  HD+         4.50    (#   1585:20  Unique         4.27, 4.65 A)
 &rst
  ixpk= 1585, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 760, 761,
 &end
#
# 51 LYS  HA           51 LYS  HG-         3.50    (#   1576:20  Unique         2.47, 3.15 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 757, 758,
 &end
#
# 51 LYS  HA           51 LYS  HN          3.50    (#    195:10  Unique         2.94, 2.98 A)
 &rst
  ixpk= 195, nxpk= 10, iat= 752, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 51 LYS  HA           52 ILE  HB          5.50    (#   1800:20  Unique         4.49, 4.74 A)
 &rst
  ixpk= 1800, nxpk= 20, iat= 752, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 LYS  HA           52 ILE  HN          2.80    (#    112:10  Unique         2.32, 2.35 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 752, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51 LYS  HE+          51 LYS  HB+         4.50    (#   1757:20  Unique         2.15, 3.31 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 763, 764,
 igr2= 754, 755,
 &end
#
# 51 LYS  HB+          51 LYS  HE-         3.50    (#   1919:20  Unique         2.15, 3.31 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 763, 764,
 &end
#
# 51 LYS  HG+          51 LYS  HB+         2.80    (#   1759:20  Unique         2.33, 2.74 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
# 51 LYS  HB+          51 LYS  HN          2.80    (#    197:10  Unique         2.23, 3.08 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 754, 755,
 &end
#
# 53 VAL  MGY          51 LYS  HB+         4.50    (#   1762:20  Unique         3.04, 6.70 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 754, 755,
 &end
#
# 51 LYS  HE+          51 LYS  HD+         3.50    (#   1587:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764,
 igr2= 760, 761,
 &end
#
# 51 LYS  HE-          51 LYS  HD+         3.50    (#   1588:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 763, 764,
 igr2= 760, 761,
 &end
#
# 51 LYS  HD+          53 VAL  MGY         3.50    (#   2499:20  Unique         3.05, 6.66 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 760, 761,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
# 53 VAL  MGY          51 LYS  HE+         4.50    (#   1929:20  Unique         2.63, 6.06 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 763, 764,
 &end
#
# 51 LYS  HE-          51 LYS  HG-         4.50    (#   1577:20  Unique         2.35, 3.18 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 763, 764,
 igr2= 757, 758,
 &end
#
# 51 LYS  HE-          53 VAL  MGY         4.50    (#   2492:20  Unique         2.63, 6.06 A)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 763, 764,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
# 51 LYS  HG+          52 ILE  HN          4.50    (#    115:10  Unique         2.91, 4.36 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 757, 758,
 &end
#
# 51 LYS  HN           51 LYS  HG-         5.50    (#   1575:20  Unique         2.43, 3.66 A)
 &rst
  ixpk= 1575, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 757, 758,
 &end
#
# 51 LYS  HG-          52 ILE  HN          4.50    (#    114:10  Unique         2.91, 4.36 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 757, 758,
 &end
#
# 53 VAL  MGY          51 LYS  HG-         3.50    (#   1579:20  Unique         2.50, 6.84 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 757, 758,
 &end
#
# 51 LYS  HN           52 ILE  HN          5.50    (#   1266:10  Unique         4.25, 4.38 A)
 &rst
  ixpk= 1266, nxpk= 10, iat= 750, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 ILE  HA           52 ILE  HB          4.50    (#   1801:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1801, nxpk= 20, iat= 774, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 52 ILE  HA           52 ILE  HG1+        4.50    (#   3062:20  Unique         2.23, 2.73 A)
 &rst
  ixpk= 3062, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 782, 783,
 &end
#
# 52 ILE  HA           52 ILE  HG1-        4.50    (#   1452:20  Unique         2.23, 2.73 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 782, 783,
 &end
#
# 52 ILE  HA           52 ILE  QD1         4.50    (#   1124:20  Unique         4.21, 4.55 A)
 &rst
  ixpk= 1124, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 785, 786, 787,
 &end
#
# 52 ILE  HA           52 ILE  QG2         3.50    (#   1146:20  Unique         2.45, 3.14 A)
 &rst
  ixpk= 1146, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 778, 779, 780,
 &end
#
# 53 VAL  HB           52 ILE  HA          5.50    (#    461:20  Unique         4.25, 4.41 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 795, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 VAL  MGY          52 ILE  HA          4.50    (#    463:20  Unique         4.52, 6.09 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 52 ILE  HB           52 ILE  HN          2.80    (#    113:10  Unique         2.34, 2.45 A)
 &rst
  ixpk= 113, nxpk= 10, iat= 776, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 52  ILE  QD1 52  ILE  HB  3.5  (# 1:1131:20)
 &rst
  ixpk= 1, nxpk= 1131, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 785, 786, 787,
 &end
#
# 52 ILE  HB           52 ILE  QG2         2.80    (#   1156:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1156, nxpk= 20, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 778, 779, 780,
 &end
#
# 52 ILE  HN           52 ILE  HG1+        4.50    (#   3061:20  Unique         2.35, 3.10 A)
 &rst
  ixpk= 3061, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 782, 783,
 &end
#
# 52 ILE  HN           52 ILE  HG1-        3.50    (#   1449:20  Unique         2.35, 3.10 A)
 &rst
  ixpk= 1449, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 782, 783,
 &end
#
# 53 VAL  MGY          52 ILE  HN          5.50    (#   1264:10  Unique         4.83, 7.15 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 52  ILE  QD1 52  ILE  QG1  3.5  (# 2:1131:20)
 &rst
  ixpk= 2, nxpk= 1131, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 785, 786, 787,
 igr2= 782, 783,
 &end
#
# 53 VAL  HB           52 ILE  QG2         5.50    (#   1157:20  Unique         5.02, 5.78 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 778, 779, 780,
 &end
#
# 54 LYS  HE+          52 ILE  QG2         3.50    (#   1154:20  Unique         3.31, 5.19 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 820, 821,
 igr2= 778, 779, 780,
 &end
#
# 53 VAL  HA           53 VAL  HB          3.50    (#   2902:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 2902, nxpk= 20, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53 VAL  MGY          53 VAL  HA          2.80    (#    470:20  Unique         2.29, 3.14 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 53 VAL  HA           54 LYS  HN          2.80    (#    230:10  Unique         2.27, 2.35 A)
 &rst
  ixpk= 230, nxpk= 10, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53 VAL  HB           53 VAL  HN          2.80    (#    209:10  Unique         2.25, 2.47 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 795, 791, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53 VAL  MGY          53 VAL  HB          2.80    (#   2905:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 53 VAL  HB            6 ALA  HN          5.50    (#   1270:10  Unique         5.60, 5.68 A)
 &rst
  ixpk= 1270, nxpk= 10, iat= 795,  88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 VAL  MGY          54 LYS  HN          3.50    (#    232:10  Unique         2.54, 4.00 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 53 VAL  MGY          55 ILE  HN          5.50    (#    423:10  Unique         4.08, 6.41 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 53 VAL  MGY           6 ALA  HN          4.50    (#    149:10  Unique         2.59, 4.39 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 53 VAL  MGY           6 ALA  MB          3.50    (#   2449:20  Unique         2.22, 4.02 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=  92,  93,  94,
 &end
#
# 53 VAL  MGY           7 THR  HN          5.50    (#   1437:10  Unique         5.60, 6.73 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
# 54 LYS  HA           54 LYS  HB+         3.50    (#   1714:20  Unique         2.60, 2.86 A)
 &rst
  ixpk= 1714, nxpk= 20, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 811, 812,
 &end
#
# 54 LYS  HA           54 LYS  HB-         3.50    (#   1722:20  Unique         2.60, 2.86 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 811, 812,
 &end
#
# 54 LYS  HA           54 LYS  HD-         5.50    (#   3048:20  Unique         2.22, 2.74 A)
 &rst
  ixpk= 3048, nxpk= 20, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
# 54 LYS  HG+          54 LYS  HA          3.50    (#    497:20  Unique         2.47, 3.21 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 814, 815,
 &end
#
# 54 LYS  HA           54 LYS  HG-         4.50    (#   1580:20  Unique         2.47, 3.21 A)
 &rst
  ixpk= 1580, nxpk= 20, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 814, 815,
 &end
#
# 54 LYS  HN           54 LYS  HA          3.50    (#    491:20  Unique         2.96, 2.99 A)
 &rst
  ixpk= 491, nxpk= 20, iat= 807, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 ILE  HN           54 LYS  HA          3.50    (#    490:20  Unique         2.23, 2.27 A)
 &rst
  ixpk= 490, nxpk= 20, iat= 829, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 54 LYS  HE+          54 LYS  HB+         3.50    (#   1724:20  Unique         3.95, 4.60 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 820, 821,
 igr2= 811, 812,
 &end
#
# 54 LYS  HG+          54 LYS  HB+         3.50    (#   1725:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 814, 815,
 igr2= 811, 812,
 &end
#
# 54 LYS  HG-          54 LYS  HB+         3.50    (#   1726:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 814, 815,
 igr2= 811, 812,
 &end
#
# 54 LYS  HB+          54 LYS  HN          2.80    (#    235:10  Unique         2.12, 2.86 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 811, 812,
 &end
#
# 55 ILE  HN           54 LYS  HB+         4.50    (#   1716:20  Unique         3.16, 3.86 A)
 &rst
  ixpk= 1716, nxpk= 20, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 811, 812,
 &end
#
# 54 LYS  HG-          54 LYS  HB-         3.50    (#   1727:20  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 814, 815,
 igr2= 811, 812,
 &end
#
# 54 LYS  HB-          54 LYS  HN          3.50    (#    234:10  Unique         2.12, 2.86 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 811, 812,
 &end
#
# 54 LYS  HB-          55 ILE  HN          4.50    (#    401:10  Unique         3.16, 3.86 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 812,
 &end
#
# 54 LYS  HE+          54 LYS  HD+         3.50    (#   3054:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 820, 821,
 igr2= 817, 818,
 &end
#
# 54 LYS  HE+          54 LYS  HD-         3.50    (#   3053:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 820, 821,
 igr2= 817, 818,
 &end
#
# 54 LYS  HE+          54 LYS  HG+         3.50    (#   2701:20  Unique         2.18, 2.94 A)
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 820, 821,
 igr2= 814, 815,
 &end
#
# 54 LYS  HG-          54 LYS  HE+         3.50    (#   1860:20  Unique         2.18, 2.94 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 814, 815,
 igr2= 820, 821,
 &end
#
# 55 ILE  HA           55 ILE  HB          3.50    (#   1031:20  Unique         2.32, 2.34 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55 ILE  HA           55 ILE  HN          4.50    (#    400:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 831, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 55 ILE  HA           56 ASP  HN          2.80    (#     86:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 86, nxpk= 10, iat= 831, 848, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 ILE  HG1+         55 ILE  HB          3.50    (#   1029:20  Unique         2.53, 2.79 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 839, 840,
 &end
#
# 55 ILE  HG1-         55 ILE  HB          3.50    (#   1030:20  Unique         2.53, 2.79 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 839, 840,
 &end
#
# 55 ILE  HN           55 ILE  HB          4.50    (#   1037:20  Unique         3.40, 3.47 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 829, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 55 ILE  QD1          55 ILE  HB          3.50    (#   1028:20  Unique         2.48, 3.06 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 842, 843, 844,
 &end
#
# 55 ILE  QG2          55 ILE  HB          3.50    (#   1027:20  Unique         2.41, 2.64 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 835, 836, 837,
 &end
#
# 56 ASP  HN           55 ILE  HB          5.50    (#   1035:20  Unique         4.14, 4.20 A)
 &rst
  ixpk= 1035, nxpk= 20, iat= 848, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 ALA  HN           55 ILE  HB          5.50    (#   1036:20  Unique         3.09, 3.30 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  88, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE  HG1+         55 ILE  QD1         2.80    (#    901:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 839, 840,
 igr2= 842, 843, 844,
 &end
#
# 55 ILE  QG2          55 ILE  HG1+        3.50    (#   1070:20  Unique         2.41, 3.50 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 835, 836, 837,
 igr2= 839, 840,
 &end
#
# 55 ILE  HG1+         56 ASP  HN          5.50    (#     92:10  Unique         2.63, 3.25 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 839, 840,
 &end
#
# 55 ILE  HG1+         60 ASN  HB+         4.50    (#   1877:20  Unique         2.39, 3.45 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 839, 840,
 igr2= 907, 908,
 &end
#
# 60 ASN  HB-          55 ILE  HG1+        4.50    (#   1066:20  Unique         2.39, 3.45 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 907, 908,
 igr2= 839, 840,
 &end
#
# 55 ILE  HG1+         60 ASN  HD2-        5.50    (#   1294:10  Unique         2.56, 3.35 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 839, 840,
 igr2= 912, 913,
 &end
#
# 55 ILE  QD1          55 ILE  HG1-        3.50    (#   1072:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 842, 843, 844,
 igr2= 839, 840,
 &end
#
# 55 ILE  HG1-         55 ILE  QG2         3.50    (#    936:20  Unique         2.41, 3.50 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 839, 840,
 igr2= 835, 836, 837,
 &end
#
# 56 ASP  HB-          55 ILE  HG1-        4.50    (#   1075:20  Unique         4.52, 5.37 A)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 839, 840,
 &end
#
# 55 ILE  HG1-         56 ASP  HN          4.50    (#     90:10  Unique         2.63, 3.25 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 839, 840,
 &end
#
# 55 ILE  HG1-         60 ASN  HB+         4.50    (#   1875:20  Unique         2.39, 3.45 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 839, 840,
 igr2= 907, 908,
 &end
#
# 55 ILE  HG1-         60 ASN  HD2+        5.50    (#   1396:10  Unique         2.56, 3.35 A)
 &rst
  ixpk= 1396, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 839, 840,
 igr2= 912, 913,
 &end
#
# 60 ASN  HD2-         55 ILE  HG1-        4.50    (#   1077:20  Unique         2.56, 3.35 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 912, 913,
 igr2= 839, 840,
 &end
#
# 55 ILE  QD1          55 ILE  HN          5.50    (#   1394:10  Unique         5.63, 5.98 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 843, 844,
 &end
#
# 55 ILE  QG2          55 ILE  HN          2.80    (#    404:10  Unique         2.48, 3.21 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 835, 836, 837,
 &end
#
# 55 ILE  HN           56 ASP  HN          5.50    (#   1248:10  Unique         4.02, 4.17 A)
 &rst
  ixpk= 1248, nxpk= 10, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE  QG2          55 ILE  QD1         3.50    (#    900:20  Unique         2.19, 3.85 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 835, 836, 837,
 igr2= 842, 843, 844,
 &end
#
# 56 ASP  HN           55 ILE  QD1         5.50    (#    913:20  Unique         4.99, 5.39 A)
 &rst
  ixpk= 913, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 842, 843, 844,
 &end
#
# 55 ILE  QD1           6 ALA  MB          3.50    (#   2450:20  Unique         3.57, 5.55 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 842, 843, 844,
 igr2=  92,  93,  94,
 &end
#
# 60 ASN  HB+          55 ILE  QD1         3.50    (#    899:20  Unique         2.29, 3.65 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 907, 908,
 igr2= 842, 843, 844,
 &end
#
# 60 ASN  HB-          55 ILE  QD1         3.50    (#    898:20  Unique         2.29, 3.65 A)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 907, 908,
 igr2= 842, 843, 844,
 &end
#
# 60 ASN  HD2+         55 ILE  QD1         5.50    (#    911:20  Unique         3.78, 4.80 A)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 912, 913,
 igr2= 842, 843, 844,
 &end
#
# 60 ASN  HD2-         55 ILE  QD1         4.50    (#    912:20  Unique         3.78, 4.80 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 912, 913,
 igr2= 842, 843, 844,
 &end
#
# 63 THR  HA           55 ILE  QD1         5.50    (#    906:20  Unique         5.07, 5.59 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 842, 843, 844,
 &end
#
# 55 ILE  QD1          63 THR  HB          4.50    (#     35:20  Unique         2.34, 2.96 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 842, 843, 844,
 &end
#
# 7 THR  HA           55 ILE  QD1         3.50    (#    908:20  Unique         2.28, 3.01 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 842, 843, 844,
 &end
#
# 55 ILE  QD1           7 THR  HN          5.50    (#   1438:10  Unique         3.70, 4.86 A)
 &rst
  ixpk= 1438, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 843, 844,
 &end
#
# 55 ILE  QD1           7 THR  MG2         5.50    (#   1323:20  Unique         4.30, 5.80 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 842, 843, 844,
 igr2= 104, 105, 106,
 &end
#
# 55 ILE  QD1           8 ASP  HA          4.50    (#   2136:20  Unique         4.32, 5.03 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 842, 843, 844,
 &end
#
# 55 ILE  QD1           8 ASP  HN          4.50    (#    545:10  Unique         3.50, 4.39 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 842, 843, 844,
 &end
#
# 56 ASP  HN           55 ILE  QG2         4.50    (#    921:20  Unique         4.59, 5.25 A)
 &rst
  ixpk= 921, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 835, 836, 837,
 &end
#
# 57 VAL  HA           55 ILE  QG2         5.50    (#    931:20  Unique         4.90, 6.15 A)
 &rst
  ixpk= 931, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 835, 836, 837,
 &end
#
# 55 ILE  QG2          57 VAL  MGX         5.50    (#   1177:20  Unique         3.96, 7.47 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 835, 836, 837,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 55 ILE  QG2          57 VAL  MGY         4.50    (#   2453:20  Unique         3.96, 7.47 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 835, 836, 837,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 6 ALA  HN           55 ILE  QG2         5.50    (#    919:20  Unique         4.82, 5.58 A)
 &rst
  ixpk= 919, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 835, 836, 837,
 &end
#
# 55 ILE  QG2          60 ASN  HB+         4.50    (#   1879:20  Unique         5.44, 6.31 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 835, 836, 837,
 igr2= 907, 908,
 &end
#
# 55 ILE  QG2          64 ALA  MB          5.50    (#   2402:20  Unique         4.41, 6.55 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 835, 836, 837,
 igr2= 967, 968, 969,
 &end
#
# 56 ASP  HA           56 ASP  HB+         3.50    (#   1830:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1830, nxpk= 20, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 852, 853,
 &end
#
# 56 ASP  HA           56 ASP  HB-         4.50    (#   1829:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1829, nxpk= 20, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
# 56 ASP  HA           56 ASP  HN          4.50    (#     87:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 56 ASP  HA           57 VAL  HN          2.80    (#    329:10  Unique         2.20, 2.27 A)
 &rst
  ixpk= 329, nxpk= 10, iat= 850, 860, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 VAL  MGX          56 ASP  HA          4.50    (#    308:20  Unique         3.78, 5.02 A)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGY          56 ASP  HA          4.50    (#    307:20  Unique         3.78, 5.02 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 58 ASP  HN           56 ASP  HA          4.50    (#    315:20  Unique         3.97, 4.18 A)
 &rst
  ixpk= 315, nxpk= 20, iat= 876, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 56 ASP  HN           56 ASP  HB+         3.50    (#   1837:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 1837, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 852, 853,
 &end
#
# 57 VAL  HN           56 ASP  HB+         4.50    (#   1841:20  Unique         4.13, 4.29 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 852, 853,
 &end
#
# 59 GLU  HN           56 ASP  HB+         5.50    (#   1834:20  Unique         3.15, 4.11 A)
 &rst
  ixpk= 1834, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
# 60 ASN  HD2-         56 ASP  HB+         5.50    (#   1840:20  Unique         2.81, 4.24 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 912, 913,
 igr2= 852, 853,
 &end
#
# 56 ASP  HB-          56 ASP  HN          2.80    (#     88:10  Unique         2.24, 2.59 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 852, 853,
 &end
#
# 56 ASP  HB-          57 VAL  HN          5.50    (#   1378:10  Unique         4.13, 4.29 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 852, 853,
 &end
#
# 59 GLU  HB+          56 ASP  HB-         4.50    (#   1827:20  Unique         2.23, 4.07 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 892, 893,
 igr2= 852, 853,
 &end
#
# 59 GLU  HN           56 ASP  HB-         5.50    (#   1833:20  Unique         3.15, 4.11 A)
 &rst
  ixpk= 1833, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
# 56 ASP  HB-          60 ASN  HD2+        4.50    (#    414:10  Unique         2.81, 4.24 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 912, 913,
 &end
#
# 56 ASP  HB-          60 ASN  HD2-        4.50    (#    411:10  Unique         2.81, 4.24 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853,
 igr2= 912, 913,
 &end
#
# 56 ASP  HN           57 VAL  HN          5.50    (#   1381:10  Unique         4.45, 4.58 A)
 &rst
  ixpk= 1381, nxpk= 10, iat= 848, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 GLU  HB+          56 ASP  HN          5.50    (#   1243:10  Unique         3.01, 4.78 A)
 &rst
  ixpk= 1243, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 892, 893,
 &end
#
# 56 ASP  HN           60 ASN  HD2+        4.50    (#    417:10  Unique         2.73, 3.28 A)
 &rst
  ixpk= 417, nxpk= 10, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 912, 913,
 &end
#
# 56 ASP  HN           60 ASN  HD2-        3.50    (#    406:10  Unique         2.73, 3.28 A)
 &rst
  ixpk= 406, nxpk= 10, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 912, 913,
 &end
#
# 57 VAL  HA           57 VAL  HB          3.50    (#   2850:20  Unique         2.42, 2.49 A)
 &rst
  ixpk= 2850, nxpk= 20, iat= 862, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  HA           57 VAL  MGX         3.50    (#   1169:20  Unique         2.31, 3.50 A)
 &rst
  ixpk= 1169, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  HA           58 ASP  HN          3.50    (#    352:10  Unique         3.26, 3.52 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 862, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 60 ASN  HB+          57 VAL  HA          4.50    (#    611:20  Unique         2.77, 4.14 A)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 907, 908,
 &end
#
# 60 ASN  HB-          57 VAL  HA          5.50    (#    610:20  Unique         2.77, 4.14 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 907, 908,
 &end
#
# 60 ASN  HD2+         57 VAL  HA          4.50    (#    602:20  Unique         1.99, 4.41 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 912, 913,
 &end
#
# 57 VAL  HA           60 ASN  HN          3.50    (#    632:10  Unique         3.41, 3.54 A)
 &rst
  ixpk= 632, nxpk= 10, iat= 862, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  HA           64 ALA  MB          3.50    (#   2393:20  Unique         2.38, 3.29 A)
 &rst
  ixpk= 2393, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 967, 968, 969,
 &end
#
# 57 VAL  HB           57 VAL  HN          4.50    (#    330:10  Unique         3.59, 3.63 A)
 &rst
  ixpk= 330, nxpk= 10, iat= 864, 860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 VAL  MGX          57 VAL  HB          3.50    (#   2847:20  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  HB           57 VAL  MGY         2.80    (#   2455:20  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2455, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 64 ALA  MB           57 VAL  HB          3.50    (#   2849:20  Unique         2.52, 3.69 A)
 &rst
  ixpk= 2849, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 967, 968, 969,
 &end
#
# 57 VAL  HB           72 ILE  QG2         5.50    (#   1183:20  Unique         3.96, 4.65 A)
 &rst
  ixpk= 1183, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1080,1081,1082,
 &end
#
# 57 VAL  MGX          57 VAL  HN          2.80    (#    333:10  Unique         2.01, 3.10 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGY          57 VAL  HN          2.80    (#    332:10  Unique         2.01, 3.10 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  HN           58 ASP  HN          3.50    (#    348:10  Unique         2.72, 2.84 A)
 &rst
  ixpk= 348, nxpk= 10, iat= 860, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 57 VAL  HN           72 ILE  QG2         5.50    (#   1198:20  Unique         3.47, 4.55 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1080,1081,1082,
 &end
#
# 57 VAL  MGX          58 ASP  HA          5.50    (#   2272:20  Unique         3.35, 5.64 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGX          58 ASP  HN          3.50    (#    378:10  Unique         2.45, 4.31 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGX          64 ALA  MB          4.50    (#   2399:20  Unique         2.33, 5.00 A)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 967, 968, 969,
 &end
#
# 72 ILE  QD1          57 VAL  MGX         4.50    (#   1176:20  Unique         2.28, 4.82 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1087,1088,1089,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 74 THR  HN           57 VAL  MGX         5.50    (#   1165:20  Unique         5.52, 6.91 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGY          58 ASP  HN          5.50    (#   1238:10  Unique         2.45, 4.31 A)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGY          64 ALA  MB          3.50    (#   2398:20  Unique         2.33, 5.00 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 967, 968, 969,
 &end
#
# 57 VAL  MGY          69 VAL  HB          4.50    (#   1492:20  Unique         4.29, 6.70 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 866, 867, 868, 870, 871, 872,
 &end
#
# 57 VAL  MGY          69 VAL  MGX         4.50    (#   1015:20  Unique         2.50, 6.88 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 72 ILE  QD1          57 VAL  MGY         4.50    (#   2454:20  Unique         2.28, 4.82 A)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1087,1088,1089,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
# 58 ASP  HA           58 ASP  HB+         3.50    (#   2910:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 880, 881,
 &end
#
# 58 ASP  HB-          58 ASP  HA          3.50    (#   2269:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 880, 881,
 &end
#
# 58 ASP  HA           58 ASP  HN          3.50    (#    351:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 351, nxpk= 10, iat= 878, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 58 ASP  HA           59 GLU  HN          4.50    (#    882:10  Unique         3.18, 3.51 A)
 &rst
  ixpk= 882, nxpk= 10, iat= 878, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 58 ASP  HA           61 GLN  HE2-        5.50    (#   1070:10  Unique         3.79, 5.04 A)
 &rst
  ixpk= 1070, nxpk= 10, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 929, 930,
 &end
#
# 58 ASP  HA           61 GLN  HG+         5.50    (#    870:20  Unique         3.53, 4.84 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 924, 925,
 &end
#
# 58 ASP  HA           61 GLN  HG-         5.50    (#    871:20  Unique         3.53, 4.84 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 924, 925,
 &end
#
# 58 ASP  HB+          58 ASP  HN          3.50    (#    354:10  Unique         2.43, 2.63 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 880, 881,
 &end
#
# 58 ASP  HB+          59 GLU  HN          3.50    (#    879:10  Unique         2.56, 3.41 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 880, 881,
 &end
#
# 58 ASP  HB-          58 ASP  HN          2.80    (#    353:10  Unique         2.43, 2.63 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 880, 881,
 &end
#
# 58 ASP  HB-          59 GLU  HG+         4.50    (#   1973:20  Unique         3.36, 5.14 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 880, 881,
 igr2= 895, 896,
 &end
#
# 58 ASP  HB-          59 GLU  HG-         4.50    (#    831:20  Unique         3.36, 5.14 A)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 880, 881,
 igr2= 895, 896,
 &end
#
# 58 ASP  HB-          59 GLU  HN          3.50    (#    878:10  Unique         2.56, 3.41 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 880, 881,
 &end
#
# 58 ASP  HB-          70 MET  ME          5.50    (#   2371:20  Unique         5.70, 7.27 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 880, 881,
 igr2=1057,1058,1059,
 &end
#
# 59 GLU  HA           58 ASP  HN          5.50    (#   1235:10  Unique         4.64, 5.09 A)
 &rst
  ixpk= 1235, nxpk= 10, iat= 890, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 GLU  HB+          58 ASP  HN          5.50    (#   1237:10  Unique         3.78, 5.11 A)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 892, 893,
 &end
#
# 58 ASP  HN           59 GLU  HN          2.80    (#    880:10  Unique         1.87, 2.36 A)
 &rst
  ixpk= 880, nxpk= 10, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 58 ASP  HN           60 ASN  HN          4.50    (#    628:10  Unique         3.15, 3.73 A)
 &rst
  ixpk= 628, nxpk= 10, iat= 876, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 GLU  HA           59 GLU  HB+         3.50    (#   2807:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 2807, nxpk= 20, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 892, 893,
 &end
#
# 59 GLU  HA           59 GLU  HB-         3.50    (#   2844:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 2844, nxpk= 20, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 892, 893,
 &end
#
# 59 GLU  HG+          59 GLU  HA          3.50    (#   2076:20  Unique         2.40, 3.25 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 895, 896,
 &end
#
# 59 GLU  HA           59 GLU  HG-         3.50    (#   1969:20  Unique         2.40, 3.25 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 895, 896,
 &end
#
# 59 GLU  HA           59 GLU  HN          3.50    (#    883:10  Unique         2.89, 2.91 A)
 &rst
  ixpk= 883, nxpk= 10, iat= 890, 888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 59 GLU  HA           60 ASN  HN          3.50    (#    624:10  Unique         3.38, 3.45 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 890, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 61 GLN  HN           59 GLU  HA          5.50    (#   2081:20  Unique         4.35, 4.83 A)
 &rst
  ixpk= 2081, nxpk= 20, iat= 917, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 GLU  HG+          59 GLU  HB+         2.80    (#   2808:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 895, 896,
 igr2= 892, 893,
 &end
#
# 59 GLU  HB+          59 GLU  HN          2.80    (#    886:10  Unique         2.29, 2.97 A)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 892, 893,
 &end
#
# 60 ASN  HD2+         59 GLU  HB+         3.50    (#   2806:20  Unique         2.67, 3.67 A)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 912, 913,
 igr2= 892, 893,
 &end
#
# 59 GLU  HB+          60 ASN  HD2-        4.50    (#    413:10  Unique         2.67, 3.67 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 892, 893,
 igr2= 912, 913,
 &end
#
# 59 GLU  HB+          60 ASN  HN          4.50    (#    635:10  Unique         2.83, 3.71 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 892, 893,
 &end
#
# 59 GLU  HN           59 GLU  HB-         4.50    (#   2843:20  Unique         2.29, 2.97 A)
 &rst
  ixpk= 2843, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 892, 893,
 &end
#
# 60 ASN  HD2+         59 GLU  HB-         4.50    (#   2842:20  Unique         2.67, 3.67 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 912, 913,
 igr2= 892, 893,
 &end
#
# 60 ASN  HD2-         59 GLU  HB-         4.50    (#   2840:20  Unique         2.67, 3.67 A)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 912, 913,
 igr2= 892, 893,
 &end
#
# 60 ASN  HN           59 GLU  HB-         4.50    (#   2841:20  Unique         2.83, 3.71 A)
 &rst
  ixpk= 2841, nxpk= 20, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 892, 893,
 &end
#
# 59 GLU  HG+          59 GLU  HN          3.50    (#    884:10  Unique         2.35, 3.13 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 895, 896,
 &end
#
# 60 ASN  HN           59 GLU  HG+         5.50    (#   1968:20  Unique         4.38, 5.10 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 896,
 &end
#
# 59 GLU  HN           59 GLU  HG-         4.50    (#   1966:20  Unique         2.35, 3.13 A)
 &rst
  ixpk= 1966, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 895, 896,
 &end
#
# 60 ASN  HN           59 GLU  HG-         5.50    (#   1967:20  Unique         4.38, 5.10 A)
 &rst
  ixpk= 1967, nxpk= 20, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 896,
 &end
#
# 59 GLU  HN           60 ASN  HD2+        5.50    (#   1395:10  Unique         3.31, 4.34 A)
 &rst
  ixpk= 1395, nxpk= 10, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 912, 913,
 &end
#
# 60 ASN  HD2-         59 GLU  HN          5.50    (#   1533:10  Unique         3.31, 4.34 A)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 912, 913,
 &end
#
# 60 ASN  HN           59 GLU  HN          2.80    (#    881:10  Unique         1.79, 2.58 A)
 &rst
  ixpk= 881, nxpk= 10, iat= 903, 888, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 59 GLU  HN           70 MET  ME          5.50    (#   2364:20  Unique         5.72, 6.87 A)
 &rst
  ixpk= 2364, nxpk= 20, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1057,1058,1059,
 &end
#
# 6 ALA  HA            6 ALA  HN          2.90    (#   1358:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 1358, nxpk= 10, iat=  90,  88, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 6 ALA  HA            6 ALA  MB          3.50    (#   2443:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
# 6 ALA  HA            7 THR  HN          2.80    (#   1224:10  Unique         2.41, 2.49 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  90,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 6 ALA  HN            6 ALA  MB          3.50    (#   2440:20  Unique         2.80, 3.41 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
# 6 ALA  HN            7 THR  HN          5.50    (#   1545:10  Unique         4.38, 4.41 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=  88,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 THR  HN            6 ALA  MB          3.50    (#   2436:20  Unique         2.28, 3.25 A)
 &rst
  ixpk= 2436, 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    (#    544:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 907, 908,
 &end
#
# 60 ASN  HA           60 ASN  HB-         3.50    (#   1887:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 1887, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 907, 908,
 &end
#
# 60 ASN  HA           60 ASN  HD2-        5.50    (#   1295:10  Unique         4.00, 4.30 A)
 &rst
  ixpk= 1295, nxpk= 10, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 912, 913,
 &end
#
# 60 ASN  HA           60 ASN  HN          3.50    (#    631:10  Unique         2.96, 2.99 A)
 &rst
  ixpk= 631, nxpk= 10, iat= 905, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 60 ASN  HA           61 GLN  HN          2.80    (#    606:10  Unique         2.05, 2.39 A)
 &rst
  ixpk= 606, nxpk= 10, iat= 905, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 60 ASN  HA           62 GLU  HN          4.50    (#    371:10  Unique         3.26, 3.57 A)
 &rst
  ixpk= 371, nxpk= 10, iat= 905, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 60 ASN  HA            8 ASP  HN          5.50    (#    539:10  Unique         2.42, 3.22 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 905, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 ASN  HB+          60 ASN  HD2+        3.50    (#    421:10  Unique         2.25, 3.35 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 907, 908,
 igr2= 912, 913,
 &end
#
# 60 ASN  HB+          60 ASN  HD2-        3.50    (#    410:10  Unique         2.25, 3.35 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 907, 908,
 igr2= 912, 913,
 &end
#
# 60 ASN  HB+          60 ASN  HN          2.80    (#    634:10  Unique         2.62, 3.26 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 907, 908,
 &end
#
# 61 GLN  HN           60 ASN  HB+         5.50    (#   1867:20  Unique         3.32, 4.31 A)
 &rst
  ixpk= 1867, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 907, 908,
 &end
#
# 60 ASN  HB+           8 ASP  HN          4.50    (#    543:10  Unique         1.79, 3.23 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 907, 908,
 &end
#
# 60 ASN  HB-          60 ASN  HD2+        5.50    (#    420:10  Unique         2.25, 3.35 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 907, 908,
 igr2= 912, 913,
 &end
#
# 60 ASN  HB-          60 ASN  HD2-        4.50    (#    409:10  Unique         2.25, 3.35 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 907, 908,
 igr2= 912, 913,
 &end
#
# 60 ASN  HB-          60 ASN  HN          3.50    (#    633:10  Unique         2.62, 3.26 A)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 907, 908,
 &end
#
# 8 ASP  HN           60 ASN  HB-         4.50    (#   1891:20  Unique         1.79, 3.23 A)
 &rst
  ixpk= 1891, nxpk= 20, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 907, 908,
 &end
#
# 7 THR  MG2          60 ASN  HD2+        4.50    (#    416:10  Unique         1.86, 4.10 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 104, 105, 106,
 igr2= 912, 913,
 &end
#
# 60 ASN  HD2-         60 ASN  HN          3.50    (#    629:10  Unique         2.30, 3.68 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 912, 913,
 &end
#
# 7 THR  MG2          60 ASN  HD2-        5.50    (#   1293:10  Unique         1.86, 4.10 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 104, 105, 106,
 igr2= 912, 913,
 &end
#
# 60 ASN  HN           61 GLN  HE2+        5.50    (#   1064:10  Unique         3.08, 3.93 A)
 &rst
  ixpk= 1064, nxpk= 10, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 929, 930,
 &end
#
# 61 GLN  HN           60 ASN  HN          4.50    (#    623:10  Unique         2.94, 3.41 A)
 &rst
  ixpk= 623, nxpk= 10, iat= 917, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 61 GLN  HA           61 GLN  HB-         3.50    (#   1486:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1486, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 921, 922,
 &end
#
# 61 GLN  HA           61 GLN  HG+         3.50    (#    874:20  Unique         2.64, 3.27 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 924, 925,
 &end
#
# 61 GLN  HA           61 GLN  HN          2.80    (#    607:10  Unique         2.74, 2.82 A)
 &rst
  ixpk= 607, nxpk= 10, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 61 GLN  HA           62 GLU  HN          4.50    (#    372:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 61 GLN  HA           64 ALA  HN          4.50    (#    362:10  Unique         4.37, 4.54 A)
 &rst
  ixpk= 362, nxpk= 10, iat= 919, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 61 GLN  HA           64 ALA  MB          3.50    (#   2391:20  Unique         3.47, 4.67 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 967, 968, 969,
 &end
#
# 61 GLN  HA           65 GLY  HN          5.50    (#   1341:10  Unique         3.58, 3.84 A)
 &rst
  ixpk= 1341, nxpk= 10, iat= 919, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 GLN  HA           70 MET  ME          4.50    (#   2367:20  Unique         1.97, 2.54 A)
 &rst
  ixpk= 2367, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1057,1058,1059,
 &end
#
# 61 GLN  HB+          61 GLN  HN          2.80    (#    612:10  Unique         2.39, 3.22 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 921, 922,
 &end
#
# 61 GLN  HG+          61 GLN  HB-         2.80    (#   1530:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
# 61 GLN  HG-          61 GLN  HB-         2.80    (#   1531:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
# 61 GLN  HB-          61 GLN  HN          2.80    (#    611:10  Unique         2.39, 3.22 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 921, 922,
 &end
#
# 62 GLU  HN           61 GLN  HB-         4.50    (#   1529:20  Unique         2.28, 3.33 A)
 &rst
  ixpk= 1529, nxpk= 20, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 921, 922,
 &end
#
# 61 GLN  HG-          61 GLN  HE2+        5.50    (#   1078:10  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 924, 925,
 igr2= 929, 930,
 &end
#
# 61 GLN  HE2+          9 GLN  HE2-        5.50    (#   1056:10  Unique         2.76, 6.16 A)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 929, 930,
 igr2= 136, 137,
 &end
#
# 62 GLU  HB+          61 GLN  HE2-        5.50    (#   1085:10  Unique         5.38, 7.33 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 938, 939,
 igr2= 929, 930,
 &end
#
# 61 GLN  HN           61 GLN  HG+         3.50    (#    858:20  Unique         2.68, 3.38 A)
 &rst
  ixpk= 858, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 924, 925,
 &end
#
# 61 GLN  HG+          62 GLU  HN          5.50    (#   1387:10  Unique         2.68, 4.85 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 924, 925,
 &end
#
# 61 GLN  HG-          61 GLN  HN          3.50    (#    610:10  Unique         2.68, 3.38 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 924, 925,
 &end
#
# 61 GLN  HG-          62 GLU  HN          5.50    (#   1386:10  Unique         2.68, 4.85 A)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 924, 925,
 &end
#
# 61 GLN  HG-          70 MET  ME          4.50    (#   2374:20  Unique         3.68, 5.15 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 924, 925,
 igr2=1057,1058,1059,
 &end
#
# 62 GLU  HA           61 GLN  HN          5.50    (#   1306:10  Unique         4.70, 5.21 A)
 &rst
  ixpk= 1306, nxpk= 10, iat= 936, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HB+          61 GLN  HN          4.50    (#   1309:10  Unique         3.91, 5.26 A)
 &rst
  ixpk= 1309, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 938, 939,
 &end
#
# 62 GLU  HG-          61 GLN  HN          5.50    (#   1308:10  Unique         4.03, 5.64 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 941, 942,
 &end
#
# 62 GLU  HN           61 GLN  HN          2.80    (#    604:10  Unique         2.06, 2.65 A)
 &rst
  ixpk= 604, nxpk= 10, iat= 934, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 61 GLN  HN           63 THR  HN          5.50    (#   1534:10  Unique         3.52, 4.47 A)
 &rst
  ixpk= 1534, nxpk= 10, iat= 917, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HA           62 GLU  HB+         2.80    (#   1535:20  Unique         2.43, 2.83 A)
 &rst
  ixpk= 1535, nxpk= 20, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 938, 939,
 &end
#
# 62 GLU  HA           62 GLU  HN          2.80    (#    373:10  Unique         2.76, 2.84 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 936, 934, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 62 GLU  HA           63 THR  HN          4.50    (#    616:10  Unique         3.62, 3.67 A)
 &rst
  ixpk= 616, nxpk= 10, iat= 936, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62 GLU  HA           64 ALA  HN          5.50    (#   1390:10  Unique         4.94, 5.14 A)
 &rst
  ixpk= 1390, nxpk= 10, iat= 936, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HA           65 GLY  HN          4.50    (#     82:10  Unique         3.46, 3.75 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 936, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 62 GLU  HA           66 LYS  HN          5.50    (#    285:10  Unique         4.23, 4.42 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 936, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HB+          62 GLU  HN          2.80    (#    377:10  Unique         1.99, 2.77 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 938, 939,
 &end
#
# 62 GLU  HB+          63 THR  HN          2.80    (#    620:10  Unique         2.64, 3.18 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 938, 939,
 &end
#
# 62 GLU  HB+          66 LYS  HN          5.50    (#   1376:10  Unique         5.11, 5.93 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 938, 939,
 &end
#
# 8 ASP  HB+          62 GLU  HB+         3.50    (#   1536:20  Unique         2.08, 3.20 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 116, 117,
 igr2= 938, 939,
 &end
#
# 62 GLU  HB+           9 GLN  HE2+        5.50    (#   1043:10  Unique         5.23, 6.74 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 938, 939,
 igr2= 136, 137,
 &end
#
# 62 GLU  HN           62 GLU  HG+         4.50    (#    824:20  Unique         2.13, 3.42 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 941, 942,
 &end
#
# 62 GLU  HG+          63 THR  HN          5.50    (#   1502:10  Unique         4.40, 5.00 A)
 &rst
  ixpk= 1502, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 941, 942,
 &end
#
# 62 GLU  HG-          62 GLU  HN          3.50    (#    375:10  Unique         2.13, 3.42 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 941, 942,
 &end
#
# 63 THR  HN           62 GLU  HG-         5.50    (#    825:20  Unique         4.40, 5.00 A)
 &rst
  ixpk= 825, nxpk= 20, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 941, 942,
 &end
#
# 63 THR  HA           62 GLU  HN          5.50    (#   1385:10  Unique         5.31, 5.34 A)
 &rst
  ixpk= 1385, nxpk= 10, iat= 951, 934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 GLU  HN           63 THR  HN          2.80    (#    613:10  Unique         2.77, 2.82 A)
 &rst
  ixpk= 613, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 62 GLU  HN           64 ALA  HN          5.50    (#   1539:10  Unique         4.44, 4.59 A)
 &rst
  ixpk= 1539, nxpk= 10, iat= 934, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 ASP  HB+          62 GLU  HN          4.50    (#    374:10  Unique         2.47, 3.34 A)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 116, 117,
 &end
#
# 63 THR  HA           63 THR  HN          2.80    (#    617:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 617, nxpk= 10, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 63 THR  HA           63 THR  MG2         3.50    (#   2551:20  Unique         2.30, 2.81 A)
 &rst
  ixpk= 2551, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 955, 956, 957,
 &end
#
# 64 ALA  HN           63 THR  HA          4.50    (#     49:20  Unique         3.59, 3.61 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 66 LYS  HB+          63 THR  HA          5.50    (#     39:20  Unique         2.28, 3.30 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 984, 985,
 &end
#
# 66 LYS  HD+          63 THR  HA          5.50    (#     38:20  Unique         2.56, 4.00 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 990, 991,
 &end
#
# 66 LYS  HN           63 THR  HA          5.50    (#     51:20  Unique         3.19, 3.27 A)
 &rst
  ixpk= 51, nxpk= 20, iat= 980, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 TYR  HE           63 THR  HA          5.50    (#     46:20  Unique         3.64, 5.24 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012,1017,
 &end
#
# 63 THR  HA            8 ASP  HA          5.50    (#   2131:20  Unique         3.82, 4.29 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 951, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 THR  HB           63 THR  HN          3.50    (#    618:10  Unique         2.86, 3.17 A)
 &rst
  ixpk= 618, nxpk= 10, iat= 953, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 63 THR  HB           63 THR  MG2         3.50    (#   2550:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 2550, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 955, 956, 957,
 &end
#
# 64 ALA  HN           63 THR  HB          4.50    (#     50:20  Unique         2.13, 2.34 A)
 &rst
  ixpk= 50, nxpk= 20, iat= 963, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 65 GLY  HN           63 THR  HB          5.50    (#     53:20  Unique         4.71, 4.80 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 973, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 THR  HB           66 LYS  HB+         4.50    (#   2801:20  Unique         4.71, 5.26 A)
 &rst
  ixpk= 2801, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 984, 985,
 &end
#
# 66 LYS  HB-          63 THR  HB          4.50    (#     42:20  Unique         4.71, 5.26 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 984, 985,
 &end
#
# 66 LYS  HD+          63 THR  HB          6.00    (#     40:20  Unique         4.12, 6.09 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 990, 991,
 &end
#
# 63 THR  HB           66 LYS  HN          5.50    (#    287:10  Unique         4.72, 4.88 A)
 &rst
  ixpk= 287, nxpk= 10, iat= 953, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 TYR  HE           63 THR  HB          5.50    (#     47:20  Unique         2.81, 5.36 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012,1017,
 &end
#
# 63 THR  MG2          63 THR  HN          4.50    (#    621:10  Unique         3.50, 4.29 A)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 955, 956, 957,
 &end
#
# 63 THR  HN           64 ALA  HN          2.80    (#    366:10  Unique         2.71, 2.77 A)
 &rst
  ixpk= 366, nxpk= 10, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 64 ALA  MB           63 THR  HN          5.50    (#   1475:10  Unique         4.64, 5.40 A)
 &rst
  ixpk= 1475, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 967, 968, 969,
 &end
#
# 63 THR  HN           65 GLY  HN          5.50    (#   1538:10  Unique         3.85, 3.95 A)
 &rst
  ixpk= 1538, nxpk= 10, iat= 949, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 ASP  HB+          63 THR  HN          4.50    (#    619:10  Unique         1.92, 2.57 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 116, 117,
 &end
#
# 63 THR  MG2          64 ALA  HA          5.50    (#    289:20  Unique         4.17, 5.51 A)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 955, 956, 957,
 &end
#
# 63 THR  MG2          64 ALA  HN          4.50    (#    365:10  Unique         3.99, 4.62 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 955, 956, 957,
 &end
#
# 63 THR  MG2          64 ALA  MB          5.50    (#   2401:20  Unique         5.40, 6.92 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 955, 956, 957,
 igr2= 967, 968, 969,
 &end
#
# 63 THR  MG2          66 LYS  HN          5.50    (#   1374:10  Unique         4.59, 5.61 A)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 955, 956, 957,
 &end
#
# 63 THR  MG2          67 TYR  HD          4.50    (#   3209:20  Unique         4.66, 6.90 A)
 &rst
  ixpk= 3209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 955, 956, 957,
 igr2=1010,1019,
 &end
#
# 67 TYR  HE           63 THR  MG2         2.80    (#   2545:20  Unique         2.38, 5.07 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1012,1017,
 igr2= 955, 956, 957,
 &end
#
# 63 THR  MG2          67 TYR  HN          5.50    (#   1476:10  Unique         5.74, 6.89 A)
 &rst
  ixpk= 1476, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 955, 956, 957,
 &end
#
# 63 THR  MG2           8 ASP  HA          4.50    (#   2137:20  Unique         2.25, 3.79 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 955, 956, 957,
 &end
#
# 64 ALA  HN           64 ALA  HA          3.50    (#    299:20  Unique         2.80, 2.83 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 64 ALA  HA           64 ALA  MB          2.80    (#   2394:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 2394, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 967, 968, 969,
 &end
#
# 67 TYR  HB+          64 ALA  HA          5.50    (#    294:20  Unique         3.78, 5.05 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1007,
 &end
#
# 67 TYR  HD           64 ALA  HA          4.50    (#    298:20  Unique         2.12, 4.57 A)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1019,
 &end
#
# 67 TYR  HE           64 ALA  HA          3.50    (#    296:20  Unique         3.13, 5.10 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1012,1017,
 &end
#
# 64 ALA  HA           69 VAL  HB          3.50    (#   1494:20  Unique         2.75, 2.97 A)
 &rst
  ixpk= 1494, nxpk= 20, iat= 965,1034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HN           64 ALA  HA          4.50    (#    300:20  Unique         3.47, 4.05 A)
 &rst
  ixpk= 300, nxpk= 20, iat=1030, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 VAL  MGX          64 ALA  HA          3.50    (#   2090:20  Unique         3.88, 4.96 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 64 ALA  MB           64 ALA  HN          2.80    (#    364:10  Unique         2.29, 2.84 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 967, 968, 969,
 &end
#
# 64 ALA  HN           65 GLY  HA+         5.50    (#   2007:20  Unique         5.05, 5.29 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 975, 976,
 &end
#
# 64 ALA  HN           65 GLY  HN          2.80    (#     81:10  Unique         2.82, 2.86 A)
 &rst
  ixpk= 81, nxpk= 10, iat= 963, 973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 64 ALA  HN           66 LYS  HN          4.50    (#    282:10  Unique         4.01, 4.16 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 67 TYR  HE           64 ALA  HN          4.80    (#    361:10  Unique         4.44, 6.48 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1012,1017,
 &end
#
# 64 ALA  HN           70 MET  ME          5.50    (#   2365:20  Unique         3.60, 4.56 A)
 &rst
  ixpk= 2365, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1057,1058,1059,
 &end
#
# 64 ALA  MB           65 GLY  HA+         4.50    (#   2011:20  Unique         4.26, 5.32 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 967, 968, 969,
 igr2= 975, 976,
 &end
#
# 64 ALA  MB           65 GLY  HN          2.80    (#     78:10  Unique         2.53, 3.54 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 967, 968, 969,
 &end
#
# 67 TYR  HE           64 ALA  MB          5.50    (#   2389:20  Unique         5.07, 7.51 A)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1012,1017,
 igr2= 967, 968, 969,
 &end
#
# 68 GLY  HN           64 ALA  MB          5.50    (#   2406:20  Unique         5.31, 6.77 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 967, 968, 969,
 &end
#
# 64 ALA  MB           69 VAL  HB          3.50    (#   1493:20  Unique         2.45, 4.12 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 967, 968, 969,
 &end
#
# 64 ALA  MB           69 VAL  HN          4.50    (#    558:10  Unique         3.67, 4.99 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 967, 968, 969,
 &end
#
# 64 ALA  MB           69 VAL  MGX         3.50    (#   1014:20  Unique         2.36, 5.70 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 967, 968, 969,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          64 ALA  MB          4.50    (#   2400:20  Unique         2.36, 5.70 A)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1036,1037,1038,1040,1041,1042,
 igr2= 967, 968, 969,
 &end
#
# 70 MET  HG+          64 ALA  MB          5.50    (#   2395:20  Unique         3.66, 5.45 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053,1054,
 igr2= 967, 968, 969,
 &end
#
# 65 GLY  HA+          65 GLY  HN          2.80    (#     83:10  Unique         2.26, 2.56 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 975, 976,
 &end
#
# 66 LYS  HB-          65 GLY  HA+         5.50    (#   2010:20  Unique         4.89, 5.73 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 984, 985,
 igr2= 975, 976,
 &end
#
# 66 LYS  HN           65 GLY  HA+         3.50    (#   2006:20  Unique         3.01, 3.32 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 975, 976,
 &end
#
# 65 GLY  HA+          70 MET  ME          5.50    (#   2369:20  Unique         3.12, 4.63 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 975, 976,
 igr2=1057,1058,1059,
 &end
#
# 65 GLY  HN           66 LYS  HA          5.50    (#    191:20  Unique         5.24, 5.35 A)
 &rst
  ixpk= 191, nxpk= 20, iat= 973, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 LYS  HB-          65 GLY  HN          5.50    (#   1342:10  Unique         4.53, 5.23 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 984, 985,
 &end
#
# 65 GLY  HN           66 LYS  HN          2.80    (#    281:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 973, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 66 LYS  HA           66 LYS  HB+         3.50    (#   2800:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 2800, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 984, 985,
 &end
#
# 66 LYS  HA           66 LYS  HB-         3.50    (#   2799:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 2799, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 984, 985,
 &end
#
# 66 LYS  HA           66 LYS  HG+         3.50    (#   1565:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 1565, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
# 66 LYS  HN           66 LYS  HA          3.50    (#    190:20  Unique         2.80, 2.82 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 68 GLY  HN           66 LYS  HA          5.50    (#    189:20  Unique         4.04, 4.11 A)
 &rst
  ixpk= 189, nxpk= 20, iat=1023, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 LYS  HB+          66 LYS  HN          2.80    (#    289:10  Unique         2.09, 2.64 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 984, 985,
 &end
#
# 66 LYS  HB+          67 TYR  HE          5.50    (#    583:20  Unique         2.92, 4.13 A)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 984, 985,
 igr2=1012,1017,
 &end
#
# 66 LYS  HB+          67 TYR  HN          3.50    (#   1039:10  Unique         2.47, 3.28 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 984, 985,
 &end
#
# 66 LYS  HB+          83 VAL  MGY         5.50    (#   2476:20  Unique         5.39, 7.70 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 984, 985,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 66 LYS  HB-          66 LYS  HN          2.80    (#    288:10  Unique         2.09, 2.64 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 984, 985,
 &end
#
# 66 LYS  HB-          67 TYR  HN          3.50    (#   1038:10  Unique         2.47, 3.28 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 984, 985,
 &end
#
# 67 TYR  HD           66 LYS  HD+         4.50    (#   3033:20  Unique         4.56, 5.91 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1010,1019,
 igr2= 990, 991,
 &end
#
# 67 TYR  HE           66 LYS  HD+         4.50    (#   3032:20  Unique         2.73, 4.51 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1012,1017,
 igr2= 990, 991,
 &end
#
# 67 TYR  HE           66 LYS  HE+         4.50    (#   1922:20  Unique         3.71, 5.85 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1012,1017,
 igr2= 993, 994,
 &end
#
# 66 LYS  HG+          66 LYS  HN          4.50    (#    291:10  Unique         2.43, 4.04 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
# 66 LYS  HG+          67 TYR  HN          5.50    (#   1478:10  Unique         4.27, 4.86 A)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987, 988,
 &end
#
# 66 LYS  HG-          66 LYS  HN          5.50    (#    292:10  Unique         2.43, 4.04 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987, 988,
 &end
#
# 66 LYS  HN           67 TYR  HN          2.80    (#   1030:10  Unique         2.55, 2.70 A)
 &rst
  ixpk= 1030, nxpk= 10, iat= 980,1002, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 68 GLY  HN           66 LYS  HN          5.50    (#    283:10  Unique         3.75, 4.03 A)
 &rst
  ixpk= 283, nxpk= 10, iat=1023, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 VAL  HB           66 LYS  HN          5.50    (#    295:10  Unique         5.51, 5.54 A)
 &rst
  ixpk= 295, nxpk= 10, iat=1034, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 TYR  HA           67 TYR  HB+         3.50    (#   1788:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1006,1007,
 &end
#
# 67 TYR  HB-          67 TYR  HA          3.50    (#   2138:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1006,1007,
 &end
#
# 67 TYR  HA           67 TYR  HD          4.50    (#   3216:20  Unique         2.62, 3.70 A)
 &rst
  ixpk= 3216, nxpk= 20, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1019,
 &end
#
# 67 TYR  HE           67 TYR  HA          5.50    (#   2142:20  Unique         4.84, 5.57 A)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012,1017,
 &end
#
# 67 TYR  HA           67 TYR  HN          3.50    (#   1033:10  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1004,1002, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 67 TYR  HA           68 GLY  HN          3.50    (#   1205:10  Unique         3.17, 3.28 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  MGX          67 TYR  HA          5.50    (#   2141:20  Unique         4.14, 6.55 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          67 TYR  HA          4.50    (#   2140:20  Unique         4.14, 6.55 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 67 TYR  HB+          67 TYR  HD          4.50    (#   3215:20  Unique         2.29, 3.09 A)
 &rst
  ixpk= 3215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,
 igr2=1010,1019,
 &end
#
# 67 TYR  HE           67 TYR  HB+         5.50    (#   1790:20  Unique         4.57, 5.09 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1017,
 igr2=1006,1007,
 &end
#
# 67 TYR  HB+          67 TYR  HN          2.80    (#   1037:10  Unique         2.45, 3.20 A)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB+          68 GLY  HN          5.50    (#   1207:10  Unique         3.47, 4.15 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB+          69 VAL  HN          5.50    (#   1500:10  Unique         2.78, 3.84 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB+          69 VAL  MGX         3.50    (#   1012:20  Unique         2.11, 4.44 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1006,1007,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          67 TYR  HB+         4.50    (#   1786:20  Unique         2.11, 4.44 A)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1036,1037,1038,1040,1041,1042,
 igr2=1006,1007,
 &end
#
# 67 TYR  HB-          67 TYR  HD          4.50    (#   3180:20  Unique         2.29, 3.09 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1006,1007,
 igr2=1010,1019,
 &end
#
# 67 TYR  HE           67 TYR  HB-         4.50    (#    733:20  Unique         4.57, 5.09 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1012,1017,
 igr2=1006,1007,
 &end
#
# 67 TYR  HB-          67 TYR  HN          3.50    (#   1036:10  Unique         2.45, 3.20 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB-          68 GLY  HN          5.50    (#   1499:10  Unique         3.47, 4.15 A)
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB-          69 VAL  HN          5.50    (#   1501:10  Unique         2.78, 3.84 A)
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB-          69 VAL  MGX         4.50    (#   1010:20  Unique         2.11, 4.44 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1006,1007,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          67 TYR  HB-         3.50    (#    727:20  Unique         2.11, 4.44 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1036,1037,1038,1040,1041,1042,
 igr2=1006,1007,
 &end
#
# 67 TYR  HB-          76 LEU  HG          4.50    (#   2594:20  Unique         4.23, 4.79 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1006,1007,
 &end
#
# 67 TYR  HB-          76 LEU  MDY         5.50    (#   2689:20  Unique         2.30, 4.38 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1006,1007,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 67 TYR  HB-          83 VAL  MGY         5.50    (#   2474:20  Unique         3.67, 6.14 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1006,1007,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 67 TYR  HD           67 TYR  HE          2.80    (#    577:20  Unique         2.40, 3.71 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1010,1019,
 igr2=1012,1017,
 &end
#
# 67 TYR  HD           76 LEU  MDY         5.50    (#   2684:20  Unique         2.40, 4.78 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1010,1019,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 67 TYR  HD           83 VAL  MGY         3.50    (#   2469:20  Unique         2.13, 5.52 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1010,1019,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 67 TYR  HE           67 TYR  HN          5.50    (#   1032:10  Unique         3.99, 4.83 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012,1017,
 &end
#
# 67 TYR  HE           69 VAL  MGX         5.50    (#   1002:20  Unique         5.29, 7.61 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1012,1017,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 67 TYR  HE           76 LEU  HB+         5.50    (#   2935:20  Unique         4.79, 5.94 A)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1017,
 igr2=1144,1145,
 &end
#
# 67 TYR  HE           76 LEU  HB-         5.50    (#   2934:20  Unique         4.79, 5.94 A)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1012,1017,
 igr2=1144,1145,
 &end
#
# 83 VAL  HB           67 TYR  HE          5.50    (#    582:20  Unique         2.33, 5.52 A)
 &rst
  ixpk= 582, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1012,1017,
 &end
#
# 67 TYR  HE           83 VAL  MGY         3.50    (#   2470:20  Unique         2.26, 5.55 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1012,1017,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 67 TYR  HN           68 GLY  HN          2.80    (#   1204:10  Unique         2.03, 2.40 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=1002,1023, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  MGX          67 TYR  HN          5.50    (#   1029:10  Unique         4.12, 5.80 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 68 GLY  HA+          68 GLY  HN          2.80    (#   1206:10  Unique         2.24, 2.56 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1025,1026,
 &end
#
# 69 VAL  HN           68 GLY  HN          2.80    (#   1203:10  Unique         2.45, 2.64 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=1030,1023, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  MGX          68 GLY  HN          5.50    (#   1208:10  Unique         4.20, 6.20 A)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          68 GLY  HN          5.50    (#   1480:10  Unique         4.20, 6.20 A)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  HB           69 VAL  HA          3.50    (#    110:20  Unique         3.02, 3.05 A)
 &rst
  ixpk= 110, nxpk= 20, iat=1034,1032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HA           69 VAL  HN          3.50    (#    562:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 562, nxpk= 10, iat=1032,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HA           69 VAL  MGX         3.50    (#    995:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 995, nxpk= 20, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  HA           69 VAL  MGY         3.50    (#   1208:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 70 MET  HA           69 VAL  HA          4.50    (#    120:20  Unique         4.32, 4.38 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1048,1032, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 70 MET  HB+          69 VAL  HA          4.50    (#    109:20  Unique         4.42, 5.15 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1050,1051,
 &end
#
# 69 VAL  HA           70 MET  HN          2.80    (#    139:10  Unique         2.16, 2.20 A)
 &rst
  ixpk= 139, nxpk= 10, iat=1032,1046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  HA           71 SER  HN          3.50    (#    997:10  Unique         2.91, 3.25 A)
 &rst
  ixpk= 997, nxpk= 10, iat=1032,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 69 VAL  HA           74 THR  MG2         4.50    (#   1289:20  Unique         3.90, 5.26 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1032,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1113,1114,1115,
 &end
#
# 69 VAL  HB           69 VAL  HN          2.80    (#    563:10  Unique         2.30, 2.34 A)
 &rst
  ixpk= 563, nxpk= 10, iat=1034,1030, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 69 VAL  HB           69 VAL  MGX         2.80    (#   1013:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          69 VAL  HB          3.50    (#   1491:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGX          69 VAL  HN          2.80    (#    565:10  Unique         2.65, 4.06 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          69 VAL  HN          3.50    (#    564:10  Unique         2.65, 4.06 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 70 MET  HN           69 VAL  HN          5.50    (#   1422:10  Unique         3.61, 4.18 A)
 &rst
  ixpk= 1422, nxpk= 10, iat=1046,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 VAL  MGX          70 MET  HN          4.50    (#    144:10  Unique         2.96, 4.63 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 71 SER  HN           69 VAL  MGX         5.50    (#   1006:20  Unique         2.48, 4.52 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGX          72 ILE  QG2         5.50    (#   1189:20  Unique         3.16, 6.29 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1036,1037,1038,1040,1041,1042,
 igr2=1080,1081,1082,
 &end
#
# 74 THR  HB           69 VAL  MGX         4.50    (#    998:20  Unique         2.49, 4.00 A)
 &rst
  ixpk= 998, nxpk= 20, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGX          74 THR  MG2         3.50    (#   1294:20  Unique         2.19, 3.83 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1036,1037,1038,1040,1041,1042,
 igr2=1113,1114,1115,
 &end
#
# 69 VAL  MGX          76 LEU  HG          4.50    (#   2600:20  Unique         4.32, 6.02 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 76 LEU  MDY          69 VAL  MGX         3.50    (#   1017:20  Unique         2.24, 5.43 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1149,1150,1151,1153,1154,1155,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          70 MET  HA          5.50    (#   2308:20  Unique         3.18, 5.59 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          70 MET  HN          3.50    (#    143:10  Unique         2.96, 4.63 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          71 SER  HN          2.80    (#    985:10  Unique         2.48, 4.52 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1036,1037,1038,1040,1041,1042,
 &end
#
# 74 THR  HB           69 VAL  MGY         3.50    (#   1207:20  Unique         2.49, 4.00 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
# 69 VAL  MGY          74 THR  MG2         2.80    (#   1293:20  Unique         2.19, 3.83 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1036,1037,1038,1040,1041,1042,
 igr2=1113,1114,1115,
 &end
#
# 7 THR  HA            8 ASP  HN          2.80    (#    540:10  Unique         2.43, 2.50 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 100, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 7 THR  HB            9 GLN  HE2+        4.50    (#   1047:10  Unique         2.14, 2.79 A)
 &rst
  ixpk= 1047, nxpk= 10, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 136, 137,
 &end
#
# 7 THR  HB            9 GLN  HE2-        5.50    (#   1055:10  Unique         2.14, 2.79 A)
 &rst
  ixpk= 1055, nxpk= 10, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 136, 137,
 &end
#
# 7 THR  HB            9 GLN  HN          4.50    (#    943:10  Unique         2.54, 2.79 A)
 &rst
  ixpk= 943, nxpk= 10, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7 THR  HN            7 THR  MG2         3.50    (#   1316:20  Unique         3.36, 4.09 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 104, 105, 106,
 &end
#
# 7 THR  HN            9 GLN  HB+         5.50    (#   1458:20  Unique         4.05, 5.32 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 128, 129,
 &end
#
# 7 THR  MG2           8 ASP  HN          4.50    (#    544:10  Unique         4.04, 4.56 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 104, 105, 106,
 &end
#
# 9 GLN  HB+           7 THR  MG2         4.50    (#   1322:20  Unique         4.84, 6.39 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 128, 129,
 igr2= 104, 105, 106,
 &end
#
# 70 MET  HB+          70 MET  HA          3.50    (#   2307:20  Unique         2.56, 2.83 A)
 &rst
  ixpk= 2307, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1050,1051,
 &end
#
# 70 MET  HB-          70 MET  HA          3.50    (#   2306:20  Unique         2.56, 2.83 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1050,1051,
 &end
#
# 70 MET  HA           70 MET  HG+         4.50    (#   2866:20  Unique         2.28, 3.25 A)
 &rst
  ixpk= 2866, nxpk= 20, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
# 70 MET  HA           70 MET  HG-         4.50    (#   2867:20  Unique         2.28, 3.25 A)
 &rst
  ixpk= 2867, nxpk= 20, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
# 70 MET  HA           70 MET  HN          3.50    (#    138:10  Unique         2.85, 2.92 A)
 &rst
  ixpk= 138, nxpk= 10, iat=1048,1046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71 SER  HN           70 MET  HA          4.50    (#   2301:20  Unique         2.74, 2.86 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=1063,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 70 MET  HG-          70 MET  HB+         2.80    (#   1779:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1053,1054,
 igr2=1050,1051,
 &end
#
# 70 MET  HB+          70 MET  HN          3.50    (#    142:10  Unique         2.47, 3.28 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1050,1051,
 &end
#
# 70 MET  HB-          70 MET  HG-         2.80    (#   2869:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1050,1051,
 igr2=1053,1054,
 &end
#
# 70 MET  HB-          70 MET  HN          4.50    (#    141:10  Unique         2.47, 3.28 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1050,1051,
 &end
#
# 70 MET  HB-          71 SER  HB+         5.50    (#     95:20  Unique         4.80, 6.31 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1050,1051,
 igr2=1067,1068,
 &end
#
# 70 MET  HB-          71 SER  HN          4.50    (#    983:10  Unique         4.07, 4.37 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1050,1051,
 &end
#
# 70 MET  HG+          70 MET  HN          4.50    (#    136:10  Unique         3.45, 4.43 A)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1053,1054,
 &end
#
# 70 MET  HG-          70 MET  HN          4.50    (#    140:10  Unique         3.45, 4.43 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1053,1054,
 &end
#
# 70 MET  HN           71 SER  HN          2.80    (#    979:10  Unique         1.80, 2.17 A)
 &rst
  ixpk= 979, nxpk= 10, iat=1046,1063, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 SER  HA           71 SER  HB+         2.80    (#     94:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 94, nxpk= 20, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1067,1068,
 &end
#
# 71 SER  HA           71 SER  HN          2.80    (#    981:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 981, nxpk= 10, iat=1065,1063, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 SER  HA           72 ILE  HN          2.80    (#    870:10  Unique         2.27, 2.37 A)
 &rst
  ixpk= 870, nxpk= 10, iat=1065,1074, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71 SER  HN           71 SER  HB+         3.50    (#     92:20  Unique         2.80, 3.38 A)
 &rst
  ixpk= 92, nxpk= 20, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1067,1068,
 &end
#
# 71 SER  HB+          72 ILE  HN          2.80    (#    871:10  Unique         2.62, 3.33 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1067,1068,
 &end
#
# 88 VAL  MGX          71 SER  HB+         4.50    (#     97:20  Unique         3.14, 5.48 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1328,1329,1330,1332,1333,1334,
 igr2=1067,1068,
 &end
#
# 71 SER  HB+          88 VAL  MGY         4.50    (#   1360:20  Unique         3.14, 5.48 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1067,1068,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 71 SER  HN           72 ILE  HN          5.50    (#   1529:10  Unique         4.18, 4.28 A)
 &rst
  ixpk= 1529, nxpk= 10, iat=1063,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 SER  HN           72 ILE  QG2         5.50    (#   1195:20  Unique         3.08, 4.31 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1080,1081,1082,
 &end
#
# 74 THR  MG2          71 SER  HN          5.50    (#   1455:10  Unique         4.86, 5.95 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1113,1114,1115,
 &end
#
# 88  VAL  QG 71  SER  QB  5.5  (# 3:2536:20)
 &rst
  ixpk= 3, nxpk= 2536, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1328,1329,1330,1332,1333,1334,
 igr2=1067,1068,
 &end
#
# 72 ILE  HB           72 ILE  HN          4.50    (#    872:10  Unique         3.77, 3.84 A)
 &rst
  ixpk= 872, nxpk= 10, iat=1078,1074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 ILE  QD1          72 ILE  HB          3.50    (#   1846:20  Unique         2.48, 3.76 A)
 &rst
  ixpk= 1846, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1087,1088,1089,
 &end
#
# 72 ILE  QG2          72 ILE  HB          2.80    (#   1855:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1080,1081,1082,
 &end
#
# 73 PRO  HA           72 ILE  HB          4.50    (#   1843:20  Unique         2.01, 2.12 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=1103,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 72 ILE  HG1+         72 ILE  HN          3.50    (#    873:10  Unique         2.33, 3.37 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1084,1085,
 &end
#
# 72 ILE  QD1          72 ILE  HG1+        3.50    (#   1548:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1087,1088,1089,
 igr2=1084,1085,
 &end
#
# 72 ILE  HG1+         72 ILE  QG2         4.50    (#   1186:20  Unique         2.42, 3.57 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1084,1085,
 igr2=1080,1081,1082,
 &end
#
# 72 ILE  HN           72 ILE  HG1-        3.50    (#   2696:20  Unique         2.33, 3.37 A)
 &rst
  ixpk= 2696, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1084,1085,
 &end
#
# 72 ILE  QD1          72 ILE  HG1-        3.50    (#   2702:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1087,1088,1089,
 igr2=1084,1085,
 &end
#
# 72 ILE  HN           72 ILE  QD1         4.50    (#    950:20  Unique         1.92, 3.54 A)
 &rst
  ixpk= 950, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1087,1088,1089,
 &end
#
# 72 ILE  QG2          72 ILE  HN          4.50    (#    875:10  Unique         3.22, 4.10 A)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1080,1081,1082,
 &end
#
# 72 ILE  QD1          72 ILE  QG2         2.80    (#   1188:20  Unique         2.22, 3.72 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1087,1088,1089,
 igr2=1080,1081,1082,
 &end
#
# 72 ILE  QD1          73 PRO  HA          5.50    (#    435:20  Unique         4.20, 5.69 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1087,1088,1089,
 &end
#
# 72 ILE  QG2          73 PRO  HA          4.50    (#    433:20  Unique         3.00, 4.06 A)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1080,1081,1082,
 &end
#
# 74 THR  HB           72 ILE  QG2         5.50    (#   1182:20  Unique         2.23, 4.20 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1080,1081,1082,
 &end
#
# 72 ILE  QG2          74 THR  HN          3.50    (#    576:10  Unique         2.65, 4.35 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1080,1081,1082,
 &end
#
# 73 PRO  HA           73 PRO  HB+         3.50    (#   1772:20  Unique         2.25, 2.55 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1100,1101,
 &end
#
# 73 PRO  HA           73 PRO  HB-         3.50    (#    896:20  Unique         2.25, 2.55 A)
 &rst
  ixpk= 896, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1100,1101,
 &end
#
# 73 PRO  HA           73 PRO  HG+         5.50    (#   1537:20  Unique         3.15, 3.86 A)
 &rst
  ixpk= 1537, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1097,1098,
 &end
#
# 73 PRO  HA           74 THR  HN          2.80    (#    568:10  Unique         2.20, 2.26 A)
 &rst
  ixpk= 568, nxpk= 10, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73 PRO  HB+          74 THR  HN          4.50    (#    546:10  Unique         3.03, 3.53 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1100,1101,
 &end
#
# 73 PRO  HB+          75 LEU  MDX         3.50    (#   2748:20  Unique         3.54, 5.72 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1100,1101,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
# 73 PRO  HB+          89 GLY  HA+         5.50    (#    672:20  Unique         3.68, 5.87 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1100,1101,
 igr2=1340,1341,
 &end
#
# 73 PRO  HB-          73 PRO  HD+         4.50    (#    327:20  Unique         2.93, 3.73 A)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1100,1101,
 igr2=1094,1095,
 &end
#
# 73 PRO  HB-          73 PRO  HD-         4.50    (#    402:20  Unique         2.93, 3.73 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1100,1101,
 igr2=1094,1095,
 &end
#
# 73 PRO  HB-          73 PRO  HG+         3.50    (#   1544:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1100,1101,
 igr2=1097,1098,
 &end
#
# 73 PRO  HB-          74 THR  HN          4.50    (#    572:10  Unique         3.03, 3.53 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1100,1101,
 &end
#
# 73 PRO  HG+          73 PRO  HD+         3.50    (#    397:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1097,1098,
 igr2=1094,1095,
 &end
#
# 89 GLY  HN           73 PRO  HD+         5.50    (#    332:20  Unique         3.07, 4.58 A)
 &rst
  ixpk= 332, nxpk= 20, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
# 73 PRO  HD-          73 PRO  HG+         3.50    (#   1542:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1094,1095,
 igr2=1097,1098,
 &end
#
# 89 GLY  HN           73 PRO  HD-         5.50    (#    403:20  Unique         3.07, 4.58 A)
 &rst
  ixpk= 403, nxpk= 20, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
# 73 PRO  HG+          89 GLY  HA+         4.50    (#    673:20  Unique         2.64, 4.71 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1097,1098,
 igr2=1340,1341,
 &end
#
# 73 PRO  HG+          89 GLY  HA-         5.50    (#   1993:20  Unique         2.64, 4.71 A)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1097,1098,
 igr2=1340,1341,
 &end
#
# 73 PRO  HG+          89 GLY  HN          4.50    (#   1098:10  Unique         3.02, 4.71 A)
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1097,1098,
 &end
#
# 90 PHE  HA           73 PRO  HG+         4.50    (#   1541:20  Unique         2.46, 3.42 A)
 &rst
  ixpk= 1541, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1097,1098,
 &end
#
# 73 PRO  HG+          90 PHE  HN          5.50    (#   1425:10  Unique         3.05, 3.92 A)
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1097,1098,
 &end
#
# 88  VAL  QG 73  PRO  QD  5.5  (# 2:2536:20)
 &rst
  ixpk= 2, nxpk= 2536, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1328,1329,1330,1332,1333,1334,
 igr2=1094,1095,
 &end
#
# 74 THR  HA           74 THR  HB          4.50    (#      5:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 5, nxpk= 20, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 74 THR  HA           74 THR  HN          3.50    (#    569:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 569, nxpk= 10, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HA           74 THR  MG2         3.50    (#   1285:20  Unique         2.51, 3.22 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1113,1114,1115,
 &end
#
# 74 THR  HA           75 LEU  HG          5.50    (#   1526:20  Unique         3.31, 3.63 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=1109,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 THR  HA           75 LEU  HN          2.80    (#     71:10  Unique         2.16, 2.21 A)
 &rst
  ixpk= 71, nxpk= 10, iat=1109,1121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 74 THR  HA           87 SER  HN          5.50    (#   1526:10  Unique         4.46, 4.60 A)
 &rst
  ixpk= 1526, nxpk= 10, iat=1109,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 VAL  HA           74 THR  HA          3.50    (#    424:20  Unique         2.19, 2.29 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1324,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HA           88 VAL  HN          5.50    (#   1261:10  Unique         4.80, 4.83 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=1109,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 THR  HA           88 VAL  MGX         4.50    (#   2534:20  Unique         3.27, 4.69 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  MGY          74 THR  HA          4.50    (#    429:20  Unique         3.27, 4.69 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1328,1329,1330,1332,1333,1334,
 &end
#
# 74 THR  HA           89 GLY  HN          3.50    (#   1093:10  Unique         2.76, 3.24 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=1109,1338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HB           74 THR  HN          3.50    (#    570:10  Unique         2.65, 2.74 A)
 &rst
  ixpk= 570, nxpk= 10, iat=1111,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74 THR  HB           74 THR  MG2         2.80    (#   1290:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1113,1114,1115,
 &end
#
# 74 THR  HB           75 LEU  HN          5.50    (#   1345:10  Unique         4.05, 4.20 A)
 &rst
  ixpk= 1345, nxpk= 10, iat=1111,1121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 THR  MG2          74 THR  HN          5.50    (#    575:10  Unique         4.35, 4.71 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1113,1114,1115,
 &end
#
# 75 LEU  HN           74 THR  HN          5.50    (#   1300:10  Unique         4.19, 4.26 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=1121,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LEU  HA           74 THR  MG2         5.50    (#   1281:20  Unique         4.23, 5.13 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1113,1114,1115,
 &end
#
# 75 LEU  HB-          74 THR  MG2         4.50    (#   1291:20  Unique         4.83, 6.25 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1125,1126,
 igr2=1113,1114,1115,
 &end
#
# 74 THR  MG2          75 LEU  HN          2.80    (#     75:10  Unique         2.42, 3.40 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1113,1114,1115,
 &end
#
# 76 LEU  HA           74 THR  MG2         4.50    (#   1283:20  Unique         4.52, 5.42 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1113,1114,1115,
 &end
#
# 76 LEU  HB+          74 THR  MG2         4.50    (#   1292:20  Unique         4.29, 6.25 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1144,1145,
 igr2=1113,1114,1115,
 &end
#
# 76 LEU  HN           74 THR  MG2         5.50    (#   1276:20  Unique         4.03, 5.17 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1113,1114,1115,
 &end
#
# 88 VAL  HA           74 THR  MG2         4.50    (#   1287:20  Unique         2.24, 4.00 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1113,1114,1115,
 &end
#
# 75 LEU  HA           75 LEU  HB+         3.50    (#   2971:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1125,1126,
 &end
#
# 75 LEU  HA           75 LEU  HB-         4.50    (#   2978:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2978, nxpk= 20, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1125,1126,
 &end
#
# 75 LEU  HG           75 LEU  HA          3.50    (#    594:20  Unique         2.50, 3.12 A)
 &rst
  ixpk= 594, nxpk= 20, iat=1128,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 LEU  HA           75 LEU  HN          3.50    (#     70:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 70, nxpk= 10, iat=1123,1121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 LEU  HA           75 LEU  MDX         3.50    (#   2752:20  Unique         2.25, 3.86 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
# 75 LEU  HA           76 LEU  HN          2.80    (#    522:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 522, nxpk= 10, iat=1123,1140, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 75 LEU  HB+          75 LEU  HN          3.50    (#     74:10  Unique         2.36, 3.12 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1125,1126,
 &end
#
# 75 LEU  MDX          75 LEU  HB+         3.50    (#   2967:20  Unique         2.41, 3.33 A)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1130,1131,1132,1134,1135,1136,
 igr2=1125,1126,
 &end
#
# 76 LEU  HN           75 LEU  HB+         4.50    (#   2972:20  Unique         3.51, 4.09 A)
 &rst
  ixpk= 2972, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1125,1126,
 &end
#
# 87 SER  HB-          75 LEU  HB+         4.50    (#   2970:20  Unique         2.14, 3.90 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1315,1316,
 igr2=1125,1126,
 &end
#
# 75 LEU  HB+          87 SER  HN          5.50    (#   1482:10  Unique         3.04, 3.99 A)
 &rst
  ixpk= 1482, nxpk= 10, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1125,1126,
 &end
#
# 75 LEU  HB-          75 LEU  HN          2.80    (#     73:10  Unique         2.36, 3.12 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1125,1126,
 &end
#
# 75 LEU  MDX          75 LEU  HB-         2.80    (#   2983:20  Unique         2.41, 3.33 A)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1130,1131,1132,1134,1135,1136,
 igr2=1125,1126,
 &end
#
# 76 LEU  HN           75 LEU  HB-         5.50    (#   2977:20  Unique         3.51, 4.09 A)
 &rst
  ixpk= 2977, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1125,1126,
 &end
#
# 75 LEU  HB-          87 SER  HB+         3.50    (#    135:20  Unique         2.14, 3.90 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1125,1126,
 igr2=1315,1316,
 &end
#
# 75 LEU  HB-          87 SER  HB-         3.50    (#    123:20  Unique         2.14, 3.90 A)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1125,1126,
 igr2=1315,1316,
 &end
#
# 75 LEU  HB-          87 SER  HN          4.50    (#    492:10  Unique         3.04, 3.99 A)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1125,1126,
 &end
#
# 75 LEU  HN           75 LEU  HG          4.50    (#   1522:20  Unique         2.74, 3.00 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=1121,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 LEU  HG           75 LEU  MDX         2.80    (#   2747:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2747, nxpk= 20, iat=1128,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
# 75 LEU  HN           75 LEU  MDX         4.50    (#   2755:20  Unique         3.71, 4.84 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
# 75 LEU  HN           76 LEU  HN          5.50    (#   1419:10  Unique         3.96, 4.11 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=1121,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 SER  HB+          75 LEU  HN          5.50    (#   1346:10  Unique         3.17, 4.07 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1315,1316,
 &end
#
# 87 SER  HB-          75 LEU  HN          4.50    (#   1347:10  Unique         3.17, 4.07 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1315,1316,
 &end
#
# 75 LEU  HN           87 SER  HN          3.50    (#    487:10  Unique         2.70, 2.86 A)
 &rst
  ixpk= 487, nxpk= 10, iat=1121,1311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88 VAL  HA           75 LEU  HN          4.50    (#     72:10  Unique         3.40, 3.51 A)
 &rst
  ixpk= 72, nxpk= 10, iat=1324,1121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 75 LEU  HN           88 VAL  MGX         5.50    (#   2583:20  Unique         4.12, 5.83 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  MGY          75 LEU  HN          4.50    (#     76:10  Unique         4.12, 5.83 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1328,1329,1330,1332,1333,1334,
 &end
#
# 75 LEU  HN           89 GLY  HN          5.50    (#   1536:10  Unique         4.59, 5.01 A)
 &rst
  ixpk= 1536, nxpk= 10, iat=1121,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LEU  MDX          76 LEU  HN          4.50    (#    514:10  Unique         3.82, 5.73 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1130,1131,1132,1134,1135,1136,
 &end
#
# 76 LEU  HA           76 LEU  HB+         3.50    (#   2932:20  Unique         2.61, 2.86 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1145,
 &end
#
# 76 LEU  HB-          76 LEU  HA          3.50    (#    528:20  Unique         2.61, 2.86 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1144,1145,
 &end
#
# 76 LEU  HA           76 LEU  MDY         3.50    (#   2686:20  Unique         2.21, 3.49 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 76 LEU  HA           77 VAL  HN          2.80    (#    453:10  Unique         2.21, 2.27 A)
 &rst
  ixpk= 453, nxpk= 10, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 76 LEU  HA           83 VAL  MGX         4.50    (#   1378:20  Unique         4.00, 6.10 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 76 LEU  HA           86 THR  HB          5.50    (#     19:20  Unique         4.95, 5.09 A)
 &rst
  ixpk= 19, nxpk= 20, iat=1142,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 LEU  HA           86 THR  MG2         4.50    (#   2566:20  Unique         3.70, 4.76 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1303,1304,1305,
 &end
#
# 87 SER  HN           76 LEU  HA          4.50    (#    526:20  Unique         3.34, 3.65 A)
 &rst
  ixpk= 526, nxpk= 20, iat=1311,1142, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 76 LEU  HB+          76 LEU  HN          4.50    (#    518:10  Unique         2.10, 2.87 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
# 76 LEU  HB+          76 LEU  MDY         3.50    (#   2692:20  Unique         2.33, 3.45 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1144,1145,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 76 LEU  HB+          77 VAL  HN          3.50    (#    458:10  Unique         2.73, 3.70 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1144,1145,
 &end
#
# 76 LEU  HB-          76 LEU  HN          2.80    (#    517:10  Unique         2.10, 2.87 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1144,1145,
 &end
#
# 77 VAL  HN           76 LEU  HB-         5.50    (#   2936:20  Unique         2.73, 3.70 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1144,1145,
 &end
#
# 76 LEU  HN           76 LEU  MDY         4.50    (#   2682:20  Unique         2.81, 4.54 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 77 VAL  HN           76 LEU  HN          5.50    (#   1420:10  Unique         4.56, 4.59 A)
 &rst
  ixpk= 1420, nxpk= 10, iat=1159,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HN           76 LEU  MDY         4.50    (#   2683:20  Unique         2.80, 4.84 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 83 VAL  HB           76 LEU  MDY         4.50    (#   2690:20  Unique         2.57, 5.92 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 86 THR  HB           76 LEU  MDY         4.50    (#   2688:20  Unique         4.23, 5.48 A)
 &rst
  ixpk= 2688, nxpk= 20, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
# 76 LEU  MDY          87 SER  HN          3.50    (#    494:10  Unique         3.05, 5.50 A)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1149,1150,1151,1153,1154,1155,
 &end
#
# 77 VAL  HA           77 VAL  HB          4.50    (#   2795:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=1161,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 77 VAL  HA           77 VAL  HN          3.50    (#    454:10  Unique         2.99, 3.01 A)
 &rst
  ixpk= 454, nxpk= 10, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 77 VAL  HA           77 VAL  MGX         3.50    (#   1225:20  Unique         2.35, 3.14 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  HA           77 VAL  MGY         3.50    (#   2505:20  Unique         2.35, 3.14 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  HA           78 LEU  HN          2.80    (#     43:10  Unique         2.02, 2.06 A)
 &rst
  ixpk= 43, nxpk= 10, iat=1161,1175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  HA           78 LEU  MDX         4.50    (#   2611:20  Unique         3.06, 5.65 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 77 VAL  HB           77 VAL  HN          2.80    (#    457:10  Unique         2.64, 2.76 A)
 &rst
  ixpk= 457, nxpk= 10, iat=1163,1159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  MGX          77 VAL  HB          2.80    (#   2796:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  MGY          77 VAL  HB          2.80    (#   2797:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1165,1166,1167,1169,1170,1171,
 &end
#
# 84 VAL  MGX          77 VAL  HB          3.50    (#   2798:20  Unique         2.22, 4.67 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 85 GLU  HN           77 VAL  HB          3.50    (#   2793:20  Unique         2.58, 2.77 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=1282,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 77 VAL  HN           77 VAL  MGX         4.50    (#   1221:20  Unique         2.66, 4.18 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  HN           77 VAL  MGY         3.50    (#   2508:20  Unique         2.66, 4.18 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  HN           78 LEU  HN          5.50    (#   1327:10  Unique         4.01, 4.15 A)
 &rst
  ixpk= 1327, nxpk= 10, iat=1159,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HN           78 LEU  MDX         5.50    (#   2618:20  Unique         3.50, 5.75 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 77 VAL  HN           83 VAL  MGX         4.50    (#   1375:20  Unique         3.15, 5.50 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  MGY          77 VAL  HN          5.50    (#   1290:10  Unique         3.15, 5.50 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 77 VAL  HN           84 VAL  HN          5.50    (#   1404:10  Unique         3.79, 3.91 A)
 &rst
  ixpk= 1404, nxpk= 10, iat=1159,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 VAL  HN           84 VAL  MGX         4.50    (#    962:20  Unique         4.10, 6.24 A)
 &rst
  ixpk= 962, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 77 VAL  HN           85 GLU  HB+         4.50    (#   1662:20  Unique         3.19, 4.07 A)
 &rst
  ixpk= 1662, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1286,1287,
 &end
#
# 85 GLU  HB-          77 VAL  HN          5.50    (#    456:10  Unique         3.19, 4.07 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1286,1287,
 &end
#
# 77 VAL  HN           85 GLU  HN          2.80    (#    743:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 743, nxpk= 10, iat=1159,1282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 VAL  MGX          78 LEU  HN          3.50    (#     42:10  Unique         2.99, 4.49 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  MGX          79 LYS  HB+         5.50    (#   1062:20  Unique         3.52, 7.98 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1165,1166,1167,1169,1170,1171,
 igr2=1198,1199,
 &end
#
# 84 VAL  HN           77 VAL  MGX         4.50    (#   1217:20  Unique         4.38, 5.87 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 84 VAL  MGX          77 VAL  MGX         2.80    (#   1234:20  Unique         2.67, 6.14 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 85 GLU  HB-          77 VAL  MGX         3.50    (#   1232:20  Unique         2.59, 4.44 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1286,1287,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 85 GLU  HG+          77 VAL  MGX         5.50    (#   1231:20  Unique         3.75, 5.79 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1289,1290,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 78 LEU  HN           77 VAL  MGY         4.50    (#   2509:20  Unique         2.99, 4.49 A)
 &rst
  ixpk= 2509, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 77 VAL  MGY          85 GLU  HB+         3.50    (#   1655:20  Unique         2.59, 4.44 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1165,1166,1167,1169,1170,1171,
 igr2=1286,1287,
 &end
#
# 85 GLU  HB-          77 VAL  MGY         3.50    (#   2502:20  Unique         2.59, 4.44 A)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1286,1287,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 85 GLU  HG+          77 VAL  MGY         4.50    (#   2501:20  Unique         3.75, 5.79 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1289,1290,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
# 78 LEU  HA           78 LEU  HB+         3.50    (#   2759:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1179,1180,
 &end
#
# 78 LEU  HA           78 LEU  HB-         4.50    (#   2933:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2933, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1179,1180,
 &end
#
# 78 LEU  HA           78 LEU  HG          3.50    (#   1084:20  Unique         2.44, 2.55 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=1177,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78 LEU  HA           78 LEU  HN          3.50    (#     37:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 37, nxpk= 10, iat=1177,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78 LEU  HA           78 LEU  MDY         3.50    (#   2613:20  Unique         2.87, 4.35 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  HA           79 LYS  HB-         5.50    (#   1675:20  Unique         4.26, 5.07 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1198,1199,
 &end
#
# 78 LEU  HA           79 LYS  HN          2.80    (#    596:10  Unique         2.31, 2.35 A)
 &rst
  ixpk= 596, nxpk= 10, iat=1177,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 78 LEU  HA           81 GLY  HN          5.50    (#   1525:10  Unique         5.17, 5.29 A)
 &rst
  ixpk= 1525, nxpk= 10, iat=1177,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 LEU  HA           82 GLU  HN          4.50    (#    478:10  Unique         4.39, 4.52 A)
 &rst
  ixpk= 478, nxpk= 10, iat=1177,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  HA           78 LEU  HA          3.50    (#    516:20  Unique         2.09, 2.25 A)
 &rst
  ixpk= 516, nxpk= 20, iat=1252,1177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HN           78 LEU  HA          4.50    (#    514:20  Unique         4.37, 4.48 A)
 &rst
  ixpk= 514, nxpk= 20, iat=1250,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 LEU  HA           83 VAL  MGX         4.50    (#   1379:20  Unique         4.03, 5.35 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 78 LEU  HA           83 VAL  MGY         4.50    (#   2471:20  Unique         4.03, 5.35 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 78 LEU  HA           84 VAL  HN          3.50    (#    435:10  Unique         2.62, 2.74 A)
 &rst
  ixpk= 435, nxpk= 10, iat=1177,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78 LEU  HA           84 VAL  MGX         4.50    (#    958:20  Unique         2.52, 4.26 A)
 &rst
  ixpk= 958, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  MGY          78 LEU  HA          4.50    (#    521:20  Unique         2.52, 4.26 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 78 LEU  HA           85 GLU  HN          4.50    (#    744:10  Unique         4.11, 4.17 A)
 &rst
  ixpk= 744, nxpk= 10, iat=1177,1282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 LEU  HN           78 LEU  HB+         4.50    (#   2757:20  Unique         2.51, 3.24 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1179,1180,
 &end
#
# 78 LEU  MDY          78 LEU  HB+         2.80    (#   2763:20  Unique         2.34, 3.29 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1179,1180,
 &end
#
# 79 LYS  HN           78 LEU  HB+         4.50    (#   2756:20  Unique         2.59, 3.20 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1179,1180,
 &end
#
# 78 LEU  HB+          81 GLY  HN          4.50    (#     58:10  Unique         3.34, 4.42 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1179,1180,
 &end
#
# 82 GLU  HN           78 LEU  HB+         5.50    (#   2945:20  Unique         3.53, 4.42 A)
 &rst
  ixpk= 2945, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1179,1180,
 &end
#
# 83 VAL  HA           78 LEU  HB+         4.50    (#   2760:20  Unique         3.27, 4.00 A)
 &rst
  ixpk= 2760, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1179,1180,
 &end
#
# 78 LEU  HB-          78 LEU  HN          3.50    (#     40:10  Unique         2.51, 3.24 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1179,1180,
 &end
#
# 78 LEU  HB-          79 LYS  HN          4.50    (#    600:10  Unique         2.59, 3.20 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1179,1180,
 &end
#
# 83 VAL  HA           78 LEU  HB-         4.50    (#   2948:20  Unique         3.27, 4.00 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1179,1180,
 &end
#
# 78 LEU  HN           78 LEU  HG          4.50    (#   1081:20  Unique         3.52, 3.74 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=1175,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HN           78 LEU  HG          4.50    (#   1083:20  Unique         3.73, 4.36 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=1194,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  HA           78 LEU  HG          3.50    (#   1085:20  Unique         2.02, 2.12 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=1252,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78 LEU  HG           83 VAL  HB          4.50    (#   2837:20  Unique         2.40, 3.68 A)
 &rst
  ixpk= 2837, nxpk= 20, iat=1182,1254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  HN           78 LEU  HG          5.50    (#   1082:20  Unique         3.52, 3.70 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1266,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 LEU  HN           78 LEU  MDX         3.50    (#   2625:20  Unique         2.60, 4.54 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  HN           84 VAL  MGX         5.50    (#    966:20  Unique         3.94, 5.86 A)
 &rst
  ixpk= 966, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 81 GLY  HA+          78 LEU  MDY         4.50    (#   2607:20  Unique         4.03, 7.40 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1230,1231,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  MDY          81 GLY  HA-         4.50    (#   2004:20  Unique         4.03, 7.40 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,
 igr2=1230,1231,
 &end
#
# 81 GLY  HN           78 LEU  MDY         5.50    (#   2624:20  Unique         4.33, 6.63 A)
 &rst
  ixpk= 2624, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  MDY          82 GLU  HA          4.50    (#   2284:20  Unique         3.12, 5.71 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  MDY          82 GLU  HN          5.50    (#    496:10  Unique         4.08, 6.28 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  MDY          83 VAL  HA          3.50    (#     89:20  Unique         2.54, 4.24 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 LEU  MDY          83 VAL  HN          4.50    (#    228:10  Unique         2.82, 5.22 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 84 VAL  HN           78 LEU  MDY         5.50    (#   2623:20  Unique         3.62, 5.79 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 LYS  HA           79 LYS  HB+         3.50    (#   1055:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1198,1199,
 &end
#
# 79 LYS  HA           79 LYS  HB-         3.50    (#   1674:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1198,1199,
 &end
#
# 79 LYS  HA           79 LYS  HD+         4.50    (#   1519:20  Unique         3.07, 4.00 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1204,1205,
 &end
#
# 79 LYS  HA           79 LYS  HG+         3.50    (#   1571:20  Unique         2.12, 3.09 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1201,1202,
 &end
#
# 79 LYS  HA           79 LYS  HN          3.50    (#    597:10  Unique         2.87, 2.94 A)
 &rst
  ixpk= 597, nxpk= 10, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 79 LYS  HA           80 ASP  HA          4.50    (#   2085:20  Unique         4.22, 4.30 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=1196,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HA           80 ASP  HN          2.80    (#     21:10  Unique         2.06, 2.15 A)
 &rst
  ixpk= 21, nxpk= 10, iat=1196,1216, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 LYS  HA           81 GLY  HN          4.50    (#     52:10  Unique         3.70, 3.88 A)
 &rst
  ixpk= 52, nxpk= 10, iat=1196,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HE+          79 LYS  HB+         5.50    (#   1058:20  Unique         2.10, 3.99 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1207,1208,
 igr2=1198,1199,
 &end
#
# 79 LYS  HN           79 LYS  HB+         4.50    (#   1056:20  Unique         2.66, 3.39 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1198,1199,
 &end
#
# 79 LYS  HB+          80 ASP  HN          4.50    (#     26:10  Unique         2.88, 3.76 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1198,1199,
 &end
#
# 84 VAL  MGX          79 LYS  HB+         4.50    (#   1063:20  Unique         2.44, 5.11 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1198,1199,
 &end
#
# 84 VAL  MGY          79 LYS  HB+         3.50    (#   1060:20  Unique         2.44, 5.11 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1198,1199,
 &end
#
# 79 LYS  HE+          79 LYS  HB-         4.50    (#   1673:20  Unique         2.10, 3.99 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,
 igr2=1198,1199,
 &end
#
# 79 LYS  HB-          79 LYS  HN          3.50    (#    599:10  Unique         2.66, 3.39 A)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1198,1199,
 &end
#
# 80 ASP  HN           79 LYS  HB-         5.50    (#   1677:20  Unique         2.88, 3.76 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1198,1199,
 &end
#
# 79 LYS  HB-          84 VAL  MGX         3.50    (#    970:20  Unique         2.44, 5.11 A)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1198,1199,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 79 LYS  HN           79 LYS  HD+         5.50    (#   1520:20  Unique         3.50, 4.31 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1204,1205,
 &end
#
# 84 VAL  MGX          79 LYS  HD+         4.50    (#   1513:20  Unique         2.15, 4.01 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1204,1205,
 &end
#
# 84 VAL  MGY          79 LYS  HD+         3.50    (#   1512:20  Unique         2.15, 4.01 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1204,1205,
 &end
#
# 79 LYS  HG+          79 LYS  HE+         3.50    (#   1946:20  Unique         2.55, 3.54 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1201,1202,
 igr2=1207,1208,
 &end
#
# 79 LYS  HG-          79 LYS  HE+         3.50    (#   1945:20  Unique         2.55, 3.54 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1201,1202,
 igr2=1207,1208,
 &end
#
# 79 LYS  HG+          80 ASP  HA          5.50    (#   2089:20  Unique         5.81, 6.24 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1201,1202,
 &end
#
# 84 VAL  MGX          79 LYS  HG+         4.50    (#   1569:20  Unique         2.61, 5.31 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1201,1202,
 &end
#
# 84 VAL  MGX          79 LYS  HG-         4.50    (#   1568:20  Unique         2.61, 5.31 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1201,1202,
 &end
#
# 79 LYS  HN           80 ASP  HN          5.50    (#   1319:10  Unique         4.06, 4.19 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=1194,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 LYS  HN           81 GLY  HN          5.50    (#   1333:10  Unique         3.19, 3.35 A)
 &rst
  ixpk= 1333, nxpk= 10, iat=1194,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 GLU  HN           79 LYS  HN          2.80    (#    595:10  Unique         2.68, 2.81 A)
 &rst
  ixpk= 595, nxpk= 10, iat=1235,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 LYS  HN           83 VAL  HA          4.50    (#     76:20  Unique         3.91, 4.01 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1194,1252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 LYS  HN           84 VAL  HN          5.50    (#   1405:10  Unique         4.44, 4.54 A)
 &rst
  ixpk= 1405, nxpk= 10, iat=1194,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 VAL  MGX          79 LYS  HN          3.50    (#    603:10  Unique         3.24, 4.65 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  MGY          79 LYS  HN          3.50    (#    593:10  Unique         3.24, 4.65 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 8 ASP  HB+           8 ASP  HA          3.50    (#   2134:20  Unique         2.20, 2.49 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 116, 117,
 &end
#
# 8 ASP  HA            8 ASP  HN          2.80    (#    541:10  Unique         2.78, 2.81 A)
 &rst
  ixpk= 541, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 8 ASP  HA            9 GLN  HN          5.50    (#    951:10  Unique         3.27, 3.43 A)
 &rst
  ixpk= 951, nxpk= 10, iat= 114, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 ASP  HN            8 ASP  HB+         3.50    (#   1901:20  Unique         2.00, 2.76 A)
 &rst
  ixpk= 1901, nxpk= 20, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 116, 117,
 &end
#
# 9 GLN  HA            8 ASP  HB+         5.50    (#   1904:20  Unique         4.86, 5.52 A)
 &rst
  ixpk= 1904, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 116, 117,
 &end
#
# 9 GLN  HN            8 ASP  HB+         4.50    (#   1900:20  Unique         3.49, 4.14 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 116, 117,
 &end
#
# 8 ASP  HN            9 GLN  HB+         5.50    (#   1460:20  Unique         4.83, 5.76 A)
 &rst
  ixpk= 1460, nxpk= 20, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 128, 129,
 &end
#
# 8 ASP  HN            9 GLN  HN          3.50    (#    949:10  Unique         2.65, 2.80 A)
 &rst
  ixpk= 949, nxpk= 10, iat= 112, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 ASP  HB+          80 ASP  HA          3.50    (#   2088:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1220,1221,
 &end
#
# 80 ASP  HA           80 ASP  HB-         3.50    (#   3124:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 3124, nxpk= 20, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1220,1221,
 &end
#
# 80 ASP  HA           80 ASP  HN          2.80    (#     22:10  Unique         2.16, 2.20 A)
 &rst
  ixpk= 22, nxpk= 10, iat=1218,1216, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 81 GLY  HA+          80 ASP  HA          5.50    (#   2086:20  Unique         4.47, 4.65 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
# 81 GLY  HN           80 ASP  HA          3.50    (#   2083:20  Unique         2.95, 3.31 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=1228,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 80 ASP  HB+          80 ASP  HN          5.50    (#     24:10  Unique         2.74, 3.25 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1220,1221,
 &end
#
# 80 ASP  HB-          80 ASP  HN          4.50    (#     23:10  Unique         2.74, 3.25 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1220,1221,
 &end
#
# 80 ASP  HB-          81 GLY  HN          5.50    (#   1334:10  Unique         3.23, 4.05 A)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1220,1221,
 &end
#
# 80 ASP  HN           81 GLY  HN          3.50    (#     53:10  Unique         2.99, 3.18 A)
 &rst
  ixpk= 53, nxpk= 10, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 81 GLY  HA+          81 GLY  HN          2.80    (#     57:10  Unique         2.39, 2.78 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1230,1231,
 &end
#
# 81 GLY  HA+          82 GLU  HN          3.50    (#    481:10  Unique         3.26, 3.42 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1230,1231,
 &end
#
# 81 GLY  HA-          81 GLY  HN          2.80    (#     55:10  Unique         2.39, 2.78 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1230,1231,
 &end
#
# 81 GLY  HA-          82 GLU  HN          3.50    (#    480:10  Unique         3.26, 3.42 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1230,1231,
 &end
#
# 81 GLY  HN           82 GLU  HN          3.50    (#    476:10  Unique         1.77, 2.00 A)
 &rst
  ixpk= 476, nxpk= 10, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 84 VAL  MGX          81 GLY  HN          5.50    (#     27:10  Unique         5.98, 7.66 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 82 GLU  HA           82 GLU  HB+         3.50    (#   2812:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1239,1240,
 &end
#
# 82 GLU  HA           82 GLU  HB-         3.50    (#   3009:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 3009, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1239,1240,
 &end
#
# 82 GLU  HG+          82 GLU  HA          4.50    (#   2289:20  Unique         2.54, 3.74 A)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1242,1243,
 &end
#
# 82 GLU  HG-          82 GLU  HA          3.50    (#   2290:20  Unique         2.54, 3.74 A)
 &rst
  ixpk= 2290, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1242,1243,
 &end
#
# 82 GLU  HA           82 GLU  HN          3.50    (#    479:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 479, nxpk= 10, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 82 GLU  HA           83 VAL  HN          2.80    (#    222:10  Unique         2.18, 2.24 A)
 &rst
  ixpk= 222, nxpk= 10, iat=1237,1250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 82 GLU  HA           83 VAL  MGY         4.50    (#   2472:20  Unique         3.58, 5.66 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 82 GLU  HB+          82 GLU  HN          2.80    (#    495:10  Unique         2.54, 3.35 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1239,1240,
 &end
#
# 83 VAL  HN           82 GLU  HB+         3.50    (#   2811:20  Unique         2.80, 3.50 A)
 &rst
  ixpk= 2811, nxpk= 20, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1239,1240,
 &end
#
# 84 VAL  MGY          82 GLU  HB+         4.50    (#   2813:20  Unique         3.21, 7.12 A)
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1239,1240,
 &end
#
# 82 GLU  HB-          82 GLU  HN          2.80    (#    483:10  Unique         2.54, 3.35 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1239,1240,
 &end
#
# 82 GLU  HN           82 GLU  HG+         3.50    (#    834:20  Unique         2.27, 2.89 A)
 &rst
  ixpk= 834, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1242,1243,
 &end
#
# 82 GLU  HG+          83 VAL  HN          4.50    (#    224:10  Unique         3.78, 4.44 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1242,1243,
 &end
#
# 84 VAL  MGY          82 GLU  HG+         4.50    (#    838:20  Unique         2.65, 5.58 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1242,1243,
 &end
#
# 82 GLU  HN           82 GLU  HG-         3.50    (#    835:20  Unique         2.27, 2.89 A)
 &rst
  ixpk= 835, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1242,1243,
 &end
#
# 83 VAL  HN           82 GLU  HG-         4.50    (#    833:20  Unique         3.78, 4.44 A)
 &rst
  ixpk= 833, nxpk= 20, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1242,1243,
 &end
#
# 84 VAL  MGY          82 GLU  HG-         4.50    (#    839:20  Unique         2.65, 5.58 A)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1242,1243,
 &end
#
# 83 VAL  HN           82 GLU  HN          4.50    (#   1413:10  Unique         4.37, 4.42 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=1250,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  HA           83 VAL  HB          3.50    (#   2832:20  Unique         2.33, 2.74 A)
 &rst
  ixpk= 2832, nxpk= 20, iat=1252,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HA           83 VAL  HN          3.50    (#    223:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 223, nxpk= 10, iat=1252,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HA           83 VAL  MGX         3.50    (#   1380:20  Unique         2.44, 3.37 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  HA           83 VAL  MGY         2.80    (#   2473:20  Unique         2.44, 3.37 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  HA           84 VAL  HA          4.50    (#   2178:20  Unique         4.38, 4.40 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=1252,1268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  HA           84 VAL  HN          2.80    (#    438:10  Unique         2.04, 2.07 A)
 &rst
  ixpk= 438, nxpk= 10, iat=1252,1266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 83 VAL  HA           84 VAL  MGX         4.50    (#    955:20  Unique         3.66, 4.91 A)
 &rst
  ixpk= 955, nxpk= 20, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 83 VAL  HA           85 GLU  HN          3.50    (#    747:10  Unique         3.60, 3.62 A)
 &rst
  ixpk= 747, nxpk= 10, iat=1252,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 83 VAL  HB           83 VAL  HN          2.80    (#    225:10  Unique         2.43, 2.61 A)
 &rst
  ixpk= 225, nxpk= 10, iat=1254,1250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 83 VAL  MGY          83 VAL  HB          2.80    (#   2838:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 2838, nxpk= 20, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  HB           84 VAL  HN          4.50    (#   1409:10  Unique         3.88, 3.99 A)
 &rst
  ixpk= 1409, nxpk= 10, iat=1254,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  MGX          83 VAL  HN          3.50    (#    227:10  Unique         1.86, 3.69 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  MGY          83 VAL  HN          2.80    (#    226:10  Unique         1.86, 3.69 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 84 VAL  HN           83 VAL  HN          4.50    (#   1365:10  Unique         4.52, 4.53 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=1266,1250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83 VAL  MGX          84 VAL  HN          2.80    (#    440:10  Unique         2.65, 4.17 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  MGX          85 GLU  HN          2.80    (#    750:10  Unique         2.73, 4.76 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 83 VAL  MGY          84 VAL  HN          4.50    (#    439:10  Unique         2.65, 4.17 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1256,1257,1258,1260,1261,1262,
 &end
#
# 85 GLU  HN           83 VAL  MGY         5.50    (#   2468:20  Unique         2.73, 4.76 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
# 84 VAL  HB           84 VAL  HA          2.80    (#   2180:20  Unique         2.47, 2.51 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 84 VAL  HA           84 VAL  HN          3.50    (#    437:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 437, nxpk= 10, iat=1268,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 84 VAL  HA           84 VAL  MGX         3.50    (#    956:20  Unique         2.28, 3.48 A)
 &rst
  ixpk= 956, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  HA           85 GLU  HN          3.50    (#    746:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 746, nxpk= 10, iat=1268,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 84 VAL  HB           84 VAL  HN          4.50    (#   1408:10  Unique         2.24, 3.63 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=1270,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  HB           84 VAL  MGX         2.80    (#    968:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  MGY          84 VAL  HB          2.80    (#   1644:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  HB           85 GLU  HN          4.50    (#    786:10  Unique         3.05, 3.70 A)
 &rst
  ixpk= 786, nxpk= 10, iat=1270,1282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 VAL  MGX          84 VAL  HN          2.80    (#    441:10  Unique         2.40, 3.54 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  HN           84 VAL  MGY         3.50    (#   1371:20  Unique         2.40, 3.54 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  HN           85 GLU  HN          2.80    (#    742:10  Unique         1.82, 1.86 A)
 &rst
  ixpk= 742, nxpk= 10, iat=1266,1282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 84 VAL  MGX          85 GLU  HB+         4.50    (#   1654:20  Unique         2.49, 5.69 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1286,1287,
 &end
#
# 85 GLU  HG+          84 VAL  MGX         4.50    (#    967:20  Unique         2.87, 6.56 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1289,1290,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
# 84 VAL  MGX          85 GLU  HG-         4.50    (#   1734:20  Unique         2.87, 6.56 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1272,1273,1274,1276,1277,1278,
 igr2=1289,1290,
 &end
#
# 84 VAL  MGX          85 GLU  HN          2.80    (#    752:10  Unique         2.30, 4.15 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1272,1273,1274,1276,1277,1278,
 &end
#
# 85 GLU  HA           85 GLU  HB+         4.50    (#   1659:20  Unique         2.52, 2.84 A)
 &rst
  ixpk= 1659, nxpk= 20, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1286,1287,
 &end
#
# 85 GLU  HB-          85 GLU  HA          4.50    (#   2316:20  Unique         2.52, 2.84 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1286,1287,
 &end
#
# 85 GLU  HA           85 GLU  HG+         4.50    (#   1742:20  Unique         2.45, 3.31 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1289,1290,
 &end
#
# 85 GLU  HA           85 GLU  HN          3.50    (#    745:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 745, nxpk= 10, iat=1284,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85 GLU  HA           86 THR  HB          4.50    (#     17:20  Unique         4.19, 4.38 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1284,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 GLU  HA           86 THR  HN          2.80    (#    791:10  Unique         2.25, 2.32 A)
 &rst
  ixpk= 791, nxpk= 10, iat=1284,1297, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 85 GLU  HG+          85 GLU  HB+         3.50    (#   1658:20  Unique         2.35, 2.58 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1289,1290,
 igr2=1286,1287,
 &end
#
# 85 GLU  HN           85 GLU  HB+         4.50    (#   1660:20  Unique         2.81, 3.25 A)
 &rst
  ixpk= 1660, nxpk= 20, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1286,1287,
 &end
#
# 85 GLU  HB+          86 THR  HN          3.50    (#    795:10  Unique         2.43, 3.46 A)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1286,1287,
 &end
#
# 99 LEU  MDY          85 GLU  HB+         4.50    (#   1656:20  Unique         3.09, 5.87 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1286,1287,
 &end
#
# 85 GLU  HB-          86 THR  HN          3.50    (#    794:10  Unique         2.43, 3.46 A)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1286,1287,
 &end
#
# 85 GLU  HB-          99 LEU  MDY         3.50    (#   2652:20  Unique         3.09, 5.87 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1286,1287,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 85 GLU  HG+          86 THR  HN          5.50    (#    818:10  Unique         2.29, 3.86 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1289,1290,
 &end
#
# 85 GLU  HG+          99 LEU  MDX         4.50    (#   2662:20  Unique         2.50, 5.58 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1289,1290,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 99 LEU  MDY          85 GLU  HG+         4.50    (#   1739:20  Unique         2.50, 5.58 A)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1289,1290,
 &end
#
# 85 GLU  HG-          86 THR  HN          4.50    (#    793:10  Unique         2.29, 3.86 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1289,1290,
 &end
#
# 85 GLU  HN           86 THR  HN          5.50    (#    817:10  Unique         4.43, 4.48 A)
 &rst
  ixpk= 817, nxpk= 10, iat=1282,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 THR  HB           86 THR  HN          2.80    (#    792:10  Unique         2.71, 2.78 A)
 &rst
  ixpk= 792, nxpk= 10, iat=1301,1297, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 86 THR  MG2          86 THR  HB          2.80    (#     15:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1303,1304,1305,
 &end
#
# 86 THR  HB           87 SER  HN          4.50    (#    489:10  Unique         4.14, 4.20 A)
 &rst
  ixpk= 489, nxpk= 10, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 THR  MG2          86 THR  HN          4.50    (#    796:10  Unique         4.39, 4.76 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1303,1304,1305,
 &end
#
# 86 THR  HN           87 SER  HN          5.50    (#   1528:10  Unique         4.05, 4.19 A)
 &rst
  ixpk= 1528, nxpk= 10, iat=1297,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 SER  HN           86 THR  MG2         3.50    (#   2565:20  Unique         2.79, 3.57 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1303,1304,1305,
 &end
#
# 88 VAL  HN           86 THR  MG2         5.50    (#   2564:20  Unique         3.25, 5.45 A)
 &rst
  ixpk= 2564, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1303,1304,1305,
 &end
#
# 87 SER  HA           88 VAL  HN          2.80    (#      1:10  Unique         2.20, 2.33 A)
 &rst
  ixpk= 1, nxpk= 10, iat=1313,1322, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 87 SER  HA           88 VAL  MGY         4.50    (#   1359:20  Unique         3.25, 5.55 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 87 SER  HB+          87 SER  HN          3.50    (#    491:10  Unique         2.58, 3.25 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1315,1316,
 &end
#
# 87 SER  HB+          88 VAL  HN          4.50    (#      2:10  Unique         2.80, 3.63 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1315,1316,
 &end
#
# 91 LYS  HG+          87 SER  HB+         5.50    (#    134:20  Unique         3.44, 5.39 A)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1372,1373,
 igr2=1315,1316,
 &end
#
# 99 LEU  MDX          87 SER  HB+         3.50    (#    130:20  Unique         3.13, 5.56 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1315,1316,
 &end
#
# 87 SER  HB+          99 LEU  MDY         4.50    (#   2649:20  Unique         3.13, 5.56 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1315,1316,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 87 SER  HB-          87 SER  HN          2.80    (#    490:10  Unique         2.58, 3.25 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1315,1316,
 &end
#
# 87 SER  HB-          88 VAL  HN          5.50    (#      6:10  Unique         2.80, 3.63 A)
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1315,1316,
 &end
#
# 87 SER  HB-          96 LEU  MDY         4.50    (#   2480:20  Unique         3.81, 6.69 A)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1315,1316,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 87 SER  HB-          99 LEU  MDX         4.50    (#   2660:20  Unique         3.13, 5.56 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1315,1316,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 87 SER  HB-          99 LEU  MDY         4.50    (#   2648:20  Unique         3.13, 5.56 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1315,1316,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 87 SER  HN           88 VAL  HN          5.50    (#   1263:10  Unique         3.88, 4.27 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=1311,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 SER  HN           88 VAL  MGY         4.50    (#   1353:20  Unique         4.20, 6.17 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 88  VAL  QG 87  SER  QB  4.5  (# 1:2536:20)
 &rst
  ixpk= 1, nxpk= 2536, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1328,1329,1330,1332,1333,1334,
 igr2=1315,1316,
 &end
#
# 88 VAL  HA           88 VAL  MGX         3.50    (#   2535:20  Unique         2.52, 3.18 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  HA           88 VAL  MGY         3.50    (#   1357:20  Unique         2.52, 3.18 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  HA           89 GLY  HA+         4.50    (#    669:20  Unique         4.44, 4.52 A)
 &rst
  ixpk= 669, nxpk= 20, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1340,1341,
 &end
#
# 88 VAL  HA           89 GLY  HN          2.80    (#   1094:10  Unique         2.21, 2.25 A)
 &rst
  ixpk= 1094, nxpk= 10, iat=1324,1338, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88 VAL  HB           88 VAL  HN          2.80    (#      3:10  Unique         2.41, 2.63 A)
 &rst
  ixpk= 3, nxpk= 10, iat=1326,1322, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88 VAL  HB           88 VAL  MGY         2.80    (#   1361:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  MGX          88 VAL  HN          4.50    (#      5:10  Unique         2.26, 4.13 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  MGY          88 VAL  HN          2.80    (#      4:10  Unique         2.26, 4.13 A)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  HN           89 GLY  HN          5.50    (#   1535:10  Unique         4.38, 4.47 A)
 &rst
  ixpk= 1535, nxpk= 10, iat=1322,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91 LYS  HE-          88 VAL  HN          5.50    (#   1260:10  Unique         2.88, 4.60 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1378,1379,
 &end
#
# 88 VAL  MGX          89 GLY  HN          2.80    (#   1100:10  Unique         2.58, 4.07 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1328,1329,1330,1332,1333,1334,
 &end
#
# 88 VAL  MGY          89 GLY  HN          4.50    (#   1099:10  Unique         2.58, 4.07 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1328,1329,1330,1332,1333,1334,
 &end
#
# 89 GLY  HN           89 GLY  HA+         3.50    (#    668:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 668, nxpk= 20, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1340,1341,
 &end
#
# 90 PHE  HN           89 GLY  HA+         3.50    (#    667:20  Unique         2.37, 2.58 A)
 &rst
  ixpk= 667, nxpk= 20, iat=1345,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1340,1341,
 &end
#
# 89 GLY  HA-          89 GLY  HN          2.80    (#   1095:10  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1340,1341,
 &end
#
# 90 PHE  HB+          89 GLY  HA-         4.50    (#   1995:20  Unique         4.60, 4.90 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1349,1350,
 igr2=1340,1341,
 &end
#
# 89 GLY  HA-          90 PHE  HN          2.80    (#    709:10  Unique         2.37, 2.58 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1340,1341,
 &end
#
# 89 GLY  HN           90 PHE  HN          4.50    (#    707:10  Unique         4.30, 4.40 A)
 &rst
  ixpk= 707, nxpk= 10, iat=1338,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9 GLN  HA            9 GLN  HB+         2.80    (#   1467:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1467, 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  HN          3.50    (#    944:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 944, nxpk= 10, iat= 126, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 9 GLN  HB+           9 GLN  HN          2.80    (#    947:10  Unique         2.36, 3.08 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 128, 129,
 &end
#
# 9 GLN  HG-           9 GLN  HN          4.50    (#    946:10  Unique         2.98, 3.47 A)
 &rst
  ixpk= 946, 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    (#    707:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 707, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1349,1350,
 &end
#
# 90 PHE  HA           90 PHE  HB-         3.50    (#    708:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 708, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1349,1350,
 &end
#
# 90 PHE  HD           90 PHE  HA          3.50    (#    159:20  Unique         2.76, 3.61 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1353,1361,
 &end
#
# 90 PHE  HA           90 PHE  HN          3.50    (#    710:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 710, nxpk= 10, iat=1347,1345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 90 PHE  HA           91 LYS  HA          4.50    (#   2051:20  Unique         4.47, 4.50 A)
 &rst
  ixpk= 2051, nxpk= 20, iat=1347,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 91 LYS  HG+          90 PHE  HA          5.50    (#    168:20  Unique         4.58, 6.03 A)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1372,1373,
 &end
#
# 90 PHE  HA           91 LYS  HN          2.80    (#    121:10  Unique         2.14, 2.27 A)
 &rst
  ixpk= 121, nxpk= 10, iat=1347,1365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 90 PHE  HD           90 PHE  HB+         3.50    (#    700:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1353,1361,
 igr2=1349,1350,
 &end
#
# 90 PHE  HE           90 PHE  HB+         4.50    (#    701:20  Unique         4.69, 5.11 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1355,1359,
 igr2=1349,1350,
 &end
#
# 90 PHE  HB+          90 PHE  HN          2.80    (#    713:10  Unique         2.30, 2.48 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1349,1350,
 &end
#
# 91 LYS  HN           90 PHE  HB+         5.50    (#    704:20  Unique         3.82, 3.99 A)
 &rst
  ixpk= 704, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1349,1350,
 &end
#
# 90 PHE  HD           90 PHE  HB-         3.50    (#    699:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1353,1361,
 igr2=1349,1350,
 &end
#
# 90 PHE  HE           90 PHE  HB-         4.50    (#    702:20  Unique         4.69, 5.11 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1355,1359,
 igr2=1349,1350,
 &end
#
# 90 PHE  HB-          90 PHE  HN          2.80    (#    712:10  Unique         2.30, 2.48 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1349,1350,
 &end
#
# 90 PHE  HB-          91 LYS  HN          5.50    (#   1354:10  Unique         3.82, 3.99 A)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1349,1350,
 &end
#
# 90 PHE  HD           90 PHE  HN          4.50    (#    708:10  Unique         4.44, 4.71 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1353,1361,
 &end
#
# 90 PHE  HD           91 LYS  HA          5.50    (#   2048:20  Unique         3.26, 4.82 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1353,1361,
 &end
#
# 90 PHE  HD           91 LYS  HN          4.50    (#    119:10  Unique         3.31, 3.66 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1353,1361,
 &end
#
# 90 PHE  HE           91 LYS  HA          5.50    (#   2049:20  Unique         4.06, 5.51 A)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1355,1359,
 &end
#
# 90 PHE  HE           92 PRO  HB+         5.50    (#   1603:20  Unique         2.89, 5.66 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1355,1359,
 igr2=1394,1395,
 &end
#
# 90 PHE  HE           92 PRO  HB-         4.50    (#   1604:20  Unique         2.89, 5.66 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1355,1359,
 igr2=1394,1395,
 &end
#
# 90 PHE  HE           92 PRO  HD+         4.50    (#    374:20  Unique         3.18, 5.88 A)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1355,1359,
 igr2=1388,1389,
 &end
#
# 90 PHE  HE           92 PRO  HD-         5.50    (#    375:20  Unique         3.18, 5.88 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1355,1359,
 igr2=1388,1389,
 &end
#
# 90 PHE  HE           92 PRO  HG+         5.50    (#   1408:20  Unique         4.54, 6.95 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1355,1359,
 igr2=1391,1392,
 &end
#
# 91 LYS  HN           90 PHE  HN          5.50    (#   1423:10  Unique         4.56, 4.64 A)
 &rst
  ixpk= 1423, nxpk= 10, iat=1365,1345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91 LYS  HA           91 LYS  HB+         3.50    (#   3029:20  Unique         2.60, 2.88 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1369,1370,
 &end
#
# 91 LYS  HA           91 LYS  HB-         4.50    (#   1053:20  Unique         2.60, 2.88 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1369,1370,
 &end
#
# 91 LYS  HA           91 LYS  HD+         4.00    (#   1095:20  Unique         2.13, 3.46 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1375,1376,
 &end
#
# 91 LYS  HD-          91 LYS  HA          4.50    (#   2059:20  Unique         2.13, 3.46 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1375,1376,
 &end
#
# 91 LYS  HE-          91 LYS  HA          5.50    (#   2054:20  Unique         3.41, 4.63 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1378,1379,
 &end
#
# 91 LYS  HA           91 LYS  HG+         3.50    (#   2704:20  Unique         2.11, 2.96 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1372,1373,
 &end
#
# 91 LYS  HA           91 LYS  HN          4.50    (#    120:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 120, nxpk= 10, iat=1367,1365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 92 PRO  HB-          91 LYS  HA          5.50    (#   2056:20  Unique         4.78, 5.30 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1394,1395,
 &end
#
# 92 PRO  HD+          91 LYS  HA          2.80    (#   2053:20  Unique         2.21, 2.40 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1388,1389,
 &end
#
# 92 PRO  HD-          91 LYS  HA          2.80    (#   2052:20  Unique         2.21, 2.40 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1388,1389,
 &end
#
# 92 PRO  HG+          91 LYS  HA          4.50    (#   2055:20  Unique         4.43, 4.56 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1391,1392,
 &end
#
# 92 PRO  HG-          91 LYS  HA          4.50    (#   2057:20  Unique         4.43, 4.56 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1391,1392,
 &end
#
# 91 LYS  HG+          91 LYS  HB+         2.80    (#   3025:20  Unique         2.22, 2.62 A)
 &rst
  ixpk= 3025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1372,1373,
 igr2=1369,1370,
 &end
#
# 91 LYS  HB+          91 LYS  HN          4.50    (#    122:10  Unique         2.58, 3.20 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1369,1370,
 &end
#
# 92 PRO  HD+          91 LYS  HB+         4.50    (#   3028:20  Unique         2.42, 4.09 A)
 &rst
  ixpk= 3028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1369,1370,
 &end
#
# 92 PRO  HD-          91 LYS  HB+         4.50    (#   3027:20  Unique         2.42, 4.09 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1369,1370,
 &end
#
# 92 PRO  HG+          91 LYS  HB+         4.50    (#   3026:20  Unique         5.99, 7.87 A)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1391,1392,
 igr2=1369,1370,
 &end
#
# 91 LYS  HE+          91 LYS  HB-         5.50    (#   1050:20  Unique         2.08, 4.23 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1378,1379,
 igr2=1369,1370,
 &end
#
# 91 LYS  HN           91 LYS  HB-         4.50    (#   1054:20  Unique         2.58, 3.20 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1369,1370,
 &end
#
# 92 PRO  HD+          91 LYS  HB-         5.50    (#   1052:20  Unique         2.42, 4.09 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1388,1389,
 igr2=1369,1370,
 &end
#
# 92 PRO  HD-          91 LYS  HB-         4.50    (#   1051:20  Unique         2.42, 4.09 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1369,1370,
 &end
#
# 91 LYS  HE+          91 LYS  HD+         3.50    (#   1099:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1378,1379,
 igr2=1375,1376,
 &end
#
# 91 LYS  HE-          91 LYS  HD+         3.50    (#   1098:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1378,1379,
 igr2=1375,1376,
 &end
#
# 91 LYS  HG+          91 LYS  HD+         2.80    (#   1100:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1372,1373,
 igr2=1375,1376,
 &end
#
# 92 PRO  HD+          91 LYS  HD+         4.50    (#   1097:20  Unique         3.07, 4.99 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1375,1376,
 &end
#
# 91 LYS  HD+          92 PRO  HD-         4.50    (#    359:20  Unique         3.07, 4.99 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1375,1376,
 igr2=1388,1389,
 &end
#
# 91 LYS  HE+          91 LYS  HD-         4.50    (#   1092:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1378,1379,
 igr2=1375,1376,
 &end
#
# 91 LYS  HE-          91 LYS  HD-         4.50    (#   1091:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1378,1379,
 igr2=1375,1376,
 &end
#
# 91 LYS  HG+          91 LYS  HD-         2.80    (#   1094:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1372,1373,
 igr2=1375,1376,
 &end
#
# 92 PRO  HD+          91 LYS  HD-         5.50    (#   1090:20  Unique         3.07, 4.99 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1388,1389,
 igr2=1375,1376,
 &end
#
# 91 LYS  HE+          95 ALA  MB          5.50    (#   2420:20  Unique         4.06, 6.21 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1378,1379,
 igr2=1442,1443,1444,
 &end
#
# 91 LYS  HE+          99 LEU  MDY         5.50    (#   2650:20  Unique         3.32, 6.90 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1378,1379,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 91 LYS  HN           91 LYS  HG+         5.50    (#   2703:20  Unique         3.79, 4.72 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1373,
 &end
#
# 91 LYS  HG+          92 PRO  HB+         5.50    (#   1617:20  Unique         5.90, 7.02 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1372,1373,
 igr2=1394,1395,
 &end
#
# 91 LYS  HG+          92 PRO  HD+         4.50    (#    354:20  Unique         2.24, 3.95 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1372,1373,
 igr2=1388,1389,
 &end
#
# 91 LYS  HG+          92 PRO  HD-         4.50    (#    355:20  Unique         2.24, 3.95 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1372,1373,
 igr2=1388,1389,
 &end
#
# 91 LYS  HG+          95 ALA  MB          3.50    (#   2425:20  Unique         2.38, 3.99 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1372,1373,
 igr2=1442,1443,1444,
 &end
#
# 91 LYS  HN           96 LEU  MDY         5.50    (#   2482:20  Unique         3.25, 6.20 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 92 PRO  HB+          92 PRO  HA          3.50    (#   2157:20  Unique         2.32, 2.53 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1394,1395,
 &end
#
# 92 PRO  HA           92 PRO  HB-         2.80    (#   1605:20  Unique         2.32, 2.53 A)
 &rst
  ixpk= 1605, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1394,1395,
 &end
#
# 92 PRO  HD+          92 PRO  HA          4.50    (#   2155:20  Unique         3.57, 3.84 A)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1388,1389,
 &end
#
# 92 PRO  HA           92 PRO  HD-         4.50    (#    371:20  Unique         3.57, 3.84 A)
 &rst
  ixpk= 371, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1388,1389,
 &end
#
# 92 PRO  HG+          92 PRO  HA          4.50    (#   2158:20  Unique         3.84, 3.99 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1391,1392,
 &end
#
# 92 PRO  HA           92 PRO  HG-         4.50    (#   1407:20  Unique         3.84, 3.99 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1391,1392,
 &end
#
# 92 PRO  HA           93 LYS  HA          4.50    (#    152:20  Unique         4.32, 4.39 A)
 &rst
  ixpk= 152, nxpk= 20, iat=1397,1403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 92 PRO  HA           93 LYS  HN          2.80    (#    506:10  Unique         2.34, 2.38 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1397,1401, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 92 PRO  HA           94 GLU  HN          5.50    (#   1497:10  Unique         4.32, 4.46 A)
 &rst
  ixpk= 1497, nxpk= 10, iat=1397,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 92 PRO  HD+          92 PRO  HB+         4.50    (#   1609:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1394,1395,
 &end
#
# 92 PRO  HD-          92 PRO  HB+         4.50    (#   1608:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1394,1395,
 &end
#
# 92 PRO  HG-          92 PRO  HB+         3.50    (#   1612:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1391,1392,
 igr2=1394,1395,
 &end
#
# 92 PRO  HB+          93 LYS  HN          2.80    (#    507:10  Unique         2.70, 3.26 A)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1394,1395,
 &end
#
# 94 GLU  HN           92 PRO  HB+         4.50    (#   1591:20  Unique         2.59, 3.62 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1394,1395,
 &end
#
# 92 PRO  HB+          95 ALA  HN          4.50    (#    470:10  Unique         3.41, 4.22 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1394,1395,
 &end
#
# 92 PRO  HD+          92 PRO  HB-         4.50    (#   1610:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1394,1395,
 &end
#
# 92 PRO  HD-          92 PRO  HB-         4.50    (#   1607:20  Unique         2.82, 3.69 A)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1388,1389,
 igr2=1394,1395,
 &end
#
# 92 PRO  HB-          92 PRO  HG+         2.80    (#   1412:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1394,1395,
 igr2=1391,1392,
 &end
#
# 92 PRO  HG-          92 PRO  HB-         3.50    (#   1611:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1391,1392,
 igr2=1394,1395,
 &end
#
# 92 PRO  HB-          93 LYS  HN          3.50    (#    501:10  Unique         2.70, 3.26 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1394,1395,
 &end
#
# 94 GLU  HN           92 PRO  HB-         4.50    (#   1590:20  Unique         2.59, 3.62 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1394,1395,
 &end
#
# 95 ALA  HN           92 PRO  HB-         4.50    (#   1599:20  Unique         3.41, 4.22 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1394,1395,
 &end
#
# 92 PRO  HD+          92 PRO  HG+         3.50    (#   1404:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1389,
 igr2=1391,1392,
 &end
#
# 92 PRO  HD+          92 PRO  HG-         3.50    (#   1400:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1389,
 igr2=1391,1392,
 &end
#
# 92 PRO  HD+          95 ALA  MB          3.50    (#   2418:20  Unique         2.40, 3.94 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1388,1389,
 igr2=1442,1443,1444,
 &end
#
# 92 PRO  HD-          92 PRO  HG+         3.50    (#   1403:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1389,
 igr2=1391,1392,
 &end
#
# 92 PRO  HD-          92 PRO  HG-         3.50    (#   1401:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1388,1389,
 igr2=1391,1392,
 &end
#
# 95 ALA  HN           92 PRO  HD-         5.50    (#    373:20  Unique         3.85, 4.61 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1388,1389,
 &end
#
# 92 PRO  HD-          95 ALA  MB          3.50    (#   2419:20  Unique         2.40, 3.94 A)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1388,1389,
 igr2=1442,1443,1444,
 &end
#
# 93 LYS  HN           92 PRO  HG+         5.50    (#   1410:20  Unique         4.42, 4.89 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1391,1392,
 &end
#
# 92 PRO  HG+          95 ALA  HN          4.50    (#    461:10  Unique         2.21, 3.21 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1391,1392,
 &end
#
# 92 PRO  HG+          95 ALA  MB          4.50    (#   2422:20  Unique         2.46, 3.74 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,
 igr2=1442,1443,1444,
 &end
#
# 94 GLU  HN           92 PRO  HG-         5.50    (#   1397:20  Unique         3.55, 4.32 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1391,1392,
 &end
#
# 92 PRO  HG-          95 ALA  HN          3.50    (#    472:10  Unique         2.21, 3.21 A)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1391,1392,
 &end
#
# 92 PRO  HG-          95 ALA  MB          3.50    (#   2424:20  Unique         2.46, 3.74 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1391,1392,
 igr2=1442,1443,1444,
 &end
#
# 94  GLU- HN  92  PRO  QB  4.5  (# 2:916:10)
 &rst
  ixpk= 2, nxpk= 916, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1394,1395,
 &end
#
# 93 LYS  HA           93 LYS  HB+         3.50    (#   1628:20  Unique         2.38, 2.73 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1405,1406,
 &end
#
# 93 LYS  HA           93 LYS  HB-         3.50    (#   1629:20  Unique         2.38, 2.73 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1405,1406,
 &end
#
# 93 LYS  HA           93 LYS  HE+         5.50    (#   1908:20  Unique         4.46, 5.26 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
# 93 LYS  HA           93 LYS  HE-         5.50    (#   1907:20  Unique         4.46, 5.26 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
# 93 LYS  HA           93 LYS  HG+         3.50    (#   1566:20  Unique         2.61, 3.04 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1408,1409,
 &end
#
# 93 LYS  HA           93 LYS  HN          2.80    (#    500:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1403,1401, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 93 LYS  HA           94 GLU  HA          5.50    (#    260:20  Unique         4.62, 4.71 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93 LYS  HA           94 GLU  HN          4.50    (#    914:10  Unique         3.61, 3.62 A)
 &rst
  ixpk= 914, nxpk= 10, iat=1403,1423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 95 ALA  HN           93 LYS  HA          5.50    (#    153:20  Unique         4.37, 4.59 A)
 &rst
  ixpk= 153, nxpk= 20, iat=1438,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93 LYS  HA           96 LEU  HB+         4.50    (#   1020:20  Unique         2.45, 3.25 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1452,1453,
 &end
#
# 93 LYS  HA           96 LEU  HB-         4.50    (#   1850:20  Unique         2.45, 3.25 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1452,1453,
 &end
#
# 96 LEU  HN           93 LYS  HA          4.50    (#    154:20  Unique         3.29, 3.51 A)
 &rst
  ixpk= 154, nxpk= 20, iat=1448,1403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 LEU  MDX          93 LYS  HA          3.50    (#    149:20  Unique         3.45, 5.43 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1457,1458,1459,1461,1462,1463,
 &end
#
# 93 LYS  HA           97 GLN  HN          5.50    (#   1495:10  Unique         3.61, 3.75 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=1403,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 93 LYS  HB+          93 LYS  HE+         3.50    (#   1911:20  Unique         2.39, 4.37 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1405,1406,
 igr2=1414,1415,
 &end
#
# 93 LYS  HB+          93 LYS  HE-         3.50    (#   1909:20  Unique         2.39, 4.37 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1405,1406,
 igr2=1414,1415,
 &end
#
# 93 LYS  HB+          93 LYS  HN          2.80    (#    509:10  Unique         2.33, 2.52 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1405,1406,
 &end
#
# 93 LYS  HB+          94 GLU  HN          2.80    (#    919:10  Unique         2.71, 3.46 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1405,1406,
 &end
#
# 93 LYS  HE+          93 LYS  HB-         4.50    (#   1627:20  Unique         2.39, 4.37 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1414,1415,
 igr2=1405,1406,
 &end
#
# 93 LYS  HE-          93 LYS  HB-         4.50    (#   1624:20  Unique         2.39, 4.37 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1414,1415,
 igr2=1405,1406,
 &end
#
# 93 LYS  HB-          93 LYS  HN          2.80    (#    508:10  Unique         2.33, 2.52 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1405,1406,
 &end
#
# 94 GLU  HN           93 LYS  HB-         4.50    (#   1592:20  Unique         2.71, 3.46 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1405,1406,
 &end
#
# 93 LYS  HD+          93 LYS  HE+         3.50    (#   1912:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1411,1412,
 igr2=1414,1415,
 &end
#
# 93 LYS  HD+          93 LYS  HE-         3.50    (#   1910:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1411,1412,
 igr2=1414,1415,
 &end
#
# 93 LYS  HD+          93 LYS  HN          4.50    (#    502:10  Unique         4.50, 4.91 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1411,1412,
 &end
#
# 93 LYS  HD+          94 GLU  HA          5.00    (#    265:20  Unique         2.81, 4.95 A)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1411,1412,
 &end
#
# 93 LYS  HD+          94 GLU  HN          4.50    (#    920:10  Unique         3.08, 4.65 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1411,1412,
 &end
#
# 93 LYS  HG+          93 LYS  HE+         4.50    (#   1914:20  Unique         2.13, 2.76 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1408,1409,
 igr2=1414,1415,
 &end
#
# 97 GLN  HE2-         93 LYS  HE+         5.50    (#   1905:20  Unique         4.81, 7.03 A)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1479,1480,
 igr2=1414,1415,
 &end
#
# 93 LYS  HE+          97 GLN  HG+         5.50    (#    852:20  Unique         2.30, 4.14 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,
 igr2=1474,1475,
 &end
#
# 93 LYS  HE+          97 GLN  HG-         5.50    (#    853:20  Unique         2.30, 4.14 A)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,
 igr2=1474,1475,
 &end
#
# 93 LYS  HG+          93 LYS  HE-         3.50    (#   1913:20  Unique         2.13, 2.76 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1408,1409,
 igr2=1414,1415,
 &end
#
# 93 LYS  HE-          97 GLN  HE2+        5.50    (#   1149:10  Unique         4.81, 7.03 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,
 igr2=1479,1480,
 &end
#
# 93 LYS  HE-          97 GLN  HE2-        5.50    (#   1148:10  Unique         4.81, 7.03 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,
 igr2=1479,1480,
 &end
#
# 93 LYS  HG+          94 GLU  HA          4.50    (#    267:20  Unique         2.95, 4.27 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1408,1409,
 &end
#
# 93 LYS  HG+          94 GLU  HN          4.50    (#    922:10  Unique         3.35, 4.32 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1408,1409,
 &end
#
# 93 LYS  HG+          97 GLN  HG+         4.50    (#    855:20  Unique         2.75, 4.01 A)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1408,1409,
 igr2=1474,1475,
 &end
#
# 93 LYS  HG+          97 GLN  HG-         4.50    (#    854:20  Unique         2.75, 4.01 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1408,1409,
 igr2=1474,1475,
 &end
#
# 93 LYS  HG+          97 GLN  HN          5.50    (#   1426:10  Unique         3.65, 4.38 A)
 &rst
  ixpk= 1426, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1408,1409,
 &end
#
# 93 LYS  HN           94 GLU  HN          3.50    (#    911:10  Unique         2.87, 2.94 A)
 &rst
  ixpk= 911, nxpk= 10, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 94 GLU  HA           94 GLU  HB+         2.80    (#   1481:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1427,1428,
 &end
#
# 94 GLU  HA           94 GLU  HG+         3.50    (#    819:20  Unique         2.47, 2.95 A)
 &rst
  ixpk= 819, nxpk= 20, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1430,1431,
 &end
#
# 94 GLU  HA           94 GLU  HN          2.80    (#    913:10  Unique         2.78, 2.81 A)
 &rst
  ixpk= 913, nxpk= 10, iat=1425,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 94 GLU  HA           95 ALA  HN          4.50    (#    467:10  Unique         3.47, 3.52 A)
 &rst
  ixpk= 467, nxpk= 10, iat=1425,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 LEU  HN           94 GLU  HA          5.50    (#    257:20  Unique         4.40, 4.49 A)
 &rst
  ixpk= 257, nxpk= 20, iat=1448,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94 GLU  HA           97 GLN  HG+         4.50    (#    849:20  Unique         2.08, 2.55 A)
 &rst
  ixpk= 849, nxpk= 20, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1474,1475,
 &end
#
# 94 GLU  HA           97 GLN  HG-         4.50    (#    848:20  Unique         2.08, 2.55 A)
 &rst
  ixpk= 848, nxpk= 20, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1474,1475,
 &end
#
# 94 GLU  HA           97 GLN  HN          3.50    (#    682:10  Unique         3.44, 3.56 A)
 &rst
  ixpk= 682, nxpk= 10, iat=1425,1467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 94 GLU  HA           98 GLU  HN          4.50    (#    811:10  Unique         4.04, 4.14 A)
 &rst
  ixpk= 811, nxpk= 10, iat=1425,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 94 GLU  HB+          94 GLU  HN          2.80    (#    918:10  Unique         2.21, 2.81 A)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1427,1428,
 &end
#
# 94 GLU  HB+          95 ALA  HN          2.80    (#    471:10  Unique         2.57, 3.21 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1427,1428,
 &end
#
# 95 ALA  MB           94 GLU  HB+         4.50    (#   1483:20  Unique         4.26, 5.60 A)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1442,1443,1444,
 igr2=1427,1428,
 &end
#
# 94 GLU  HN           94 GLU  HG+         4.50    (#    815:20  Unique         2.20, 3.64 A)
 &rst
  ixpk= 815, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1430,1431,
 &end
#
# 95 ALA  HN           94 GLU  HG+         4.50    (#    817:20  Unique         3.80, 4.61 A)
 &rst
  ixpk= 817, nxpk= 20, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1430,1431,
 &end
#
# 95 ALA  MB           94 GLU  HG+         5.50    (#    821:20  Unique         4.99, 6.98 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1442,1443,1444,
 igr2=1430,1431,
 &end
#
# 94 GLU  HN           94 GLU  HG-         4.50    (#    816:20  Unique         2.20, 3.64 A)
 &rst
  ixpk= 816, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1430,1431,
 &end
#
# 94  GLU- HN  94  GLU- QG  3.8  (# 1:916:10)
 &rst
  ixpk= 1, nxpk= 916, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1430,1431,
 &end
#
# 95 ALA  HN           94 GLU  HN          2.80    (#    912:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 912, nxpk= 10, iat=1438,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 94 GLU  HN           95 ALA  MB          5.50    (#   2409:20  Unique         4.85, 5.49 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1442,1443,1444,
 &end
#
# 96 LEU  HN           94 GLU  HN          5.50    (#    903:10  Unique         4.13, 4.21 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1448,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 97 GLN  HN           94 GLU  HN          5.50    (#   1527:10  Unique         4.72, 4.74 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=1467,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94  GLU- HN  97  GLN  QG  4.5  (# 3:916:10)
 &rst
  ixpk= 3, nxpk= 916, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1474,1475,
 &end
#
# 95 ALA  HA           95 ALA  HN          2.80    (#    466:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 466, nxpk= 10, iat=1440,1438, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 95 ALA  HA           95 ALA  MB          2.80    (#   2416:20  Unique         2.45, 2.67 A)
 &rst
  ixpk= 2416, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1442,1443,1444,
 &end
#
# 95 ALA  HA           96 LEU  HN          4.50    (#    654:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 654, nxpk= 10, iat=1440,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 95 ALA  HA           97 GLN  HN          5.50    (#   1496:10  Unique         4.58, 4.64 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=1440,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 ALA  HA           98 GLU  HB+         2.80    (#   3174:20  Unique         2.63, 3.14 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1488,1489,
 &end
#
# 95 ALA  HA           98 GLU  HG+         4.50    (#   1784:20  Unique         4.28, 5.00 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1491,1492,
 &end
#
# 95 ALA  HA           98 GLU  HN          3.50    (#    810:10  Unique         3.43, 3.51 A)
 &rst
  ixpk= 810, nxpk= 10, iat=1440,1484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 95 ALA  HA           99 LEU  HN          5.50    (#   1430:10  Unique         3.94, 4.09 A)
 &rst
  ixpk= 1430, nxpk= 10, iat=1440,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 ALA  MB           95 ALA  HN          2.80    (#    473:10  Unique         2.38, 2.85 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1442,1443,1444,
 &end
#
# 95 ALA  HN           96 LEU  HN          2.80    (#    653:10  Unique         2.48, 2.64 A)
 &rst
  ixpk= 653, nxpk= 10, iat=1438,1448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 95 ALA  HN           97 GLN  HE2+        5.50    (#   1170:10  Unique         4.78, 5.62 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1479,1480,
 &end
#
# 97 GLN  HN           95 ALA  HN          4.50    (#    463:10  Unique         4.11, 4.21 A)
 &rst
  ixpk= 463, nxpk= 10, iat=1467,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 LEU  HA           95 ALA  MB          4.50    (#   2417:20  Unique         4.15, 4.70 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1442,1443,1444,
 &end
#
# 96 LEU  HN           95 ALA  MB          3.50    (#   2411:20  Unique         2.45, 3.32 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1442,1443,1444,
 &end
#
# 97 GLN  HN           95 ALA  MB          4.50    (#   2410:20  Unique         5.02, 5.60 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1442,1443,1444,
 &end
#
# 98 GLU  HN           95 ALA  MB          5.50    (#   2412:20  Unique         5.19, 5.46 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1442,1443,1444,
 &end
#
# 99 LEU  HN           95 ALA  MB          5.50    (#   2413:20  Unique         4.97, 5.64 A)
 &rst
  ixpk= 2413, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1442,1443,1444,
 &end
#
# 96 LEU  HA           96 LEU  HB+         3.50    (#   1019:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1452,1453,
 &end
#
# 96 LEU  HB-          96 LEU  HA          2.80    (#    214:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1452,1453,
 &end
#
# 96 LEU  HA           96 LEU  HG          4.50    (#   3086:20  Unique         2.47, 2.98 A)
 &rst
  ixpk= 3086, nxpk= 20, iat=1450,1455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 LEU  HA           96 LEU  HN          2.80    (#    655:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 655, nxpk= 10, iat=1450,1448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 96 LEU  HA           96 LEU  MDY         3.50    (#   2481:20  Unique         2.14, 3.78 A)
 &rst
  ixpk= 2481, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 97 GLN  HN           96 LEU  HA          4.50    (#    210:20  Unique         3.60, 3.61 A)
 &rst
  ixpk= 210, nxpk= 20, iat=1467,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 98 GLU  HN           96 LEU  HA          4.50    (#    213:20  Unique         4.02, 4.15 A)
 &rst
  ixpk= 213, nxpk= 20, iat=1484,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  MDY          96 LEU  HA          3.50    (#    217:20  Unique         2.34, 4.79 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
# 96 LEU  HB+          96 LEU  HG          3.50    (#   3090:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1452,1453,
 &end
#
# 96 LEU  HB+          96 LEU  HN          3.50    (#    659:10  Unique         2.10, 2.65 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1452,1453,
 &end
#
# 96 LEU  HB+          96 LEU  MDX         3.50    (#   2742:20  Unique         2.37, 3.33 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1452,1453,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 96 LEU  HB+          97 GLN  HN          3.50    (#    698:10  Unique         2.73, 3.31 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1452,1453,
 &end
#
# 96 LEU  HB-          96 LEU  HG          3.50    (#   3088:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1452,1453,
 &end
#
# 96 LEU  HB-          96 LEU  HN          2.80    (#    657:10  Unique         2.10, 2.65 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1452,1453,
 &end
#
# 96 LEU  HB-          97 GLN  HA          5.50    (#    173:20  Unique         4.07, 4.86 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1452,1453,
 &end
#
# 96 LEU  HB-          97 GLN  HN          2.80    (#    689:10  Unique         2.73, 3.31 A)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1452,1453,
 &end
#
# 96 LEU  HN           96 LEU  HG          4.50    (#   3085:20  Unique         2.39, 3.84 A)
 &rst
  ixpk= 3085, nxpk= 20, iat=1448,1455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 96 LEU  HN           96 LEU  MDX         4.50    (#   2741:20  Unique         3.10, 4.95 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 96 LEU  HN           96 LEU  MDY         4.50    (#   2484:20  Unique         3.10, 4.95 A)
 &rst
  ixpk= 2484, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 96 LEU  HN           97 GLN  HB+         5.50    (#   1478:20  Unique         5.25, 5.89 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1471,1472,
 &end
#
# 96 LEU  HN           97 GLN  HN          2.80    (#    680:10  Unique         2.71, 2.75 A)
 &rst
  ixpk= 680, nxpk= 10, iat=1448,1467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 96 LEU  HN           98 GLU  HN          4.50    (#    787:10  Unique         3.88, 3.97 A)
 &rst
  ixpk= 787, nxpk= 10, iat=1448,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 97 GLN  HN           96 LEU  MDY         5.50    (#   2485:20  Unique         4.74, 5.69 A)
 &rst
  ixpk= 2485, nxpk= 20, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 99 LEU  HN           96 LEU  MDY         5.50    (#   2483:20  Unique         4.54, 6.77 A)
 &rst
  ixpk= 2483, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
# 97 GLN  HA           97 GLN  HB-         3.50    (#   1469:20  Unique         2.35, 2.40 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1471,1472,
 &end
#
# 97 GLN  HG+          97 GLN  HA          3.50    (#    177:20  Unique         3.69, 3.98 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1474,1475,
 &end
#
# 97 GLN  HA           97 GLN  HG-         3.50    (#    851:20  Unique         3.69, 3.98 A)
 &rst
  ixpk= 851, nxpk= 20, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1474,1475,
 &end
#
# 97 GLN  HA           97 GLN  HN          2.80    (#    684:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 684, nxpk= 10, iat=1469,1467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 GLN  HA           98 GLU  HN          4.50    (#    813:10  Unique         3.52, 3.55 A)
 &rst
  ixpk= 813, nxpk= 10, iat=1469,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  HB-          97 GLN  HA          5.50    (#    174:20  Unique         4.87, 5.52 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1503,1504,
 &end
#
# 99 LEU  HN           97 GLN  HA          4.50    (#    180:20  Unique         4.23, 4.33 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1499,1469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 97 GLN  HB+          97 GLN  HN          2.80    (#    688:10  Unique         2.61, 3.19 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1471,1472,
 &end
#
# 97 GLN  HB-          97 GLN  HN          2.80    (#    687:10  Unique         2.61, 3.19 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1471,1472,
 &end
#
# 97 GLN  HE2+         97 GLN  HG+         3.50    (#    842:20  Unique         2.15, 3.28 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1479,1480,
 igr2=1474,1475,
 &end
#
# 97 GLN  HG-          97 GLN  HE2+        2.80    (#   1173:10  Unique         2.15, 3.28 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1474,1475,
 igr2=1479,1480,
 &end
#
# 97 GLN  HE2-         97 GLN  HG+         4.50    (#    844:20  Unique         2.15, 3.28 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1479,1480,
 igr2=1474,1475,
 &end
#
# 97 GLN  HG-          97 GLN  HE2-        3.50    (#   1179:10  Unique         2.15, 3.28 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1474,1475,
 igr2=1479,1480,
 &end
#
# 97 GLN  HG+          97 GLN  HN          2.80    (#    685:10  Unique         2.17, 2.92 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1474,1475,
 &end
#
# 97 GLN  HG-          97 GLN  HN          3.50    (#    686:10  Unique         2.17, 2.92 A)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1474,1475,
 &end
#
# 97 GLN  HG-          98 GLU  HN          2.80    (#    784:10  Unique         2.73, 3.63 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1474,1475,
 &end
#
# 97 GLN  HN           98 GLU  HN          2.80    (#    808:10  Unique         2.55, 2.59 A)
 &rst
  ixpk= 808, nxpk= 10, iat=1467,1484, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 GLN  HN           99 LEU  HN          5.50    (#   1428:10  Unique         4.06, 4.16 A)
 &rst
  ixpk= 1428, nxpk= 10, iat=1467,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 98 GLU  HA           98 GLU  HB+         2.80    (#   3175:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1488,1489,
 &end
#
# 98 GLU  HA           98 GLU  HG+         3.50    (#   1781:20  Unique         2.53, 3.16 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1491,1492,
 &end
#
# 98 GLU  HN           98 GLU  HA          3.50    (#    282:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 282, nxpk= 20, iat=1484,1486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 98 GLU  HB+          98 GLU  HN          2.80    (#    815:10  Unique         2.40, 2.55 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1488,1489,
 &end
#
# 98 GLU  HB+          99 LEU  HN          2.80    (#    758:10  Unique         2.36, 3.12 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1488,1489,
 &end
#
# 98 GLU  HG+          98 GLU  HN          4.50    (#    814:10  Unique         4.38, 4.51 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1491,1492,
 &end
#
# 98 GLU  HG+          99 LEU  HN          3.50    (#    730:10  Unique         3.57, 4.13 A)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1491,1492,
 &end
#
# 98 GLU  HN           99 LEU  HB-         5.50    (#   2987:20  Unique         3.97, 4.95 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
# 99 LEU  HN           98 GLU  HN          2.80    (#    809:10  Unique         2.40, 2.44 A)
 &rst
  ixpk= 809, nxpk= 10, iat=1499,1484, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 99 LEU  HA           99 LEU  HB+         3.50    (#   2990:20  Unique         2.33, 2.82 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1503,1504,
 &end
#
# 99 LEU  HA           99 LEU  HB-         3.50    (#   2989:20  Unique         2.33, 2.82 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1503,1504,
 &end
#
# 99 LEU  HA           99 LEU  HG          4.50    (#   3083:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 3083, nxpk= 20, iat=1501,1506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  HA           99 LEU  MDX         3.50    (#   2657:20  Unique         2.16, 3.90 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 99 LEU  HA           99 LEU  MDY         3.50    (#   2647:20  Unique         2.16, 3.90 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 99 LEU  HB+          99 LEU  HN          2.80    (#    760:10  Unique         1.94, 2.80 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1503,1504,
 &end
#
# 99 LEU  HB+          99 LEU  MDY         2.80    (#   2654:20  Unique         2.31, 3.29 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1503,1504,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
# 99 LEU  HB-          99 LEU  HN          2.80    (#    759:10  Unique         1.94, 2.80 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1503,1504,
 &end
#
# 99 LEU  MDX          99 LEU  HB-         3.50    (#   2998:20  Unique         2.31, 3.29 A)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1503,1504,
 &end
#
# 99 LEU  MDY          99 LEU  HB-         3.50    (#   2997:20  Unique         2.31, 3.29 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1503,1504,
 &end
#
# 99 LEU  HN           99 LEU  HG          4.50    (#   3082:20  Unique         2.76, 3.18 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=1499,1506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 99 LEU  MDX          99 LEU  HG          3.50    (#   3084:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
# 99 LEU  MDY          99 LEU  HN          4.50    (#    762:10  Unique         3.79, 4.84 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  20-2:7       74 THR  HB          4.50    (#      7:20  Single Ambig)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1103, 330, 318,
 &end
#
#    0 AMB  20-2:13      74 THR  HB          4.50    (#     13:20  Single Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1149,1150,1151,1153,1154,1155,1328,1329,1330,1332,
      1333,1334,1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:14      86 THR  HB          4.50    (#     14:20  Single Ambig)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1149,1150,1151,1153,1154,1155,1328,1329,1330,1332,
      1333,1334,1256,1257,1258,1260,1261,1262,
 &end
#
#    0 AMB  20-2:16      86 THR  HB          4.50    (#     16:20  Single Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1147,1036,1037,1038,1040,1041,1042,
 &end
#
#    0 AMB  20-2:41      63 THR  HB          4.50    (#     41:20  Single Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 984, 985,1057,1058,1059,
 &end
#
#    0 AMB  20-2:48      63 THR  HB          5.50    (#     48:20  Single Ambig)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1010,1019,1002,
 &end
#
#    0 AMB  20-2:52      63 THR  HB          5.50    (#     52:20  Single Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 980,  98,
 &end
#
#    0 AMB  20-2:59     100 VAL  HA          4.50    (#     59:20  Single Ambig)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1548,1499,
 &end
#
#    0 AMB  20-2:62       0 AMB  20-1:62     3.50    (#     62:20  Double Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1165,1166,1167,1169,1170,1171, 570, 571, 572, 574,
       575, 576,
 igr2=1520, 547,
 &end
#
#    0 AMB  20-2:63       0 AMB  20-1:63     3.50    (#     63:20  Double Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1165,1166,1167,1169,1170,1171, 619, 620, 621, 623,
       624, 625, 296, 297, 298, 300, 301, 302,
 igr2=1520, 547,
 &end
#
#    0 AMB  20-2:64     100 VAL  HA          2.80    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1524,1525,1526,1528,1529,1530,1524,1525,1526,1528,
      1529,1530,
 &end
#
#    0 AMB  20-2:65       0 AMB  20-1:65     4.50    (#     65:20  Double Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1503,1504,1591,1592,1411,1412,1552,1553,
 igr2=1520, 547,
 &end
#
#    0 AMB  20-2:72       0 AMB  20-1:72     3.50    (#     72:20  Double Ambig)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1518, 561,
 igr2=1520, 547,
 &end
#
#    0 AMB  20-2:78      83 VAL  HA          3.50    (#     78:20  Single Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1282,1235,
 &end
#
#    0 AMB  20-2:80      83 VAL  HA          4.50    (#     80:20  Single Ambig)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1237,
 &end
#
#    0 AMB  20-2:96       0 AMB  20-1:96     4.50    (#     96:20  Double Ambig)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1050,1051,1326,
 igr2=1067,1068,1067,1068,
 &end
#
#    0 AMB  20-2:101     11 PHE  HA          4.50    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 193, 183,
 &end
#
#    0 AMB  20-2:107      0 AMB  20-1:107    5.50    (#    107:20  Double Ambig)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 200, 201,1053,1054,
 igr2= 154,1032,
 &end
#
#    0 AMB  20-2:111      0 AMB  20-1:111    5.50    (#    111:20  Double Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 967, 968, 969, 187, 188, 189, 795,
 igr2=1032, 154,
 &end
#
#    0 AMB  20-2:119     69 VAL  HA          4.50    (#    119:20  Single Ambig)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1113,1114,1115,1303,1304,1305,
 &end
#
#    0 AMB  20-2:121     87 SER  HB-         4.50    (#    121:20  Single Ambig)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1125,1126,1375,1376,
 igr2=1315,1316,
 &end
#
#    0 AMB  20-2:128      0 AMB  20-1:128    5.50    (#    128:20  Double Ambig)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1315,1316,1315,1316,
 &end
#
#    0 AMB  20-2:131      0 AMB  20-1:131    3.50    (#    131:20  Double Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1130,1131,1132,1134,1135,1136,1508,1509,1510,1512,
      1513,1514,
 igr2=1315,1316,1315,1316,
 &end
#
#    0 AMB  20-2:132      0 AMB  20-1:132    5.50    (#    132:20  Double Ambig)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1113,1114,1115,1303,1304,1305,
 igr2=1315,1316,1315,1316,
 &end
#
#    0 AMB  20-2:133      0 AMB  20-1:133    4.50    (#    133:20  Double Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1125,1126,1375,1376,
 igr2=1315,1316,1315,1316,
 &end
#
#    0 AMB  20-2:143     93 LYS  HA          3.50    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1405,1406,1452,1453,
 &end
#
#    0 AMB  20-2:144     93 LYS  HA          4.50    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1411,1412, 617, 614, 615,
 &end
#
#    0 AMB  20-2:145     93 LYS  HA          4.50    (#    145:20  Single Ambig)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1455,1369,1370,
 &end
#
#    0 AMB  20-2:146     93 LYS  HA          3.50    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 551, 552, 553, 555, 556, 557,1408,1409,
 &end
#
#    0 AMB  20-2:150     93 LYS  HA          5.50    (#    150:20  Single Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1394,1395, 549,1430,1431, 665, 666,
 &end
#
#    0 AMB  20-2:151     93 LYS  HA          5.50    (#    151:20  Single Ambig)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 599, 600,1394,1395, 665, 666,
 &end
#
#    0 AMB  20-2:172     97 GLN  HA          5.50    (#    172:20  Single Ambig)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 617,1503,1504,
 &end
#
#    0 AMB  20-2:176     97 GLN  HA          2.80    (#    176:20  Single Ambig)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1522,1471,1472,
 &end
#
#    0 AMB  20-2:181     97 GLN  HA          5.50    (#    181:20  Single Ambig)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1448,1583,
 &end
#
#    0 AMB  20-2:188     66 LYS  HA          3.50    (#    188:20  Single Ambig)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1002,1010,1019,
 &end
#
#    0 AMB  20-2:192     40 GLU  HA          3.50    (#    192:20  Single Ambig)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 595, 641,
 &end
#
#    0 AMB  20-2:200      0 AMB  20-1:200    3.50    (#    200:20  Double Ambig)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1552,1553,1552,1553,
 igr2=1550,1501,
 &end
#
#    0 AMB  20-2:201      0 AMB  20-1:201    2.80    (#    201:20  Double Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1558,1559,1503,1504,1552,1553,1558,1559,
 igr2=1550,1501,
 &end
#
#    0 AMB  20-2:203      0 AMB  20-1:203    3.50    (#    203:20  Double Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1555,1556,1555,1556,1555,1556,
 igr2=1550,1501,
 &end
#
#  104 LEU  HN            0 AMB  20-1:206    5.50    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1550,1501,
 &end
#
#    0 AMB  20-2:207      0 AMB  20-1:207    2.80    (#    207:20  Double Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1499,1548,
 igr2=1501,1550,
 &end
#
#  101 ASN  HN            0 AMB  20-1:209    4.50    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1501,1550,
 &end
#
#    0 AMB  20-2:212      0 AMB  20-1:212    3.50    (#    212:20  Double Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 561,1518,
 igr2= 523,1450,
 &end
#
#    0 AMB  20-2:216     96 LEU  HA          2.80    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 &end
#
#    0 AMB  20-2:219      0 AMB  20-1:219    3.50    (#    219:20  Double Ambig)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 521,1499,
 igr2= 523,1450,
 &end
#
#    0 AMB  20-2:220      0 AMB  20-1:220    4.50    (#    220:20  Double Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 580,1479,1480,
 igr2= 523,1450,
 &end
#
#    0 AMB  20-2:223      0 AMB  20-1:223    3.50    (#    223:20  Double Ambig)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 508, 509, 510,1524,1525,1526,1528,1529,1530,
 igr2= 523,1450,
 &end
#
#    0 AMB  20-2:229      0 AMB  20-1:229    4.50    (#    229:20  Double Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 633, 634,1538,1539,1574,1575,
 igr2= 643,1550,
 &end
#
#    0 AMB  20-2:234     42 LEU  HA          4.50    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 641, 595,
 &end
#
#    0 AMB  20-2:238     42 LEU  HA          3.50    (#    238:20  Single Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 665, 666, 599, 600, 645, 646,
 &end
#
#    0 AMB  20-2:239     42 LEU  HA          2.80    (#    239:20  Single Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 617, 614, 615,
 &end
#
#    0 AMB  20-2:241     42 LEU  HA          2.80    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
       624, 625,
 &end
#
#    0 AMB  20-2:242     39 LEU  HA          2.80    (#    242:20  Single Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  20-2:243     39 LEU  HA          3.50    (#    243:20  Single Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 565, 566, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:245     39 LEU  HA          3.50    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 561, 595,
 &end
#
#    0 AMB  20-2:247     41 GLU  HA          2.80    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 595, 641,
 &end
#
#    0 AMB  20-2:250     41 GLU  HA          3.50    (#    250:20  Single Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 602, 603, 648, 649,
 &end
#
#    0 AMB  20-2:251     41 GLU  HA          2.80    (#    251:20  Single Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 645, 646, 599, 600,
 &end
#
#    0 AMB  20-2:252     41 GLU  HA          4.50    (#    252:20  Single Ambig)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1411,1412, 614, 615, 617,
 &end
#
#    0 AMB  20-2:253     41 GLU  HA          5.50    (#    253:20  Single Ambig)
 &rst
  ixpk= 253, nxpk= 20, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 619, 620, 621, 623, 624, 625,  44,  45,  46,
 &end
#
#    0 AMB  20-2:262      0 AMB  20-1:262    3.50    (#    262:20  Double Ambig)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1474,1475, 941, 942,1430,1431,
 igr2=1425, 936,
 &end
#
#    0 AMB  20-2:263      0 AMB  20-1:263    2.80    (#    263:20  Double Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 938, 939,1427,1428,
 igr2= 936,1425,
 &end
#
#    0 AMB  20-2:264     94 GLU  HA          4.50    (#    264:20  Single Ambig)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1405,1406,1452,1453,
 &end
#
#    0 AMB  20-2:266      0 AMB  20-1:266    4.50    (#    266:20  Double Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 967, 968, 969,1442,1443,1444,1455,
 igr2= 936,1425,
 &end
#
#    0 AMB  20-2:281     98 GLU  HA          3.50    (#    281:20  Single Ambig)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1499,1548,
 &end
#
#    0 AMB  20-2:284     98 GLU  HA          3.50    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1538,1539,1561,1562,
 &end
#
#    0 AMB  20-2:288     96 LEU  HA          3.50    (#    288:20  Single Ambig)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1455,1369,1370,
 &end
#
#    0 AMB  20-2:290     64 ALA  HA          4.50    (#    290:20  Single Ambig)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1036,1037,1038,1040,1041,1042,1147,
 &end
#
#    0 AMB  20-2:291     64 ALA  HA          4.50    (#    291:20  Single Ambig)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 866, 867, 868, 870, 871, 872, 310, 311, 312,
 &end
#
#    0 AMB  20-2:293     64 ALA  HA          3.50    (#    293:20  Single Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1034,1057,1058,1059,
 &end
#
#    0 AMB  20-2:304     13 ALA  HA          3.50    (#    304:20  Single Ambig)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 183, 193,
 &end
#
#    0 AMB  20-2:309     56 ASP  HA          5.50    (#    309:20  Single Ambig)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 376, 377, 378, 839, 840,
 &end
#
#    0 AMB  20-2:324      0 AMB  20-1:324    4.50    (#    324:20  Double Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1087,1088,1089, 406,
 igr2= 374,1094,1095,
 &end
#
#    0 AMB  20-2:325      0 AMB  20-1:325    4.50    (#    325:20  Double Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.24, r4= 9.74,
 igr1= 866, 867, 868, 870, 871, 872, 515, 516, 517,1328,
      1329,1330,1332,1333,1334,
 igr2= 374,1094,1095,1094,1095,
 &end
#
#    0 AMB  20-2:328      0 AMB  20-1:328    4.50    (#    328:20  Double Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 352, 353, 352, 353,
 igr2= 374,1094,1095,
 &end
#
#    0 AMB  20-2:337      0 AMB  20-1:337    4.50    (#    337:20  Double Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 541, 504,
 igr2= 532, 533, 532, 533,
 &end
#
#    0 AMB  20-2:346     37 PRO  HD-         4.50    (#    346:20  Single Ambig)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 541, 504,
 igr2= 532, 533,
 &end
#
#    0 AMB  20-2:347      0 AMB  20-1:347    4.50    (#    347:20  Double Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 487, 454,
 igr2= 532, 533,1094,1095,
 &end
#
#    0 AMB  20-2:351      0 AMB  20-1:351    3.50    (#    351:20  Double Ambig)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 442, 443, 538, 539, 425,
 igr2=1094,1095, 532, 533,
 &end
#
#    0 AMB  20-2:353      0 AMB  20-1:353    4.50    (#    353:20  Double Ambig)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 424, 551, 552, 553, 555, 556, 557,
 igr2=1094,1095, 532, 533,
 &end
#
#    0 AMB  20-2:356      0 AMB  20-1:356    3.50    (#    356:20  Double Ambig)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,1369,1370,
 igr2=1388,1389,1388,1389,
 &end
#
#    0 AMB  20-2:357     92 PRO  HD-         3.50    (#    357:20  Single Ambig)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1442,1443,1444,1369,1370,
 igr2=1388,1389,
 &end
#
#    0 AMB  20-2:372      0 AMB  20-1:372    4.50    (#    372:20  Double Ambig)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1353,1361,1438,
 igr2=1388,1389,1388,1389,
 &end
#
#    0 AMB  20-2:386      0 AMB  20-1:386    5.50    (#    386:20  Double Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 363, 372,
 igr2= 383, 384, 383, 384,
 &end
#
#    0 AMB  20-2:388      0 AMB  20-1:388    3.50    (#    388:20  Double Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 442, 443, 425,
 igr2= 439, 440, 439, 440,
 &end
#
#    0 AMB  20-2:408     22 ALA  HA          5.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 814, 815,1179,1180,1125,1126,1182,
 &end
#
#    0 AMB  20-2:410     22 ALA  HA          5.50    (#    410:20  Single Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 835, 836, 837, 214, 215, 216,
 &end
#
#    0 AMB  20-2:412     22 ALA  HA          4.50    (#    412:20  Single Ambig)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
       301, 302, 778, 779, 780,1184,1185,1186,1188,1189,
      1190,
 &end
#
#    0 AMB  20-2:413     22 ALA  HA          4.50    (#    413:20  Single Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
       301, 302,1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  20-2:414     22 ALA  HA          5.50    (#    414:20  Single Ambig)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1130,1131,1132,1134,1135,1136, 782, 783,
 &end
#
#    0 AMB  20-2:416     22 ALA  HA          4.50    (#    416:20  Single Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 809, 774, 318,
 &end
#
#    0 AMB  20-2:419     22 ALA  HA          4.50    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1140, 829,
 &end
#
#    0 AMB  20-2:422     74 THR  HA          4.50    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1107,
 &end
#
#    0 AMB  20-2:426     74 THR  HA          4.50    (#    426:20  Single Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1128,1125,1126,
 &end
#
#    0 AMB  20-2:428     74 THR  HA          4.50    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1328,1329,1330,1332,1333,1334,1130,1131,1132,1134,
      1135,1136,
 &end
#
#    0 AMB  20-2:430     74 THR  HA          5.50    (#    430:20  Single Ambig)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1036,1037,1038,1040,1041,1042,1147,
 &end
#
#    0 AMB  20-2:434     73 PRO  HA          5.50    (#    434:20  Single Ambig)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136, 866,
       867, 868, 870, 871, 872,1328,1329,1330,1332,1333,
      1334,
 &end
#
#    0 AMB  20-2:444     19 VAL  HA          4.50    (#    444:20  Single Ambig)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1198,1199,1201,1202,
 &end
#
#    0 AMB  20-2:446     19 VAL  HA          3.50    (#    446:20  Single Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 257, 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  20-2:453     77 VAL  HA          5.50    (#    453:20  Single Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 291, 292, 310, 311, 312,1256,1257,1258,1260,1261,
      1262,
 &end
#
#    0 AMB  20-2:454     77 VAL  HA          5.50    (#    454:20  Single Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 294,1182,1179,1180,
 &end
#
#    0 AMB  20-2:455     77 VAL  HA          3.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1165,1166,1167,1169,1170,1171,1184,1185,1186,1188,
      1189,1190, 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:458     52 ILE  HA          2.80    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 791, 772,
 &end
#
#    0 AMB  20-2:460     52 ILE  HA          4.50    (#    460:20  Single Ambig)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 754, 755, 735, 736,
 &end
#
#    0 AMB  20-2:462     52 ILE  HA          2.80    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 778, 779, 780, 740, 741, 742, 744, 745, 746, 277,
       278, 279, 281, 282, 283,
 &end
#
#    0 AMB  20-2:466     20 VAL  HA          5.50    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 754, 755, 275,
 &end
#
#    0 AMB  20-2:468     20 VAL  HA          3.50    (#    468:20  Single Ambig)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746, 277, 278, 279, 281, 282, 283,
 &end
#
#    0 AMB  20-2:472      0 AMB  20-1:472    4.50    (#    472:20  Double Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  92,  93,  94, 833,1201,1202,
 igr2= 793, 273,
 &end
#
#    0 AMB  20-2:473     24 PHE  HA          3.50    (#    473:20  Single Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 866, 867, 868, 870, 871, 872, 833, 310, 311, 312,
      
 &end
#
#    0 AMB  20-2:484     79 LYS  HA          3.50    (#    484:20  Single Ambig)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1201,1202,1198,1199,
 &end
#
#    0 AMB  20-2:499     54 LYS  HA          5.50    (#    499:20  Single Ambig)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=  37,  38,  39, 570, 571, 572, 574, 575, 576, 570,
       571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:504     25 TRP  HA          5.50    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1084,1085, 866, 867, 868, 870, 871, 872,
 &end
#
#    0 AMB  20-2:509     25 TRP  HA          5.50    (#    509:20  Single Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1107,1074,
 &end
#
#    0 AMB  20-2:515     78 LEU  HA          4.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1282,1235,
 &end
#
#    0 AMB  20-2:517     78 LEU  HA          5.50    (#    517:20  Single Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1198,1199, 275,
 &end
#
#    0 AMB  20-2:519     78 LEU  HA          3.50    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1179,1180,1182,
 &end
#
#    0 AMB  20-2:522     78 LEU  HA          3.50    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
      1170,1171,
 &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= 4.41, r4= 4.91,
 igr1=1140, 271,
 igr2=1142, 289,
 &end
#
#    0 AMB  20-2:531     76 LEU  HA          4.50    (#    531:20  Single Ambig)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1303,1304,1305,1113,1114,1115,
 &end
#
#    0 AMB  20-2:533      0 AMB  20-1:533    3.50    (#    533:20  Double Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 294,1125,1126,
 igr2= 289,1142,
 &end
#
#    0 AMB  20-2:534      0 AMB  20-1:534    2.80    (#    534:20  Double Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
       301, 302,1165,1166,1167,1169,1170,1171,
 igr2=1142, 289,
 &end
#
#    0 AMB  20-2:537      0 AMB  20-1:537    4.50    (#    537:20  Double Ambig)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 287, 949,
 igr2= 289, 905,
 &end
#
#    0 AMB  20-2:543     60 ASN  HA          3.50    (#    543:20  Single Ambig)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 116, 117, 907, 908,
 &end
#
#    0 AMB  20-2:547     23 ASP  HA          4.50    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1128,1144,1145,
 &end
#
#    0 AMB  20-2:552     23 ASP  HA          2.80    (#    552:20  Single Ambig)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 328, 316,
 &end
#
#    0 AMB  20-2:576     25 TRP  HZ2         5.50    (#    576:20  Single Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 389, 390, 820, 821,
 &end
#
#    0 AMB  20-2:581     67 TYR  HE          5.50    (#    581:20  Single Ambig)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1006,1007, 156, 157,
 igr2=1012,1017,
 &end
#
#    0 AMB  20-2:586     67 TYR  HE          3.50    (#    586:20  Single Ambig)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1184,1185,1186,1188,1189,1190,1147,
 igr2=1012,1017,
 &end
#
#    0 AMB  20-2:589     75 LEU  HA          4.50    (#    589:20  Single Ambig)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 328,1311,
 &end
#
#    0 AMB  20-2:596     75 LEU  HA          5.50    (#    596:20  Single Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 310, 311, 312, 291, 292,
 &end
#
#    0 AMB  20-2:597     75 LEU  HA          4.50    (#    597:20  Single Ambig)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1113,1114,1115,1303,1304,1305,
 &end
#
#    0 AMB  20-2:598     75 LEU  HA          4.50    (#    598:20  Single Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 296, 297, 298, 300, 301, 302,1149,1150,1151,1153,
      1154,1155,
 &end
#
#    0 AMB  20-2:603      0 AMB  20-1:603    3.50    (#    603:20  Double Ambig)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 222, 336, 344,
 igr2= 226, 227, 862,
 &end
#
#    0 AMB  20-2:620     12 SER  HA          3.50    (#    620:20  Single Ambig)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 183, 193,
 &end
#
#    0 AMB  20-2:641      0 AMB  20-1:641    3.50    (#    641:20  Double Ambig)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 224, 226, 227,
 igr2=1230,1231,1230,1231,
 &end
#
#    0 AMB  20-2:643      0 AMB  20-1:643    4.50    (#    643:20  Double Ambig)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1179,1180,1182,
 igr2=1230,1231,1230,1231,
 &end
#
#    0 AMB  20-2:653      0 AMB  20-1:653    5.50    (#    653:20  Double Ambig)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 257,1196,
 igr2= 250, 251, 250, 251,
 &end
#
#    0 AMB  20-2:654     18 GLY  HA-         5.50    (#    654:20  Single Ambig)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 257,1196,
 igr2= 250, 251,
 &end
#
#    0 AMB  20-2:661     18 GLY  HA-         5.50    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 237, 238, 754, 755,1204,1205,
 igr2= 250, 251,
 &end
#
#    0 AMB  20-2:662      0 AMB  20-1:662    5.50    (#    662:20  Double Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 237, 238, 754, 755,1204,1205,
 igr2= 250, 251, 250, 251, 250, 251,
 &end
#
#    0 AMB  20-2:665      0 AMB  20-1:665    5.50    (#    665:20  Double Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
       282, 283,
 igr2= 250, 251, 250, 251,
 &end
#
#    0 AMB  20-2:666     18 GLY  HA-         5.50    (#    666:20  Single Ambig)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
       282, 283,
 igr2= 250, 251,
 &end
#
#    0 AMB  20-2:671      0 AMB  20-1:671    5.50    (#    671:20  Double Ambig)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1378,1379,1349,1350,
 igr2=1340,1341,1340,1341,
 &end
#
#    0 AMB  20-2:674      0 AMB  20-1:674    4.50    (#    674:20  Double Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1328,1329,1330,1332,1333,1334, 515, 516, 517,
 igr2=1340,1341,1340,1341,
 &end
#
#    0 AMB  20-2:679     58 ASP  HB-         4.50    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 895, 896, 864,
 igr2= 880, 881,
 &end
#
#    0 AMB  20-2:680     58 ASP  HB-         4.50    (#    680:20  Single Ambig)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 895, 896, 892, 893,
 igr2= 880, 881,
 &end
#
#    0 AMB  20-2:692      0 AMB  20-1:692    3.50    (#    692:20  Double Ambig)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 154,1094,1095,
 igr2= 156, 157,1349,1350,
 &end
#
#    0 AMB  20-2:705      0 AMB  20-1:705    4.50    (#    705:20  Double Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 448,
 igr2= 156, 157,1349,1350,
 &end
#
#    0 AMB  20-2:709      0 AMB  20-1:709    4.50    (#    709:20  Double Ambig)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1094,1095,1340,1341,
 igr2=1349,1350,1349,1350,
 &end
#
#    0 AMB  20-2:722     24 PHE  HB-         3.50    (#    722:20  Single Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1036,1037,1038,1040,1041,1042,1080,1081,1082,1149,
      1150,1151,1153,1154,1155,
 igr2= 332, 333,
 &end
#
#    0 AMB  20-2:729      0 AMB  20-1:729    4.50    (#    729:20  Double Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1256,1257,1258,1260,1261,1262, 833,
 igr2=1006,1007, 156, 157,
 &end
#
#    0 AMB  20-2:731     67 TYR  HB-         5.50    (#    731:20  Single Ambig)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 965,1025,1026,
 igr2=1006,1007,
 &end
#
#    0 AMB  20-2:734     67 TYR  HB-         3.50    (#    734:20  Single Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1010,1019,1002,
 igr2=1006,1007,
 &end
#
#    0 AMB  20-2:772    103 HIS  HB-         4.50    (#    772:20  Single Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 261, 262, 263, 265, 266, 267,1508,1509,1510,1512,
      1513,1514, 740, 741, 742, 744, 745, 746,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:786      0 AMB  20-1:786    4.50    (#    786:20  Double Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1103, 330, 318,
 igr2= 352, 353, 352, 353, 352, 353,
 &end
#
#    0 AMB  20-2:789    101 ASN  HB-         3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1548,1499,
 igr2=1538,1539,
 &end
#
#    0 AMB  20-2:792      0 AMB  20-1:792    4.50    (#    792:20  Double Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1548,1499,
 igr2=1538,1539,1538,1539,
 &end
#
#    0 AMB  20-2:803    101 ASN  HB-         5.50    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1596,1597,1598,1600,1601,1602,1524,1525,1526,1528,
      1529,1530,
 igr2=1538,1539,
 &end
#
#    0 AMB  20-2:805      0 AMB  20-1:805    3.50    (#    805:20  Double Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1036,1037,1038,1040,1041,1042,1080,1081,1082,1149,
      1150,1151,1153,1154,1155,
 igr2= 332, 333, 332, 333, 332, 333,
 &end
#
#    0 AMB  20-2:806      0 AMB  20-1:806    4.50    (#    806:20  Double Ambig)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 866, 867, 868, 870, 871, 872,1596,1597,1598,1600,
      1601,1602,1596,1597,1598,1600,1601,1602,
 igr2= 332, 333,1538,1539,1538,1539,
 &end
#
#    0 AMB  20-2:818      0 AMB  20-1:818    5.50    (#    818:20  Double Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1438, 136, 137,
 igr2=1430,1431, 941, 942,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    3.50    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 936,1425,
 igr2= 941, 942,1430,1431,
 &end
#
#    0 AMB  20-2:822      0 AMB  20-1:822    5.50    (#    822:20  Double Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1442,1443,1444, 839, 840,
 igr2=1430,1431, 895, 896,
 &end
#
#    0 AMB  20-2:827      0 AMB  20-1:827    4.50    (#    827:20  Double Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 876, 248,
 igr2= 895, 896, 240, 241,
 &end
#
#    0 AMB  20-2:828      0 AMB  20-1:828    3.50    (#    828:20  Double Ambig)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 233, 929, 930,
 igr2= 240, 241, 941, 942,
 &end
#
#    0 AMB  20-2:862      0 AMB  20-1:862    4.50    (#    862:20  Double Ambig)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 929, 930, 136, 137,
 igr2= 924, 925, 131, 132,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    4.50    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 929, 930, 136, 137,
 igr2= 924, 925, 131, 132,
 &end
#
#    0 AMB  20-2:864      0 AMB  20-1:864    4.50    (#    864:20  Double Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 658, 141,
 igr2= 648, 649, 131, 132,
 &end
#
#    0 AMB  20-2:865      0 AMB  20-1:865    5.50    (#    865:20  Double Ambig)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 658, 141,
 igr2= 648, 649, 131, 132,
 &end
#
#    0 AMB  20-2:868      0 AMB  20-1:868    4.50    (#    868:20  Double Ambig)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 653, 654, 929, 930,
 igr2= 648, 649, 924, 925,
 &end
#
#    0 AMB  20-2:869      0 AMB  20-1:869    4.50    (#    869:20  Double Ambig)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 653, 654, 929, 930,
 igr2= 648, 649, 924, 925,
 &end
#
#    0 AMB  20-2:883      0 AMB  20-1:883    2.80    (#    883:20  Double Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 126, 919,
 igr2= 131, 132, 924, 925,
 &end
#
#    0 AMB  20-2:889     73 PRO  HB-         4.50    (#    889:20  Single Ambig)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136,
 igr2=1100,1101,
 &end
#
#    0 AMB  20-2:893     73 PRO  HB-         5.50    (#    893:20  Single Ambig)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1094,1095,1340,1341,
 igr2=1100,1101,
 &end
#
#    0 AMB  20-2:897     73 PRO  HB-         4.50    (#    897:20  Single Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1107,1338,
 igr2=1100,1101,
 &end
#
#    0 AMB  20-2:902     55 ILE  QD1         2.80    (#    902:20  Single Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 833,  92,  93,  94,
 igr2= 842, 843, 844,
 &end
#
#    0 AMB  20-2:915     55 ILE  QD1         4.50    (#    915:20  Single Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 112, 949,
 igr2= 842, 843, 844,
 &end
#
#    0 AMB  20-2:917     55 ILE  QG2         4.50    (#    917:20  Single Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 316, 328,
 igr2= 835, 836, 837,
 &end
#
#    0 AMB  20-2:930     55 ILE  QG2         4.50    (#    930:20  Single Ambig)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 831, 100,
 igr2= 835, 836, 837,
 &end
#
#    0 AMB  20-2:933     55 ILE  QG2         4.50    (#    933:20  Single Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 320, 321, 907, 908,
 igr2= 835, 836, 837,
 &end
#
#    0 AMB  20-2:935     55 ILE  QG2         5.50    (#    935:20  Single Ambig)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1144,1145, 811, 812,
 igr2= 835, 836, 837,
 &end
#
#    0 AMB  20-2:937     55 ILE  QG2         2.80    (#    937:20  Single Ambig)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 833, 310, 311, 312,
 igr2= 835, 836, 837,
 &end
#
#    0 AMB  20-2:942     72 ILE  QD1         3.50    (#    942:20  Single Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 866, 867, 868, 870, 871, 872,1084,1085,
 igr2=1087,1088,1089,
 &end
#
#    0 AMB  20-2:946      0 AMB  20-1:946    4.50    (#    946:20  Double Ambig)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1103, 330,
 igr2=1087,1088,1089, 842, 843, 844,
 &end
#
#    0 AMB  20-2:952      0 AMB  20-1:952    4.50    (#    952:20  Double Ambig)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 374, 154,1094,1095,
 igr2=1087,1088,1089, 842, 843, 844,
 &end
#
#    0 AMB  20-2:957     84 VAL  MGX         4.50    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1161,1196,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
#    0 AMB  20-2:969     84 VAL  MGX         3.50    (#    969:20  Single Ambig)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1242,1243,1289,1290,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
#    0 AMB  20-2:972     84 VAL  MGX         3.50    (#    972:20  Single Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1198,1199,1201,1202,
 igr2=1272,1273,1274,1276,1277,1278,
 &end
#
#    0 AMB  20-2:979     15 THR  MG2         5.50    (#    979:20  Single Ambig)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 273, 793,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  20-2:980     15 THR  MG2         5.50    (#    980:20  Single Ambig)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 289,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  20-2:986     15 THR  MG2         4.50    (#    986:20  Single Ambig)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 193, 183,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  20-2:987     15 THR  MG2         5.50    (#    987:20  Single Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 791,1194, 807,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  20-2:991     15 THR  MG2         4.50    (#    991:20  Single Ambig)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 795,1144,1145,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  20-2:993     15 THR  MG2         2.80    (#    993:20  Single Ambig)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1184,1185,1186,1188,1189,1190, 277, 278, 279, 281,
       282, 283,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  20-2:997     69 VAL  MGX         3.50    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965,1025,1026,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
#    0 AMB  20-2:1004    69 VAL  MGX         4.50    (#   1004:20  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1010,1019,1002,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
#    0 AMB  20-2:1009    69 VAL  MGX         5.50    (#   1009:20  Single Ambig)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 328,1311,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
#    0 AMB  20-2:1016    69 VAL  MGX         3.50    (#   1016:20  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1113,1114,1115,1303,1304,1305,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
#    0 AMB  20-2:1024     0 AMB  20-1:1024   3.50    (#   1024:20  Double Ambig)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1455,1369,1370,
 igr2=1452,1453,1452,1453,
 &end
#
#    0 AMB  20-2:1025     0 AMB  20-1:1025   3.50    (#   1025:20  Double Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1452,1453,1452,1453,
 &end
#
#    0 AMB  20-2:1026     0 AMB  20-1:1026   3.50    (#   1026:20  Double Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
       624, 625,
 igr2=1452,1453,1452,1453,
 &end
#
#    0 AMB  20-2:1032    55 ILE  HB          5.50    (#   1032:20  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 809, 330,
 &end
#
#    0 AMB  20-2:1043     0 AMB  20-1:1043   4.50    (#   1043:20  Double Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 614, 615, 617,  35,
 igr2= 565, 566, 565, 566, 565, 566,
 &end
#
#    0 AMB  20-2:1044     0 AMB  20-1:1044   3.50    (#   1044:20  Double Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 778, 779, 780, 785, 786, 787,
 igr2= 565, 566, 565, 566,
 &end
#
#    0 AMB  20-2:1045     0 AMB  20-1:1045   2.80    (#   1045:20  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 igr2= 565, 566, 565, 566,
 &end
#
#    0 AMB  20-2:1046    91 LYS  HB-         3.50    (#   1046:20  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1369,1370,
 &end
#
#    0 AMB  20-2:1047    91 LYS  HB-         4.50    (#   1047:20  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1130,1131,1132,1134,1135,1136, 515, 516, 517,
 igr2=1369,1370,
 &end
#
#    0 AMB  20-2:1049    91 LYS  HB-         4.50    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1391,1392,1503,1504,
 igr2=1369,1370,
 &end
#
#    0 AMB  20-2:1064     0 AMB  20-1:1064   4.50    (#   1064:20  Double Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 831, 100,
 igr2= 839, 840, 839, 840,
 &end
#
#    0 AMB  20-2:1068     0 AMB  20-1:1068   3.50    (#   1068:20  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 833, 866, 867, 868, 870, 871, 872,
 igr2= 839, 840, 839, 840,
 &end
#
#    0 AMB  20-2:1076    55 ILE  HG1-        3.50    (#   1076:20  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 831, 100,
 igr2= 839, 840,
 &end
#
#    0 AMB  20-2:1086    78 LEU  HG          3.50    (#   1086:20  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1256,1257,1258,1260,1261,1262,1149,1150,1151,1153,
      1154,1155,
 &end
#
#    0 AMB  20-2:1087    78 LEU  HG          2.80    (#   1087:20  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
      1189,1190,
 &end
#
#    0 AMB  20-2:1089    91 LYS  HD-         5.50    (#   1089:20  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1315,1316,1388,1389,
 igr2=1375,1376,
 &end
#
#    0 AMB  20-2:1096     0 AMB  20-1:1096   4.50    (#   1096:20  Double Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1315,1316,1388,1389,
 igr2=1375,1376,1375,1376,
 &end
#
#    0 AMB  20-2:1102     3 ILE  QD1         4.50    (#   1102:20  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  50, 772, 807, 791,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  20-2:1105     3 ILE  QD1         4.50    (#   1105:20  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 561, 641, 595,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  20-2:1108     3 ILE  QD1         5.50    (#   1108:20  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  23, 692, 693,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  20-2:1115     3 ILE  QD1         4.50    (#   1115:20  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 820, 821, 584, 585,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  20-2:1119     3 ILE  QD1         3.50    (#   1119:20  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 565, 566, 817, 818,
 igr2=  44,  45,  46,
 &end
#
#    0 AMB  20-2:1120    52 ILE  QD1         4.50    (#   1120:20  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 791,
 igr2= 785, 786, 787,
 &end
#
#    0 AMB  20-2:1121    52 ILE  QD1         5.50    (#   1121:20  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 673,  31, 697,
 igr2= 785, 786, 787,
 &end
#
#    0 AMB  20-2:1123    52 ILE  QD1         5.50    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 641, 561, 595,
 igr2= 785, 786, 787,
 &end
#
#    0 AMB  20-2:1127    52 ILE  QD1         3.50    (#   1127:20  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 563, 612,
 igr2= 785, 786, 787,
 &end
#
#    0 AMB  20-2:1140     3 ILE  QG2         3.50    (#   1140:20  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 776,  76,  77, 811, 812,
 igr2=  37,  38,  39,
 &end
#
#    0 AMB  20-2:1141     3 ILE  QG2         2.80    (#   1141:20  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  35, 811, 812,
 igr2=  37,  38,  39,
 &end
#
#    0 AMB  20-2:1145    52 ILE  QG2         4.50    (#   1145:20  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 308, 289,
 igr2= 778, 779, 780,
 &end
#
#    0 AMB  20-2:1149     3 ILE  QG2         3.50    (#   1149:20  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  50, 807,
 igr2=  37,  38,  39,
 &end
#
#    0 AMB  20-2:1150    52 ILE  QG2         3.50    (#   1150:20  Single Ambig)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 807,  50,
 igr2= 778, 779, 780,
 &end
#
#    0 AMB  20-2:1158    52 ILE  QG2         4.50    (#   1158:20  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 811, 812, 614, 615,  35,
 igr2= 778, 779, 780,
 &end
#
#    0 AMB  20-2:1159    52 ILE  QG2         3.50    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 294, 814, 815,
 igr2= 778, 779, 780,
 &end
#
#    0 AMB  20-2:1160    52 ILE  QG2         3.50    (#   1160:20  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 565, 566, 817, 818,
 igr2= 778, 779, 780,
 &end
#
#    0 AMB  20-2:1161    52 ILE  QG2         3.50    (#   1161:20  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 291, 292, 814, 815,
 igr2= 778, 779, 780,
 &end
#
#    0 AMB  20-2:1171    57 VAL  MGX         4.50    (#   1171:20  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 374,1032,
 igr2= 866, 867, 868, 870, 871, 872,
 &end
#
#    0 AMB  20-2:1181    72 ILE  QG2         5.50    (#   1181:20  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1067,1068,1094,1095,
 igr2=1080,1081,1082,
 &end
#
#    0 AMB  20-2:1184    72 ILE  QG2         5.50    (#   1184:20  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1100,1101,1050,1051,
 igr2=1080,1081,1082,
 &end
#
#    0 AMB  20-2:1187    72 ILE  QG2         3.50    (#   1187:20  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 866, 867, 868, 870, 871, 872,1084,1085,
 igr2=1080,1081,1082,
 &end
#
#    0 AMB  20-2:1191    72 ILE  QG2         3.50    (#   1191:20  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1103, 330,
 igr2=1080,1081,1082,
 &end
#
#    0 AMB  20-2:1194    72 ILE  QG2         5.50    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 372, 336, 344,
 igr2=1080,1081,1082,
 &end
#
#    0 AMB  20-2:1197    72 ILE  QG2         3.50    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1107,1074,
 igr2=1080,1081,1082,
 &end
#
#    0 AMB  20-2:1199    69 VAL  MGY         4.50    (#   1199:20  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1107,1074,
 igr2=1036,1037,1038,1040,1041,1042,
 &end
#
#    0 AMB  20-2:1204     0 AMB  20-1:1204   5.50    (#   1204:20  Double Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1311, 328,
 igr2=1165,1166,1167,1169,1170,1171,1036,1037,1038,1040,
      1041,1042,
 &end
#
#    0 AMB  20-2:1215     0 AMB  20-1:1215   4.50    (#   1215:20  Double Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1572,1284,1324,1065,
 igr2=1165,1166,1167,1169,1170,1171,1036,1037,1038,1040,
      1041,1042,
 &end
#
#    0 AMB  20-2:1220    77 VAL  MGX         4.50    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 271,1140,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  20-2:1224    77 VAL  MGX         4.50    (#   1224:20  Single Ambig)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1282,1518,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  20-2:1226    77 VAL  MGX         3.50    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289,1142,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  20-2:1227    77 VAL  MGX         4.50    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1572,1284,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  20-2:1233    77 VAL  MGX         2.80    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1163,1503,1504,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  20-2:1240    20 VAL  MGY         3.50    (#   1240:20  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 233, 750,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
#    0 AMB  20-2:1251    20 VAL  MGY         2.80    (#   1251:20  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 754, 755, 275,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
#    0 AMB  20-2:1264    19 VAL  MGX         5.50    (#   1264:20  Single Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 287,1194,
 igr2= 261, 262, 263, 265, 266, 267,
 &end
#
#    0 AMB  20-2:1275    74 THR  MG2         4.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1311, 328,
 igr2=1113,1114,1115,
 &end
#
#    0 AMB  20-2:1277    74 THR  MG2         4.50    (#   1277:20  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1338,1107,
 igr2=1113,1114,1115,
 &end
#
#    0 AMB  20-2:1284    74 THR  MG2         5.50    (#   1284:20  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 318, 330,1103,
 igr2=1113,1114,1115,
 &end
#
#    0 AMB  20-2:1297    38 VAL  MGY         3.50    (#   1297:20  Single Ambig)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536, 506,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:1306    38 VAL  MGY         4.50    (#   1306:20  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 532, 533,1450, 523,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:1307    38 VAL  MGY         3.50    (#   1307:20  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 504,1397,
 igr2= 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:1320     7 THR  MG2         2.80    (#   1320:20  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 100, 831,
 igr2= 104, 105, 106,
 &end
#
#    0 AMB  20-2:1330    22 ALA  MB          4.50    (#   1330:20  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 791, 807,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1332    22 ALA  MB          3.50    (#   1332:20  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 316, 328,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1334    22 ALA  MB          4.50    (#   1334:20  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 318, 330, 809, 774,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1336    22 ALA  MB          3.50    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145, 795,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1341    22 ALA  MB          3.50    (#   1341:20  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 835, 836, 837, 214, 215, 216,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1343   100 VAL  MGY         4.50    (#   1343:20  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1499,1548,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1350   100 VAL  MGY         2.80    (#   1350:20  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1522, 684, 685, 686,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1351   100 VAL  MGY         3.50    (#   1351:20  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1591,1592,1503,1504,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1365     4 VAL  MGY         4.50    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  79,  80, 763, 764,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
#    0 AMB  20-2:1376     0 AMB  20-1:1376   3.50    (#   1376:20  Double Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1518,1282,
 igr2=1524,1525,1526,1528,1529,1530,1256,1257,1258,1260,
      1261,1262,
 &end
#
#    0 AMB  20-2:1377   100 VAL  MGX         4.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1499,1548,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1382     2 ALA  MB          5.50    (#   1382:20  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  50, 772,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:1405     0 AMB  20-1:1405   4.50    (#   1405:20  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1440,1367,
 igr2=1391,1392,1391,1392,
 &end
#
#    0 AMB  20-2:1417    42 LEU  HG          4.50    (#   1417:20  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1408,1409, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:1426     0 AMB  20-1:1426   4.50    (#   1426:20  Double Ambig)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 400, 401, 374,
 igr2= 386, 387, 386, 387,
 &end
#
#    0 AMB  20-2:1427    27 PRO  HG-         4.50    (#   1427:20  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 400, 401, 374,
 igr2= 386, 387,
 &end
#
#    0 AMB  20-2:1448    50 LEU  HG          2.80    (#   1448:20  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746, 261, 262, 263, 265, 266, 267,
 &end
#
#    0 AMB  20-2:1450     3 ILE  HG1-        4.50    (#   1450:20  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772,  50, 807,
 igr2=  41,  42,
 &end
#
#    0 AMB  20-2:1470     0 AMB  20-1:1470   4.50    (#   1470:20  Double Ambig)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 116, 117, 907, 908, 116, 117,
 igr2= 921, 922, 921, 922, 128, 129,
 &end
#
#    0 AMB  20-2:1471     0 AMB  20-1:1471   5.50    (#   1471:20  Double Ambig)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 633, 634,1538,1539,
 igr2= 584, 585,1471,1472,
 &end
#
#    0 AMB  20-2:1472     0 AMB  20-1:1472   2.80    (#   1472:20  Double Ambig)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 131, 132, 680, 681,
 igr2= 128, 129,1471,1472,
 &end
#
#    0 AMB  20-2:1473     0 AMB  20-1:1473   4.50    (#   1473:20  Double Ambig)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1408,1409, 104, 105, 106,
 igr2=1471,1472, 128, 129,
 &end
#
#    0 AMB  20-2:1474     0 AMB  20-1:1474   4.50    (#   1474:20  Double Ambig)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1442,1443,1444, 967, 968, 969,1552,1553,
 igr2=1488,1489, 921, 922,1488,1489,
 &end
#
#    0 AMB  20-2:1482     0 AMB  20-1:1482   2.80    (#   1482:20  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1430,1431, 665, 666, 680, 681,
 igr2=1427,1428,1471,1472,1471,1472,
 &end
#
#    0 AMB  20-2:1510     0 AMB  20-1:1510   3.50    (#   1510:20  Double Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 154,1032,
 igr2= 197, 198,1034,
 &end
#
#    0 AMB  20-2:1514     0 AMB  20-1:1514   2.80    (#   1514:20  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1198,1199,  73,  74,1201,1202,
 igr2=1204,1205,  76,  77,1204,1205,
 &end
#
#    0 AMB  20-2:1516     0 AMB  20-1:1516   2.80    (#   1516:20  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  79,  80,1207,1208,
 igr2=  76,  77,1204,1205,
 &end
#
#    0 AMB  20-2:1518     0 AMB  20-1:1518   4.50    (#   1518:20  Double Ambig)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 831,1572,
 igr2=  76,  77,1204,1205,
 &end
#
#    0 AMB  20-2:1521     0 AMB  20-1:1521   5.50    (#   1521:20  Double Ambig)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1266,1216,
 igr2=1204,1205,1204,1205,
 &end
#
#    0 AMB  20-2:1523    75 LEU  HG          5.50    (#   1523:20  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,1128, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328,1311, 316,
 &end
#
#    0 AMB  20-2:1527    75 LEU  HG          5.50    (#   1527:20  Single Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,1128, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1315,1316,1340,1341,
 &end
#
#    0 AMB  20-2:1543     0 AMB  20-1:1543   3.50    (#   1543:20  Double Ambig)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1094,1095,1340,1341,
 igr2=1097,1098,1097,1098,
 &end
#
#    0 AMB  20-2:1561     0 AMB  20-1:1561   5.50    (#   1561:20  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 392,  52,
 igr2= 470, 471,  73,  74,
 &end
#
#    0 AMB  20-2:1562     0 AMB  20-1:1562   3.50    (#   1562:20  Double Ambig)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 476, 477,  79,  80,
 igr2= 470, 471,  73,  74,
 &end
#
#    0 AMB  20-2:1570     0 AMB  20-1:1570   4.50    (#   1570:20  Double Ambig)
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1216,1266,
 igr2=1201,1202,1201,1202,
 &end
#
#    0 AMB  20-2:1572    79 LYS  HG-         3.50    (#   1572:20  Single Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 257,1196,
 igr2=1201,1202,
 &end
#
#    0 AMB  20-2:1573    79 LYS  HG-         4.50    (#   1573:20  Single Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1216,1266,
 igr2=1201,1202,
 &end
#
#    0 AMB  20-2:1574    51 LYS  HG-         4.50    (#   1574:20  Single Ambig)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772,  50, 791,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:1581    54 LYS  HG-         4.50    (#   1581:20  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 807,  50,
 igr2= 814, 815,
 &end
#
#    0 AMB  20-2:1589     0 AMB  20-1:1589   4.50    (#   1589:20  Double Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  50, 772, 791,
 igr2= 760, 761, 760, 761, 760, 761,
 &end
#
#    0 AMB  20-2:1613     0 AMB  20-1:1613   4.50    (#   1613:20  Double Ambig)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1442,1443,1444,1369,1370,
 igr2=1394,1395,1394,1395,
 &end
#
#    0 AMB  20-2:1614    92 PRO  HB-         5.50    (#   1614:20  Single Ambig)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1442,1443,1444,1369,1370,
 igr2=1394,1395,
 &end
#
#    0 AMB  20-2:1622    93 LYS  HB-         3.50    (#   1622:20  Single Ambig)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1408,1409, 551, 552, 553, 555, 556, 557,
 igr2=1405,1406,
 &end
#
#    0 AMB  20-2:1623     0 AMB  20-1:1623   3.50    (#   1623:20  Double Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 104, 105, 106,1408,1409, 987, 988,
 igr2= 892, 893,1405,1406, 984, 985,
 &end
#
#    0 AMB  20-2:1626     0 AMB  20-1:1626   4.50    (#   1626:20  Double Ambig)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 993, 994,1414,1415,
 igr2= 984, 985,1405,1406,
 &end
#
#    0 AMB  20-2:1639    17 GLU  HB-         5.50    (#   1639:20  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 250, 251, 226, 227, 224,
 igr2= 237, 238,
 &end
#
#    0 AMB  20-2:1640     0 AMB  20-1:1640   5.50    (#   1640:20  Double Ambig)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 250, 251, 226, 227, 224,
 igr2= 237, 238, 237, 238, 237, 238,
 &end
#
#    0 AMB  20-2:1641    17 GLU  HB-         5.50    (#   1641:20  Single Ambig)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 250, 251, 226, 227,
 igr2= 237, 238,
 &end
#
#    0 AMB  20-2:1642     0 AMB  20-1:1642   5.50    (#   1642:20  Double Ambig)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 250, 251, 226, 227,
 igr2= 237, 238, 237, 238,
 &end
#
#    0 AMB  20-2:1650     0 AMB  20-1:1650   4.50    (#   1650:20  Double Ambig)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  52,1397,
 igr2=  70,  71, 489, 490,
 &end
#
#    0 AMB  20-2:1653     0 AMB  20-1:1653   2.80    (#   1653:20  Double Ambig)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  73,  74, 811, 812,
 igr2=  70,  71,  70,  71,
 &end
#
#    0 AMB  20-2:1669     4 VAL  HB          2.80    (#   1669:20  Single Ambig)
 &rst
  ixpk= 1669, 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  20-2:1679    20 VAL  HB          4.50    (#   1679:20  Single Ambig)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 287,1194,
 &end
#
#    0 AMB  20-2:1682    20 VAL  HB          5.50    (#   1682:20  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1196, 257,
 &end
#
#    0 AMB  20-2:1687    20 VAL  HB          2.80    (#   1687:20  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 277, 278, 279, 281, 282, 283,1184,1185,1186,1188,
      1189,1190,
 &end
#
#    0 AMB  20-2:1692     0 AMB  20-1:1692   3.50    (#   1692:20  Double Ambig)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 580,1479,1480,
 igr2= 587, 588,1430,1431,
 &end
#
#    0 AMB  20-2:1701     0 AMB  20-1:1701   4.50    (#   1701:20  Double Ambig)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 912, 913, 610,
 igr2= 895, 896, 602, 603,
 &end
#
#    0 AMB  20-2:1706     0 AMB  20-1:1706   4.50    (#   1706:20  Double Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 547, 951,
 igr2= 602, 603, 941, 942,
 &end
#
#    0 AMB  20-2:1710     0 AMB  20-1:1710   2.80    (#   1710:20  Double Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 237, 238, 892, 893,
 igr2= 240, 241, 895, 896,
 &end
#
#    0 AMB  20-2:1712     0 AMB  20-1:1712   5.50    (#   1712:20  Double Ambig)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1=1408,1409, 565, 566, 104, 105, 106,
 igr2= 602, 603, 587, 588, 895, 896,
 &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= 5.56, r4= 6.06,
 igr1= 814, 815, 757, 758,
 igr2= 811, 812, 754, 755,
 &end
#
#    0 AMB  20-2:1731     0 AMB  20-1:1731   4.50    (#   1731:20  Double Ambig)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 277, 278, 279, 281, 282, 283,  37,  38,  39,
 igr2= 754, 755, 811, 812,
 &end
#
#    0 AMB  20-2:1741     0 AMB  20-1:1741   3.50    (#   1741:20  Double Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1286,1287,1163,
 igr2=1289,1290,1289,1290,
 &end
#
#    0 AMB  20-2:1748     0 AMB  20-1:1748   2.80    (#   1748:20  Double Ambig)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 716, 717, 512, 513,
 igr2= 713, 714,1100,1101,
 &end
#
#    0 AMB  20-2:1754     0 AMB  20-1:1754   5.50    (#   1754:20  Double Ambig)
 &rst
  ixpk= 1754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 273, 793,
 igr2= 754, 755, 754, 755,
 &end
#
#    0 AMB  20-2:1756     0 AMB  20-1:1756   4.50    (#   1756:20  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 772,  50,
 igr2= 754, 755, 754, 755,
 &end
#
#    0 AMB  20-2:1770     0 AMB  20-1:1770   3.50    (#   1770:20  Double Ambig)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1094,1095,1340,1341,
 igr2=1100,1101,1100,1101,
 &end
#
#    0 AMB  20-2:1771     0 AMB  20-1:1771   4.50    (#   1771:20  Double Ambig)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 454,1589,
 igr2=1100,1101, 713, 714,
 &end
#
#    0 AMB  20-2:1773     0 AMB  20-1:1773   4.50    (#   1773:20  Double Ambig)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1107,1338,
 igr2=1100,1101,1100,1101,
 &end
#
#    0 AMB  20-2:1774     0 AMB  20-1:1774   4.50    (#   1774:20  Double Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 452,1063,
 igr2=1100,1101,1050,1051,
 &end
#
#    0 AMB  20-2:1782     0 AMB  20-1:1782   5.50    (#   1782:20  Double Ambig)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1499,1548,
 igr2=1491,1492,1491,1492,
 &end
#
#    0 AMB  20-2:1789     0 AMB  20-1:1789   5.50    (#   1789:20  Double Ambig)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 965,1025,1026,
 igr2=1006,1007,1006,1007,
 &end
#
#    0 AMB  20-2:1791     0 AMB  20-1:1791   3.50    (#   1791:20  Double Ambig)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1010,1019,1002,
 igr2=1006,1007,1006,1007,
 &end
#
#    0 AMB  20-2:1793     3 ILE  HB          4.50    (#   1793:20  Single Ambig)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  50, 807,
 &end
#
#    0 AMB  20-2:1798    52 ILE  HB          2.80    (#   1798:20  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  41,  42, 778, 779, 780, 785, 786, 787,
 &end
#
#    0 AMB  20-2:1802    52 ILE  HB          3.50    (#   1802:20  Single Ambig)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 772,  50,
 &end
#
#    0 AMB  20-2:1811    35 ILE  HB          3.50    (#   1811:20  Single Ambig)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1097,1098, 489, 490,
 &end
#
#    0 AMB  20-2:1815    39 LEU  HB-         3.50    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 778, 779, 780, 785, 786, 787,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1816    39 LEU  HB-         2.80    (#   1816:20  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1822     0 AMB  20-1:1822   3.50    (#   1822:20  Double Ambig)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 318, 809,
 igr2= 320, 321, 320, 321,
 &end
#
#    0 AMB  20-2:1824     0 AMB  20-1:1824   4.50    (#   1824:20  Double Ambig)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 814, 815, 291, 292,
 igr2= 320, 321, 320, 321,
 &end
#
#    0 AMB  20-2:1826     0 AMB  20-1:1826   3.50    (#   1826:20  Double Ambig)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
       301, 302,
 igr2= 320, 321, 320, 321,
 &end
#
#    0 AMB  20-2:1831    56 ASP  HB-         5.50    (#   1831:20  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 831, 100,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:1832     0 AMB  20-1:1832   5.50    (#   1832:20  Double Ambig)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 831, 100,
 igr2= 852, 853, 852, 853,
 &end
#
#    0 AMB  20-2:1836    56 ASP  HB-         4.50    (#   1836:20  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 912, 913, 361,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:1842    72 ILE  HB          4.50    (#   1842:20  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1107,1074,
 &end
#
#    0 AMB  20-2:1851    96 LEU  HB-         3.50    (#   1851:20  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1455,1369,1370,
 igr2=1452,1453,
 &end
#
#    0 AMB  20-2:1853    96 LEU  HB-         3.50    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 551, 552, 553, 555, 556, 557,1130,1131,1132,1134,
      1135,1136, 515, 516, 517,
 igr2=1452,1453,
 &end
#
#    0 AMB  20-2:1854    96 LEU  HB-         3.50    (#   1854:20  Single Ambig)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1452,1453,
 &end
#
#    0 AMB  20-2:1858     0 AMB  20-1:1858   3.50    (#   1858:20  Double Ambig)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,  35,  73,  74,
 igr2= 820, 821, 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:1859     0 AMB  20-1:1859   3.50    (#   1859:20  Double Ambig)
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 811, 812, 568, 776,  76,  77,
 igr2= 820, 821, 820, 821, 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:1861     0 AMB  20-1:1861   3.50    (#   1861:20  Double Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 817, 818, 565, 566,
 igr2= 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:1863     0 AMB  20-1:1863   3.50    (#   1863:20  Double Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,  37,  38,  39,
 igr2= 820, 821, 820, 821, 820, 821,
 &end
#
#    0 AMB  20-2:1874     0 AMB  20-1:1874   4.50    (#   1874:20  Double Ambig)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 895, 896, 864,
 igr2= 880, 881, 880, 881, 907, 908,
 &end
#
#   57 VAL  MGY           0 AMB  20-1:1876   5.50    (#   1876:20  Single Ambig)
 &rst
  ixpk= 1876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 866, 867, 868, 870, 871, 872,
 igr2= 880, 881, 907, 908,
 &end
#
#   55 ILE  QG2           0 AMB  20-1:1880   5.50    (#   1880:20  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 835, 836, 837,
 igr2= 320, 321, 907, 908,
 &end
#
#    0 AMB  20-2:1882    23 ASP  HB-         4.50    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 igr2= 320, 321,
 &end
#
#    0 AMB  20-2:1884     0 AMB  20-1:1884   4.50    (#   1884:20  Double Ambig)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 814, 815, 866, 867, 868, 870, 871, 872, 291, 292,
      
 igr2= 320, 321, 907, 908,
 &end
#
#    0 AMB  20-2:1886    23 ASP  HB-         3.50    (#   1886:20  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 318, 809,
 igr2= 320, 321,
 &end
#
#    0 AMB  20-2:1894     0 AMB  20-1:1894   5.50    (#   1894:20  Double Ambig)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1235, 731,
 igr2=1220,1221, 701, 702,
 &end
#
#    0 AMB  20-2:1920     0 AMB  20-1:1920   4.50    (#   1920:20  Double Ambig)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 938, 939,  54,
 igr2= 993, 994, 763, 764,
 &end
#
#    0 AMB  20-2:1921     0 AMB  20-1:1921   4.50    (#   1921:20  Double Ambig)
 &rst
  ixpk= 1921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 448,
 igr2= 993, 994, 476, 477,
 &end
#
#    0 AMB  20-2:1924     0 AMB  20-1:1924   4.50    (#   1924:20  Double Ambig)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1367, 195,
 igr2=1378,1379, 763, 764,
 &end
#
#    0 AMB  20-2:1925     0 AMB  20-1:1925   4.50    (#   1925:20  Double Ambig)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1347, 982,
 igr2=1378,1379, 993, 994,
 &end
#
#    0 AMB  20-2:1926     0 AMB  20-1:1926   4.50    (#   1926:20  Double Ambig)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 953, 439, 440,
 igr2= 993, 994, 476, 477,
 &end
#
#    0 AMB  20-2:1928     0 AMB  20-1:1928   3.50    (#   1928:20  Double Ambig)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 277, 278, 279, 281, 282, 283, 987, 988,
 igr2= 763, 764, 993, 994,
 &end
#
#    4 VAL  MGY           0 AMB  20-1:1930   3.50    (#   1930:20  Single Ambig)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  56,  57,  58,  60,  61,  62,
 igr2=  79,  80, 763, 764,
 &end
#
#    0 AMB  20-2:1931     0 AMB  20-1:1931   2.80    (#   1931:20  Double Ambig)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1552,1553, 760, 761,
 igr2=1561,1562, 763, 764,
 &end
#
#    0 AMB  20-2:1932     0 AMB  20-1:1932   3.50    (#   1932:20  Double Ambig)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 757, 758,1555,1556, 814, 815,
 igr2= 763, 764,1561,1562,  79,  80,
 &end
#
#    0 AMB  20-2:1933     0 AMB  20-1:1933   3.50    (#   1933:20  Double Ambig)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1552,1553, 757, 758,
 igr2=1561,1562, 763, 764,
 &end
#
#    0 AMB  20-2:1934     0 AMB  20-1:1934   5.50    (#   1934:20  Double Ambig)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 709, 463,
 igr2= 722, 723, 476, 477,
 &end
#
#    0 AMB  20-2:1937     0 AMB  20-1:1937   4.50    (#   1937:20  Double Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 392, 711,
 igr2= 476, 477, 722, 723,
 &end
#
#    0 AMB  20-2:1939     0 AMB  20-1:1939   4.50    (#   1939:20  Double Ambig)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 389, 390, 684, 685, 686,
 igr2= 476, 477, 722, 723,
 &end
#
#    0 AMB  20-2:1941     0 AMB  20-1:1941   2.80    (#   1941:20  Double Ambig)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 713, 714, 473, 474, 811, 812,  76,  77,
 igr2= 722, 723, 476, 477,  79,  80,
 &end
#
#    0 AMB  20-2:1942     0 AMB  20-1:1942   3.50    (#   1942:20  Double Ambig)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 470, 471, 473, 474, 716, 717,
 igr2= 476, 477, 476, 477, 722, 723,
 &end
#
#    0 AMB  20-2:1943     0 AMB  20-1:1943   3.50    (#   1943:20  Double Ambig)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 igr2= 722, 723, 722, 723,
 &end
#
#    0 AMB  20-2:1957    43 ASP  HB-         5.50    (#   1957:20  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 587, 588, 645, 646,
 igr2= 633, 634,
 &end
#
#    0 AMB  20-2:1958     0 AMB  20-1:1958   5.50    (#   1958:20  Double Ambig)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 645, 646, 599, 600,
 igr2= 633, 634, 633, 634,
 &end
#
#    0 AMB  20-2:1963    43 ASP  HB-         3.50    (#   1963:20  Single Ambig)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 785, 786, 787,  41,  42,
 igr2= 633, 634,
 &end
#
#    0 AMB  20-2:1964     0 AMB  20-1:1964   3.50    (#   1964:20  Double Ambig)
 &rst
  ixpk= 1964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 785, 786, 787,  41,  42,
 igr2= 633, 634, 633, 634,
 &end
#
#    0 AMB  20-2:1983     0 AMB  20-1:1983   4.50    (#   1983:20  Double Ambig)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 261, 262, 263, 265, 266, 267,1508,1509,1510,1512,
      1513,1514, 740, 741, 742, 744, 745, 746,
 igr2=1574,1575,1574,1575,1574,1575,
 &end
#
#    0 AMB  20-2:1992    89 GLY  HA-         4.50    (#   1992:20  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1328,1329,1330,1332,1333,1334, 515, 516, 517,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:1994    89 GLY  HA-         5.50    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1100,1101,1326,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:2001    81 GLY  HA-         3.50    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 224, 226, 227,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:2003    81 GLY  HA-         5.50    (#   2003:20  Single Ambig)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1179,1180,1182,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:2008     0 AMB  20-1:2008   4.50    (#   2008:20  Double Ambig)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1010,1019,
 igr2= 975, 976, 975, 976,
 &end
#
#    0 AMB  20-2:2020    47 GLY  HA-         5.50    (#   2020:20  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 752, 675,
 igr2= 692, 693,
 &end
#
#    0 AMB  20-2:2021     0 AMB  20-1:2021   5.50    (#   2021:20  Double Ambig)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 752, 675,
 igr2= 692, 693, 692, 693,
 &end
#
#    0 AMB  20-2:2025    47 GLY  HA-         5.50    (#   2025:20  Single Ambig)
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 633, 634, 701, 702,
 igr2= 692, 693,
 &end
#
#    0 AMB  20-2:2026    47 GLY  HA-         5.50    (#   2026:20  Single Ambig)
 &rst
  ixpk= 2026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746,
 igr2= 692, 693,
 &end
#
#    0 AMB  20-2:2027     0 AMB  20-1:2027   5.50    (#   2027:20  Double Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746,
 igr2= 692, 693, 692, 693,
 &end
#
#    0 AMB  20-2:2032    30 GLY  HA-         4.50    (#   2032:20  Single Ambig)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 467, 468, 442, 443,
 igr2= 433, 434,
 &end
#
#    0 AMB  20-2:2033    30 GLY  HA-         5.50    (#   2033:20  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 470, 471, 473, 474,
 igr2= 433, 434,
 &end
#
#    0 AMB  20-2:2035     0 AMB  20-1:2035   4.50    (#   2035:20  Double Ambig)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 467, 468, 442, 443,
 igr2= 433, 434, 433, 434,
 &end
#
#    0 AMB  20-2:2061    91 LYS  HA          5.50    (#   2061:20  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136, 551,
       552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:2062    91 LYS  HA          3.50    (#   2062:20  Single Ambig)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1369,1370,1442,1443,1444,
 &end
#
#    0 AMB  20-2:2064    95 ALA  HA          5.50    (#   2064:20  Single Ambig)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1391,1392,1503,1504,
 &end
#
#    0 AMB  20-2:2066    95 ALA  HA          4.50    (#   2066:20  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1491,1492,1474,1475,
 &end
#
#    0 AMB  20-2:2067    95 ALA  HA          4.50    (#   2067:20  Single Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1491,1492,1394,1395,
 &end
#
#    0 AMB  20-2:2068    95 ALA  HA          5.50    (#   2068:20  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1388,1389,1403,
 &end
#
#    0 AMB  20-2:2069    95 ALA  HA          4.50    (#   2069:20  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1450,1486,
 &end
#
#    0 AMB  20-2:2075    59 GLU  HA          2.80    (#   2075:20  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 895, 896, 892, 893,
 &end
#
#    0 AMB  20-2:2078    59 GLU  HA          5.50    (#   2078:20  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 880, 881, 907, 908,
 &end
#
#    0 AMB  20-2:2095   101 ASN  HA          4.50    (#   2095:20  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1550,1486,
 &end
#
#    0 AMB  20-2:2098   101 ASN  HA          4.50    (#   2098:20  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 684, 685, 686,1522,
 &end
#
#    0 AMB  20-2:2101   101 ASN  HA          3.50    (#   2101:20  Single Ambig)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  20-2:2103   104 LEU  HA          2.80    (#   2103:20  Single Ambig)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  20-2:2111    49 LYS  HA          5.50    (#   2111:20  Single Ambig)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  20-2:2117     0 AMB  20-1:2117   2.80    (#   2117:20  Double Ambig)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 489, 490, 197, 198,
 igr2= 487, 195,
 &end
#
#    0 AMB  20-2:2119     0 AMB  20-1:2119   5.50    (#   2119:20  Double Ambig)
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.13, r4=10.63,
 igr1= 551, 552, 553, 555, 556, 557,1201,1202,  92,  93,
        94,1198,1199,
 igr2= 487,1589, 195,
 &end
#
#    0 AMB  20-2:2120    43 ASP  HA          3.50    (#   2120:20  Single Ambig)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 785, 786, 787, 740, 741, 742, 744, 745, 746, 740,
       741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2121     0 AMB  20-1:2121   4.50    (#   2121:20  Double Ambig)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=  44,  45,  46, 277, 278, 279, 281, 282, 283, 619,
       620, 621, 623, 624, 625, 619, 620, 621, 623, 624,
       625,
 igr2= 631, 195,
 &end
#
#    0 AMB  20-2:2124     0 AMB  20-1:2124   5.50    (#   2124:20  Double Ambig)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 463, 709,
 igr2= 487, 631,
 &end
#
#    0 AMB  20-2:2127    43 ASP  HA          4.50    (#   2127:20  Single Ambig)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 673, 697,
 &end
#
#    0 AMB  20-2:2135     8 ASP  HA          5.50    (#   2135:20  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=  92,  93,  94, 104, 105, 106, 833,
 &end
#
#    0 AMB  20-2:2139    67 TYR  HA          4.50    (#   2139:20  Single Ambig)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1025,1026, 965,
 &end
#
#    0 AMB  20-2:2143    67 TYR  HA          3.50    (#   2143:20  Single Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1010,1019,1002,
 &end
#
#    0 AMB  20-2:2153     0 AMB  20-1:2153   2.80    (#   2153:20  Double Ambig)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1401,  50,
 igr2=1397,  52,
 &end
#
#    0 AMB  20-2:2154    92 PRO  HA          4.50    (#   2154:20  Single Ambig)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1388,1389,1403,
 &end
#
#    0 AMB  20-2:2159     0 AMB  20-1:2159   3.50    (#   2159:20  Double Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 551, 552, 553, 555, 556, 557,  73,  74,
 igr2=1397,  52,
 &end
#
#    0 AMB  20-2:2163     0 AMB  20-1:2163   3.50    (#   2163:20  Double Ambig)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 275,1391,1392,
 igr2= 210,1397,
 &end
#
#    0 AMB  20-2:2164     0 AMB  20-1:2164   4.50    (#   2164:20  Double Ambig)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1179,1180,  73,  74,  35, 811, 812,
 igr2= 210,  52,
 &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= 8.18, r4= 8.68,
 igr1=1369,1370,1455,1442,1443,1444, 757, 758,  25,  26,
        27, 795,
 igr2=1397,  52, 210,
 &end
#
#   53 VAL  MGY           0 AMB  20-1:2168   4.50    (#   2168:20  Single Ambig)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 210,  52,
 &end
#
#    0 AMB  20-2:2181     0 AMB  20-1:2181   2.80    (#   2181:20  Double Ambig)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1272,1273,1274,1276,1277,1278,  56,  57,  58,  60,
        61,  62,
 igr2=1268,  33,
 &end
#
#    0 AMB  20-2:2188    35 ILE  HA          5.50    (#   2188:20  Single Ambig)
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 547, 456,
 &end
#
#    0 AMB  20-2:2189    35 ILE  HA          5.50    (#   2189:20  Single Ambig)
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 523,1347,
 &end
#
#    0 AMB  20-2:2196    35 ILE  HA          4.50    (#   2196:20  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  20-2:2197    35 ILE  HA          3.50    (#   2197:20  Single Ambig)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 515, 516, 517, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:2203    27 PRO  HA          4.50    (#   2203:20  Single Ambig)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 363, 372,
 &end
#
#    0 AMB  20-2:2208    37 PRO  HA          4.50    (#   2208:20  Single Ambig)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 561,
 &end
#
#    0 AMB  20-2:2209    37 PRO  HA          3.50    (#   2209:20  Single Ambig)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 532, 533, 523,
 &end
#
#    0 AMB  20-2:2211    37 PRO  HA          2.80    (#   2211:20  Single Ambig)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 538, 539, 587, 588,
 &end
#
#    0 AMB  20-2:2221     0 AMB  20-1:2221   5.50    (#   2221:20  Double Ambig)
 &rst
  ixpk= 2221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 183, 193,
 igr2= 145, 146, 145, 146,
 &end
#
#    0 AMB  20-2:2250    32 CYS  HA          5.50    (#   2250:20  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 512, 513, 473, 474, 470, 471,
 &end
#
#    0 AMB  20-2:2252    32 CYS  HA          4.50    (#   2252:20  Single Ambig)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:2260     3 ILE  HA          2.80    (#   2260:20  Single Ambig)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  50, 772,
 &end
#
#    0 AMB  20-2:2271    58 ASP  HA          5.50    (#   2271:20  Single Ambig)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 864, 895, 896,
 &end
#
#    0 AMB  20-2:2275     0 AMB  20-1:2275   4.50    (#   2275:20  Double Ambig)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 187, 188, 189, 716, 717,
 igr2= 195,1589,
 &end
#
#    0 AMB  20-2:2291    82 GLU  HA          4.50    (#   2291:20  Single Ambig)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1252, 224,
 &end
#
#    0 AMB  20-2:2317     0 AMB  20-1:2317   4.50    (#   2317:20  Double Ambig)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1286,1287,1552,1553,
 igr2=1284,1572,
 &end
#
#    0 AMB  20-2:2320    50 LEU  HA          3.50    (#   2320:20  Single Ambig)
 &rst
  ixpk= 2320, nxpk= 20, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
       745, 746,
 &end
#
#    0 AMB  20-2:2326    36 ALA  MB          3.50    (#   2326:20  Single Ambig)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 820, 821, 535, 536, 584, 585,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:2327    36 ALA  MB          4.50    (#   2327:20  Single Ambig)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 587, 588, 538, 539,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:2329    36 ALA  MB          2.80    (#   2329:20  Single Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 532, 533, 523,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:2331    36 ALA  MB          4.50    (#   2331:20  Single Ambig)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 541, 504, 392,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:2333    36 ALA  MB          4.50    (#   2333:20  Single Ambig)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 365, 545,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:2343    35 ILE  QD1         4.50    (#   2343:20  Single Ambig)
 &rst
  ixpk= 2343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 454,1367,
 igr2= 515, 516, 517,
 &end
#
#    0 AMB  20-2:2359    35 ILE  QG2         5.50    (#   2359:20  Single Ambig)
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1365,1123,
 igr2= 508, 509, 510,
 &end
#
#    0 AMB  20-2:2380    35 ILE  QG2         4.50    (#   2380:20  Single Ambig)
 &rst
  ixpk= 2380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 565, 566, 817, 818, 551, 552, 553, 555, 556, 557,
      
 igr2= 508, 509, 510,
 &end
#
#    0 AMB  20-2:2381    35 ILE  QG2         3.50    (#   2381:20  Single Ambig)
 &rst
  ixpk= 2381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 igr2= 508, 509, 510,
 &end
#
#    0 AMB  20-2:2383    35 ILE  QG2         3.50    (#   2383:20  Single Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1097,1098, 568,
 igr2= 508, 509, 510,
 &end
#
#    0 AMB  20-2:2387    13 ALA  MB          2.80    (#   2387:20  Single Ambig)
 &rst
  ixpk= 2387, 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  20-2:2405     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= 8.32, r4= 8.82,
 igr1=1046, 152,
 igr2= 967, 968, 969, 187, 188, 189,
 &end
#
#    0 AMB  20-2:2421    95 ALA  MB          4.50    (#   2421:20  Single Ambig)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1394,1395,1430,1431,
 igr2=1442,1443,1444,
 &end
#
#    0 AMB  20-2:2423    95 ALA  MB          4.50    (#   2423:20  Single Ambig)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1394,1395,1491,1492,
 igr2=1442,1443,1444,
 &end
#
#    0 AMB  20-2:2433    46 MET  ME          4.50    (#   2433:20  Single Ambig)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1543,1544,1479,1480,
 igr2= 684, 685, 686,
 &end
#
#    0 AMB  20-2:2437     6 ALA  MB          5.50    (#   2437:20  Single Ambig)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 193, 183,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  20-2:2439     6 ALA  MB          4.50    (#   2439:20  Single Ambig)
 &rst
  ixpk= 2439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 152,  66,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  20-2:2451     6 ALA  MB          4.50    (#   2451:20  Single Ambig)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 214, 215, 216, 835, 836, 837,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  20-2:2458     0 AMB  20-1:2458   4.50    (#   2458:20  Double Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 965,1520,
 igr2= 866, 867, 868, 870, 871, 872,1555,1556,
 &end
#
#    0 AMB  20-2:2459     0 AMB  20-1:2459   2.80    (#   2459:20  Double Ambig)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 862,1550,1501,
 igr2= 866, 867, 868, 870, 871, 872,1555,1556,
 &end
#
#    0 AMB  20-2:2477    83 VAL  MGY         2.80    (#   2477:20  Single Ambig)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1184,1185,1186,1188,1189,1190,1147,
 igr2=1256,1257,1258,1260,1261,1262,
 &end
#
#    0 AMB  20-2:2479    96 LEU  MDY         5.50    (#   2479:20  Single Ambig)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1403,1315,1316,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
#    0 AMB  20-2:2487    53 VAL  MGY         2.80    (#   2487:20  Single Ambig)
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 807, 791,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  20-2:2490    53 VAL  MGY         4.50    (#   2490:20  Single Ambig)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  90, 831,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  20-2:2491    53 VAL  MGY         4.50    (#   2491:20  Single Ambig)
 &rst
  ixpk= 2491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 210,  52,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  20-2:2494    53 VAL  MGY         2.80    (#   2494:20  Single Ambig)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 835, 836, 837, 214, 215, 216,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  20-2:2498    53 VAL  MGY         3.50    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 197, 198, 754, 755,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  20-2:2503     0 AMB  20-1:2503   2.80    (#   2503:20  Double Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1034,1163,1503,1504,
 igr2=1036,1037,1038,1040,1041,1042,1165,1166,1167,1169,
      1170,1171,
 &end
#
#    0 AMB  20-2:2504     0 AMB  20-1:2504   3.50    (#   2504:20  Double Ambig)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 965,1520,1025,1026,
 igr2=1036,1037,1038,1040,1041,1042,1165,1166,1167,1169,
      1170,1171,
 &end
#
#    0 AMB  20-2:2507    77 VAL  MGY         4.50    (#   2507:20  Single Ambig)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1282,1518,
 igr2=1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  20-2:2542    63 THR  MG2         4.50    (#   2542:20  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 963, 141,
 igr2= 955, 956, 957,
 &end
#
#    0 AMB  20-2:2543    63 THR  MG2         5.50    (#   2543:20  Single Ambig)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 980,  98,
 igr2= 955, 956, 957,
 &end
#
#    0 AMB  20-2:2556    20 VAL  MGX         2.80    (#   2556:20  Single Ambig)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 754, 755, 275,
 igr2= 277, 278, 279, 281, 282, 283,
 &end
#
#    0 AMB  20-2:2558     0 AMB  20-1:2558   2.80    (#   2558:20  Double Ambig)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 866, 867, 868, 870, 871, 872, 310, 311, 312, 291,
       292,
 igr2=1036,1037,1038,1040,1041,1042, 277, 278, 279, 281,
       282, 283,1165,1166,1167,1169,1170,1171,
 &end
#
#   22 ALA  HN            0 AMB  20-1:2562   4.50    (#   2562:20  Single Ambig)
 &rst
  ixpk= 2562, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 277, 278, 279, 281, 282, 283,1165,1166,1167,1169,
      1170,1171,
 &end
#
#    0 AMB  20-2:2569    86 THR  MG2         5.50    (#   2569:20  Single Ambig)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1125,1126,1128,
 igr2=1303,1304,1305,
 &end
#
#    0 AMB  20-2:2570    86 THR  MG2         4.50    (#   2570:20  Single Ambig)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1036,1037,1038,1040,1041,1042,1147,
 igr2=1303,1304,1305,
 &end
#
#    0 AMB  20-2:2573     4 VAL  MGX         5.50    (#   2573:20  Single Ambig)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  79,  80, 763, 764,
 igr2=  56,  57,  58,  60,  61,  62,
 &end
#
#   23 ASP  HB-           0 AMB  20-1:2586   4.50    (#   2586:20  Single Ambig)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 320, 321,
 igr2= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
       301, 302,
 &end
#
#    0 AMB  20-2:2588     0 AMB  20-1:2588   5.50    (#   2588:20  Double Ambig)
 &rst
  ixpk= 2588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 318, 774, 809,
 igr2= 296, 297, 298, 300, 301, 302, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  20-2:2592     0 AMB  20-1:2592   3.50    (#   2592:20  Double Ambig)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 820, 821, 320, 321, 320, 321,
 igr2= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
       301, 302,
 &end
#
#    0 AMB  20-2:2593     0 AMB  20-1:2593   2.80    (#   2593:20  Double Ambig)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 568,1452,1453,1128, 776,
 igr2= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
       301, 302,
 &end
#
#   76 LEU  HN            0 AMB  20-1:2595   4.50    (#   2595:20  Single Ambig)
 &rst
  ixpk= 2595, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2= 296, 297, 298, 300, 301, 302,1147,1184,1185,1186,
      1188,1189,1190,
 &end
#
#   67 TYR  HD            0 AMB  20-1:2596   4.50    (#   2596:20  Single Ambig)
 &rst
  ixpk= 2596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1010,1019,
 igr2=1147,1184,1185,1186,1188,1189,1190,
 &end
#
#   67 TYR  HE            0 AMB  20-1:2597   3.50    (#   2597:20  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1012,1017,
 igr2=1184,1185,1186,1188,1189,1190,1147,
 &end
#
#    0 AMB  20-2:2599     0 AMB  20-1:2599   2.80    (#   2599:20  Double Ambig)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1144,1145, 782, 783,
 igr2=1184,1185,1186,1188,1189,1190,1147, 296, 297, 298,
       300, 301, 302,
 &end
#
#    0 AMB  20-2:2603     0 AMB  20-1:2603   2.80    (#   2603:20  Double Ambig)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1256,1257,1258,1260,1261,1262, 310, 311, 312,
 igr2=1184,1185,1186,1188,1189,1190,1147,
 &end
#
#    0 AMB  20-2:2604    78 LEU  MDX         2.80    (#   2604:20  Single Ambig)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1256,1257,1258,1260,1261,1262, 310, 311, 312,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  20-2:2605    78 LEU  MDY         2.80    (#   2605:20  Single Ambig)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1179,1180,1182,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  20-2:2612    78 LEU  MDX         4.50    (#   2612:20  Single Ambig)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 289,1142, 308,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  20-2:2617     0 AMB  20-1:2617   4.50    (#   2617:20  Double Ambig)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1235,1282,
 igr2=1184,1185,1186,1188,1189,1190,1147,
 &end
#
#    0 AMB  20-2:2619    78 LEU  MDX         4.50    (#   2619:20  Single Ambig)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1194, 287,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  20-2:2620    78 LEU  MDX         4.50    (#   2620:20  Single Ambig)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1140, 271,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  20-2:2621    78 LEU  MDY         4.50    (#   2621:20  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1194, 287,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
#   75 LEU  HA            0 AMB  20-1:2627   5.50    (#   2627:20  Single Ambig)
 &rst
  ixpk= 2627, nxpk= 20, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 296, 297, 298, 300, 301, 302,1149,1150,1151,1153,
      1154,1155,
 &end
#
#    0 AMB  20-2:2628     0 AMB  20-1:2628   3.50    (#   2628:20  Double Ambig)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1142, 289,
 igr2=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
       301, 302,
 &end
#
#    0 AMB  20-2:2629    21 LEU  MDX         5.50    (#   2629:20  Single Ambig)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 318, 774,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2631     0 AMB  20-1:2631   3.50    (#   2631:20  Double Ambig)
 &rst
  ixpk= 2631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 993, 994,1414,1415,
 igr2= 987, 988, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2632     0 AMB  20-1:2632   2.80    (#   2632:20  Double Ambig)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1125,1126, 984, 985, 782, 783,
 igr2= 296, 297, 298, 300, 301, 302, 987, 988,
 &end
#
#    0 AMB  20-2:2633    21 LEU  MDX         2.80    (#   2633:20  Single Ambig)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1125,1126, 294,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2635     0 AMB  20-1:2635   2.80    (#   2635:20  Double Ambig)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1455,1144,1145, 990, 991,
 igr2= 619, 620, 621, 623, 624, 625,1149,1150,1151,1153,
      1154,1155, 987, 988,
 &end
#
#    0 AMB  20-2:2636    21 LEU  MDX         5.50    (#   2636:20  Single Ambig)
 &rst
  ixpk= 2636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 287, 772,
 igr2= 296, 297, 298, 300, 301, 302,
 &end
#
#   76 LEU  HN            0 AMB  20-1:2637   4.50    (#   2637:20  Single Ambig)
 &rst
  ixpk= 2637, nxpk= 20, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
       301, 302,
 &end
#
#   78 LEU  HN            0 AMB  20-1:2638   5.50    (#   2638:20  Single Ambig)
 &rst
  ixpk= 2638, nxpk= 20, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 296, 297, 298, 300, 301, 302,1149,1150,1151,1153,
      1154,1155,
 &end
#
#    0 AMB  20-2:2640     0 AMB  20-1:2640   5.50    (#   2640:20  Double Ambig)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1159, 673,
 igr2=1149,1150,1151,1153,1154,1155, 619, 620, 621, 623,
       624, 625,
 &end
#
#    0 AMB  20-2:2641     0 AMB  20-1:2641   5.50    (#   2641:20  Double Ambig)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1518,1282,
 igr2= 619, 620, 621, 623, 624, 625,1149,1150,1151,1153,
      1154,1155, 296, 297, 298, 300, 301, 302,
 &end
#
#    0 AMB  20-2:2642    99 LEU  MDY         4.50    (#   2642:20  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1499,1548,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  20-2:2643     0 AMB  20-1:2643   4.50    (#   2643:20  Double Ambig)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1010,1019,1499,
 igr2=1149,1150,1151,1153,1154,1155,1508,1509,1510,1512,
      1513,1514,
 &end
#
#    0 AMB  20-2:2645    99 LEU  MDY         5.50    (#   2645:20  Single Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1297,1467,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  20-2:2655    99 LEU  MDY         3.50    (#   2655:20  Single Ambig)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  20-2:2658     0 AMB  20-1:2658   4.50    (#   2658:20  Double Ambig)
 &rst
  ixpk= 2658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1282,1518,
 igr2=1149,1150,1151,1153,1154,1155,1508,1509,1510,1512,
      1513,1514,
 &end
#
#    0 AMB  20-2:2659     0 AMB  20-1:2659   5.50    (#   2659:20  Double Ambig)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1311, 316,
 igr2=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
       301, 302,
 &end
#
#    0 AMB  20-2:2669   104 LEU  MDY         3.50    (#   2669:20  Single Ambig)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 259, 684, 685, 686,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
#    0 AMB  20-2:2670   104 LEU  MDY         2.80    (#   2670:20  Single Ambig)
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 713, 714,1594,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
#    0 AMB  20-2:2678    50 LEU  MDX         3.50    (#   2678:20  Single Ambig)
 &rst
  ixpk= 2678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 259,1522,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:2691    76 LEU  MDY         4.50    (#   2691:20  Single Ambig)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1125,1126, 984, 985,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
#    0 AMB  20-2:2694    76 LEU  MDY         2.80    (#   2694:20  Single Ambig)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1036,1037,1038,1040,1041,1042,1147,1184,1185,1186,
      1188,1189,1190,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
#    0 AMB  20-2:2695    76 LEU  MDY         2.80    (#   2695:20  Single Ambig)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1303,1304,1305,1113,1114,1115,
 igr2=1149,1150,1151,1153,1154,1155,
 &end
#
#    0 AMB  20-2:2697     0 AMB  20-1:2697   4.50    (#   2697:20  Double Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 772,  50, 791,
 igr2= 757, 758, 757, 758, 757, 758,
 &end
#
#    0 AMB  20-2:2699     0 AMB  20-1:2699   4.50    (#   2699:20  Double Ambig)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 809,1103,
 igr2= 814, 815,1084,1085,
 &end
#
#    0 AMB  20-2:2700     0 AMB  20-1:2700   3.50    (#   2700:20  Double Ambig)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 752,1065,
 igr2= 757, 758,1084,1085,
 &end
#
#    0 AMB  20-2:2708     0 AMB  20-1:2708   3.50    (#   2708:20  Double Ambig)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 463, 709,
 igr2= 470, 471, 716, 717,
 &end
#
#    0 AMB  20-2:2709     0 AMB  20-1:2709   3.50    (#   2709:20  Double Ambig)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 476, 477, 722, 723,
 igr2= 470, 471, 716, 717,
 &end
#
#    0 AMB  20-2:2711     0 AMB  20-1:2711   4.50    (#   2711:20  Double Ambig)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 igr2= 716, 717, 716, 717,
 &end
#
#    0 AMB  20-2:2715     0 AMB  20-1:2715   2.80    (#   2715:20  Double Ambig)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  70,  71,1204,1205,
 igr2=  73,  74,1201,1202,
 &end
#
#    0 AMB  20-2:2718     0 AMB  20-1:2718   3.50    (#   2718:20  Double Ambig)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 612, 982,
 igr2= 619, 620, 621, 623, 624, 625, 987, 988,
 &end
#
#    0 AMB  20-2:2724    42 LEU  MDX         5.50    (#   2724:20  Single Ambig)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1479,1480, 580,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2726    42 LEU  MDX         4.50    (#   2726:20  Single Ambig)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 680, 681, 665, 666,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2733    42 LEU  MDX         3.50    (#   2733:20  Single Ambig)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1522, 662, 663,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2734    42 LEU  MDY         3.50    (#   2734:20  Single Ambig)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1522, 662, 663,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2735    42 LEU  MDX         2.80    (#   2735:20  Single Ambig)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 614, 615, 617,1411,1412,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2736    42 LEU  MDY         2.80    (#   2736:20  Single Ambig)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 614, 615, 617,1411,1412,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  20-2:2738    96 LEU  MDX         3.50    (#   2738:20  Single Ambig)
 &rst
  ixpk= 2738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1369,1370,1455,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
#    0 AMB  20-2:2739    96 LEU  MDX         3.50    (#   2739:20  Single Ambig)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1452,1453, 568,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
#    0 AMB  20-2:2740    96 LEU  MDX         4.50    (#   2740:20  Single Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1403,1315,1316,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
#    0 AMB  20-2:2743    96 LEU  MDX         2.80    (#   2743:20  Single Ambig)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 551, 552, 553, 555, 556, 557,1130,1131,1132,1134,
      1135,1136, 515, 516, 517,
 igr2=1457,1458,1459,1461,1462,1463,
 &end
#
#    0 AMB  20-2:2744    75 LEU  MDX         3.50    (#   2744:20  Single Ambig)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1125,1126,1375,1376, 294,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:2745    75 LEU  MDX         3.50    (#   2745:20  Single Ambig)
 &rst
  ixpk= 2745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1369,1370,1372,1373,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:2746    75 LEU  MDX         2.80    (#   2746:20  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:2750    75 LEU  MDX         4.50    (#   2750:20  Single Ambig)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1378,1379,1100,1101,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:2754    75 LEU  MDX         4.50    (#   2754:20  Single Ambig)
 &rst
  ixpk= 2754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 328, 316,
 igr2=1130,1131,1132,1134,1135,1136,
 &end
#
#    0 AMB  20-2:2769     0 AMB  20-1:2769   2.80    (#   2769:20  Double Ambig)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 296, 297, 298, 300, 301, 302,1165,1166,1167,1169,
      1170,1171,
 igr2= 291, 292, 291, 292,
 &end
#
#    0 AMB  20-2:2778    50 LEU  HB-         2.80    (#   2778:20  Single Ambig)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
       745, 746, 740, 741, 742, 744, 745, 746,
 igr2= 735, 736,
 &end
#
#    0 AMB  20-2:2783     0 AMB  20-1:2783   3.50    (#   2783:20  Double Ambig)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1550,1501,
 igr2=1552,1553,1552,1553,
 &end
#
#    0 AMB  20-2:2789   102 LYS  HB-         3.50    (#   2789:20  Single Ambig)
 &rst
  ixpk= 2789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1550,1501,
 igr2=1552,1553,
 &end
#
#    0 AMB  20-2:2802    66 LYS  HB-         3.50    (#   2802:20  Single Ambig)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1010,1019,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:2818    19 VAL  HB          2.80    (#   2818:20  Single Ambig)
 &rst
  ixpk= 2818, nxpk= 20, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
       745, 746,
 &end
#
#    0 AMB  20-2:2839    83 VAL  HB          2.80    (#   2839:20  Single Ambig)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1256,1257,1258,1260,1261,1262,1149,1150,1151,1153,
      1154,1155,
 &end
#
#    0 AMB  20-2:2854    38 VAL  HB          2.80    (#   2854:20  Single Ambig)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 551, 552, 553, 555, 556, 557, 515, 516, 517,
 &end
#
#    0 AMB  20-2:2855    38 VAL  HB          4.50    (#   2855:20  Single Ambig)
 &rst
  ixpk= 2855, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1457,1458,1459,1461,1462,1463, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  20-2:2868     0 AMB  20-1:2868   2.80    (#   2868:20  Double Ambig)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 677, 678,1050,1051,
 igr2= 680, 681,1053,1054,
 &end
#
#    0 AMB  20-2:2870     0 AMB  20-1:2870   4.50    (#   2870:20  Double Ambig)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1534,1046,
 igr2= 680, 681,1053,1054,
 &end
#
#    0 AMB  20-2:2871     0 AMB  20-1:2871   4.50    (#   2871:20  Double Ambig)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1534,1046,
 igr2= 680, 681,1053,1054,
 &end
#
#    0 AMB  20-2:2876     0 AMB  20-1:2876   4.50    (#   2876:20  Double Ambig)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 612,1347,
 igr2= 680, 681, 445, 446,
 &end
#
#    0 AMB  20-2:2878     0 AMB  20-1:2878   4.50    (#   2878:20  Double Ambig)
 &rst
  ixpk= 2878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 617, 614, 615,
 igr2= 680, 681, 680, 681,
 &end
#
#    0 AMB  20-2:2879    46 MET  HG-         4.50    (#   2879:20  Single Ambig)
 &rst
  ixpk= 2879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 617, 614, 615,
 igr2= 680, 681,
 &end
#
#    0 AMB  20-2:2898     0 AMB  20-1:2898   3.50    (#   2898:20  Double Ambig)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1094,1095, 439, 440,
 igr2= 445, 446, 445, 446,
 &end
#
#    0 AMB  20-2:2907    53 VAL  HB          4.50    (#   2907:20  Single Ambig)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 214, 215, 216, 835, 836, 837,
 &end
#
#    0 AMB  20-2:2911     0 AMB  20-1:2911   2.80    (#   2911:20  Double Ambig)
 &rst
  ixpk= 2911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
       745, 746, 740, 741, 742, 744, 745, 746,
 igr2= 735, 736, 735, 736, 735, 736,
 &end
#
#    0 AMB  20-2:2925    21 LEU  HB-         3.50    (#   2925:20  Single Ambig)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 296, 297, 298, 300, 301, 302,1165,1166,1167,1169,
      1170,1171,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:2926    21 LEU  HB-         2.80    (#   2926:20  Single Ambig)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746, 778, 779, 780,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:2943     0 AMB  20-1:2943   5.50    (#   2943:20  Double Ambig)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1266,1216,
 igr2=1179,1180,1179,1180,
 &end
#
#    0 AMB  20-2:2946    78 LEU  HB-         5.50    (#   2946:20  Single Ambig)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1196,1161,
 igr2=1179,1180,
 &end
#
#    0 AMB  20-2:2947     0 AMB  20-1:2947   5.50    (#   2947:20  Double Ambig)
 &rst
  ixpk= 2947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1196, 257,
 igr2=1179,1180,1179,1180,
 &end
#
#    0 AMB  20-2:2952     0 AMB  20-1:2952   3.50    (#   2952:20  Double Ambig)
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
 igr2=1144,1145,1144,1145,
 &end
#
#    0 AMB  20-2:2953     0 AMB  20-1:2953   4.50    (#   2953:20  Double Ambig)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1113,1114,1115,1303,1304,1305,
 igr2=1144,1145,1144,1145,
 &end
#
#    0 AMB  20-2:2954    76 LEU  HB-         4.50    (#   2954:20  Single Ambig)
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1113,1114,1115,1303,1304,1305,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:2955    76 LEU  HB-         3.50    (#   2955:20  Single Ambig)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:2956    76 LEU  HB-         3.50    (#   2956:20  Single Ambig)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
      1261,1262,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:2957     0 AMB  20-1:2957   3.50    (#   2957:20  Double Ambig)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
      1261,1262,
 igr2=1144,1145,1144,1145,
 &end
#
#    0 AMB  20-2:2962     0 AMB  20-1:2962   4.50    (#   2962:20  Double Ambig)
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
 igr2=1179,1180,1179,1180,
 &end
#
#    0 AMB  20-2:2963    78 LEU  HB-         4.50    (#   2963:20  Single Ambig)
 &rst
  ixpk= 2963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
 igr2=1179,1180,
 &end
#
#    0 AMB  20-2:2964    78 LEU  HB-         3.50    (#   2964:20  Single Ambig)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
      1189,1190,
 igr2=1179,1180,
 &end
#
#    0 AMB  20-2:2965     0 AMB  20-1:2965   3.50    (#   2965:20  Double Ambig)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1184,1185,1186,1188,1189,1190,1147,
 igr2=1144,1145,1144,1145,
 &end
#
#    0 AMB  20-2:2966    76 LEU  HB-         3.50    (#   2966:20  Single Ambig)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1184,1185,1186,1188,1189,1190,1147,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:2979    75 LEU  HB-         5.50    (#   2979:20  Single Ambig)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1109,1161,
 igr2=1125,1126,
 &end
#
#    0 AMB  20-2:2991     0 AMB  20-1:2991   4.50    (#   2991:20  Double Ambig)
 &rst
  ixpk= 2991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1289,1290,1491,1492,
 igr2=1503,1504,1503,1504,
 &end
#
#    0 AMB  20-2:2992    99 LEU  HB-         5.50    (#   2992:20  Single Ambig)
 &rst
  ixpk= 2992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1289,1290,1491,1492,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:2993    99 LEU  HB-         4.50    (#   2993:20  Single Ambig)
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1522,1286,1287,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:2999    99 LEU  HB-         4.50    (#   2999:20  Single Ambig)
 &rst
  ixpk= 2999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:3006     0 AMB  20-1:3006   4.50    (#   3006:20  Double Ambig)
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 259, 684, 685, 686,
 igr2=1591,1592,1591,1592,
 &end
#
#    0 AMB  20-2:3007     0 AMB  20-1:3007   2.80    (#   3007:20  Double Ambig)
 &rst
  ixpk= 3007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 igr2=1591,1592,1591,1592,
 &end
#
#    0 AMB  20-2:3008     0 AMB  20-1:3008   2.80    (#   3008:20  Double Ambig)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 igr2=1591,1592,1591,1592,
 &end
#
#    0 AMB  20-2:3017     0 AMB  20-1:3017   3.50    (#   3017:20  Double Ambig)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 662, 663, 599, 600,1471,1472,1522,
 igr2= 614, 615, 614, 615, 614, 615, 614, 615,
 &end
#
#    0 AMB  20-2:3018     0 AMB  20-1:3018   3.50    (#   3018:20  Double Ambig)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 551, 552, 553, 555, 556, 557, 565, 566,1408,1409,
      
 igr2= 614, 615, 614, 615, 614, 615,
 &end
#
#    0 AMB  20-2:3019     0 AMB  20-1:3019   2.80    (#   3019:20  Double Ambig)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
       624, 625,
 igr2= 614, 615, 614, 615,
 &end
#
#    0 AMB  20-2:3020     0 AMB  20-1:3020   4.50    (#   3020:20  Double Ambig)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 595, 561, 641,
 igr2= 614, 615, 614, 615, 614, 615,
 &end
#
#    0 AMB  20-2:3023     0 AMB  20-1:3023   4.50    (#   3023:20  Double Ambig)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 igr2=1369,1370,1369,1370,
 &end
#
#    0 AMB  20-2:3024     0 AMB  20-1:3024   5.50    (#   3024:20  Double Ambig)
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1130,1131,1132,1134,1135,1136, 515, 516, 517,
 igr2=1369,1370,1369,1370,
 &end
#
#    0 AMB  20-2:3031     0 AMB  20-1:3031   3.50    (#   3031:20  Double Ambig)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1347, 982,
 igr2= 512, 513, 990, 991,
 &end
#
#    0 AMB  20-2:3042     0 AMB  20-1:3042   3.50    (#   3042:20  Double Ambig)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136,
 igr2= 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:3044     0 AMB  20-1:3044   3.50    (#   3044:20  Double Ambig)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  56,  57,  58,  60,  61,  62, 515, 516, 517,1130,
      1131,1132,1134,1135,1136,
 igr2= 760, 761, 512, 513,
 &end
#
#    0 AMB  20-2:3046    54 LYS  HD-         5.50    (#   3046:20  Single Ambig)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807,  50, 791,
 igr2= 817, 818,
 &end
#
#    0 AMB  20-2:3047     0 AMB  20-1:3047   5.50    (#   3047:20  Double Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 807,  50, 791,
 igr2= 817, 818, 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:3049     0 AMB  20-1:3049   3.50    (#   3049:20  Double Ambig)
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  37,  38,  39, 570, 571, 572, 574, 575, 576, 570,
       571, 572, 574, 575, 576,
 igr2= 817, 818, 817, 818, 817, 818,
 &end
#
#    0 AMB  20-2:3050    54 LYS  HD-         3.50    (#   3050:20  Single Ambig)
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  37,  38,  39, 570, 571, 572, 574, 575, 576, 570,
       571, 572, 574, 575, 576,
 igr2= 817, 818,
 &end
#
#    0 AMB  20-2:3056    52 ILE  HG1-        2.80    (#   3056:20  Single Ambig)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746, 785, 786, 787,
 igr2= 782, 783,
 &end
#
#    0 AMB  20-2:3075    39 LEU  HG          4.50    (#   3075:20  Single Ambig)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 565, 566, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  20-2:3076    39 LEU  HG          2.80    (#   3076:20  Single Ambig)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  20-2:3080   104 LEU  HG          3.50    (#   3080:20  Single Ambig)
 &rst
  ixpk= 3080, nxpk= 20, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  20-2:3087    96 LEU  HG          5.50    (#   3087:20  Single Ambig)
 &rst
  ixpk= 3087, nxpk= 20, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1403,1388,1389,
 &end
#
#    0 AMB  20-2:3089    96 LEU  HG          3.50    (#   3089:20  Single Ambig)
 &rst
  ixpk= 3089, nxpk= 20, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 &end
#
#    0 AMB  20-2:3098   104 LEU  MDX         3.50    (#   3098:20  Single Ambig)
 &rst
  ixpk= 3098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 259, 684, 685, 686,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
#    0 AMB  20-2:3100   104 LEU  MDX         2.80    (#   3100:20  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 713, 714,1594,
 igr2=1596,1597,1598,1600,1601,1602,
 &end
#
#    0 AMB  20-2:3103    50 LEU  MDY         3.50    (#   3103:20  Single Ambig)
 &rst
  ixpk= 3103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 259,1522,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:3105    50 LEU  MDY         3.50    (#   3105:20  Single Ambig)
 &rst
  ixpk= 3105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 782, 783, 735, 736,
 igr2= 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  20-2:3111    27 PRO  HD-         4.50    (#   3111:20  Single Ambig)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 363, 372,
 igr2= 383, 384,
 &end
#
#    0 AMB  20-2:3176    25 TRP  HD1         4.50    (#   3176:20  Single Ambig)
 &rst
  ixpk= 3176, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 330, 809,
 &end
#
#    0 AMB  20-2:3185    25 TRP  HD1         5.50    (#   3185:20  Single Ambig)
 &rst
  ixpk= 3185, nxpk= 20, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 320, 321, 820, 821,
 &end
#
#    0 AMB  20-2:3186    28 TRP  HD1         4.50    (#   3186:20  Single Ambig)
 &rst
  ixpk= 3186, nxpk= 20, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 406,1087,1088,1089,
 &end
#
#    0 AMB  20-2:3211    67 TYR  HD          5.50    (#   3211:20  Single Ambig)
 &rst
  ixpk= 3211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97,
 igr1=1036,1037,1038,1040,1041,1042,1147,1184,1185,1186,
      1188,1189,1190,
 igr2=1010,1019,
 &end
#
#    0 AMB  10-2:7       88 VAL  HN          5.50    (#      7:10  Single Ambig)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1303,1304,1305,1113,1114,1115,
 &end
#
#    0 AMB  10-2:25      80 ASP  HN          4.50    (#     25:10  Single Ambig)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1204,1205, 275, 237, 238,
 &end
#
#    0 AMB  10-2:30      22 ALA  HN          2.80    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 289, 308,
 &end
#
#    0 AMB  10-2:33      22 ALA  HN          4.50    (#     33:10  Single Ambig)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 294,1179,1180,
 &end
#
#    0 AMB  10-2:35      22 ALA  HN          2.80    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 296, 297, 298, 300, 301, 302,1184,1185,1186,1188,
      1189,1190,
 &end
#
#    0 AMB  10-2:39      78 LEU  HN          4.50    (#     39:10  Single Ambig)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1204,1205, 275,
 &end
#
#    0 AMB  10-2:41      78 LEU  HN          2.80    (#     41:10  Single Ambig)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
      1170,1171,
 &end
#
#    0 AMB  10-2:44      78 LEU  HN          3.50    (#     44:10  Single Ambig)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1179,1180,1182,
 &end
#
#    0 AMB  10-2:59      20 VAL  HN          2.80    (#     59:10  Single Ambig)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 257,1196,
 &end
#
#    0 AMB  10-2:60      20 VAL  HN          3.50    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 275,1204,1205,
 &end
#
#    0 AMB  10-2:62      20 VAL  HN          2.80    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
       282, 283, 740, 741, 742, 744, 745, 746,
 &end
#
#    0 AMB  10-2:66      15 THR  HN          3.50    (#     66:10  Single Ambig)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 212, 185,
 &end
#
#    0 AMB  10-2:77      75 LEU  HN          3.50    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1130,1131,1132,1134,1135,1136,1328,1329,1330,1332,
      1333,1334, 515, 516, 517,
 &end
#
#    0 AMB  10-2:89      56 ASP  HN          2.80    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 852, 853, 892, 893,
 &end
#
#    0 AMB  10-2:91      56 ASP  HN          4.50    (#     91:10  Single Ambig)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 833, 866, 867, 868, 870, 871, 872,
 &end
#
#    0 AMB  10-2:97       4 VAL  HN          4.50    (#     97:10  Single Ambig)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  66,  31,
 &end
#
#    0 AMB  10-2:100      4 VAL  HN          4.50    (#    100:10  Single Ambig)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  35, 811, 812,  73,  74,
 &end
#
#    0 AMB  10-2:108     24 PHE  HN          2.80    (#    108:10  Single Ambig)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 318, 330,
 &end
#
#    0 AMB  10-2:116     52 ILE  HN          3.50    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 740, 741, 742, 744, 745, 746,  41,  42, 785, 786,
       787, 778, 779, 780,
 &end
#
#   50 LEU  HG            0 AMB  10-1:118    3.50    (#    118:10  Single Ambig)
 &rst
  ixpk= 118, nxpk= 10, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 287, 772,
 &end
#
#    0 AMB  10-2:123     91 LYS  HN          3.50    (#    123:10  Single Ambig)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1369,1370,1372,1373,
 &end
#
#   51 LYS  HN            0 AMB  10-1:126    4.50    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 287, 772,
 &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= 3.96, r4= 4.46,
 igr1= 291, 292, 757, 758,
 igr2= 287, 772,
 &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= 5.09, r4= 5.59,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746, 277, 278, 279, 281, 282, 283,
 igr2= 287, 772,
 &end
#
#   20 VAL  MGX           0 AMB  10-1:132    2.80    (#    132:10  Single Ambig)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 277, 278, 279, 281, 282, 283,
 igr2= 287, 772,
 &end
#
#    0 AMB  10-2:147      6 ALA  HN          3.50    (#    147:10  Single Ambig)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  73,  74, 811, 812,
 &end
#
#    0 AMB  10-2:148      6 ALA  HN          2.80    (#    148:10  Single Ambig)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=  92,  93,  94, 833, 104, 105, 106,
 &end
#
#    0 AMB  10-2:165      5 LYS  HN          4.50    (#    165:10  Single Ambig)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 807,  50,
 &end
#
#    0 AMB  10-2:170      5 LYS  HN          4.50    (#    170:10  Single Ambig)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  73,  74, 811, 812,
 &end
#
#    0 AMB  10-2:171      5 LYS  HN          4.50    (#    171:10  Single Ambig)
 &rst
  ixpk= 171, 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  10-2:187    104 LEU  HN          5.50    (#    187:10  Single Ambig)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1550,1501,
 &end
#
#    0 AMB  10-2:192    104 LEU  HN          3.50    (#    192:10  Single Ambig)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  10-2:193     51 LYS  HN          4.50    (#    193:10  Single Ambig)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 287, 772,
 &end
#
#    0 AMB  10-2:199     51 LYS  HN          3.50    (#    199:10  Single Ambig)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 735, 736, 757, 758,
 &end
#
#   23 ASP  HN            0 AMB  10-1:208    4.50    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 807,
 &end
#
#    0 AMB  10-2:210      0 AMB  10-1:210    2.80    (#    210:10  Double Ambig)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 277, 278, 279, 281, 282, 283, 778, 779, 780,
 igr2= 791, 807,
 &end
#
#    0 AMB  10-2:212      0 AMB  10-1:212    2.80    (#    212:10  Double Ambig)
 &rst
  ixpk= 212, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 774, 809,
 igr2= 791, 807,
 &end
#
#   53 VAL  MGY           0 AMB  10-1:213    2.80    (#    213:10  Single Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 807, 791,
 &end
#
#    0 AMB  10-2:215      0 AMB  10-1:215    5.50    (#    215:10  Double Ambig)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  76,  77, 776,
 igr2= 807, 791,
 &end
#
#    0 AMB  10-2:216      0 AMB  10-1:216    3.50    (#    216:10  Double Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 291, 292, 310, 311, 312, 833,
 igr2= 791, 807,
 &end
#
#    0 AMB  10-2:221     83 VAL  HN          5.50    (#    221:10  Single Ambig)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1235,1282,
 &end
#
#    0 AMB  10-2:231      0 AMB  10-1:231    3.50    (#    231:10  Double Ambig)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 814, 815,1182,
 igr2= 807,1250,
 &end
#
#    0 AMB  10-2:243     36 ALA  HN          4.50    (#    243:10  Single Ambig)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 454, 487,
 &end
#
#    0 AMB  10-2:244     36 ALA  HN          2.80    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 532, 533, 523,
 &end
#
#    0 AMB  10-2:245     36 ALA  HN          4.50    (#    245:10  Single Ambig)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 506, 535, 536,
 &end
#
#    0 AMB  10-2:284     66 LYS  HN          2.80    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1002,1010,1019,
 &end
#
#    0 AMB  10-2:286     66 LYS  HN          2.80    (#    286:10  Single Ambig)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 982, 975, 976,
 &end
#
#    0 AMB  10-2:290     66 LYS  HN          4.50    (#    290:10  Single Ambig)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 990, 991, 967, 968, 969,
 &end
#
#    0 AMB  10-2:319      3 ILE  HN          4.50    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  50, 772,
 &end
#
#    0 AMB  10-2:331     57 VAL  HN          4.50    (#    331:10  Single Ambig)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 852, 853, 892, 893, 895, 896,
 &end
#
#    0 AMB  10-2:346     57 VAL  HN          4.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 376, 377, 378, 839, 840,
 &end
#
#    0 AMB  10-2:347     58 ASP  HN          5.50    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 895, 896, 864,
 &end
#
#    0 AMB  10-2:363     64 ALA  HN          2.80    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 965, 951,
 &end
#
#    0 AMB  10-2:376     62 GLU  HN          3.50    (#    376:10  Single Ambig)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 941, 942, 921, 922,
 &end
#
#    0 AMB  10-2:390     25 TRP  HN          4.50    (#    390:10  Single Ambig)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 336, 344, 372,
 &end
#
#    0 AMB  10-2:399     55 ILE  HN          2.80    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 809, 330,
 &end
#
#    0 AMB  10-2:403     55 ILE  HN          3.50    (#    403:10  Single Ambig)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 833, 310, 311, 312,
 &end
#
#    0 AMB  10-2:412     60 ASN  HD2-        3.50    (#    412:10  Single Ambig)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 892, 893, 852, 853,
 igr2= 912, 913,
 &end
#
#    0 AMB  10-2:422      0 AMB  10-1:422    3.50    (#    422:10  Double Ambig)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 892, 893, 852, 853,
 igr2= 912, 913, 912, 913,
 &end
#
#    0 AMB  10-2:442     84 VAL  HN          4.50    (#    442:10  Single Ambig)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1182,1179,1180,
 &end
#
#    0 AMB  10-2:444     23 ASP  HN          4.50    (#    444:10  Single Ambig)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 829,1140,
 &end
#
#    0 AMB  10-2:445     23 ASP  HN          4.50    (#    445:10  Single Ambig)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 807,
 &end
#
#    0 AMB  10-2:447     23 ASP  HN          2.80    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 318, 809,
 &end
#
#    0 AMB  10-2:449     23 ASP  HN          3.50    (#    449:10  Single Ambig)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 310, 311, 312, 291, 292, 833,
 &end
#
#    0 AMB  10-2:450     23 ASP  HN          5.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 296, 297, 298, 300, 301, 302, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  10-2:459     77 VAL  HN          3.50    (#    459:10  Single Ambig)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
      1261,1262,
 &end
#
#    0 AMB  10-2:460     77 VAL  HN          2.80    (#    460:10  Single Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1165,1166,1167,1169,1170,1171,1147,1184,1185,1186,
      1188,1189,1190,1184,1185,1186,1188,1189,1190,
 &end
#
#    0 AMB  10-2:468     95 ALA  HN          4.50    (#    468:10  Single Ambig)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1388,1389,1403,
 &end
#
#    0 AMB  10-2:469     95 ALA  HN          4.50    (#    469:10  Single Ambig)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1394,1395,1430,1431,
 &end
#
#    0 AMB  10-2:484     82 GLU  HN          3.50    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1179,1180,1182,
 &end
#
#    0 AMB  10-2:493     87 SER  HN          2.80    (#    493:10  Single Ambig)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1303,1304,1305,1113,1114,1115,
 &end
#
#    0 AMB  10-2:512     76 LEU  HN          3.50    (#    512:10  Single Ambig)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1142, 308,
 &end
#
#    0 AMB  10-2:519     76 LEU  HN          3.50    (#    519:10  Single Ambig)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1125,1126, 294,
 &end
#
#    0 AMB  10-2:521     76 LEU  HN          3.50    (#    521:10  Single Ambig)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
       301, 302,
 &end
#
#    0 AMB  10-2:529     41 GLU  HN          3.50    (#    529:10  Single Ambig)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 582, 612,
 &end
#
#    0 AMB  10-2:534     41 GLU  HN          4.50    (#    534:10  Single Ambig)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 614, 615,1411,1412,
 &end
#
#    0 AMB  10-2:542      8 ASP  HN          2.80    (#    542:10  Single Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 907, 908, 116, 117,
 &end
#
#    0 AMB  10-2:547     74 THR  HN          4.50    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1130,1131,1132,1134,1135,1136, 515, 516, 517,1328,
      1329,1330,1332,1333,1334,
 &end
#
#    0 AMB  10-2:552     42 LEU  HN          5.50    (#    552:10  Single Ambig)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1405,1406, 782, 783,
 &end
#
#    0 AMB  10-2:556     42 LEU  HN          2.80    (#    556:10  Single Ambig)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 595, 641,
 &end
#
#    0 AMB  10-2:560     69 VAL  HN          4.50    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1002,1010,1019,
 &end
#
#    0 AMB  10-2:561     69 VAL  HN          2.80    (#    561:10  Single Ambig)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1025,1026, 965,
 &end
#
#    0 AMB  10-2:574     74 THR  HN          4.50    (#    574:10  Single Ambig)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1078,1128,
 &end
#
#    0 AMB  10-2:577     42 LEU  HN          4.50    (#    577:10  Single Ambig)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 551, 552, 553, 555, 556, 557, 565, 566,
 &end
#
#    0 AMB  10-2:581     38 VAL  HN          4.50    (#    581:10  Single Ambig)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 568,1405,1406,
 &end
#
#    0 AMB  10-2:583     38 VAL  HN          3.50    (#    583:10  Single Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 504, 541,
 &end
#
#    0 AMB  10-2:584     38 VAL  HN          3.50    (#    584:10  Single Ambig)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 532, 533, 523,
 &end
#
#    0 AMB  10-2:594     79 LYS  HN          4.50    (#    594:10  Single Ambig)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1216,1266,
 &end
#
#    0 AMB  10-2:598     79 LYS  HN          4.50    (#    598:10  Single Ambig)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1252, 224,
 &end
#
#    0 AMB  10-2:601     79 LYS  HN          2.80    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1179,1180,1182,
 &end
#
#    0 AMB  10-2:602     79 LYS  HN          4.50    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
      1170,1171, 277, 278, 279, 281, 282, 283,
 &end
#
#    0 AMB  10-2:608     61 GLN  HN          5.50    (#    608:10  Single Ambig)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 116, 117, 907, 908,
 &end
#
#    0 AMB  10-2:609     61 GLN  HN          3.50    (#    609:10  Single Ambig)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 924, 925, 907, 908,
 &end
#
#    0 AMB  10-2:625     60 ASN  HN          4.50    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 852, 853, 924, 925,
 &end
#
#    0 AMB  10-2:626     60 ASN  HN          4.50    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 892, 893, 852, 853,
 &end
#
#    0 AMB  10-2:645     50 LEU  HN          3.50    (#    645:10  Single Ambig)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
       745, 746,
 &end
#
#    0 AMB  10-2:648     43 ASP  HN          5.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 565, 566,1408,1409,
 &end
#
#    0 AMB  10-2:650     96 LEU  HN          4.50    (#    650:10  Single Ambig)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1488,1489,1471,1472,
 &end
#
#    0 AMB  10-2:656     96 LEU  HN          4.50    (#    656:10  Single Ambig)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1403,1388,1389,
 &end
#
#    0 AMB  10-2:658     96 LEU  HN          2.80    (#    658:10  Single Ambig)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1455,1442,1443,1444,1369,1370,
 &end
#
#    0 AMB  10-2:660     96 LEU  HN          3.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 &end
#
#    0 AMB  10-2:664     43 ASP  HN          5.50    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 597, 643,
 &end
#
#    0 AMB  10-2:665     43 ASP  HN          3.50    (#    665:10  Single Ambig)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 582, 612,
 &end
#
#    0 AMB  10-2:668     43 ASP  HN          4.50    (#    668:10  Single Ambig)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 645, 646, 599, 600, 665, 666,
 &end
#
#    0 AMB  10-2:670     43 ASP  HN          2.80    (#    670:10  Single Ambig)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 785, 786, 787,  41,  42, 778, 779, 780,
 &end
#
#    0 AMB  10-2:671     43 ASP  HN          3.50    (#    671:10  Single Ambig)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  44,  45,  46, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  10-2:683     97 GLN  HN          4.50    (#    683:10  Single Ambig)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1450,1486,
 &end
#
#    0 AMB  10-2:690     97 GLN  HN          4.50    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1455,1442,1443,1444,
 &end
#
#    0 AMB  10-2:691     97 GLN  HN          5.50    (#    691:10  Single Ambig)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 &end
#
#    0 AMB  10-2:705    101 ASN  HN          3.50    (#    705:10  Single Ambig)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1522, 684, 685, 686,
 &end
#
#    0 AMB  10-2:711     90 PHE  HN          2.80    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1340,1341,1094,1095,
 &end
#
#    0 AMB  10-2:715     90 PHE  HN          5.50    (#    715:10  Single Ambig)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 515, 516, 517,1328,1329,1330,1332,1333,1334,
 &end
#
#    0 AMB  10-2:727     48 ASP  HN          5.50    (#    727:10  Single Ambig)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602, 782, 783,
 &end
#
#    0 AMB  10-2:748     85 GLU  HN          4.50    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1289,1290,1254,
 &end
#
#    0 AMB  10-2:749     85 GLU  HN          2.80    (#    749:10  Single Ambig)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1163,1286,1287,
 &end
#
#    0 AMB  10-2:751     85 GLU  HN          3.50    (#    751:10  Single Ambig)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1165,1166,1167,1169,1170,1171,1184,1185,1186,1188,
      1189,1190,1184,1185,1186,1188,1189,1190,1147,
 &end
#
#    0 AMB  10-2:755     99 LEU  HN          4.50    (#    755:10  Single Ambig)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1448,1583,
 &end
#
#    0 AMB  10-2:757     99 LEU  HN          2.80    (#    757:10  Single Ambig)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1501,1486,
 &end
#
#    0 AMB  10-2:771     86 THR  HN          4.50    (#    771:10  Single Ambig)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
      1261,1262,
 &end
#
#    0 AMB  10-2:776     17 GLU  HN          4.50    (#    776:10  Single Ambig)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 210,1218,
 &end
#
#    0 AMB  10-2:777     17 GLU  HN          2.80    (#    777:10  Single Ambig)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 224, 226, 227,
 &end
#
#    0 AMB  10-2:778     17 GLU  HN          4.50    (#    778:10  Single Ambig)
 &rst
  ixpk= 778, 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  10-2:800     39 LEU  HN          5.50    (#    800:10  Single Ambig)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 504, 541,
 &end
#
#    0 AMB  10-2:805     39 LEU  HN          2.80    (#    805:10  Single Ambig)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 565, 566, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  10-2:806     39 LEU  HN          3.50    (#    806:10  Single Ambig)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 551, 552, 553, 555, 556, 557, 515, 516, 517,
 &end
#
#    0 AMB  10-2:807     39 LEU  HN          2.80    (#    807:10  Single Ambig)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  10-2:812     98 GLU  HN          2.80    (#    812:10  Single Ambig)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1486,1450,
 &end
#
#    0 AMB  10-2:820      0 AMB  10-1:820    5.50    (#    820:10  Double Ambig)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1448, 653, 654,
 igr2=1484, 580,
 &end
#
#    0 AMB  10-2:824     40 GLU  HN          4.50    (#    824:10  Single Ambig)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 545, 653, 654,
 &end
#
#    0 AMB  10-2:826      0 AMB  10-1:826    2.80    (#    826:10  Double Ambig)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 587, 588,1474,1475,
 igr2= 580,1484,
 &end
#
#    0 AMB  10-2:842     44 GLN  HN          5.50    (#    842:10  Single Ambig)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 614, 615, 617,
 &end
#
#    0 AMB  10-2:843     40 GLU  HN          2.80    (#    843:10  Single Ambig)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 561, 595,
 &end
#
#    0 AMB  10-2:844     40 GLU  HN          2.80    (#    844:10  Single Ambig)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 582, 523,
 &end
#
#    0 AMB  10-2:845     40 GLU  HN          3.50    (#    845:10  Single Ambig)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  44,  45,  46, 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  10-2:855     45 GLU  HN          2.80    (#    855:10  Single Ambig)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 665, 666, 645, 646,
 &end
#
#    0 AMB  10-2:861     35 ILE  HN          3.50    (#    861:10  Single Ambig)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 487,
 &end
#
#    0 AMB  10-2:865     35 ILE  HN          5.50    (#    865:10  Single Ambig)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 515, 516, 517, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  10-2:869     45 GLU  HN          4.50    (#    869:10  Single Ambig)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 648, 649, 680, 681, 602, 603,
 &end
#
#    0 AMB  10-2:885     59 GLU  HN          2.80    (#    885:10  Single Ambig)
 &rst
  ixpk= 885, nxpk= 10, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 892, 893, 895, 896,
 &end
#
#    0 AMB  10-2:892     34 MET  HN          2.80    (#    892:10  Single Ambig)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 487, 454,
 &end
#
#    0 AMB  10-2:897     34 MET  HN          2.80    (#    897:10  Single Ambig)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 489, 490, 467, 468,
 &end
#
#    0 AMB  10-2:901      0 AMB  10-1:901    2.80    (#    901:10  Double Ambig)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1550,1501, 862,
 igr2=1548, 888,
 &end
#
#    0 AMB  10-2:902    102 LYS  HN          3.50    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1538,1539,1561,1562,
 &end
#
#    0 AMB  10-2:907    102 LYS  HN          3.50    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1538,1539,1574,1575,
 &end
#
#    0 AMB  10-2:908    102 LYS  HN          2.80    (#    908:10  Single Ambig)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1552,1553,1558,1559,
 &end
#
#    0 AMB  10-2:910    102 LYS  HN          2.80    (#    910:10  Single Ambig)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1555,1556,1555,1556,
 &end
#
#    0 AMB  10-2:915     94 GLU  HN          3.50    (#    915:10  Single Ambig)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1430,1431,1394,1395,
 &end
#
#    0 AMB  10-2:921     94 GLU  HN          5.50    (#    921:10  Single Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1442,1443,1444,1455,1369,1370,
 &end
#
#    0 AMB  10-2:929     12 SER  HN          2.80    (#    929:10  Single Ambig)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 183, 193,
 &end
#
#    0 AMB  10-2:931    103 HIS  HN          4.50    (#    931:10  Single Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1594,1503,1504,
 &end
#
#    0 AMB  10-2:945      9 GLN  HN          3.50    (#    945:10  Single Ambig)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 116, 117, 907, 908,
 &end
#
#    0 AMB  10-2:948      9 GLN  HN          5.50    (#    948:10  Single Ambig)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 104, 105, 106,  92,  93,  94,
 &end
#
#    0 AMB  10-2:961    103 HIS  HN          4.50    (#    961:10  Single Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1550,1501,
 &end
#
#    0 AMB  10-2:962     16 SER  HN          5.50    (#    962:10  Single Ambig)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 193, 183,
 &end
#
#    0 AMB  10-2:967     16 SER  HN          4.50    (#    967:10  Single Ambig)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 185, 212,
 &end
#
#    0 AMB  10-2:968     16 SER  HN          2.80    (#    968:10  Single Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 226, 227, 224,
 &end
#
#    0 AMB  10-2:977     32 CYS  HN          3.50    (#    977:10  Single Ambig)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1097,1098, 473, 474,
 &end
#
#    0 AMB  10-2:982      0 AMB  10-1:982    2.80    (#    982:10  Double Ambig)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1067,1068, 439, 440,
 igr2=1063, 452,
 &end
#
#    0 AMB  10-2:984      0 AMB  10-1:984    3.50    (#    984:10  Double Ambig)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1100,1101,1050,1051, 467, 468,
 igr2= 452,1063,
 &end
#
#    0 AMB  10-2:989     46 MET  HN          3.50    (#    989:10  Single Ambig)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 660, 692, 693,
 &end
#
#    0 AMB  10-2:1025    10 SER  HN          4.50    (#   1025:10  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 131, 132, 200, 201,
 &end
#
#    0 AMB  10-2:1027    10 SER  HN          4.50    (#   1027:10  Single Ambig)
 &rst
  ixpk= 1027, 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  10-2:1034    67 TYR  HN          3.50    (#   1034:10  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 982, 975, 976,
 &end
#
#    0 AMB  10-2:1035    67 TYR  HN          3.50    (#   1035:10  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965,1025,1026,
 &end
#
#    0 AMB  10-2:1048     0 AMB  10-1:1048   5.50    (#   1048:10  Double Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 116, 117, 907, 908,
 igr2= 136, 137, 136, 137,
 &end
#
#    0 AMB  10-2:1058     0 AMB  10-1:1058   4.50    (#   1058:10  Double Ambig)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 116, 117, 907, 908,
 igr2= 929, 930, 929, 930,
 &end
#
#    0 AMB  10-2:1061     0 AMB  10-1:1061   3.50    (#   1061:10  Double Ambig)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 924, 925, 131, 132,
 igr2= 929, 930, 136, 137,
 &end
#
#    0 AMB  10-2:1071     0 AMB  10-1:1071   3.50    (#   1071:10  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 924, 925, 131, 132,
 igr2= 929, 930, 136, 137,
 &end
#
#    0 AMB  10-2:1072     0 AMB  10-1:1072   3.50    (#   1072:10  Double Ambig)
 &rst
  ixpk= 1072, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 924, 925, 131, 132,
 igr2= 929, 930, 136, 137,
 &end
#
#    0 AMB  10-2:1096    89 GLY  HN          2.80    (#   1096:10  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1340,1341,1094,1095,
 &end
#
#    0 AMB  10-2:1097    89 GLY  HN          4.50    (#   1097:10  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1100,1101,1326,
 &end
#
#    0 AMB  10-2:1106   100 VAL  HN          5.50    (#   1106:10  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1484,1479,1480,
 &end
#
#    0 AMB  10-2:1108   100 VAL  HN          3.50    (#   1108:10  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1501,1486,
 &end
#
#    0 AMB  10-2:1115   100 VAL  HN          4.50    (#   1115:10  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 619, 620, 621, 623, 624, 625, 296, 297, 298, 300,
       301, 302,1165,1166,1167,1169,1170,1171,
 &end
#
#    0 AMB  10-2:1125     0 AMB  10-1:1125   5.50    (#   1125:10  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 648, 649, 602, 603,
 igr2= 653, 654, 653, 654,
 &end
#
#    0 AMB  10-2:1136    44 GLN  HE2-        5.50    (#   1136:10  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 648, 649, 602, 603,
 igr2= 653, 654,
 &end
#
#    0 AMB  10-2:1154    28 TRP  HN          4.50    (#   1154:10  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 400, 401, 374,
 &end
#
#    0 AMB  10-2:1160     0 AMB  10-1:1160   3.50    (#   1160:10  Double Ambig)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1474,1475,1430,1431,
 igr2=1479,1480,1479,1480,
 &end
#
#    0 AMB  10-2:1161     0 AMB  10-1:1161   4.50    (#   1161:10  Double Ambig)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1471,1472, 684, 685, 686,
 igr2=1479,1480,1479,1480,
 &end
#
#    0 AMB  10-2:1162    97 GLN  HE2-        4.50    (#   1162:10  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1474,1475,1430,1431,
 igr2=1479,1480,
 &end
#
#    0 AMB  10-2:1167     0 AMB  10-1:1167   4.50    (#   1167:10  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1499,1548,
 igr2=1479,1480,1479,1480,
 &end
#
#    0 AMB  10-2:1178    97 GLN  HE2-        4.50    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1499,1548,
 igr2=1479,1480,
 &end
#
#    0 AMB  10-2:1180    97 GLN  HE2-        4.50    (#   1180:10  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 684, 685, 686,1522, 662, 663,
 igr2=1479,1480,
 &end
#
#    0 AMB  10-2:1210   101 ASN  HD2-        4.50    (#   1210:10  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 684, 685, 686,1471,1472,1522,
 igr2=1543,1544,
 &end
#
#    0 AMB  10-2:1213     0 AMB  10-1:1213   3.50    (#   1213:10  Double Ambig)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1538,1539,1561,1562,
 igr2=1543,1544,1543,1544,
 &end
#
#    0 AMB  10-2:1215     0 AMB  10-1:1215   5.50    (#   1215:10  Double Ambig)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 684, 685, 686,1471,1472,1522,
 igr2=1543,1544,1543,1544,1543,1544,
 &end
#
#    0 AMB  10-2:1216   101 ASN  HD2-        3.50    (#   1216:10  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1538,1539,1561,1562,
 igr2=1543,1544,
 &end
#
#    0 AMB  10-2:1225     7 THR  HN          2.80    (#   1225:10  Single Ambig)
 &rst
  ixpk= 1225, 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  10-2:1230    19 VAL  HN          5.50    (#   1230:10  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1204,1205, 754, 755, 713, 714, 237, 238, 275,
 &end
#
#    0 AMB  10-2:1231     3 ILE  HN          5.50    (#   1231:10  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 776,  76,  77,
 &end
#
#    0 AMB  10-2:1236    58 ASP  HN          5.50    (#   1236:10  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 895, 896, 852, 853, 892, 893,
 &end
#
#    0 AMB  10-2:1250     4 VAL  HN          5.50    (#   1250:10  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 757, 758, 795,
 &end
#
#    0 AMB  10-2:1251     4 VAL  HN          3.50    (#   1251:10  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  41,  42, 778, 779, 780,
 &end
#
#    0 AMB  10-2:1253     4 VAL  HN          5.50    (#   1253:10  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 818,  73,  74,
 &end
#
#    0 AMB  10-2:1254     4 VAL  HN          4.50    (#   1254:10  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 776,  76,  77,
 &end
#
#    0 AMB  10-2:1256    20 VAL  HN          5.50    (#   1256:10  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1179,1180, 738,
 &end
#
#    0 AMB  10-2:1258    20 VAL  HN          4.50    (#   1258:10  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 287,1194,
 &end
#
#    0 AMB  10-2:1271    13 ALA  HN          5.50    (#   1271:10  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 195, 126,
 &end
#
#    0 AMB  10-2:1277    11 PHE  HN          5.50    (#   1277:10  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 128, 129, 200, 201,
 &end
#
#    0 AMB  10-2:1280    11 PHE  HN          5.50    (#   1280:10  Single Ambig)
 &rst
  ixpk= 1280, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 126, 195,
 &end
#
#    0 AMB  10-2:1282    11 PHE  HN          5.50    (#   1282:10  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 183, 193,
 &end
#
#    0 AMB  10-2:1285    19 VAL  HN          5.50    (#   1285:10  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 713, 714, 237, 238,
 &end
#
#    0 AMB  10-2:1286    19 VAL  HN          5.50    (#   1286:10  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  10-2:1303    74 THR  HN          5.50    (#   1303:10  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1324,1065,
 &end
#
#    0 AMB  10-2:1304    42 LEU  HN          5.50    (#   1304:10  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 648, 649, 680, 681,
 &end
#
#    0 AMB  10-2:1315    25 TRP  HE1         5.50    (#   1315:10  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 10, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 809, 330,
 &end
#
#    0 AMB  10-2:1321    80 ASP  HN          5.50    (#   1321:10  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 250, 251, 224,
 &end
#
#    0 AMB  10-2:1326    78 LEU  HN          5.50    (#   1326:10  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1194, 287,
 &end
#
#    0 AMB  10-2:1328    22 ALA  HN          5.50    (#   1328:10  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 316, 328,
 &end
#
#    0 AMB  10-2:1329    22 ALA  HN          5.50    (#   1329:10  Single Ambig)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1144,1145, 795,
 &end
#
#    0 AMB  10-2:1331    78 LEU  HN          5.50    (#   1331:10  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 310, 311, 312, 291, 292,1256,1257,1258,1260,1261,
      1262,
 &end
#
#    0 AMB  10-2:1332    22 ALA  HN          5.50    (#   1332:10  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1130,1131,1132,1134,1135,1136, 782, 783,
 &end
#
#    0 AMB  10-2:1335    81 GLY  HN          4.50    (#   1335:10  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190, 277, 278, 279, 281,
       282, 283,
 &end
#
#    0 AMB  10-2:1339    15 THR  HN          5.50    (#   1339:10  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 187, 188, 189, 795,
 &end
#
#    0 AMB  10-2:1340    65 GLY  HN          5.50    (#   1340:10  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1002,1010,1019,
 &end
#
#    0 AMB  10-2:1344    75 LEU  HN          5.50    (#   1344:10  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1107,1338,
 &end
#
#    0 AMB  10-2:1351    24 PHE  HN          5.50    (#   1351:10  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1128,1144,1145,1078,
 &end
#
#    0 AMB  10-2:1352    24 PHE  HN          5.50    (#   1352:10  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 310, 311, 312, 866, 867, 868, 870, 871, 872,
 &end
#
#   53 VAL  MGY           0 AMB  10-1:1353   5.50    (#   1353:10  Single Ambig)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 287, 772,
 &end
#
#    0 AMB  10-2:1355    91 LYS  HN          5.50    (#   1355:10  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1349,1350,1378,1379,
 &end
#
#    0 AMB  10-2:1357    91 LYS  HN          5.50    (#   1357:10  Single Ambig)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 &end
#
#    0 AMB  10-2:1364     0 AMB  10-1:1364   4.50    (#   1364:10  Double Ambig)
 &rst
  ixpk= 1364, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 782, 783,  56,  57,  58,  60,  61,  62,
 igr2= 791, 807,
 &end
#
#    0 AMB  10-2:1368    36 ALA  HN          5.50    (#   1368:10  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  10-2:1369    36 ALA  HN          5.50    (#   1369:10  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 551, 552, 553, 555, 556, 557, 515, 516, 517,
 &end
#
#    0 AMB  10-2:1371    36 ALA  HN          5.50    (#   1371:10  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 568,1097,1098, 473, 474,
 &end
#
#    0 AMB  10-2:1375    66 LYS  HN          5.50    (#   1375:10  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 941, 942,1006,1007,
 &end
#
#    0 AMB  10-2:1379    57 VAL  HN          5.50    (#   1379:10  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 332, 333, 383, 384,
 &end
#
#    0 AMB  10-2:1382    57 VAL  HN          5.50    (#   1382:10  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 336, 344, 372,
 &end
#
#    0 AMB  10-2:1389    29 CYS  HN          5.50    (#   1389:10  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 10, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 400, 401, 374,1094,1095,
 &end
#
#    0 AMB  10-2:1391    55 ILE  HN          5.50    (#   1391:10  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 316, 328,
 &end
#
#    0 AMB  10-2:1393    55 ILE  HN          5.50    (#   1393:10  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 10, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 320, 321, 820, 821,
 &end
#
#    0 AMB  10-2:1400    33 LYS  HN          5.50    (#   1400:10  Single Ambig)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 492, 493, 425,
 &end
#
#    0 AMB  10-2:1407    84 VAL  HN          5.50    (#   1407:10  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1163,1286,1287,
 &end
#
#    0 AMB  10-2:1410    84 VAL  HN          4.50    (#   1410:10  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
      1170,1171,
 &end
#
#    0 AMB  10-2:1411    82 GLU  HN          5.50    (#   1411:10  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 224,1252, 226, 227,
 &end
#
#    0 AMB  10-2:1412    82 GLU  HN          5.50    (#   1412:10  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1216,1266,
 &end
#
#    0 AMB  10-2:1414    76 LEU  HN          5.50    (#   1414:10  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 10, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1113,1114,1115,1303,1304,1305,
 &end
#
#    0 AMB  10-2:1415    41 GLU  HN          5.50    (#   1415:10  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 565, 566, 551, 552, 553, 555, 556, 557,
 &end
#
#    0 AMB  10-2:1417    41 GLU  HN          5.50    (#   1417:10  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
       624, 625,  44,  45,  46,
 &end
#
#    0 AMB  10-2:1418    41 GLU  HN          5.50    (#   1418:10  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 653, 654, 545,
 &end
#
#    0 AMB  10-2:1427   101 ASN  HN          5.50    (#   1427:10  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 10, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1552,1553,1503,1504,1558,1559,1591,1592,
 &end
#
#    0 AMB  10-2:1442    15 THR  HN          5.50    (#   1442:10  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 277, 278, 279, 281, 282, 283,1184,1185,1186,1188,
      1189,1190,
 &end
#
#    0 AMB  10-2:1443    16 SER  HN          5.50    (#   1443:10  Single Ambig)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 237, 238, 275,
 &end
#
#    0 AMB  10-2:1447     0 AMB  10-1:1447   3.50    (#   1447:10  Double Ambig)
 &rst
  ixpk= 1447, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 754, 755, 275, 754, 755,
 igr2= 772, 287,
 &end
#
#    0 AMB  10-2:1448     0 AMB  10-1:1448   4.50    (#   1448:10  Double Ambig)
 &rst
  ixpk= 1448, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
       301, 302, 778, 779, 780,
 igr2=1311, 316,
 &end
#
#    0 AMB  10-2:1449    23 ASP  HN          4.50    (#   1449:10  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1130,1131,1132,1134,1135,1136, 782, 783,
 &end
#
#    0 AMB  10-2:1450    23 ASP  HN          5.50    (#   1450:10  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 294, 814, 815,
 &end
#
#    0 AMB  10-2:1451    23 ASP  HN          5.50    (#   1451:10  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 795,1144,1145,
 &end
#
#    0 AMB  10-2:1452    28 TRP  HN          5.50    (#   1452:10  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 406,1087,1088,1089,
 &end
#
#    0 AMB  10-2:1456    71 SER  HN          5.50    (#   1456:10  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 866, 867, 868, 870, 871, 872,1328,1329,1330,1332,
      1333,1334,
 &end
#
#    0 AMB  10-2:1457    35 ILE  HN          4.50    (#   1457:10  Single Ambig)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 512, 513, 473, 474,
 &end
#
#    0 AMB  10-2:1460    34 MET  HN          5.50    (#   1460:10  Single Ambig)
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 473, 474, 512, 513,
 &end
#
#    0 AMB  10-2:1462    38 VAL  HN          5.50    (#   1462:10  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 10, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  10-2:1466    39 LEU  HN          5.50    (#   1466:10  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 614, 615, 617,
 &end
#
#    0 AMB  10-2:1468     0 AMB  10-1:1468   5.50    (#   1468:10  Double Ambig)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 614, 615, 617,1558,1559,
 igr2= 580,1484,
 &end
#
#    0 AMB  10-2:1469    45 GLU  HN          5.50    (#   1469:10  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 617, 614, 615,1411,1412,
 &end
#
#    0 AMB  10-2:1470    46 MET  HN          5.50    (#   1470:10  Single Ambig)
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 614, 615, 617,
 &end
#
#    0 AMB  10-2:1471    46 MET  HN          5.50    (#   1471:10  Single Ambig)
 &rst
  ixpk= 1471, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 740, 741, 742, 744, 745, 746, 785, 786, 787,
 &end
#
#    0 AMB  10-2:1472    48 ASP  HN          5.50    (#   1472:10  Single Ambig)
 &rst
  ixpk= 1472, nxpk= 10, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 735, 736, 713, 714,
 &end
#
#    0 AMB  10-2:1474    49 LYS  HN          5.50    (#   1474:10  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 10, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  10-2:1477    67 TYR  HN          5.50    (#   1477:10  Single Ambig)
 &rst
  ixpk= 1477, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 987, 988,1149,1150,1151,1153,1154,1155,
 &end
#
#    0 AMB  10-2:1479    67 TYR  HN          5.50    (#   1479:10  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 990, 991, 967, 968, 969,
 &end
#
#    0 AMB  10-2:1481    68 GLY  HN          5.50    (#   1481:10  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1034,1057,1058,1059,
 &end
#
#    0 AMB  10-2:1483    96 LEU  HN          4.50    (#   1483:10  Single Ambig)
 &rst
  ixpk= 1483, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
       624, 625,
 &end
#
#    0 AMB  10-2:1485    98 GLU  HN          5.50    (#   1485:10  Single Ambig)
 &rst
  ixpk= 1485, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1442,1443,1444,1455,1369,1370,1552,1553,
 &end
#
#    0 AMB  10-2:1487    99 LEU  HN          5.50    (#   1487:10  Single Ambig)
 &rst
  ixpk= 1487, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
      1462,1463,
 &end
#
#    0 AMB  10-2:1489   103 HIS  HN          5.50    (#   1489:10  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1555,1556,1555,1556,
 &end
#
#    0 AMB  10-2:1490   103 HIS  HN          5.50    (#   1490:10  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
      1601,1602,
 &end
#
#    0 AMB  10-2:1494    99 LEU  HN          4.50    (#   1494:10  Single Ambig)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1491,1492,1474,1475,
 &end
#
#    0 AMB  10-2:1503    60 ASN  HN          5.50    (#   1503:10  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 895, 896, 864,
 &end
#
#    0 AMB  10-2:1505    47 GLY  HN          5.50    (#   1505:10  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 680, 681, 648, 649,
 &end
#
#    0 AMB  10-2:1507    47 GLY  HN          4.50    (#   1507:10  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 662, 663, 684, 685, 686,
 &end
#
#    0 AMB  10-2:1508    45 GLU  HN          5.50    (#   1508:10  Single Ambig)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1, 658, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415, 633, 634,
 &end
#
#    0 AMB  10-2:1509    43 ASP  HN          5.50    (#   1509:10  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585, 662, 663,
 &end
#
#    0 AMB  10-2:1510    35 ILE  HN          4.50    (#   1510:10  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 532, 533, 523,
 &end
#
#    0 AMB  10-2:1511    35 ILE  HN          5.50    (#   1511:10  Single Ambig)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 492, 493, 549,
 &end
#
#    0 AMB  10-2:1513    10 SER  HN          5.50    (#   1513:10  Single Ambig)
 &rst
  ixpk= 1513, nxpk= 10, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 116, 117, 907, 908,
 &end
#
#    0 AMB  10-2:1523    50 LEU  HN          5.50    (#   1523:10  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 752,
 &end
#
#    0 AMB  10-2:1530    71 SER  HN          5.50    (#   1530:10  Single Ambig)
 &rst
  ixpk= 1530, nxpk= 10, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1107,
 &end
#
# 31 PRO HA 31 PRO HG+ 2.80  (# Unique 3238:20)
 &rst
  ixpk= 1530, nxpk= 10, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 442, 443,
 &end
#
# 31 PRO HA 31 PRO HG- 2.80  (# Unique 3239:20)
 &rst
  ixpk= 1530, nxpk= 10, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 442, 443,
 &end
#
#  77 VAL  HN     85 GLU- O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1295, 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=1158,1295, 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=1138,1311, 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=1138,1310, 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=1121,1320, 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=1120,1320, 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=1105,1338, 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=1105,1337, 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=1173,1282, 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=1173,1281, 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= 271,1192, 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= 270,1192, 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= 285,1175, 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= 285,1174, 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= 306,1157, 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= 305,1157, 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= 314,1140, 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= 314,1139, 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= 346,1107, 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= 346,1106, 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, 770, 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, 770, 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, 791, 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, 790, 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, 805, 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, 805, 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, 829, 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, 828, 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, 846, 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, 846, 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, 789, 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, 789, 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, 807, 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, 806, 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=1421,1467, 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=1421,1466, 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=1446,1499, 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=1446,1498, 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=1465,1518, 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=1465,1517, 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=1482,1534, 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=1482,1533, 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= 519, 561, 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= 519, 560, 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= 529, 580, 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= 529, 579, 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= 543, 595, 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= 543, 594, 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= 559, 610, 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= 559, 609, 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= 578, 629, 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= 578, 628, 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= 593, 641, 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= 593, 640, 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= 627, 673, 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= 627, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
# 1605 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) -147.7 -87.7
 &rst     iat =    47,    49,    51,    63,
   r1 = -148.7, r2 = -147.7, r3 = -87.7, r4 = -86.7,
 &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 LYS N) 106.8 166.8
 &rst     iat =    49,    51,    63,    65,
   r1 = 105.8, r2 = 106.8, r3 = 166.8, r4 = 167.8,
 &end

# 5 LYS PHI:  (4 VAL C)-(5 LYS N)-(5 LYS CA)-(5 LYS C) -138.6 -58.6
 &rst     iat =    63,    65,    67,    85,
   r1 = -139.6, r2 = -138.6, r3 = -58.6, r4 = -57.6,
 &end

# 5 LYS PSI:  (5 LYS N)-(5 LYS CA)-(5 LYS C)-(6 ALA N)  91.3 171.3
 &rst     iat =    65,    67,    85,    87,
   r1 =  90.3, r2 =  91.3, r3 = 171.3, r4 = 172.3,
 &end

# 6 ALA PHI:  (5 LYS C)-(6 ALA N)-(6 ALA CA)-(6 ALA C) -164.8 -104.8
 &rst     iat =    85,    87,    89,    95,
   r1 = -165.8, r2 = -164.8, r3 = -104.8, r4 = -103.8,
 &end

# 6 ALA PSI:  (6 ALA N)-(6 ALA CA)-(6 ALA C)-(7 THR N) 121.2 181.2
 &rst     iat =    87,    89,    95,    97,
   r1 = 120.2, r2 = 121.2, r3 = 181.2, r4 = 182.2,
 &end

# 7 THR PHI:  (6 ALA C)-(7 THR N)-(7 THR CA)-(7 THR C) -133.0 -73.0
 &rst     iat =    95,    97,    99,   109,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end

# 7 THR PSI:  (7 THR N)-(7 THR CA)-(7 THR C)-(8 ASP N) 123.5 183.5
 &rst     iat =    97,    99,   109,   111,
   r1 = 122.5, r2 = 123.5, r3 = 183.5, r4 = 184.5,
 &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) -92.4 -32.4
 &rst     iat =   149,   151,   153,   169,
   r1 = -93.4, r2 = -92.4, r3 = -32.4, r4 = -31.4,
 &end

# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 SER N) -68.3  -8.3
 &rst     iat =   151,   153,   169,   171,
   r1 = -69.3, r2 = -68.3, r3 =  -8.3, r4 =  -7.3,
 &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) -93.5 -33.5
 &rst     iat =   180,   182,   184,   190,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 13 ALA PSI:  (13 ALA N)-(13 ALA CA)-(13 ALA C)-(14 GLU N) -73.6 -13.6
 &rst     iat =   182,   184,   190,   192,
   r1 = -74.6, r2 = -73.6, r3 = -13.6, r4 = -12.6,
 &end

# 19 VAL PHI:  (18 GLY C)-(19 VAL N)-(19 VAL CA)-(19 VAL C) -118.8 -58.8
 &rst     iat =   252,   254,   256,   268,
   r1 = -119.8, r2 = -118.8, r3 = -58.8, r4 = -57.8,
 &end

# 19 VAL PSI:  (19 VAL N)-(19 VAL CA)-(19 VAL C)-(20 VAL N) 101.6 161.6
 &rst     iat =   254,   256,   268,   270,
   r1 = 100.6, r2 = 101.6, r3 = 161.6, r4 = 162.6,
 &end

# 20 VAL PHI:  (19 VAL C)-(20 VAL N)-(20 VAL CA)-(20 VAL C) -153.9 -93.9
 &rst     iat =   268,   270,   272,   284,
   r1 = -154.9, r2 = -153.9, r3 = -93.9, r4 = -92.9,
 &end

# 20 VAL PSI:  (20 VAL N)-(20 VAL CA)-(20 VAL C)-(21 LEU N) 107.7 167.7
 &rst     iat =   270,   272,   284,   286,
   r1 = 106.7, r2 = 107.7, r3 = 167.7, r4 = 168.7,
 &end

# 21 LEU PHI:  (20 VAL C)-(21 LEU N)-(21 LEU CA)-(21 LEU C) -148.8 -88.8
 &rst     iat =   284,   286,   288,   303,
   r1 = -149.8, r2 = -148.8, r3 = -88.8, r4 = -87.8,
 &end

# 21 LEU PSI:  (21 LEU N)-(21 LEU CA)-(21 LEU C)-(22 ALA N)  98.1 158.1
 &rst     iat =   286,   288,   303,   305,
   r1 =  97.1, r2 =  98.1, r3 = 158.1, r4 = 159.1,
 &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) -142.1 -82.1
 &rst     iat =   313,   315,   317,   325,
   r1 = -143.1, r2 = -142.1, r3 = -82.1, r4 = -81.1,
 &end

# 23 ASP PSI:  (23 ASP N)-(23 ASP CA)-(23 ASP C)-(24 PHE N)  87.7 147.7
 &rst     iat =   315,   317,   325,   327,
   r1 =  86.7, r2 =  87.7, r3 = 147.7, r4 = 148.7,
 &end

# 24 PHE PHI:  (23 ASP C)-(24 PHE N)-(24 PHE CA)-(24 PHE C) -128.0 -68.0
 &rst     iat =   325,   327,   329,   345,
   r1 = -129.0, r2 = -128.0, r3 = -68.0, r4 = -67.0,
 &end

# 24 PHE PSI:  (24 PHE N)-(24 PHE CA)-(24 PHE C)-(25 TRP N)  99.5 159.5
 &rst     iat =   327,   329,   345,   347,
   r1 =  98.5, r2 =  99.5, r3 = 159.5, r4 = 160.5,
 &end

# 25 TRP PHI:  (24 PHE C)-(25 TRP N)-(25 TRP CA)-(25 TRP C) -149.5 -89.5
 &rst     iat =   345,   347,   349,   369,
   r1 = -150.5, r2 = -149.5, r3 = -89.5, r4 = -88.5,
 &end

# 25 TRP PSI:  (25 TRP N)-(25 TRP CA)-(25 TRP C)-(26 ALA N) 126.2 186.2
 &rst     iat =   347,   349,   369,   371,
   r1 = 125.2, r2 = 126.2, r3 = 186.2, r4 = 187.2,
 &end

# 29 CYS PHI:  (28 TRP C)-(29 CYS N)-(29 CYS CA)-(29 CYS C) -110.8 -50.8
 &rst     iat =   417,   419,   421,   428,
   r1 = -111.8, r2 = -110.8, r3 = -50.8, r4 = -49.8,
 &end

# 29 CYS PSI:  (29 CYS N)-(29 CYS CA)-(29 CYS C)-(30 GLY N)  92.8 152.8
 &rst     iat =   419,   421,   428,   430,
   r1 =  91.8, r2 =  92.8, r3 = 152.8, r4 = 153.8,
 &end

# 32 CYS PHI:  (31 PRO C)-(32 CYS N)-(32 CYS CA)-(32 CYS C) -92.8 -32.8
 &rst     iat =   449,   451,   453,   460,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 32 CYS PSI:  (32 CYS N)-(32 CYS CA)-(32 CYS C)-(33 LYS N) -69.5  -9.5
 &rst     iat =   451,   453,   460,   462,
   r1 = -70.5, r2 = -69.5, r3 =  -9.5, r4 =  -8.5,
 &end

# 33 LYS PHI:  (32 CYS C)-(33 LYS N)-(33 LYS CA)-(33 LYS C) -93.7 -33.7
 &rst     iat =   460,   462,   464,   482,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end

# 33 LYS PSI:  (33 LYS N)-(33 LYS CA)-(33 LYS C)-(34 MET N) -71.7 -11.7
 &rst     iat =   462,   464,   482,   484,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 35 ILE PHI:  (34 MET C)-(35 ILE N)-(35 ILE CA)-(35 ILE C) -100.0 -40.0
 &rst     iat =   499,   501,   503,   518,
   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 =   501,   503,   518,   520,
   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) -90.2 -30.2
 &rst     iat =   518,   520,   522,   528,
   r1 = -91.2, r2 = -90.2, r3 = -30.2, r4 = -29.2,
 &end

# 36 ALA PSI:  (36 ALA N)-(36 ALA CA)-(36 ALA C)-(37 PRO N) -73.5 -13.5
 &rst     iat =   520,   522,   528,   530,
   r1 = -74.5, r2 = -73.5, r3 = -13.5, r4 = -12.5,
 &end

# 38 VAL PHI:  (37 PRO C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -96.9 -36.9
 &rst     iat =   542,   544,   546,   558,
   r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 LEU N) -69.3  -9.3
 &rst     iat =   544,   546,   558,   560,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 39 LEU PHI:  (38 VAL C)-(39 LEU N)-(39 LEU CA)-(39 LEU C) -96.8 -36.8
 &rst     iat =   558,   560,   562,   577,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end

# 39 LEU PSI:  (39 LEU N)-(39 LEU CA)-(39 LEU C)-(40 GLU N) -67.6  -7.6
 &rst     iat =   560,   562,   577,   579,
   r1 = -68.6, r2 = -67.6, r3 =  -7.6, r4 =  -6.6,
 &end

# 40 GLU PHI:  (39 LEU C)-(40 GLU N)-(40 GLU CA)-(40 GLU C) -93.9 -33.9
 &rst     iat =   577,   579,   581,   592,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 40 GLU PSI:  (40 GLU N)-(40 GLU CA)-(40 GLU C)-(41 GLU N) -72.9 -12.9
 &rst     iat =   579,   581,   592,   594,
   r1 = -73.9, r2 = -72.9, r3 = -12.9, r4 = -11.9,
 &end

# 41 GLU PHI:  (40 GLU C)-(41 GLU N)-(41 GLU CA)-(41 GLU C) -93.0 -33.0
 &rst     iat =   592,   594,   596,   607,
   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 =   594,   596,   607,   609,
   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) -93.3 -33.3
 &rst     iat =   607,   609,   611,   626,
   r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3,
 &end

# 42 LEU PSI:  (42 LEU N)-(42 LEU CA)-(42 LEU C)-(43 ASP N) -69.1  -9.1
 &rst     iat =   609,   611,   626,   628,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 43 ASP PHI:  (42 LEU C)-(43 ASP N)-(43 ASP CA)-(43 ASP C) -94.9 -34.9
 &rst     iat =   626,   628,   630,   638,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 43 ASP PSI:  (43 ASP N)-(43 ASP CA)-(43 ASP C)-(44 GLN N) -69.3  -9.3
 &rst     iat =   628,   630,   638,   640,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 44 GLN PHI:  (43 ASP C)-(44 GLN N)-(44 GLN CA)-(44 GLN C) -95.6 -35.6
 &rst     iat =   638,   640,   642,   655,
   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) -69.9  -9.9
 &rst     iat =   640,   642,   655,   657,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end

# 50 LEU PHI:  (49 LYS C)-(50 LEU N)-(50 LEU CA)-(50 LEU C) -174.7 -114.7
 &rst     iat =   728,   730,   732,   747,
   r1 = -175.7, r2 = -174.7, r3 = -114.7, r4 = -113.7,
 &end

# 50 LEU PSI:  (50 LEU N)-(50 LEU CA)-(50 LEU C)-(51 LYS N) 105.1 165.1
 &rst     iat =   730,   732,   747,   749,
   r1 = 104.1, r2 = 105.1, r3 = 165.1, r4 = 166.1,
 &end

# 51 LYS PHI:  (50 LEU C)-(51 LYS N)-(51 LYS CA)-(51 LYS C) -150.7 -70.7
 &rst     iat =   747,   749,   751,   769,
   r1 = -151.7, r2 = -150.7, r3 = -70.7, r4 = -69.7,
 &end

# 51 LYS PSI:  (51 LYS N)-(51 LYS CA)-(51 LYS C)-(52 ILE N)  74.7 154.7
 &rst     iat =   749,   751,   769,   771,
   r1 =  73.7, r2 =  74.7, r3 = 154.7, r4 = 155.7,
 &end

# 52 ILE PHI:  (51 LYS C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -142.7 -82.7
 &rst     iat =   769,   771,   773,   788,
   r1 = -143.7, r2 = -142.7, r3 = -82.7, r4 = -81.7,
 &end

# 52 ILE PSI:  (52 ILE N)-(52 ILE CA)-(52 ILE C)-(53 VAL N) 100.1 160.1
 &rst     iat =   771,   773,   788,   790,
   r1 =  99.1, r2 = 100.1, r3 = 160.1, r4 = 161.1,
 &end

# 53 VAL PHI:  (52 ILE C)-(53 VAL N)-(53 VAL CA)-(53 VAL C) -149.5 -89.5
 &rst     iat =   788,   790,   792,   804,
   r1 = -150.5, r2 = -149.5, r3 = -89.5, r4 = -88.5,
 &end

# 53 VAL PSI:  (53 VAL N)-(53 VAL CA)-(53 VAL C)-(54 LYS N) 104.8 164.8
 &rst     iat =   790,   792,   804,   806,
   r1 = 103.8, r2 = 104.8, r3 = 164.8, r4 = 165.8,
 &end

# 54 LYS PHI:  (53 VAL C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -154.3 -74.3
 &rst     iat =   804,   806,   808,   826,
   r1 = -155.3, r2 = -154.3, r3 = -74.3, r4 = -73.3,
 &end

# 54 LYS PSI:  (54 LYS N)-(54 LYS CA)-(54 LYS C)-(55 ILE N)  95.8 175.8
 &rst     iat =   806,   808,   826,   828,
   r1 =  94.8, r2 =  95.8, r3 = 175.8, r4 = 176.8,
 &end

# 55 ILE PHI:  (54 LYS C)-(55 ILE N)-(55 ILE CA)-(55 ILE C) -154.1 -94.1
 &rst     iat =   826,   828,   830,   845,
   r1 = -155.1, r2 = -154.1, r3 = -94.1, r4 = -93.1,
 &end

# 55 ILE PSI:  (55 ILE N)-(55 ILE CA)-(55 ILE C)-(56 ASP N) 103.2 163.2
 &rst     iat =   828,   830,   845,   847,
   r1 = 102.2, r2 = 103.2, r3 = 163.2, r4 = 164.2,
 &end

# 57 VAL PHI:  (56 ASP C)-(57 VAL N)-(57 VAL CA)-(57 VAL C) -103.7 -43.7
 &rst     iat =   857,   859,   861,   873,
   r1 = -104.7, r2 = -103.7, r3 = -43.7, r4 = -42.7,
 &end

# 57 VAL PSI:  (57 VAL N)-(57 VAL CA)-(57 VAL C)-(58 ASP N) -52.5   7.5
 &rst     iat =   859,   861,   873,   875,
   r1 = -53.5, r2 = -52.5, r3 =   7.5, r4 =   8.5,
 &end

# 62 GLU PHI:  (61 GLN C)-(62 GLU N)-(62 GLU CA)-(62 GLU C) -92.5 -32.5
 &rst     iat =   931,   933,   935,   946,
   r1 = -93.5, r2 = -92.5, r3 = -32.5, r4 = -31.5,
 &end

# 62 GLU PSI:  (62 GLU N)-(62 GLU CA)-(62 GLU C)-(63 THR N) -70.2 -10.1
 &rst     iat =   933,   935,   946,   948,
   r1 = -71.2, r2 = -70.2, r3 = -10.1, r4 =  -9.1,
 &end

# 63 THR PHI:  (62 GLU C)-(63 THR N)-(63 THR CA)-(63 THR C) -100.5 -40.5
 &rst     iat =   946,   948,   950,   960,
   r1 = -101.5, r2 = -100.5, r3 = -40.5, r4 = -39.5,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 ALA N) -70.7 -10.7
 &rst     iat =   948,   950,   960,   962,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end

# 65 GLY PHI:  (64 ALA C)-(65 GLY N)-(65 GLY CA)-(65 GLY C) -94.8 -34.8
 &rst     iat =   970,   972,   974,   977,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end

# 65 GLY PSI:  (65 GLY N)-(65 GLY CA)-(65 GLY C)-(66 LYS N) -58.0   1.9
 &rst     iat =   972,   974,   977,   979,
   r1 = -59.0, r2 = -58.0, r3 =   1.9, r4 =   2.9,
 &end

# 66 LYS PHI:  (65 GLY C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -104.5 -44.5
 &rst     iat =   977,   979,   981,   999,
   r1 = -105.5, r2 = -104.5, r3 = -44.5, r4 = -43.5,
 &end

# 66 LYS PSI:  (66 LYS N)-(66 LYS CA)-(66 LYS C)-(67 TYR N) -49.4  10.6
 &rst     iat =   979,   981,   999,  1001,
   r1 = -50.4, r2 = -49.4, r3 =  10.6, r4 =  11.6,
 &end

# 69 VAL PHI:  (68 GLY C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -110.9 -50.9
 &rst     iat =  1027,  1029,  1031,  1043,
   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 =  1029,  1031,  1043,  1045,
   r1 =  93.2, r2 =  94.2, r3 = 154.2, r4 = 155.2,
 &end

# 74 THR PHI:  (73 PRO C)-(74 THR N)-(74 THR CA)-(74 THR C) -152.1 -92.1
 &rst     iat =  1104,  1106,  1108,  1118,
   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 =  1106,  1108,  1118,  1120,
   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) -139.1 -79.1
 &rst     iat =  1118,  1120,  1122,  1137,
   r1 = -140.1, r2 = -139.1, r3 = -79.1, r4 = -78.1,
 &end

# 75 LEU PSI:  (75 LEU N)-(75 LEU CA)-(75 LEU C)-(76 LEU N) 102.9 162.9
 &rst     iat =  1120,  1122,  1137,  1139,
   r1 = 101.9, r2 = 102.9, r3 = 162.9, r4 = 163.9,
 &end

# 76 LEU PHI:  (75 LEU C)-(76 LEU N)-(76 LEU CA)-(76 LEU C) -161.6 -81.6
 &rst     iat =  1137,  1139,  1141,  1156,
   r1 = -162.6, r2 = -161.6, r3 = -81.6, r4 = -80.6,
 &end

# 76 LEU PSI:  (76 LEU N)-(76 LEU CA)-(76 LEU C)-(77 VAL N) 118.5 178.5
 &rst     iat =  1139,  1141,  1156,  1158,
   r1 = 117.5, r2 = 118.5, r3 = 178.5, r4 = 179.5,
 &end

# 77 VAL PHI:  (76 LEU C)-(77 VAL N)-(77 VAL CA)-(77 VAL C) -144.1 -84.1
 &rst     iat =  1156,  1158,  1160,  1172,
   r1 = -145.1, r2 = -144.1, r3 = -84.1, r4 = -83.1,
 &end

# 77 VAL PSI:  (77 VAL N)-(77 VAL CA)-(77 VAL C)-(78 LEU N)  96.2 156.2
 &rst     iat =  1158,  1160,  1172,  1174,
   r1 =  95.2, r2 =  96.2, r3 = 156.2, r4 = 157.2,
 &end

# 78 LEU PHI:  (77 VAL C)-(78 LEU N)-(78 LEU CA)-(78 LEU C) -146.0 -86.0
 &rst     iat =  1172,  1174,  1176,  1191,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end

# 78 LEU PSI:  (78 LEU N)-(78 LEU CA)-(78 LEU C)-(79 LYS N) 116.6 176.6
 &rst     iat =  1174,  1176,  1191,  1193,
   r1 = 115.6, r2 = 116.6, r3 = 176.6, r4 = 177.6,
 &end

# 79 LYS PHI:  (78 LEU C)-(79 LYS N)-(79 LYS CA)-(79 LYS C) -153.3 -93.3
 &rst     iat =  1191,  1193,  1195,  1213,
   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 =  1193,  1195,  1213,  1215,
   r1 =  89.4, r2 =  90.4, r3 = 150.4, r4 = 151.4,
 &end

# 83 VAL PHI:  (82 GLU C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -106.7 -46.7
 &rst     iat =  1247,  1249,  1251,  1263,
   r1 = -107.7, r2 = -106.7, r3 = -46.7, r4 = -45.7,
 &end

# 83 VAL PSI:  (83 VAL N)-(83 VAL CA)-(83 VAL C)-(84 VAL N)  94.3 154.3
 &rst     iat =  1249,  1251,  1263,  1265,
   r1 =  93.3, r2 =  94.3, r3 = 154.3, r4 = 155.3,
 &end

# 85 GLU PHI:  (84 VAL C)-(85 GLU N)-(85 GLU CA)-(85 GLU C) -163.3 -103.3
 &rst     iat =  1279,  1281,  1283,  1294,
   r1 = -164.3, r2 = -163.3, r3 = -103.3, r4 = -102.3,
 &end

# 85 GLU PSI:  (85 GLU N)-(85 GLU CA)-(85 GLU C)-(86 THR N) 110.8 170.8
 &rst     iat =  1281,  1283,  1294,  1296,
   r1 = 109.8, r2 = 110.8, r3 = 170.8, r4 = 171.8,
 &end

# 86 THR PHI:  (85 GLU C)-(86 THR N)-(86 THR CA)-(86 THR C) -143.2 -83.2
 &rst     iat =  1294,  1296,  1298,  1308,
   r1 = -144.2, r2 = -143.2, r3 = -83.2, r4 = -82.2,
 &end

# 86 THR PSI:  (86 THR N)-(86 THR CA)-(86 THR C)-(87 SER N)  88.5 148.5
 &rst     iat =  1296,  1298,  1308,  1310,
   r1 =  87.5, r2 =  88.5, r3 = 148.5, r4 = 149.5,
 &end

# 87 SER PHI:  (86 THR C)-(87 SER N)-(87 SER CA)-(87 SER C) -149.1 -89.1
 &rst     iat =  1308,  1310,  1312,  1319,
   r1 = -150.1, r2 = -149.1, r3 = -89.1, r4 = -88.1,
 &end

# 87 SER PSI:  (87 SER N)-(87 SER CA)-(87 SER C)-(88 VAL N)  92.4 152.4
 &rst     iat =  1310,  1312,  1319,  1321,
   r1 =  91.4, r2 =  92.4, r3 = 152.4, r4 = 153.4,
 &end

# 88 VAL PHI:  (87 SER C)-(88 VAL N)-(88 VAL CA)-(88 VAL C) -132.9 -72.9
 &rst     iat =  1319,  1321,  1323,  1335,
   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 =  1321,  1323,  1335,  1337,
   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) -152.9 -93.0
 &rst     iat =  1362,  1364,  1366,  1384,
   r1 = -153.9, r2 = -152.9, r3 = -93.0, r4 = -92.0,
 &end

# 91 LYS PSI:  (91 LYS N)-(91 LYS CA)-(91 LYS C)-(92 PRO N) 106.5 166.5
 &rst     iat =  1364,  1366,  1384,  1386,
   r1 = 105.5, r2 = 106.5, r3 = 166.5, r4 = 167.5,
 &end

# 93 LYS PHI:  (92 PRO C)-(93 LYS N)-(93 LYS CA)-(93 LYS C) -92.5 -32.5
 &rst     iat =  1398,  1400,  1402,  1420,
   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 =  1400,  1402,  1420,  1422,
   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) -92.8 -32.8
 &rst     iat =  1420,  1422,  1424,  1435,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 94 GLU PSI:  (94 GLU N)-(94 GLU CA)-(94 GLU C)-(95 ALA N) -65.3  -5.4
 &rst     iat =  1422,  1424,  1435,  1437,
   r1 = -66.3, r2 = -65.3, r3 =  -5.4, r4 =  -4.4,
 &end

# 95 ALA PHI:  (94 GLU C)-(95 ALA N)-(95 ALA CA)-(95 ALA C) -94.2 -34.2
 &rst     iat =  1435,  1437,  1439,  1445,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 95 ALA PSI:  (95 ALA N)-(95 ALA CA)-(95 ALA C)-(96 LEU N) -75.1 -15.1
 &rst     iat =  1437,  1439,  1445,  1447,
   r1 = -76.1, r2 = -75.1, r3 = -15.1, r4 = -14.1,
 &end

# 96 LEU PHI:  (95 ALA C)-(96 LEU N)-(96 LEU CA)-(96 LEU C) -94.2 -34.2
 &rst     iat =  1445,  1447,  1449,  1464,
   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 =  1447,  1449,  1464,  1466,
   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) -93.4 -33.4
 &rst     iat =  1464,  1466,  1468,  1481,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 97 GLN PSI:  (97 GLN N)-(97 GLN CA)-(97 GLN C)-(98 GLU N) -71.6 -11.6
 &rst     iat =  1466,  1468,  1481,  1483,
   r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6,
 &end

# 98 GLU PHI:  (97 GLN C)-(98 GLU N)-(98 GLU CA)-(98 GLU C) -95.3 -35.3
 &rst     iat =  1481,  1483,  1485,  1496,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 98 GLU PSI:  (98 GLU N)-(98 GLU CA)-(98 GLU C)-(99 LEU N) -65.6  -5.6
 &rst     iat =  1483,  1485,  1496,  1498,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end

# 99 LEU PHI:  (98 GLU C)-(99 LEU N)-(99 LEU CA)-(99 LEU C) -94.0 -34.0
 &rst     iat =  1496,  1498,  1500,  1515,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 99 LEU PSI:  (99 LEU N)-(99 LEU CA)-(99 LEU C)-(100 VAL N) -69.8  -9.8
 &rst     iat =  1498,  1500,  1515,  1517,
   r1 = -70.8, r2 = -69.8, r3 =  -9.8, r4 =  -8.8,
 &end

# 100 VAL PHI:  (99 LEU C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -97.9 -37.9
 &rst     iat =  1515,  1517,  1519,  1531,
   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 =  1517,  1519,  1531,  1533,
   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 =  1531,  1533,  1535,  1545,
   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 =  1533,  1535,  1545,  1547,
   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 =   451,   453,   455,   458,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 29 CYS CHI1:  (29 CYS N)-(29 CYS CA)-(29 CYS CB)-(29 CYS SG) 160.0 210.0
 &rst     iat =   419,   421,   423,   426,
   r1 = 159.0, r2 = 160.0, r3 = 210.0, r4 = 211.0,
 &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 23rst_120605 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
#rst_120605
#  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=419,428,422,423, &end
#
#  chirality for residue 30 atoms:  N C HA2 HA3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=447,441,445,446, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=444,438,442,443, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=441,437,439,440, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=437,449,448,444, &end
#
#  chirality for residue 32 atoms:  CA SG HB2 HB3
 &rst iat=453,458,456,457, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=451,460,454,455, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=464,469,467,468, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=466,472,470,471, &end
#
#  chirality for residue 33 atoms:  CD NZ HE2 HE3
 &rst iat=472,478,476,477, &end
#
#  chirality for residue 33 atoms:  CG CE HD2 HD3
 &rst iat=469,475,473,474, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=462,482,465,466, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 34 atoms:  CB SD HG2 HG3
 &rst iat=488,494,492,493, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=484,499,487,488, &end
#
#  chirality for residue 35 atoms:  CA CG2 CG1 HB
 &rst iat=503,507,511,506, &end
#
#  chirality for residue 35 atoms:  CB CD1 HG12 HG13
 &rst iat=505,514,512,513, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=501,518,504,505, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=520,528,523,524, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=540,534,538,539, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=537,531,535,536, &end
#
#  chirality for residue 37 atoms:  CG N HD2 HD3
 &rst iat=534,530,532,533, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=530,542,541,537, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=546,550,554,549, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=544,558,547,548, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=562,567,565,566, &end
#
#  chirality for residue 39 atoms:  CB CD1 CD2 HG
 &rst iat=564,569,573,568, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=560,577,563,564, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=581,586,584,585, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=583,589,587,588, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=579,592,582,583, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=596,601,599,600, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=598,604,602,603, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=594,607,597,598, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 42 atoms:  CB CD1 CD2 HG
 &rst iat=613,618,622,617, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=609,626,612,613, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=628,638,631,632, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=642,647,645,646, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=644,650,648,649, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=640,655,643,644, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=659,664,662,663, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=661,667,665,666, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=657,670,660,661, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=674,679,677,678, &end
#
#  chirality for residue 46 atoms:  CB SD HG2 HG3
 &rst iat=676,682,680,681, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=672,687,675,676, &end
#
#  chirality for residue 47 atoms:  N C HA2 HA3
 &rst iat=689,694,692,693, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=698,703,701,702, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=696,706,699,700, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=710,715,713,714, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=712,718,716,717, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=718,724,722,723, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=715,721,719,720, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=708,728,711,712, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=732,737,735,736, &end
#
#  chirality for residue 50 atoms:  CB CD1 CD2 HG
 &rst iat=734,739,743,738, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=730,747,733,734, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=751,756,754,755, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 51 atoms:  CD NZ HE2 HE3
 &rst iat=759,765,763,764, &end
#
#  chirality for residue 51 atoms:  CG CE HD2 HD3
 &rst iat=756,762,760,761, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=749,769,752,753, &end
#
#  chirality for residue 52 atoms:  CA CG2 CG1 HB
 &rst iat=773,777,781,776, &end
#
#  chirality for residue 52 atoms:  CB CD1 HG12 HG13
 &rst iat=775,784,782,783, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=771,788,774,775, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=792,796,800,795, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=790,804,793,794, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=808,813,811,812, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=810,816,814,815, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=816,822,820,821, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=813,819,817,818, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=806,826,809,810, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=830,834,838,833, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=832,841,839,840, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=828,845,831,832, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=849,854,852,853, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=847,857,850,851, &end
#
#  chirality for residue 57 atoms:  CA CG1 CG2 HB
 &rst iat=861,865,869,864, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=859,873,862,863, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=877,882,880,881, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=875,885,878,879, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=889,894,892,893, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=891,897,895,896, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=887,900,890,891, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=904,909,907,908, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=902,914,905,906, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=918,923,921,922, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=920,926,924,925, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=916,931,919,920, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=935,940,938,939, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=937,943,941,942, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=933,946,936,937, &end
#
#  chirality for residue 63 atoms:  CA CG2 OG1 HB
 &rst iat=950,954,958,953, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=948,960,951,952, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=962,970,965,966, &end
#
#  chirality for residue 65 atoms:  N C HA2 HA3
 &rst iat=972,977,975,976, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=983,989,987,988, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=989,995,993,994, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=986,992,990,991, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=979,999,982,983, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1003,1008,1006,1007, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1001,1020,1004,1005, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1022,1027,1025,1026, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1031,1035,1039,1034, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1029,1043,1032,1033, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1047,1052,1050,1051, &end
#
#  chirality for residue 70 atoms:  CB SD HG2 HG3
 &rst iat=1049,1055,1053,1054, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1045,1060,1048,1049, &end
#
#  chirality for residue 71 atoms:  CA OG HB2 HB3
 &rst iat=1064,1069,1067,1068, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1062,1071,1065,1066, &end
#
#  chirality for residue 72 atoms:  CA CG2 CG1 HB
 &rst iat=1075,1079,1083,1078, &end
#
#  chirality for residue 72 atoms:  CB CD1 HG12 HG13
 &rst iat=1077,1086,1084,1085, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1073,1090,1076,1077, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1102,1096,1100,1101, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1099,1093,1097,1098, &end
#
#  chirality for residue 73 atoms:  CG N HD2 HD3
 &rst iat=1096,1092,1094,1095, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1092,1104,1103,1099, &end
#
#  chirality for residue 74 atoms:  CA CG2 OG1 HB
 &rst iat=1108,1112,1116,1111, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1106,1118,1109,1110, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1122,1127,1125,1126, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1124,1129,1133,1128, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1120,1137,1123,1124, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1141,1146,1144,1145, &end
#
#  chirality for residue 76 atoms:  CB CD1 CD2 HG
 &rst iat=1143,1148,1152,1147, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1139,1156,1142,1143, &end
#
#  chirality for residue 77 atoms:  CA CG1 CG2 HB
 &rst iat=1160,1164,1168,1163, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1158,1172,1161,1162, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1176,1181,1179,1180, &end
#
#  chirality for residue 78 atoms:  CB CD1 CD2 HG
 &rst iat=1178,1183,1187,1182, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1174,1191,1177,1178, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1197,1203,1201,1202, &end
#
#  chirality for residue 79 atoms:  CD NZ HE2 HE3
 &rst iat=1203,1209,1207,1208, &end
#
#  chirality for residue 79 atoms:  CG CE HD2 HD3
 &rst iat=1200,1206,1204,1205, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1193,1213,1196,1197, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1217,1222,1220,1221, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1215,1225,1218,1219, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1227,1232,1230,1231, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1236,1241,1239,1240, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1238,1244,1242,1243, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1234,1247,1237,1238, &end
#
#  chirality for residue 83 atoms:  CA CG1 CG2 HB
 &rst iat=1251,1255,1259,1254, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1249,1263,1252,1253, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1267,1271,1275,1270, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1265,1279,1268,1269, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1283,1288,1286,1287, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1285,1291,1289,1290, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1281,1294,1284,1285, &end
#
#  chirality for residue 86 atoms:  CA CG2 OG1 HB
 &rst iat=1298,1302,1306,1301, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1296,1308,1299,1300, &end
#
#  chirality for residue 87 atoms:  CA OG HB2 HB3
 &rst iat=1312,1317,1315,1316, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1310,1319,1313,1314, &end
#
#  chirality for residue 88 atoms:  CA CG1 CG2 HB
 &rst iat=1323,1327,1331,1326, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1321,1335,1324,1325, &end
#
#  chirality for residue 89 atoms:  N C HA2 HA3
 &rst iat=1337,1342,1340,1341, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1346,1351,1349,1350, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1344,1362,1347,1348, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1366,1371,1369,1370, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1368,1374,1372,1373, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1374,1380,1378,1379, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1371,1377,1375,1376, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1364,1384,1367,1368, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1396,1390,1394,1395, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1393,1387,1391,1392, &end
#
#  chirality for residue 92 atoms:  CG N HD2 HD3
 &rst iat=1390,1386,1388,1389, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1386,1398,1397,1393, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1402,1407,1405,1406, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1404,1410,1408,1409, &end
#
#  chirality for residue 93 atoms:  CD NZ HE2 HE3
 &rst iat=1410,1416,1414,1415, &end
#
#  chirality for residue 93 atoms:  CG CE HD2 HD3
 &rst iat=1407,1413,1411,1412, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1400,1420,1403,1404, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1424,1429,1427,1428, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1426,1432,1430,1431, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1422,1435,1425,1426, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1437,1445,1440,1441, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1449,1454,1452,1453, &end
#
#  chirality for residue 96 atoms:  CB CD1 CD2 HG
 &rst iat=1451,1456,1460,1455, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1447,1464,1450,1451, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1468,1473,1471,1472, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1466,1481,1469,1470, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1485,1490,1488,1489, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1487,1493,1491,1492, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1483,1496,1486,1487, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1500,1505,1503,1504, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1502,1507,1511,1506, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1498,1515,1501,1502, &end
#
#  chirality for residue 100 atoms:  CA CG1 CG2 HB
 &rst iat=1519,1523,1527,1522, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1517,1531,1520,1521, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1535,1540,1538,1539, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1533,1545,1536,1537, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1549,1554,1552,1553, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1551,1557,1555,1556, &end
#
#  chirality for residue 102 atoms:  CD NZ HE2 HE3
 &rst iat=1557,1563,1561,1562, &end
#
#  chirality for residue 102 atoms:  CG CE HD2 HD3
 &rst iat=1554,1560,1558,1559, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1547,1567,1550,1551, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1571,1576,1574,1575, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1569,1584,1572,1573, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1588,1593,1591,1592, &end
#
#  chirality for residue 104 atoms:  CB CD1 CD2 HG
 &rst iat=1590,1595,1599,1594, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1586,1603,1589,1590, &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=432,430,428,421, &end
#
#  trans-omega constraint for residue 31
 &rst iat=447,437,435,432, &end
#
#  trans-omega constraint for residue 32
 &rst iat=453,451,449,447, &end
#
#  trans-omega constraint for residue 33
 &rst iat=464,462,460,453, &end
#
#  trans-omega constraint for residue 34
 &rst iat=486,484,482,464, &end
#
#  trans-omega constraint for residue 35
 &rst iat=503,501,499,486, &end
#
#  trans-omega constraint for residue 36
 &rst iat=522,520,518,503, &end
#
#  trans-omega constraint for residue 37
 &rst iat=540,530,528,522, &end
#
#  trans-omega constraint for residue 38
 &rst iat=546,544,542,540, &end
#
#  trans-omega constraint for residue 39
 &rst iat=562,560,558,546, &end
#
#  trans-omega constraint for residue 40
 &rst iat=581,579,577,562, &end
#
#  trans-omega constraint for residue 41
 &rst iat=596,594,592,581, &end
#
#  trans-omega constraint for residue 42
 &rst iat=611,609,607,596, &end
#
#  trans-omega constraint for residue 43
 &rst iat=630,628,626,611, &end
#
#  trans-omega constraint for residue 44
 &rst iat=642,640,638,630, &end
#
#  trans-omega constraint for residue 45
 &rst iat=659,657,655,642, &end
#
#  trans-omega constraint for residue 46
 &rst iat=674,672,670,659, &end
#
#  trans-omega constraint for residue 47
 &rst iat=691,689,687,674, &end
#
#  trans-omega constraint for residue 48
 &rst iat=698,696,694,691, &end
#
#  trans-omega constraint for residue 49
 &rst iat=710,708,706,698, &end
#
#  trans-omega constraint for residue 50
 &rst iat=732,730,728,710, &end
#
#  trans-omega constraint for residue 51
 &rst iat=751,749,747,732, &end
#
#  trans-omega constraint for residue 52
 &rst iat=773,771,769,751, &end
#
#  trans-omega constraint for residue 53
 &rst iat=792,790,788,773, &end
#
#  trans-omega constraint for residue 54
 &rst iat=808,806,804,792, &end
#
#  trans-omega constraint for residue 55
 &rst iat=830,828,826,808, &end
#
#  trans-omega constraint for residue 56
 &rst iat=849,847,845,830, &end
#
#  trans-omega constraint for residue 57
 &rst iat=861,859,857,849, &end
#
#  trans-omega constraint for residue 58
 &rst iat=877,875,873,861, &end
#
#  trans-omega constraint for residue 59
 &rst iat=889,887,885,877, &end
#
#  trans-omega constraint for residue 60
 &rst iat=904,902,900,889, &end
#
#  trans-omega constraint for residue 61
 &rst iat=918,916,914,904, &end
#
#  trans-omega constraint for residue 62
 &rst iat=935,933,931,918, &end
#
#  trans-omega constraint for residue 63
 &rst iat=950,948,946,935, &end
#
#  trans-omega constraint for residue 64
 &rst iat=964,962,960,950, &end
#
#  trans-omega constraint for residue 65
 &rst iat=974,972,970,964, &end
#
#  trans-omega constraint for residue 66
 &rst iat=981,979,977,974, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1003,1001,999,981, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1024,1022,1020,1003, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1031,1029,1027,1024, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1047,1045,1043,1031, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1064,1062,1060,1047, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1075,1073,1071,1064, &end
#
#  cis-omega constraint for residue 73
 &rst iat=1102,1092,1090,1075, 
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 50., rk3= 50.,  &end
#
#  trans-omega constraint for residue 74
 &rst iat=1108,1106,1104,1102, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3= 50.,  &end
#
#  trans-omega constraint for residue 75
 &rst iat=1122,1120,1118,1108, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1141,1139,1137,1122, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1160,1158,1156,1141, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1176,1174,1172,1160, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1195,1193,1191,1176, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1217,1215,1213,1195, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1229,1227,1225,1217, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1236,1234,1232,1229, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1251,1249,1247,1236, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1267,1265,1263,1251, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1283,1281,1279,1267, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1298,1296,1294,1283, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1312,1310,1308,1298, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1323,1321,1319,1312, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1339,1337,1335,1323, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1346,1344,1342,1339, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1366,1364,1362,1346, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1396,1386,1384,1366, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1402,1400,1398,1396, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1424,1422,1420,1402, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1439,1437,1435,1424, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1449,1447,1445,1439, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1468,1466,1464,1449, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1485,1483,1481,1468, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1500,1498,1496,1485, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1519,1517,1515,1500, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1535,1533,1531,1519, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1549,1547,1545,1535, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1571,1569,1567,1549, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1588,1586,1584,1571, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          H1        MET   1   2.418  -0.147  -3.081
    2   2H    MET   1          H2        MET   1   0.954  -0.494  -2.463
    3   3H    MET   1          H3        MET   1   1.814   0.764  -1.848
    4    HA   MET   1           HA       MET   1   3.582  -0.868  -1.224
    5   1HB   MET   1          HB2       MET   1   0.883  -0.956   0.177
    6   2HB   MET   1          HB3       MET   1   2.336  -1.747   0.795
    7   1HG   MET   1          HG2       MET   1   2.044   1.233   0.271
    8   2HG   MET   1          HG3       MET   1   2.001   0.435   1.837
    9   1HE   MET   1          HE1       MET   1   5.329   2.500   1.945
   10   2HE   MET   1          HE2       MET   1   3.822   2.956   1.121
   11   3HE   MET   1          HE3       MET   1   3.762   2.185   2.724
   12    H    ALA   2           H        ALA   2   0.424  -2.657  -1.167
   13    HA   ALA   2           HA       ALA   2   1.273  -4.483  -3.217
   14   1HB   ALA   2          HB1       ALA   2   0.969  -6.524  -1.826
   15   2HB   ALA   2          HB2       ALA   2   2.377  -5.594  -1.277
   16   3HB   ALA   2          HB3       ALA   2   0.850  -5.524  -0.363
   17    H    ILE   3           H        ILE   3  -0.550  -5.438  -4.100
   18    HA   ILE   3           HA       ILE   3  -3.100  -4.185  -3.451
   19    HB   ILE   3           HB       ILE   3  -2.183  -6.216  -5.541
   20   1HG1  ILE   3          HG12      ILE   3  -2.819  -3.232  -5.723
   21   2HG1  ILE   3          HG13      ILE   3  -1.202  -3.916  -5.696
   22   1HG2  ILE   3          HG21      ILE   3  -4.348  -5.711  -6.712
   23   2HG2  ILE   3          HG22      ILE   3  -4.567  -6.569  -5.199
   24   3HG2  ILE   3          HG23      ILE   3  -4.880  -4.826  -5.267
   25   1HD1  ILE   3          HD11      ILE   3  -1.699  -5.149  -7.797
   26   2HD1  ILE   3          HD12      ILE   3  -3.226  -4.216  -7.913
   27   3HD1  ILE   3          HD13      ILE   3  -1.670  -3.379  -7.931
   28    H    VAL   4           H        VAL   4  -4.962  -5.290  -2.777
   29    HA   VAL   4           HA       VAL   4  -4.415  -7.577  -0.964
   30    HB   VAL   4           HB       VAL   4  -6.660  -5.522  -0.999
   31   1HG1  VAL   4          HG11      VAL   4  -7.398  -7.451   0.279
   32   2HG1  VAL   4          HG12      VAL   4  -5.845  -7.513   1.159
   33   3HG1  VAL   4          HG13      VAL   4  -6.982  -6.172   1.398
   34   1HG2  VAL   4          HG21      VAL   4  -4.083  -5.575   0.632
   35   2HG2  VAL   4          HG22      VAL   4  -4.575  -4.335  -0.543
   36   3HG2  VAL   4          HG23      VAL   4  -5.455  -4.504   0.969
   37    H    LYS   5           H        LYS   5  -6.444  -9.052  -0.709
   38    HA   LYS   5           HA       LYS   5  -7.894  -9.498  -3.262
   39   1HB   LYS   5          HB2       LYS   5  -6.274 -11.565  -1.683
   40   2HB   LYS   5          HB3       LYS   5  -7.657 -11.999  -2.663
   41   1HG   LYS   5          HG2       LYS   5  -6.287 -12.297  -4.344
   42   2HG   LYS   5          HG3       LYS   5  -6.234 -10.556  -4.505
   43   1HD   LYS   5          HD2       LYS   5  -4.230 -12.232  -2.923
   44   2HD   LYS   5          HD3       LYS   5  -4.015 -11.677  -4.590
   45   1HE   LYS   5          HE2       LYS   5  -4.272  -9.305  -3.786
   46   2HE   LYS   5          HE3       LYS   5  -4.290  -9.920  -2.123
   47   1HZ   LYS   5          HZ1       LYS   5  -2.119  -9.135  -2.810
   48   2HZ   LYS   5          HZ2       LYS   5  -2.050 -10.737  -2.448
   49   3HZ   LYS   5          HZ3       LYS   5  -2.032 -10.245  -4.010
   50    H    ALA   6           H        ALA   6 -10.051 -10.099  -2.851
   51    HA   ALA   6           HA       ALA   6 -10.806 -10.978  -0.156
   52   1HB   ALA   6          HB1       ALA   6 -11.975  -8.441  -1.367
   53   2HB   ALA   6          HB2       ALA   6 -12.461  -9.190   0.168
   54   3HB   ALA   6          HB3       ALA   6 -10.848  -8.478   0.012
   55    H    THR   7           H        THR   7 -13.180 -11.422  -0.045
   56    HA   THR   7           HA       THR   7 -14.601 -11.932  -2.556
   57    HB   THR   7           HB       THR   7 -15.201 -14.226  -1.698
   58    HG1  THR   7           HG1      THR   7 -14.626 -14.660   0.210
   59   1HG2  THR   7          HG21      THR   7 -12.204 -13.959  -2.138
   60   2HG2  THR   7          HG22      THR   7 -13.222 -15.386  -2.409
   61   3HG2  THR   7          HG23      THR   7 -13.423 -13.953  -3.435
   62    H    ASP   8           H        ASP   8 -16.944 -12.890  -1.573
   63    HA   ASP   8           HA       ASP   8 -18.300 -10.805  -0.366
   64   1HB   ASP   8          HB2       ASP   8 -19.234 -12.934  -1.464
   65   2HB   ASP   8          HB3       ASP   8 -18.922 -13.762   0.047
   66    H    GLN   9           H        GLN   9 -16.502 -13.370   1.194
   67    HA   GLN   9           HA       GLN   9 -17.492 -13.240   3.817
   68   1HB   GLN   9          HB2       GLN   9 -14.802 -14.081   2.642
   69   2HB   GLN   9          HB3       GLN   9 -15.220 -14.290   4.341
   70   1HG   GLN   9          HG2       GLN   9 -15.624 -16.384   3.245
   71   2HG   GLN   9          HG3       GLN   9 -17.169 -15.692   3.723
   72   1HE2  GLN   9          HE22      GLN   9 -18.511 -16.705   2.147
   73   2HE2  GLN   9          HE21      GLN   9 -18.323 -16.429   0.433
   74    H    SER  10           H        SER  10 -15.046 -11.204   2.222
   75    HA   SER  10           HA       SER  10 -14.778  -9.631   4.748
   76   1HB   SER  10          HB2       SER  10 -12.401 -10.623   3.118
   77   2HB   SER  10          HB3       SER  10 -12.357  -9.764   4.664
   78    HG   SER  10           HG       SER  10 -12.024 -12.017   4.904
   79    H    PHE  11           H        PHE  11 -15.192  -9.409   1.365
   80    HA   PHE  11           HA       PHE  11 -13.681  -7.129   0.749
   81   1HB   PHE  11          HB2       PHE  11 -15.006  -8.491  -0.849
   82   2HB   PHE  11          HB3       PHE  11 -16.496  -7.855  -0.165
   83    HD1  PHE  11           HD1      PHE  11 -13.249  -6.646  -1.663
   84    HD2  PHE  11           HD2      PHE  11 -17.498  -6.007  -1.282
   85    HE1  PHE  11           HE1      PHE  11 -13.122  -4.841  -3.340
   86    HE2  PHE  11           HE2      PHE  11 -17.359  -4.182  -2.954
   87    HZ   PHE  11           HZ       PHE  11 -15.187  -3.607  -4.003
   88    H    SER  12           H        SER  12 -16.759  -7.375   2.568
   89    HA   SER  12           HA       SER  12 -17.283  -4.583   2.529
   90   1HB   SER  12          HB2       SER  12 -18.190  -6.599   4.624
   91   2HB   SER  12          HB3       SER  12 -19.004  -5.097   4.148
   92    HG   SER  12           HG       SER  12 -19.944  -6.962   3.186
   93    H    ALA  13           H        ALA  13 -15.436  -6.642   4.772
   94    HA   ALA  13           HA       ALA  13 -15.015  -4.586   6.738
   95   1HB   ALA  13          HB1       ALA  13 -14.741  -6.981   7.277
   96   2HB   ALA  13          HB2       ALA  13 -13.390  -7.100   6.122
   97   3HB   ALA  13          HB3       ALA  13 -13.237  -6.086   7.569
   98    H    GLU  14           H        GLU  14 -13.165  -5.843   3.921
   99    HA   GLU  14           HA       GLU  14 -10.885  -4.229   4.322
  100   1HB   GLU  14          HB2       GLU  14 -12.039  -5.586   1.850
  101   2HB   GLU  14          HB3       GLU  14 -10.507  -4.719   1.804
  102   1HG   GLU  14          HG2       GLU  14 -11.136  -7.028   3.678
  103   2HG   GLU  14          HG3       GLU  14 -10.267  -7.178   2.147
  104    H    THR  15           H        THR  15 -13.881  -3.562   2.457
  105    HA   THR  15           HA       THR  15 -12.789  -1.126   1.391
  106    HB   THR  15           HB       THR  15 -15.138  -0.836   0.525
  107    HG1  THR  15           HG1      THR  15 -15.457  -3.512   1.384
  108   1HG2  THR  15          HG21      THR  15 -13.570  -3.393  -0.093
  109   2HG2  THR  15          HG22      THR  15 -14.903  -2.755  -1.073
  110   3HG2  THR  15          HG23      THR  15 -13.420  -1.813  -0.872
  111    H    SER  16           H        SER  16 -13.608  -1.717   4.512
  112    HA   SER  16           HA       SER  16 -14.994   0.884   4.915
  113   1HB   SER  16          HB2       SER  16 -15.059  -1.648   6.595
  114   2HB   SER  16          HB3       SER  16 -15.900  -0.132   6.968
  115    HG   SER  16           HG       SER  16 -16.420  -2.045   5.009
  116    H    GLU  17           H        GLU  17 -12.111   0.681   4.628
  117    HA   GLU  17           HA       GLU  17 -11.364   1.716   7.331
  118   1HB   GLU  17          HB2       GLU  17  -9.655  -0.009   5.490
  119   2HB   GLU  17          HB3       GLU  17  -9.145   0.658   7.046
  120   1HG   GLU  17          HG2       GLU  17 -10.965  -0.670   8.160
  121   2HG   GLU  17          HG3       GLU  17 -11.273  -1.459   6.605
  122    H    GLY  18           H        GLY  18 -11.674   2.713   4.129
  123   1HA   GLY  18          HA2       GLY  18 -10.303   5.127   4.382
  124   2HA   GLY  18          HA3       GLY  18  -9.117   3.933   3.777
  125    H    VAL  19           H        VAL  19  -9.077   5.352   1.876
  126    HA   VAL  19           HA       VAL  19 -11.323   5.153  -0.013
  127    HB   VAL  19           HB       VAL  19  -8.395   5.938  -0.459
  128   1HG1  VAL  19          HG11      VAL  19  -9.250   7.000  -2.503
  129   2HG1  VAL  19          HG12      VAL  19  -9.646   5.278  -2.521
  130   3HG1  VAL  19          HG13      VAL  19 -10.908   6.458  -2.122
  131   1HG2  VAL  19          HG21      VAL  19 -10.773   7.774  -0.032
  132   2HG2  VAL  19          HG22      VAL  19  -9.452   7.535   1.135
  133   3HG2  VAL  19          HG23      VAL  19  -9.120   8.277  -0.430
  134    H    VAL  20           H        VAL  20 -11.629   3.307  -1.246
  135    HA   VAL  20           HA       VAL  20  -9.368   1.405  -1.512
  136    HB   VAL  20           HB       VAL  20 -12.187   0.611  -0.669
  137   1HG1  VAL  20          HG11      VAL  20 -11.053  -1.605  -0.296
  138   2HG1  VAL  20          HG12      VAL  20 -11.056  -1.100  -1.992
  139   3HG1  VAL  20          HG13      VAL  20  -9.583  -0.929  -1.035
  140   1HG2  VAL  20          HG21      VAL  20 -10.943  -0.097   1.496
  141   2HG2  VAL  20          HG22      VAL  20  -9.679   1.023   0.999
  142   3HG2  VAL  20          HG23      VAL  20 -11.328   1.604   1.281
  143    H    LEU  21           H        LEU  21  -9.058   1.059  -3.582
  144    HA   LEU  21           HA       LEU  21 -11.295   1.320  -5.532
  145   1HB   LEU  21          HB2       LEU  21  -9.266   2.521  -6.079
  146   2HB   LEU  21          HB3       LEU  21  -8.274   1.070  -5.923
  147    HG   LEU  21           HG       LEU  21 -10.586   0.984  -7.866
  148   1HD1  LEU  21          HD11      LEU  21  -9.277   2.094  -9.622
  149   2HD1  LEU  21          HD12      LEU  21  -9.649   3.208  -8.304
  150   3HD1  LEU  21          HD13      LEU  21  -8.017   2.517  -8.438
  151   1HD2  LEU  21          HD21      LEU  21  -9.046  -0.981  -7.590
  152   2HD2  LEU  21          HD22      LEU  21  -8.992  -0.302  -9.216
  153   3HD2  LEU  21          HD23      LEU  21  -7.686   0.056  -8.071
  154    H    ALA  22           H        ALA  22 -11.867  -0.567  -6.713
  155    HA   ALA  22           HA       ALA  22 -10.688  -3.136  -5.798
  156   1HB   ALA  22          HB1       ALA  22 -13.660  -2.487  -6.031
  157   2HB   ALA  22          HB2       ALA  22 -12.969  -4.093  -5.709
  158   3HB   ALA  22          HB3       ALA  22 -12.772  -2.782  -4.520
  159    H    ASP  23           H        ASP  23 -10.866  -4.776  -7.373
  160    HA   ASP  23           HA       ASP  23 -11.609  -3.933 -10.144
  161   1HB   ASP  23          HB2       ASP  23  -9.227  -3.671 -10.021
  162   2HB   ASP  23          HB3       ASP  23  -9.041  -5.212  -9.190
  163    H    PHE  24           H        PHE  24 -13.358  -5.074 -10.344
  164    HA   PHE  24           HA       PHE  24 -13.715  -7.818  -9.410
  165   1HB   PHE  24          HB2       PHE  24 -15.463  -5.898 -10.986
  166   2HB   PHE  24          HB3       PHE  24 -15.892  -7.557 -10.643
  167    HD1  PHE  24           HD1      PHE  24 -17.116  -8.056  -8.693
  168    HD2  PHE  24           HD2      PHE  24 -14.853  -4.383  -8.845
  169    HE1  PHE  24           HE1      PHE  24 -18.005  -7.398  -6.473
  170    HE2  PHE  24           HE2      PHE  24 -15.696  -3.791  -6.591
  171    HZ   PHE  24           HZ       PHE  24 -17.283  -5.281  -5.415
  172    H    TRP  25           H        TRP  25 -12.688  -9.360 -10.583
  173    HA   TRP  25           HA       TRP  25 -12.307  -8.954 -13.512
  174   1HB   TRP  25          HB2       TRP  25 -10.013  -9.278 -13.381
  175   2HB   TRP  25          HB3       TRP  25 -10.362  -8.110 -12.131
  176    HD1  TRP  25           HD1      TRP  25 -10.599  -9.354  -9.571
  177    HE1  TRP  25           HE1      TRP  25  -9.112 -11.150  -8.518
  178    HE3  TRP  25           HE3      TRP  25  -8.346 -11.104 -13.820
  179    HZ2  TRP  25           HZ2      TRP  25  -7.083 -13.021  -9.400
  180    HZ3  TRP  25           HZ3      TRP  25  -6.595 -12.850 -13.674
  181    HH2  TRP  25           HH2      TRP  25  -5.976 -13.835 -11.482
  182    H    ALA  26           H        ALA  26 -11.171 -10.972 -14.469
  183    HA   ALA  26           HA       ALA  26 -11.494 -13.467 -13.071
  184   1HB   ALA  26          HB1       ALA  26 -13.018 -13.036 -15.689
  185   2HB   ALA  26          HB2       ALA  26 -12.865 -14.560 -14.786
  186   3HB   ALA  26          HB3       ALA  26 -13.774 -13.215 -14.086
  187    HA   PRO  27           HA       PRO  27  -7.802 -13.722 -15.383
  188   1HB   PRO  27          HB2       PRO  27  -7.143 -16.378 -15.346
  189   2HB   PRO  27          HB3       PRO  27  -7.222 -15.381 -13.863
  190   1HG   PRO  27          HG2       PRO  27  -9.357 -17.226 -14.980
  191   2HG   PRO  27          HG3       PRO  27  -8.741 -17.131 -13.298
  192   1HD   PRO  27          HD2       PRO  27 -11.031 -15.855 -14.100
  193   2HD   PRO  27          HD3       PRO  27  -9.926 -15.145 -12.876
  194    H    TRP  28           H        TRP  28 -10.531 -15.499 -16.757
  195    HA   TRP  28           HA       TRP  28  -9.125 -16.158 -19.221
  196   1HB   TRP  28          HB2       TRP  28 -11.475 -16.799 -19.937
  197   2HB   TRP  28          HB3       TRP  28 -10.747 -17.680 -18.615
  198    HD1  TRP  28           HD1      TRP  28 -12.697 -14.355 -18.225
  199    HE1  TRP  28           HE1      TRP  28 -14.752 -14.754 -16.778
  200    HE3  TRP  28           HE3      TRP  28 -12.230 -19.412 -17.557
  201    HZ2  TRP  28           HZ2      TRP  28 -15.999 -16.976 -15.394
  202    HZ3  TRP  28           HZ3      TRP  28 -13.857 -20.639 -16.144
  203    HH2  TRP  28           HH2      TRP  28 -15.741 -19.434 -15.056
  204    H    CYS  29           H        CYS  29 -10.247 -13.209 -17.987
  205    HA   CYS  29           HA       CYS  29 -11.197 -12.189 -20.599
  206   1HB   CYS  29          HB2       CYS  29 -12.522 -11.684 -18.581
  207   2HB   CYS  29          HB3       CYS  29 -11.106 -10.919 -17.835
  208    HG   CYS  29           HG       CYS  29 -13.040  -9.220 -18.849
  209    H    GLY  30           H        GLY  30  -9.621 -11.420 -21.931
  210   1HA   GLY  30          HA2       GLY  30  -6.905 -11.066 -21.349
  211   2HA   GLY  30          HA3       GLY  30  -7.768 -10.328 -22.702
  212    HA   PRO  31           HA       PRO  31  -7.682  -6.273 -21.036
  213   1HB   PRO  31          HB2       PRO  31 -10.593  -6.404 -20.225
  214   2HB   PRO  31          HB3       PRO  31  -9.709  -5.045 -20.991
  215   1HG   PRO  31          HG2       PRO  31 -11.194  -6.717 -22.511
  216   2HG   PRO  31          HG3       PRO  31  -9.554  -6.243 -23.065
  217   1HD   PRO  31          HD2       PRO  31 -10.433  -8.819 -21.770
  218   2HD   PRO  31          HD3       PRO  31  -9.267  -8.557 -23.094
  219    H    CYS  32           H        CYS  32  -9.265  -8.496 -18.677
  220    HA   CYS  32           HA       CYS  32  -8.744  -6.923 -16.331
  221   1HB   CYS  32          HB2       CYS  32  -8.891  -9.961 -16.706
  222   2HB   CYS  32          HB3       CYS  32  -8.753  -9.139 -15.155
  223    HG   CYS  32           HG       CYS  32 -11.109  -8.681 -17.438
  224    H    LYS  33           H        LYS  33  -6.694  -9.158 -18.225
  225    HA   LYS  33           HA       LYS  33  -4.485  -8.985 -16.287
  226   1HB   LYS  33          HB2       LYS  33  -4.714 -10.195 -19.073
  227   2HB   LYS  33          HB3       LYS  33  -3.261 -10.272 -18.070
  228   1HG   LYS  33          HG2       LYS  33  -4.380 -11.510 -16.332
  229   2HG   LYS  33          HG3       LYS  33  -5.964 -11.298 -17.074
  230   1HD   LYS  33          HD2       LYS  33  -3.696 -12.917 -18.295
  231   2HD   LYS  33          HD3       LYS  33  -5.066 -13.557 -17.370
  232   1HE   LYS  33          HE2       LYS  33  -6.581 -12.335 -19.080
  233   2HE   LYS  33          HE3       LYS  33  -5.126 -12.165 -20.078
  234   1HZ   LYS  33          HZ1       LYS  33  -4.935 -14.633 -19.963
  235   2HZ   LYS  33          HZ2       LYS  33  -6.359 -14.685 -19.133
  236   3HZ   LYS  33          HZ3       LYS  33  -6.320 -14.160 -20.685
  237    H    MET  34           H        MET  34  -5.453  -7.425 -19.373
  238    HA   MET  34           HA       MET  34  -2.996  -6.045 -19.765
  239   1HB   MET  34          HB2       MET  34  -5.801  -5.192 -20.584
  240   2HB   MET  34          HB3       MET  34  -4.303  -4.492 -21.189
  241   1HG   MET  34          HG2       MET  34  -5.103  -7.400 -21.514
  242   2HG   MET  34          HG3       MET  34  -5.305  -6.150 -22.738
  243   1HE   MET  34          HE1       MET  34  -2.498  -8.497 -24.183
  244   2HE   MET  34          HE2       MET  34  -3.870  -8.987 -23.165
  245   3HE   MET  34          HE3       MET  34  -4.104  -7.785 -24.455
  246    H    ILE  35           H        ILE  35  -5.918  -5.120 -17.839
  247    HA   ILE  35           HA       ILE  35  -4.725  -2.563 -17.180
  248    HB   ILE  35           HB       ILE  35  -7.175  -3.029 -17.398
  249   1HG1  ILE  35          HG12      ILE  35  -6.268  -1.635 -14.852
  250   2HG1  ILE  35          HG13      ILE  35  -6.243  -0.955 -16.480
  251   1HG2  ILE  35          HG21      ILE  35  -6.991  -4.146 -14.575
  252   2HG2  ILE  35          HG22      ILE  35  -8.456  -3.911 -15.550
  253   3HG2  ILE  35          HG23      ILE  35  -7.266  -5.105 -16.042
  254   1HD1  ILE  35          HD11      ILE  35  -8.175  -0.099 -15.374
  255   2HD1  ILE  35          HD12      ILE  35  -8.764  -1.282 -16.557
  256   3HD1  ILE  35          HD13      ILE  35  -8.687  -1.711 -14.835
  257    H    ALA  36           H        ALA  36  -4.150  -5.741 -15.974
  258    HA   ALA  36           HA       ALA  36  -3.824  -5.251 -13.240
  259   1HB   ALA  36          HB1       ALA  36  -3.824  -7.506 -14.238
  260   2HB   ALA  36          HB2       ALA  36  -2.210  -7.207 -14.920
  261   3HB   ALA  36          HB3       ALA  36  -2.433  -7.243 -13.167
  262    HA   PRO  37           HA       PRO  37   0.722  -3.907 -13.777
  263   1HB   PRO  37          HB2       PRO  37   1.508  -2.744 -16.176
  264   2HB   PRO  37          HB3       PRO  37   1.797  -4.446 -15.709
  265   1HG   PRO  37          HG2       PRO  37  -0.457  -3.331 -17.401
  266   2HG   PRO  37          HG3       PRO  37   0.574  -4.763 -17.729
  267   1HD   PRO  37          HD2       PRO  37  -1.868  -5.068 -16.666
  268   2HD   PRO  37          HD3       PRO  37  -0.513  -6.039 -16.045
  269    H    VAL  38           H        VAL  38  -1.965  -2.209 -15.430
  270    HA   VAL  38           HA       VAL  38  -1.014   0.420 -14.795
  271    HB   VAL  38           HB       VAL  38  -3.922  -0.345 -15.253
  272   1HG1  VAL  38          HG11      VAL  38  -3.331   2.007 -14.581
  273   2HG1  VAL  38          HG12      VAL  38  -2.307   2.113 -16.021
  274   3HG1  VAL  38          HG13      VAL  38  -4.065   1.900 -16.184
  275   1HG2  VAL  38          HG21      VAL  38  -1.784   0.090 -17.394
  276   2HG2  VAL  38          HG22      VAL  38  -2.704  -1.403 -17.123
  277   3HG2  VAL  38          HG23      VAL  38  -3.536   0.044 -17.684
  278    H    LEU  39           H        LEU  39  -3.159  -1.974 -13.177
  279    HA   LEU  39           HA       LEU  39  -3.746  -0.307 -10.928
  280   1HB   LEU  39          HB2       LEU  39  -3.796  -3.315 -11.338
  281   2HB   LEU  39          HB3       LEU  39  -4.296  -2.556  -9.831
  282    HG   LEU  39           HG       LEU  39  -5.537  -1.749 -12.495
  283   1HD1  LEU  39          HD11      LEU  39  -7.389  -3.286 -11.986
  284   2HD1  LEU  39          HD12      LEU  39  -5.871  -4.147 -12.252
  285   3HD1  LEU  39          HD13      LEU  39  -6.488  -3.922 -10.591
  286   1HD2  LEU  39          HD21      LEU  39  -7.395  -0.985 -11.087
  287   2HD2  LEU  39          HD22      LEU  39  -6.562  -1.566  -9.628
  288   3HD2  LEU  39          HD23      LEU  39  -5.898  -0.210 -10.559
  289    H    GLU  40           H        GLU  40  -1.046  -2.586 -11.632
  290    HA   GLU  40           HA       GLU  40   0.138  -2.292  -9.035
  291   1HB   GLU  40          HB2       GLU  40   1.319  -3.089 -11.719
  292   2HB   GLU  40          HB3       GLU  40   2.247  -3.041 -10.217
  293   1HG   GLU  40          HG2       GLU  40   0.668  -4.636  -9.166
  294   2HG   GLU  40          HG3       GLU  40  -0.242  -4.742 -10.669
  295    H    GLU  41           H        GLU  41   0.406  -0.316 -12.019
  296    HA   GLU  41           HA       GLU  41   2.400   1.457 -10.984
  297   1HB   GLU  41          HB2       GLU  41   0.256   1.762 -13.104
  298   2HB   GLU  41          HB3       GLU  41   1.245   3.123 -12.599
  299   1HG   GLU  41          HG2       GLU  41   2.348   0.491 -13.672
  300   2HG   GLU  41          HG3       GLU  41   2.115   1.954 -14.623
  301    H    LEU  42           H        LEU  42  -1.210   1.543 -10.775
  302    HA   LEU  42           HA       LEU  42  -1.226   3.885  -9.159
  303   1HB   LEU  42          HB2       LEU  42  -3.171   1.752  -9.887
  304   2HB   LEU  42          HB3       LEU  42  -3.468   2.505  -8.338
  305    HG   LEU  42           HG       LEU  42  -4.722   3.575 -10.130
  306   1HD1  LEU  42          HD11      LEU  42  -4.087   4.826  -8.082
  307   2HD1  LEU  42          HD12      LEU  42  -2.688   5.499  -8.942
  308   3HD1  LEU  42          HD13      LEU  42  -4.332   5.855  -9.491
  309   1HD2  LEU  42          HD21      LEU  42  -2.067   4.611 -11.219
  310   2HD2  LEU  42          HD22      LEU  42  -3.024   3.319 -11.961
  311   3HD2  LEU  42          HD23      LEU  42  -3.693   4.954 -11.837
  312    H    ASP  43           H        ASP  43  -0.863   0.447  -8.252
  313    HA   ASP  43           HA       ASP  43  -1.048   0.879  -5.449
  314   1HB   ASP  43          HB2       ASP  43  -1.203  -1.360  -6.292
  315   2HB   ASP  43          HB3       ASP  43   0.407  -1.265  -7.017
  316    H    GLN  44           H        GLN  44   1.728   1.101  -7.716
  317    HA   GLN  44           HA       GLN  44   3.698   1.600  -5.685
  318   1HB   GLN  44          HB2       GLN  44   3.507   2.120  -8.660
  319   2HB   GLN  44          HB3       GLN  44   4.930   2.603  -7.734
  320   1HG   GLN  44          HG2       GLN  44   5.484   0.341  -7.180
  321   2HG   GLN  44          HG3       GLN  44   3.923  -0.269  -7.740
  322   1HE2  GLN  44          HE22      GLN  44   3.425  -0.169 -10.014
  323   2HE2  GLN  44          HE21      GLN  44   4.631   0.174 -11.256
  324    H    GLU  45           H        GLU  45   1.722   3.702  -7.776
  325    HA   GLU  45           HA       GLU  45   3.004   6.130  -6.901
  326   1HB   GLU  45          HB2       GLU  45   0.517   5.526  -8.544
  327   2HB   GLU  45          HB3       GLU  45   1.130   7.160  -8.325
  328   1HG   GLU  45          HG2       GLU  45   2.905   4.967  -9.480
  329   2HG   GLU  45          HG3       GLU  45   1.741   5.841 -10.465
  330    H    MET  46           H        MET  46  -0.042   4.512  -6.012
  331    HA   MET  46           HA       MET  46  -0.625   6.638  -4.002
  332   1HB   MET  46          HB2       MET  46  -2.594   5.402  -5.977
  333   2HB   MET  46          HB3       MET  46  -2.974   6.567  -4.699
  334   1HG   MET  46          HG2       MET  46  -1.425   8.190  -5.770
  335   2HG   MET  46          HG3       MET  46  -1.249   7.057  -7.131
  336   1HE   MET  46          HE1       MET  46  -3.298  10.055  -8.589
  337   2HE   MET  46          HE2       MET  46  -2.155  10.205  -7.232
  338   3HE   MET  46          HE3       MET  46  -1.762   9.157  -8.614
  339    H    GLY  47           H        GLY  47  -0.094   3.315  -4.391
  340   1HA   GLY  47          HA2       GLY  47  -2.297   2.204  -2.945
  341   2HA   GLY  47          HA3       GLY  47  -0.814   1.386  -3.373
  342    H    ASP  48           H        ASP  48  -1.529   4.149  -1.337
  343    HA   ASP  48           HA       ASP  48  -1.085   2.862   1.179
  344   1HB   ASP  48          HB2       ASP  48   1.261   3.459   0.746
  345   2HB   ASP  48          HB3       ASP  48   0.782   5.091   0.262
  346    H    LYS  49           H        LYS  49  -1.409   5.868  -0.753
  347    HA   LYS  49           HA       LYS  49  -3.108   7.306   1.034
  348   1HB   LYS  49          HB2       LYS  49  -2.907   7.414  -2.011
  349   2HB   LYS  49          HB3       LYS  49  -3.706   8.608  -0.984
  350   1HG   LYS  49          HG2       LYS  49  -1.533   9.124   0.110
  351   2HG   LYS  49          HG3       LYS  49  -0.723   7.965  -0.964
  352   1HD   LYS  49          HD2       LYS  49  -1.527   9.268  -2.939
  353   2HD   LYS  49          HD3       LYS  49  -2.220  10.475  -1.851
  354   1HE   LYS  49          HE2       LYS  49   0.733   9.698  -1.982
  355   2HE   LYS  49          HE3       LYS  49   0.021  11.088  -2.801
  356   1HZ   LYS  49          HZ1       LYS  49  -0.576  11.993  -0.630
  357   2HZ   LYS  49          HZ2       LYS  49   0.111  10.720   0.137
  358   3HZ   LYS  49          HZ3       LYS  49   1.028  11.746  -0.731
  359    H    LEU  50           H        LEU  50  -3.660   4.779  -1.400
  360    HA   LEU  50           HA       LEU  50  -6.323   4.383  -0.290
  361   1HB   LEU  50          HB2       LEU  50  -7.455   4.545  -2.179
  362   2HB   LEU  50          HB3       LEU  50  -6.153   5.611  -2.687
  363    HG   LEU  50           HG       LEU  50  -6.314   2.649  -3.435
  364   1HD1  LEU  50          HD11      LEU  50  -7.292   5.109  -4.885
  365   2HD1  LEU  50          HD12      LEU  50  -7.134   3.502  -5.622
  366   3HD1  LEU  50          HD13      LEU  50  -8.271   3.761  -4.285
  367   1HD2  LEU  50          HD21      LEU  50  -4.064   3.532  -3.669
  368   2HD2  LEU  50          HD22      LEU  50  -4.781   3.307  -5.262
  369   3HD2  LEU  50          HD23      LEU  50  -4.680   4.940  -4.565
  370    H    LYS  51           H        LYS  51  -7.139   2.199  -0.702
  371    HA   LYS  51           HA       LYS  51  -4.978   0.132  -0.791
  372   1HB   LYS  51          HB2       LYS  51  -6.516   0.277   1.186
  373   2HB   LYS  51          HB3       LYS  51  -7.890   0.056   0.107
  374   1HG   LYS  51          HG2       LYS  51  -6.929  -2.216  -0.516
  375   2HG   LYS  51          HG3       LYS  51  -5.717  -1.971   0.749
  376   1HD   LYS  51          HD2       LYS  51  -8.752  -2.055   1.107
  377   2HD   LYS  51          HD3       LYS  51  -7.622  -3.351   1.496
  378   1HE   LYS  51          HE2       LYS  51  -6.537  -1.860   3.200
  379   2HE   LYS  51          HE3       LYS  51  -7.763  -0.616   2.874
  380   1HZ   LYS  51          HZ1       LYS  51  -8.306  -2.122   4.794
  381   2HZ   LYS  51          HZ2       LYS  51  -9.452  -2.128   3.612
  382   3HZ   LYS  51          HZ3       LYS  51  -8.397  -3.378   3.751
  383    H    ILE  52           H        ILE  52  -5.312  -1.691  -2.326
  384    HA   ILE  52           HA       ILE  52  -7.410  -1.248  -4.390
  385    HB   ILE  52           HB       ILE  52  -4.581  -2.235  -4.887
  386   1HG1  ILE  52          HG12      ILE  52  -5.964   0.408  -5.488
  387   2HG1  ILE  52          HG13      ILE  52  -4.478   0.130  -4.574
  388   1HG2  ILE  52          HG21      ILE  52  -6.288  -3.391  -6.312
  389   2HG2  ILE  52          HG22      ILE  52  -6.854  -1.810  -6.875
  390   3HG2  ILE  52          HG23      ILE  52  -5.213  -2.386  -7.252
  391   1HD1  ILE  52          HD11      ILE  52  -3.397  -0.646  -6.733
  392   2HD1  ILE  52          HD12      ILE  52  -4.849  -0.032  -7.572
  393   3HD1  ILE  52          HD13      ILE  52  -3.834   1.070  -6.626
  394    H    VAL  53           H        VAL  53  -8.719  -3.057  -4.552
  395    HA   VAL  53           HA       VAL  53  -7.732  -5.587  -3.306
  396    HB   VAL  53           HB       VAL  53 -10.614  -4.618  -3.318
  397   1HG1  VAL  53          HG11      VAL  53 -10.845  -6.242  -1.466
  398   2HG1  VAL  53          HG12      VAL  53 -10.321  -7.028  -2.960
  399   3HG1  VAL  53          HG13      VAL  53  -9.147  -6.719  -1.660
  400   1HG2  VAL  53          HG21      VAL  53  -9.338  -2.974  -2.030
  401   2HG2  VAL  53          HG22      VAL  53 -10.372  -3.944  -0.984
  402   3HG2  VAL  53          HG23      VAL  53  -8.618  -4.265  -1.044
  403    H    LYS  54           H        LYS  54  -7.517  -7.172  -4.772
  404    HA   LYS  54           HA       LYS  54  -9.034  -7.225  -7.306
  405   1HB   LYS  54          HB2       LYS  54  -7.139  -9.159  -5.880
  406   2HB   LYS  54          HB3       LYS  54  -7.904  -9.541  -7.416
  407   1HG   LYS  54          HG2       LYS  54  -6.060  -7.176  -6.980
  408   2HG   LYS  54          HG3       LYS  54  -5.565  -8.752  -7.625
  409   1HD   LYS  54          HD2       LYS  54  -7.274  -8.475  -9.452
  410   2HD   LYS  54          HD3       LYS  54  -7.579  -6.823  -8.854
  411   1HE   LYS  54          HE2       LYS  54  -5.397  -6.096  -9.332
  412   2HE   LYS  54          HE3       LYS  54  -4.797  -7.761  -9.527
  413   1HZ   LYS  54          HZ1       LYS  54  -5.200  -6.582 -11.677
  414   2HZ   LYS  54          HZ2       LYS  54  -6.028  -7.984 -11.543
  415   3HZ   LYS  54          HZ3       LYS  54  -6.823  -6.574 -11.340
  416    H    ILE  55           H        ILE  55 -10.915  -8.404  -7.632
  417    HA   ILE  55           HA       ILE  55 -11.660 -10.432  -5.629
  418    HB   ILE  55           HB       ILE  55 -12.428  -8.448  -4.606
  419   1HG1  ILE  55          HG12      ILE  55 -14.903  -9.452  -5.910
  420   2HG1  ILE  55          HG13      ILE  55 -13.969 -10.530  -4.861
  421   1HG2  ILE  55          HG21      ILE  55 -13.994  -6.822  -5.593
  422   2HG2  ILE  55          HG22      ILE  55 -12.463  -6.829  -6.462
  423   3HG2  ILE  55          HG23      ILE  55 -13.883  -7.646  -7.152
  424   1HD1  ILE  55          HD11      ILE  55 -14.186  -8.852  -3.017
  425   2HD1  ILE  55          HD12      ILE  55 -15.281  -7.900  -4.055
  426   3HD1  ILE  55          HD13      ILE  55 -15.738  -9.525  -3.538
  427    H    ASP  56           H        ASP  56 -12.561 -12.188  -6.635
  428    HA   ASP  56           HA       ASP  56 -12.682 -12.003  -9.581
  429   1HB   ASP  56          HB2       ASP  56 -11.184 -13.622  -8.469
  430   2HB   ASP  56          HB3       ASP  56 -12.591 -14.428  -7.769
  431    H    VAL  57           H        VAL  57 -14.606 -12.106 -10.688
  432    HA   VAL  57           HA       VAL  57 -17.039 -11.935  -9.241
  433    HB   VAL  57           HB       VAL  57 -18.154 -11.937 -11.431
  434   1HG1  VAL  57          HG11      VAL  57 -17.253  -9.897 -10.365
  435   2HG1  VAL  57          HG12      VAL  57 -15.725 -10.109 -11.250
  436   3HG1  VAL  57          HG13      VAL  57 -17.246  -9.804 -12.124
  437   1HG2  VAL  57          HG21      VAL  57 -16.645 -13.476 -12.676
  438   2HG2  VAL  57          HG22      VAL  57 -16.877 -11.931 -13.501
  439   3HG2  VAL  57          HG23      VAL  57 -15.366 -12.246 -12.626
  440    H    ASP  58           H        ASP  58 -15.463 -14.891 -10.305
  441    HA   ASP  58           HA       ASP  58 -17.975 -16.420 -10.324
  442   1HB   ASP  58          HB2       ASP  58 -16.011 -17.194 -11.597
  443   2HB   ASP  58          HB3       ASP  58 -15.079 -17.321 -10.100
  444    H    GLU  59           H        GLU  59 -15.637 -15.293  -7.980
  445    HA   GLU  59           HA       GLU  59 -16.387 -17.302  -5.943
  446   1HB   GLU  59          HB2       GLU  59 -14.312 -15.061  -5.980
  447   2HB   GLU  59          HB3       GLU  59 -14.570 -16.191  -4.642
  448   1HG   GLU  59          HG2       GLU  59 -14.153 -18.098  -6.291
  449   2HG   GLU  59          HG3       GLU  59 -13.621 -16.882  -7.453
  450    H    ASN  60           H        ASN  60 -16.739 -13.869  -6.636
  451    HA   ASN  60           HA       ASN  60 -18.287 -13.476  -4.110
  452   1HB   ASN  60          HB2       ASN  60 -17.455 -11.375  -3.856
  453   2HB   ASN  60          HB3       ASN  60 -16.053 -12.158  -4.560
  454   1HD2  ASN  60          HD22      ASN  60 -15.987 -11.951  -7.114
  455   2HD2  ASN  60          HD21      ASN  60 -16.418 -10.351  -7.700
  456    H    GLN  61           H        GLN  61 -19.455 -14.688  -6.357
  457    HA   GLN  61           HA       GLN  61 -20.625 -13.018  -8.260
  458   1HB   GLN  61          HB2       GLN  61 -22.099 -14.833  -8.758
  459   2HB   GLN  61          HB3       GLN  61 -20.480 -15.436  -8.451
  460   1HG   GLN  61          HG2       GLN  61 -22.907 -15.656  -6.655
  461   2HG   GLN  61          HG3       GLN  61 -22.073 -16.960  -7.497
  462   1HE2  GLN  61          HE22      GLN  61 -19.540 -17.176  -6.786
  463   2HE2  GLN  61          HE21      GLN  61 -19.265 -16.916  -5.079
  464    H    GLU  62           H        GLU  62 -21.826 -13.860  -5.012
  465    HA   GLU  62           HA       GLU  62 -24.267 -12.399  -5.133
  466   1HB   GLU  62          HB2       GLU  62 -22.429 -13.425  -2.947
  467   2HB   GLU  62          HB3       GLU  62 -23.832 -12.413  -2.542
  468   1HG   GLU  62          HG2       GLU  62 -25.327 -13.996  -3.740
  469   2HG   GLU  62          HG3       GLU  62 -23.952 -15.041  -4.083
  470    H    THR  63           H        THR  63 -20.969 -11.408  -3.949
  471    HA   THR  63           HA       THR  63 -21.830  -8.867  -3.049
  472    HB   THR  63           HB       THR  63 -19.006  -9.215  -3.858
  473    HG1  THR  63           HG1      THR  63 -20.152 -10.796  -1.799
  474   1HG2  THR  63          HG21      THR  63 -19.723  -7.346  -2.409
  475   2HG2  THR  63          HG22      THR  63 -20.228  -8.523  -1.170
  476   3HG2  THR  63          HG23      THR  63 -18.520  -8.396  -1.640
  477    H    ALA  64           H        ALA  64 -20.294  -9.954  -6.130
  478    HA   ALA  64           HA       ALA  64 -20.116  -7.373  -7.291
  479   1HB   ALA  64          HB1       ALA  64 -20.618 -10.051  -8.683
  480   2HB   ALA  64          HB2       ALA  64 -19.866  -8.603  -9.390
  481   3HB   ALA  64          HB3       ALA  64 -19.027  -9.502  -8.120
  482    H    GLY  65           H        GLY  65 -22.769  -9.807  -7.286
  483   1HA   GLY  65          HA2       GLY  65 -24.714  -8.403  -8.754
  484   2HA   GLY  65          HA3       GLY  65 -25.015  -9.569  -7.452
  485    H    LYS  66           H        LYS  66 -23.543  -7.824  -5.451
  486    HA   LYS  66           HA       LYS  66 -25.739  -6.321  -4.433
  487   1HB   LYS  66          HB2       LYS  66 -23.530  -7.295  -3.320
  488   2HB   LYS  66          HB3       LYS  66 -22.877  -5.692  -3.694
  489   1HG   LYS  66          HG2       LYS  66 -24.749  -4.679  -2.376
  490   2HG   LYS  66          HG3       LYS  66 -25.296  -6.304  -1.949
  491   1HD   LYS  66          HD2       LYS  66 -22.603  -5.034  -1.282
  492   2HD   LYS  66          HD3       LYS  66 -23.922  -5.286  -0.152
  493   1HE   LYS  66          HE2       LYS  66 -22.315  -7.500  -1.527
  494   2HE   LYS  66          HE3       LYS  66 -22.048  -6.919   0.105
  495   1HZ   LYS  66          HZ1       LYS  66 -24.271  -7.678   0.700
  496   2HZ   LYS  66          HZ2       LYS  66 -24.541  -8.244  -0.809
  497   3HZ   LYS  66          HZ3       LYS  66 -23.381  -8.911   0.124
  498    H    TYR  67           H        TYR  67 -23.279  -5.518  -6.791
  499    HA   TYR  67           HA       TYR  67 -24.186  -2.678  -6.840
  500   1HB   TYR  67          HB2       TYR  67 -21.551  -3.659  -7.925
  501   2HB   TYR  67          HB3       TYR  67 -22.009  -2.025  -7.470
  502    HD1  TYR  67           HD1      TYR  67 -20.376  -5.058  -6.492
  503    HD2  TYR  67           HD2      TYR  67 -22.413  -1.615  -4.876
  504    HE1  TYR  67           HE1      TYR  67 -19.433  -5.562  -4.288
  505    HE2  TYR  67           HE2      TYR  67 -21.443  -2.086  -2.646
  506    HH   TYR  67           HH       TYR  67 -20.125  -3.533  -1.377
  507    H    GLY  68           H        GLY  68 -24.993  -5.419  -8.298
  508   1HA   GLY  68          HA2       GLY  68 -25.852  -5.986 -10.312
  509   2HA   GLY  68          HA3       GLY  68 -25.755  -4.285 -10.799
  510    H    VAL  69           H        VAL  69 -22.834  -6.041  -9.810
  511    HA   VAL  69           HA       VAL  69 -21.724  -5.697 -12.535
  512    HB   VAL  69           HB       VAL  69 -20.466  -6.282  -9.815
  513   1HG1  VAL  69          HG11      VAL  69 -19.098  -5.864 -12.521
  514   2HG1  VAL  69          HG12      VAL  69 -18.281  -5.923 -10.944
  515   3HG1  VAL  69          HG13      VAL  69 -19.090  -7.362 -11.562
  516   1HG2  VAL  69          HG21      VAL  69 -20.374  -3.822 -11.622
  517   2HG2  VAL  69          HG22      VAL  69 -21.263  -3.950 -10.107
  518   3HG2  VAL  69          HG23      VAL  69 -19.498  -4.020 -10.084
  519    H    MET  70           H        MET  70 -21.704  -7.395 -13.868
  520    HA   MET  70           HA       MET  70 -20.908 -10.028 -12.925
  521   1HB   MET  70          HB2       MET  70 -23.682  -9.448 -13.895
  522   2HB   MET  70          HB3       MET  70 -22.925 -10.845 -14.633
  523   1HG   MET  70          HG2       MET  70 -23.249 -10.466 -11.641
  524   2HG   MET  70          HG3       MET  70 -24.248 -11.447 -12.693
  525   1HE   MET  70          HE1       MET  70 -20.480 -12.800 -10.582
  526   2HE   MET  70          HE2       MET  70 -20.621 -11.099 -11.065
  527   3HE   MET  70          HE3       MET  70 -21.851 -11.823 -10.008
  528    H    SER  71           H        SER  71 -19.707  -7.807 -14.388
  529    HA   SER  71           HA       SER  71 -18.872  -9.161 -16.821
  530   1HB   SER  71          HB2       SER  71 -19.772  -6.242 -16.769
  531   2HB   SER  71          HB3       SER  71 -19.102  -7.110 -18.159
  532    HG   SER  71           HG       SER  71 -21.393  -6.965 -18.226
  533    H    ILE  72           H        ILE  72 -16.715  -8.338 -17.457
  534    HA   ILE  72           HA       ILE  72 -15.305  -6.821 -15.377
  535    HB   ILE  72           HB       ILE  72 -13.660  -8.516 -15.062
  536   1HG1  ILE  72          HG12      ILE  72 -13.679  -9.738 -17.162
  537   2HG1  ILE  72          HG13      ILE  72 -13.677 -10.754 -15.746
  538   1HG2  ILE  72          HG21      ILE  72 -14.848 -10.062 -13.651
  539   2HG2  ILE  72          HG22      ILE  72 -15.551  -8.442 -13.522
  540   3HG2  ILE  72          HG23      ILE  72 -16.381  -9.694 -14.457
  541   1HD1  ILE  72          HD11      ILE  72 -16.090 -11.265 -16.088
  542   2HD1  ILE  72          HD12      ILE  72 -16.064 -10.271 -17.569
  543   3HD1  ILE  72          HD13      ILE  72 -15.070 -11.727 -17.456
  544    HA   PRO  73           HA       PRO  73 -12.869  -6.537 -15.028
  545   1HB   PRO  73          HB2       PRO  73 -11.333  -4.311 -15.481
  546   2HB   PRO  73          HB3       PRO  73 -10.761  -5.979 -15.726
  547   1HG   PRO  73          HG2       PRO  73 -11.762  -4.014 -17.777
  548   2HG   PRO  73          HG3       PRO  73 -10.383  -5.150 -17.903
  549   1HD   PRO  73          HD2       PRO  73 -12.865  -5.639 -19.007
  550   2HD   PRO  73          HD3       PRO  73 -11.795  -6.941 -18.415
  551    H    THR  74           H        THR  74 -13.888  -5.300 -13.517
  552    HA   THR  74           HA       THR  74 -15.156  -2.747 -14.363
  553    HB   THR  74           HB       THR  74 -16.450  -4.959 -12.722
  554    HG1  THR  74           HG1      THR  74 -17.285  -5.395 -14.552
  555   1HG2  THR  74          HG21      THR  74 -18.399  -3.326 -12.664
  556   2HG2  THR  74          HG22      THR  74 -17.025  -2.884 -11.639
  557   3HG2  THR  74          HG23      THR  74 -17.269  -2.060 -13.187
  558    H    LEU  75           H        LEU  75 -14.378  -1.173 -13.165
  559    HA   LEU  75           HA       LEU  75 -12.851  -1.839 -10.705
  560   1HB   LEU  75          HB2       LEU  75 -12.913   0.737 -12.324
  561   2HB   LEU  75          HB3       LEU  75 -12.012   0.472 -10.834
  562    HG   LEU  75           HG       LEU  75 -11.522  -0.882 -13.518
  563   1HD1  LEU  75          HD11      LEU  75  -9.846   1.027 -11.831
  564   2HD1  LEU  75          HD12      LEU  75  -9.367   0.330 -13.388
  565   3HD1  LEU  75          HD13      LEU  75 -10.730   1.456 -13.311
  566   1HD2  LEU  75          HD21      LEU  75 -11.040  -2.557 -11.876
  567   2HD2  LEU  75          HD22      LEU  75  -9.504  -1.891 -12.418
  568   3HD2  LEU  75          HD23      LEU  75 -10.176  -1.400 -10.843
  569    H    LEU  76           H        LEU  76 -13.483  -0.899  -8.800
  570    HA   LEU  76           HA       LEU  76 -15.905   0.839  -8.773
  571   1HB   LEU  76          HB2       LEU  76 -15.512  -1.760  -7.377
  572   2HB   LEU  76          HB3       LEU  76 -15.848  -0.425  -6.293
  573    HG   LEU  76           HG       LEU  76 -17.862   0.148  -7.714
  574   1HD1  LEU  76          HD11      LEU  76 -17.413  -2.681  -8.782
  575   2HD1  LEU  76          HD12      LEU  76 -18.832  -1.649  -9.084
  576   3HD1  LEU  76          HD13      LEU  76 -17.252  -1.189  -9.725
  577   1HD2  LEU  76          HD21      LEU  76 -19.273  -1.540  -6.632
  578   2HD2  LEU  76          HD22      LEU  76 -17.850  -2.539  -6.281
  579   3HD2  LEU  76          HD23      LEU  76 -18.039  -0.945  -5.518
  580    H    VAL  77           H        VAL  77 -15.817   2.364  -7.046
  581    HA   VAL  77           HA       VAL  77 -13.279   2.465  -5.500
  582    HB   VAL  77           HB       VAL  77 -14.744   4.842  -6.697
  583   1HG1  VAL  77          HG11      VAL  77 -13.822   5.181  -4.348
  584   2HG1  VAL  77          HG12      VAL  77 -12.217   4.822  -5.002
  585   3HG1  VAL  77          HG13      VAL  77 -13.156   6.227  -5.574
  586   1HG2  VAL  77          HG21      VAL  77 -13.299   3.800  -8.409
  587   2HG2  VAL  77          HG22      VAL  77 -12.584   5.330  -7.874
  588   3HG2  VAL  77          HG23      VAL  77 -11.929   3.805  -7.274
  589    H    LEU  78           H        LEU  78 -13.715   2.509  -3.421
  590    HA   LEU  78           HA       LEU  78 -16.386   3.253  -2.431
  591   1HB   LEU  78          HB2       LEU  78 -14.707   0.936  -1.361
  592   2HB   LEU  78          HB3       LEU  78 -16.268   1.480  -0.778
  593    HG   LEU  78           HG       LEU  78 -16.974   0.916  -3.346
  594   1HD1  LEU  78          HD11      LEU  78 -14.751   0.127  -4.058
  595   2HD1  LEU  78          HD12      LEU  78 -14.731  -1.054  -2.748
  596   3HD1  LEU  78          HD13      LEU  78 -15.917  -1.202  -4.053
  597   1HD2  LEU  78          HD21      LEU  78 -16.769  -1.169  -1.144
  598   2HD2  LEU  78          HD22      LEU  78 -18.066   0.026  -1.328
  599   3HD2  LEU  78          HD23      LEU  78 -17.841  -1.225  -2.556
  600    H    LYS  79           H        LYS  79 -16.253   4.082  -0.215
  601    HA   LYS  79           HA       LYS  79 -13.546   4.817   0.722
  602   1HB   LYS  79          HB2       LYS  79 -14.329   6.523  -0.958
  603   2HB   LYS  79          HB3       LYS  79 -15.687   6.908   0.102
  604   1HG   LYS  79          HG2       LYS  79 -14.193   7.756   1.814
  605   2HG   LYS  79          HG3       LYS  79 -12.779   7.069   0.997
  606   1HD   LYS  79          HD2       LYS  79 -13.178   8.596  -0.955
  607   2HD   LYS  79          HD3       LYS  79 -14.525   9.341  -0.079
  608   1HE   LYS  79          HE2       LYS  79 -13.030  10.183   1.652
  609   2HE   LYS  79          HE3       LYS  79 -11.696   9.201   1.047
  610   1HZ   LYS  79          HZ1       LYS  79 -11.241  11.271   0.160
  611   2HZ   LYS  79          HZ2       LYS  79 -11.946  10.536  -1.080
  612   3HZ   LYS  79          HZ3       LYS  79 -12.821  11.615  -0.195
  613    H    ASP  80           H        ASP  80 -13.539   4.313   2.843
  614    HA   ASP  80           HA       ASP  80 -14.235   3.693   4.855
  615   1HB   ASP  80          HB2       ASP  80 -14.114   6.155   4.994
  616   2HB   ASP  80          HB3       ASP  80 -15.846   6.258   4.678
  617    H    GLY  81           H        GLY  81 -15.708   2.308   2.884
  618   1HA   GLY  81          HA2       GLY  81 -17.021   0.509   3.461
  619   2HA   GLY  81          HA3       GLY  81 -17.943   1.467   4.613
  620    H    GLU  82           H        GLU  82 -17.964   3.347   1.794
  621    HA   GLU  82           HA       GLU  82 -20.288   1.869   0.663
  622   1HB   GLU  82          HB2       GLU  82 -21.546   3.848   0.584
  623   2HB   GLU  82          HB3       GLU  82 -20.857   3.744   2.211
  624   1HG   GLU  82          HG2       GLU  82 -19.111   5.401   1.560
  625   2HG   GLU  82          HG3       GLU  82 -19.864   5.551  -0.031
  626    H    VAL  83           H        VAL  83 -20.573   2.012  -1.571
  627    HA   VAL  83           HA       VAL  83 -18.244   2.593  -3.200
  628    HB   VAL  83           HB       VAL  83 -19.695   0.733  -3.705
  629   1HG1  VAL  83          HG11      VAL  83 -21.923   2.717  -4.306
  630   2HG1  VAL  83          HG12      VAL  83 -21.945   0.972  -4.629
  631   3HG1  VAL  83          HG13      VAL  83 -21.895   1.549  -2.965
  632   1HG2  VAL  83          HG21      VAL  83 -19.853   2.831  -5.901
  633   2HG2  VAL  83          HG22      VAL  83 -18.458   1.789  -5.543
  634   3HG2  VAL  83          HG23      VAL  83 -19.975   1.073  -6.095
  635    H    VAL  84           H        VAL  84 -17.796   4.268  -4.370
  636    HA   VAL  84           HA       VAL  84 -19.629   6.600  -4.401
  637    HB   VAL  84           HB       VAL  84 -17.703   8.081  -4.073
  638   1HG1  VAL  84          HG11      VAL  84 -19.099   7.389  -2.132
  639   2HG1  VAL  84          HG12      VAL  84 -17.934   6.097  -1.775
  640   3HG1  VAL  84          HG13      VAL  84 -17.435   7.795  -1.685
  641   1HG2  VAL  84          HG21      VAL  84 -15.862   6.599  -4.847
  642   2HG2  VAL  84          HG22      VAL  84 -15.548   7.284  -3.252
  643   3HG2  VAL  84          HG23      VAL  84 -16.072   5.597  -3.390
  644    H    GLU  85           H        GLU  85 -17.523   4.429  -6.210
  645    HA   GLU  85           HA       GLU  85 -18.552   5.764  -8.585
  646   1HB   GLU  85          HB2       GLU  85 -15.883   6.445  -7.726
  647   2HB   GLU  85          HB3       GLU  85 -15.726   5.462  -9.173
  648   1HG   GLU  85          HG2       GLU  85 -17.429   7.982  -8.913
  649   2HG   GLU  85          HG3       GLU  85 -15.804   7.911  -9.570
  650    H    THR  86           H        THR  86 -18.068   4.557 -10.602
  651    HA   THR  86           HA       THR  86 -17.032   1.824 -10.377
  652    HB   THR  86           HB       THR  86 -19.921   2.494 -11.079
  653    HG1  THR  86           HG1      THR  86 -18.853   1.974  -8.825
  654   1HG2  THR  86          HG21      THR  86 -20.212  -0.006 -11.334
  655   2HG2  THR  86          HG22      THR  86 -19.289   0.764 -12.630
  656   3HG2  THR  86          HG23      THR  86 -18.440  -0.152 -11.373
  657    H    SER  87           H        SER  87 -16.236   1.130 -12.388
  658    HA   SER  87           HA       SER  87 -16.798   2.644 -14.860
  659   1HB   SER  87          HB2       SER  87 -13.974   2.243 -13.778
  660   2HB   SER  87          HB3       SER  87 -14.439   3.093 -15.257
  661    HG   SER  87           HG       SER  87 -15.541   4.616 -13.872
  662    H    VAL  88           H        VAL  88 -16.003   1.377 -16.783
  663    HA   VAL  88           HA       VAL  88 -15.467  -1.491 -16.158
  664    HB   VAL  88           HB       VAL  88 -17.520  -0.447 -18.149
  665   1HG1  VAL  88          HG11      VAL  88 -18.238  -2.830 -18.274
  666   2HG1  VAL  88          HG12      VAL  88 -16.588  -2.614 -18.847
  667   3HG1  VAL  88          HG13      VAL  88 -16.878  -3.286 -17.225
  668   1HG2  VAL  88          HG21      VAL  88 -18.411  -0.094 -15.888
  669   2HG2  VAL  88          HG22      VAL  88 -19.235  -1.451 -16.646
  670   3HG2  VAL  88          HG23      VAL  88 -17.973  -1.758 -15.435
  671    H    GLY  89           H        GLY  89 -14.221  -2.567 -17.678
  672   1HA   GLY  89          HA2       GLY  89 -13.068  -2.906 -19.669
  673   2HA   GLY  89          HA3       GLY  89 -13.420  -1.258 -20.193
  674    H    PHE  90           H        PHE  90 -10.975  -1.968 -20.702
  675    HA   PHE  90           HA       PHE  90  -8.944  -1.607 -18.727
  676   1HB   PHE  90          HB2       PHE  90  -8.521  -2.646 -20.889
  677   2HB   PHE  90          HB3       PHE  90  -9.034  -1.197 -21.741
  678    HD1  PHE  90           HD1      PHE  90  -6.343  -2.652 -19.610
  679    HD2  PHE  90           HD2      PHE  90  -7.532   0.658 -22.109
  680    HE1  PHE  90           HE1      PHE  90  -4.013  -1.782 -19.583
  681    HE2  PHE  90           HE2      PHE  90  -5.204   1.514 -22.081
  682    HZ   PHE  90           HZ       PHE  90  -3.443   0.297 -20.811
  683    H    LYS  91           H        LYS  91  -7.548   0.295 -18.428
  684    HA   LYS  91           HA       LYS  91  -8.421   2.808 -19.573
  685   1HB   LYS  91          HB2       LYS  91  -8.282   2.413 -16.538
  686   2HB   LYS  91          HB3       LYS  91  -7.890   3.953 -17.285
  687   1HG   LYS  91          HG2       LYS  91 -10.065   4.381 -16.929
  688   2HG   LYS  91          HG3       LYS  91 -10.177   3.673 -18.537
  689   1HD   LYS  91          HD2       LYS  91 -10.504   1.391 -17.176
  690   2HD   LYS  91          HD3       LYS  91 -10.810   2.446 -15.815
  691   1HE   LYS  91          HE2       LYS  91 -12.889   1.713 -16.817
  692   2HE   LYS  91          HE3       LYS  91 -12.732   3.467 -17.003
  693   1HZ   LYS  91          HZ1       LYS  91 -12.510   3.231 -19.266
  694   2HZ   LYS  91          HZ2       LYS  91 -11.805   1.753 -19.192
  695   3HZ   LYS  91          HZ3       LYS  91 -13.425   1.894 -18.967
  696    HA   PRO  92           HA       PRO  92  -3.926   3.061 -19.553
  697   1HB   PRO  92          HB2       PRO  92  -3.581   5.670 -20.241
  698   2HB   PRO  92          HB3       PRO  92  -4.230   4.456 -21.397
  699   1HG   PRO  92          HG2       PRO  92  -5.779   6.440 -19.729
  700   2HG   PRO  92          HG3       PRO  92  -5.935   6.108 -21.483
  701   1HD   PRO  92          HD2       PRO  92  -7.561   4.934 -19.604
  702   2HD   PRO  92          HD3       PRO  92  -7.067   4.087 -21.100
  703    H    LYS  93           H        LYS  93  -2.248   4.120 -18.237
  704    HA   LYS  93           HA       LYS  93  -2.918   4.336 -15.519
  705   1HB   LYS  93          HB2       LYS  93  -0.628   3.837 -16.326
  706   2HB   LYS  93          HB3       LYS  93  -0.486   5.476 -16.980
  707   1HG   LYS  93          HG2       LYS  93  -0.735   6.397 -14.669
  708   2HG   LYS  93          HG3       LYS  93  -0.812   4.741 -14.036
  709   1HD   LYS  93          HD2       LYS  93   1.470   4.312 -14.803
  710   2HD   LYS  93          HD3       LYS  93   1.525   5.877 -15.650
  711   1HE   LYS  93          HE2       LYS  93   1.243   7.089 -13.542
  712   2HE   LYS  93          HE3       LYS  93   1.087   5.571 -12.650
  713   1HZ   LYS  93          HZ1       LYS  93   3.530   6.427 -14.092
  714   2HZ   LYS  93          HZ2       LYS  93   3.322   6.477 -12.469
  715   3HZ   LYS  93          HZ3       LYS  93   3.375   5.021 -13.253
  716    H    GLU  94           H        GLU  94  -2.374   7.047 -17.863
  717    HA   GLU  94           HA       GLU  94  -2.413   9.004 -15.883
  718   1HB   GLU  94          HB2       GLU  94  -1.550   9.196 -18.239
  719   2HB   GLU  94          HB3       GLU  94  -3.223   9.288 -18.817
  720   1HG   GLU  94          HG2       GLU  94  -3.569  11.330 -17.452
  721   2HG   GLU  94          HG3       GLU  94  -1.920  11.191 -16.831
  722    H    ALA  95           H        ALA  95  -5.110   7.740 -17.863
  723    HA   ALA  95           HA       ALA  95  -7.107   9.496 -16.831
  724   1HB   ALA  95          HB1       ALA  95  -8.682   7.817 -17.724
  725   2HB   ALA  95          HB2       ALA  95  -7.390   8.143 -18.899
  726   3HB   ALA  95          HB3       ALA  95  -7.354   6.656 -17.905
  727    H    LEU  96           H        LEU  96  -5.964   6.231 -15.840
  728    HA   LEU  96           HA       LEU  96  -7.966   5.875 -13.872
  729   1HB   LEU  96          HB2       LEU  96  -6.670   4.027 -14.882
  730   2HB   LEU  96          HB3       LEU  96  -5.202   4.610 -14.091
  731    HG   LEU  96           HG       LEU  96  -6.173   4.154 -11.873
  732   1HD1  LEU  96          HD11      LEU  96  -8.300   2.866 -11.677
  733   2HD1  LEU  96          HD12      LEU  96  -8.555   4.513 -12.229
  734   3HD1  LEU  96          HD13      LEU  96  -8.623   3.171 -13.398
  735   1HD2  LEU  96          HD21      LEU  96  -6.425   1.789 -13.783
  736   2HD2  LEU  96          HD22      LEU  96  -4.931   2.373 -13.021
  737   3HD2  LEU  96          HD23      LEU  96  -6.217   1.694 -12.019
  738    H    GLN  97           H        GLN  97  -4.617   7.244 -13.665
  739    HA   GLN  97           HA       GLN  97  -4.892   7.534 -10.802
  740   1HB   GLN  97          HB2       GLN  97  -2.796   8.649 -10.758
  741   2HB   GLN  97          HB3       GLN  97  -2.702   7.234 -11.785
  742   1HG   GLN  97          HG2       GLN  97  -1.468   8.814 -12.952
  743   2HG   GLN  97          HG3       GLN  97  -3.022   8.819 -13.766
  744   1HE2  GLN  97          HE22      GLN  97  -3.781  10.806 -14.270
  745   2HE2  GLN  97          HE21      GLN  97  -3.337  12.293 -13.448
  746    H    GLU  98           H        GLU  98  -5.742   9.563 -13.592
  747    HA   GLU  98           HA       GLU  98  -6.177  11.936 -12.064
  748   1HB   GLU  98          HB2       GLU  98  -6.005  11.901 -14.542
  749   2HB   GLU  98          HB3       GLU  98  -7.503  10.979 -14.637
  750   1HG   GLU  98          HG2       GLU  98  -8.040  13.246 -15.114
  751   2HG   GLU  98          HG3       GLU  98  -8.704  12.877 -13.531
  752    H    LEU  99           H        LEU  99  -8.270   9.218 -13.096
  753    HA   LEU  99           HA       LEU  99 -10.668  10.022 -11.838
  754   1HB   LEU  99          HB2       LEU  99 -10.592   8.188 -13.439
  755   2HB   LEU  99          HB3       LEU  99  -9.535   7.253 -12.387
  756    HG   LEU  99           HG       LEU  99 -11.345   7.025 -10.708
  757   1HD1  LEU  99          HD11      LEU  99 -12.664   9.061 -11.148
  758   2HD1  LEU  99          HD12      LEU  99 -13.065   8.472 -12.777
  759   3HD1  LEU  99          HD13      LEU  99 -13.674   7.628 -11.337
  760   1HD2  LEU  99          HD21      LEU  99 -12.723   5.462 -12.003
  761   2HD2  LEU  99          HD22      LEU  99 -12.131   6.169 -13.521
  762   3HD2  LEU  99          HD23      LEU  99 -11.015   5.311 -12.437
  763    H    VAL 100           H        VAL 100  -7.938   8.082 -10.507
  764    HA   VAL 100           HA       VAL 100  -9.220   7.716  -8.009
  765    HB   VAL 100           HB       VAL 100  -6.333   7.438  -8.902
  766   1HG1  VAL 100          HG11      VAL 100  -6.166   7.960  -6.531
  767   2HG1  VAL 100          HG12      VAL 100  -7.508   6.876  -6.155
  768   3HG1  VAL 100          HG13      VAL 100  -5.949   6.219  -6.725
  769   1HG2  VAL 100          HG21      VAL 100  -6.801   5.038  -8.676
  770   2HG2  VAL 100          HG22      VAL 100  -8.416   5.381  -8.019
  771   3HG2  VAL 100          HG23      VAL 100  -8.046   5.755  -9.706
  772    H    ASN 101           H        ASN 101  -6.719  10.149  -9.019
  773    HA   ASN 101           HA       ASN 101  -6.479  11.205  -6.418
  774   1HB   ASN 101          HB2       ASN 101  -4.963  12.608  -7.213
  775   2HB   ASN 101          HB3       ASN 101  -5.071  11.628  -8.667
  776   1HD2  ASN 101          HD22      ASN 101  -6.872  12.432 -10.266
  777   2HD2  ASN 101          HD21      ASN 101  -6.804  14.129 -10.622
  778    H    LYS 102           H        LYS 102  -8.905  11.841  -8.835
  779    HA   LYS 102           HA       LYS 102  -9.996  14.199  -7.640
  780   1HB   LYS 102          HB2       LYS 102 -11.147  12.072  -9.484
  781   2HB   LYS 102          HB3       LYS 102 -12.125  13.421  -8.895
  782   1HG   LYS 102          HG2       LYS 102 -10.613  15.058  -9.858
  783   2HG   LYS 102          HG3       LYS 102  -9.491  13.795 -10.382
  784   1HD   LYS 102          HD2       LYS 102 -11.189  12.862 -11.898
  785   2HD   LYS 102          HD3       LYS 102 -12.375  14.068 -11.337
  786   1HE   LYS 102          HE2       LYS 102 -10.888  15.893 -12.139
  787   2HE   LYS 102          HE3       LYS 102  -9.719  14.698 -12.706
  788   1HZ   LYS 102          HZ1       LYS 102 -11.422  13.889 -14.260
  789   2HZ   LYS 102          HZ2       LYS 102 -12.489  15.007 -13.726
  790   3HZ   LYS 102          HZ3       LYS 102 -11.139  15.476 -14.501
  791    H    HIS 103           H        HIS 103 -10.217  10.828  -6.542
  792    HA   HIS 103           HA       HIS 103 -12.349  11.698  -4.625
  793   1HB   HIS 103          HB2       HIS 103 -13.123   9.474  -4.566
  794   2HB   HIS 103          HB3       HIS 103 -12.984   9.946  -6.259
  795    HD1  HIS 103           HD1      HIS 103 -10.666   8.103  -3.720
  796    HD2  HIS 103           HD2      HIS 103 -12.015   8.017  -7.694
  797    HE1  HIS 103           HE1      HIS 103  -9.599   6.043  -4.801
  798    H    LEU 104           H        LEU 104  -9.042  11.366  -4.591
  799    HA   LEU 104           HA       LEU 104  -8.699   9.959  -2.102
  800   1HB   LEU 104          HB2       LEU 104  -7.032  12.125  -3.441
  801   2HB   LEU 104          HB3       LEU 104  -6.579  11.328  -1.942
  802    HG   LEU 104           HG       LEU 104  -6.921   9.931  -4.627
  803   1HD1  LEU 104          HD11      LEU 104  -4.943  11.419  -4.516
  804   2HD1  LEU 104          HD12      LEU 104  -4.407  10.590  -3.042
  805   3HD1  LEU 104          HD13      LEU 104  -4.480   9.712  -4.587
  806   1HD2  LEU 104          HD21      LEU 104  -6.003   8.840  -1.934
  807   2HD2  LEU 104          HD22      LEU 104  -7.426   8.340  -2.872
  808   3HD2  LEU 104          HD23      LEU 104  -5.813   7.997  -3.489
  Start of MODEL    2
    1   1H    MET   1          H1        MET   1   2.349   0.869   0.256
    2   2H    MET   1          H2        MET   1   1.688  -0.599   0.556
    3   3H    MET   1          H3        MET   1   3.290  -0.483   0.239
    4    HA   MET   1           HA       MET   1   1.106   0.096  -1.647
    5   1HB   MET   1          HB2       MET   1   4.116   0.238  -2.098
    6   2HB   MET   1          HB3       MET   1   2.901   0.209  -3.370
    7   1HG   MET   1          HG2       MET   1   3.455   2.471  -3.098
    8   2HG   MET   1          HG3       MET   1   1.860   2.261  -2.405
    9   1HE   MET   1          HE1       MET   1   5.542   3.295  -1.893
   10   2HE   MET   1          HE2       MET   1   5.756   3.293  -0.130
   11   3HE   MET   1          HE3       MET   1   5.602   1.755  -1.004
   12    H    ALA   2           H        ALA   2   0.072  -1.839  -1.608
   13    HA   ALA   2           HA       ALA   2   1.199  -3.890  -3.191
   14   1HB   ALA   2          HB1       ALA   2   2.103  -4.762  -1.030
   15   2HB   ALA   2          HB2       ALA   2   0.482  -4.640  -0.301
   16   3HB   ALA   2          HB3       ALA   2   0.782  -5.784  -1.625
   17    H    ILE   3           H        ILE   3  -0.470  -4.985  -4.164
   18    HA   ILE   3           HA       ILE   3  -3.170  -3.926  -3.849
   19    HB   ILE   3           HB       ILE   3  -1.902  -6.073  -5.615
   20   1HG1  ILE   3          HG12      ILE   3  -2.842  -3.223  -6.198
   21   2HG1  ILE   3          HG13      ILE   3  -1.170  -3.698  -5.968
   22   1HG2  ILE   3          HG21      ILE   3  -4.747  -4.981  -5.818
   23   2HG2  ILE   3          HG22      ILE   3  -3.954  -6.057  -6.992
   24   3HG2  ILE   3          HG23      ILE   3  -4.291  -6.645  -5.387
   25   1HD1  ILE   3          HD11      ILE   3  -1.313  -5.189  -7.922
   26   2HD1  ILE   3          HD12      ILE   3  -2.941  -4.511  -8.266
   27   3HD1  ILE   3          HD13      ILE   3  -1.519  -3.457  -8.266
   28    H    VAL   4           H        VAL   4  -5.005  -5.321  -3.292
   29    HA   VAL   4           HA       VAL   4  -4.309  -7.490  -1.363
   30    HB   VAL   4           HB       VAL   4  -6.426  -5.314  -1.102
   31   1HG1  VAL   4          HG11      VAL   4  -6.514  -6.038   1.298
   32   2HG1  VAL   4          HG12      VAL   4  -7.120  -7.247   0.187
   33   3HG1  VAL   4          HG13      VAL   4  -5.486  -7.424   0.886
   34   1HG2  VAL   4          HG21      VAL   4  -3.702  -5.529   0.249
   35   2HG2  VAL   4          HG22      VAL   4  -4.256  -4.237  -0.840
   36   3HG2  VAL   4          HG23      VAL   4  -4.985  -4.409   0.750
   37    H    LYS   5           H        LYS   5  -6.372  -8.847  -0.962
   38    HA   LYS   5           HA       LYS   5  -8.163  -9.031  -3.302
   39   1HB   LYS   5          HB2       LYS   5  -6.356 -11.225  -2.221
   40   2HB   LYS   5          HB3       LYS   5  -7.899 -11.627  -2.963
   41   1HG   LYS   5          HG2       LYS   5  -7.276 -11.093  -5.066
   42   2HG   LYS   5          HG3       LYS   5  -6.228  -9.766  -4.581
   43   1HD   LYS   5          HD2       LYS   5  -5.456 -12.675  -4.182
   44   2HD   LYS   5          HD3       LYS   5  -5.043 -11.719  -5.621
   45   1HE   LYS   5          HE2       LYS   5  -3.930 -10.017  -4.185
   46   2HE   LYS   5          HE3       LYS   5  -4.288 -10.984  -2.754
   47   1HZ   LYS   5          HZ1       LYS   5  -2.564 -11.859  -5.002
   48   2HZ   LYS   5          HZ2       LYS   5  -2.041 -11.384  -3.535
   49   3HZ   LYS   5          HZ3       LYS   5  -2.903 -12.757  -3.680
   50    H    ALA   6           H        ALA   6 -10.215  -9.758  -2.693
   51    HA   ALA   6           HA       ALA   6 -10.649 -10.687   0.056
   52   1HB   ALA   6          HB1       ALA   6 -12.066  -8.204  -1.011
   53   2HB   ALA   6          HB2       ALA   6 -12.296  -8.963   0.579
   54   3HB   ALA   6          HB3       ALA   6 -10.760  -8.172   0.194
   55    H    THR   7           H        THR   7 -13.090 -11.131   0.334
   56    HA   THR   7           HA       THR   7 -14.474 -11.704  -2.167
   57    HB   THR   7           HB       THR   7 -15.198 -13.926  -1.343
   58    HG1  THR   7           HG1      THR   7 -13.193 -13.614   0.647
   59   1HG2  THR   7          HG21      THR   7 -13.181 -13.819  -2.835
   60   2HG2  THR   7          HG22      THR   7 -12.153 -13.848  -1.394
   61   3HG2  THR   7          HG23      THR   7 -13.215 -15.223  -1.758
   62    H    ASP   8           H        ASP   8 -16.932 -12.327  -1.406
   63    HA   ASP   8           HA       ASP   8 -18.133 -10.233  -0.102
   64   1HB   ASP   8          HB2       ASP   8 -19.399 -12.044  -1.271
   65   2HB   ASP   8          HB3       ASP   8 -19.020 -13.140   0.043
   66    H    GLN   9           H        GLN   9 -16.537 -12.928   1.453
   67    HA   GLN   9           HA       GLN   9 -17.555 -12.781   4.073
   68   1HB   GLN   9          HB2       GLN   9 -14.896 -13.679   2.895
   69   2HB   GLN   9          HB3       GLN   9 -15.251 -13.813   4.606
   70   1HG   GLN   9          HG2       GLN   9 -15.621 -15.930   3.439
   71   2HG   GLN   9          HG3       GLN   9 -17.060 -15.335   4.255
   72   1HE2  GLN   9          HE22      GLN   9 -15.579 -14.961   0.899
   73   2HE2  GLN   9          HE21      GLN   9 -17.080 -15.367   0.087
   74    H    SER  10           H        SER  10 -15.035 -10.801   2.508
   75    HA   SER  10           HA       SER  10 -14.791  -9.169   4.993
   76   1HB   SER  10          HB2       SER  10 -12.391 -10.304   3.494
   77   2HB   SER  10          HB3       SER  10 -12.373  -9.384   5.006
   78    HG   SER  10           HG       SER  10 -12.128 -11.633   5.350
   79    H    PHE  11           H        PHE  11 -15.167  -9.060   1.649
   80    HA   PHE  11           HA       PHE  11 -13.567  -6.927   0.818
   81   1HB   PHE  11          HB2       PHE  11 -14.995  -8.289  -0.640
   82   2HB   PHE  11          HB3       PHE  11 -16.444  -7.641   0.115
   83    HD1  PHE  11           HD1      PHE  11 -13.629  -6.937  -2.187
   84    HD2  PHE  11           HD2      PHE  11 -17.270  -5.393  -0.459
   85    HE1  PHE  11           HE1      PHE  11 -13.721  -5.202  -3.938
   86    HE2  PHE  11           HE2      PHE  11 -17.342  -3.635  -2.211
   87    HZ   PHE  11           HZ       PHE  11 -15.607  -3.559  -3.973
   88    H    SER  12           H        SER  12 -16.583  -6.833   2.764
   89    HA   SER  12           HA       SER  12 -16.919  -4.027   2.571
   90   1HB   SER  12          HB2       SER  12 -17.831  -5.828   4.848
   91   2HB   SER  12          HB3       SER  12 -18.580  -4.318   4.297
   92    HG   SER  12           HG       SER  12 -19.674  -6.184   3.523
   93    H    ALA  13           H        ALA  13 -15.069  -6.038   4.856
   94    HA   ALA  13           HA       ALA  13 -14.438  -3.879   6.651
   95   1HB   ALA  13          HB1       ALA  13 -14.295  -6.243   7.357
   96   2HB   ALA  13          HB2       ALA  13 -13.001  -6.532   6.168
   97   3HB   ALA  13          HB3       ALA  13 -12.730  -5.426   7.527
   98    H    GLU  14           H        GLU  14 -12.810  -5.442   3.845
   99    HA   GLU  14           HA       GLU  14 -10.433  -3.917   4.045
  100   1HB   GLU  14          HB2       GLU  14 -11.727  -5.413   1.730
  101   2HB   GLU  14          HB3       GLU  14 -10.171  -4.605   1.561
  102   1HG   GLU  14          HG2       GLU  14 -10.813  -6.764   3.601
  103   2HG   GLU  14          HG3       GLU  14  -9.951  -7.017   2.079
  104    H    THR  15           H        THR  15 -13.479  -3.237   2.274
  105    HA   THR  15           HA       THR  15 -12.351  -0.928   1.002
  106    HB   THR  15           HB       THR  15 -14.763  -0.520   0.346
  107    HG1  THR  15           HG1      THR  15 -15.112  -3.155   1.317
  108   1HG2  THR  15          HG21      THR  15 -13.226  -1.605  -1.174
  109   2HG2  THR  15          HG22      THR  15 -13.369  -3.159  -0.334
  110   3HG2  THR  15          HG23      THR  15 -14.753  -2.485  -1.216
  111    H    SER  16           H        SER  16 -12.972  -1.307   4.219
  112    HA   SER  16           HA       SER  16 -14.186   1.376   4.584
  113   1HB   SER  16          HB2       SER  16 -14.153  -1.045   6.417
  114   2HB   SER  16          HB3       SER  16 -14.865   0.532   6.802
  115    HG   SER  16           HG       SER  16 -15.707  -1.415   4.973
  116    H    GLU  17           H        GLU  17 -11.364   1.042   3.994
  117    HA   GLU  17           HA       GLU  17 -10.278   2.279   6.495
  118   1HB   GLU  17          HB2       GLU  17  -8.855   0.282   4.694
  119   2HB   GLU  17          HB3       GLU  17  -8.146   1.111   6.087
  120   1HG   GLU  17          HG2       GLU  17  -9.945   0.058   7.528
  121   2HG   GLU  17          HG3       GLU  17 -10.374  -0.946   6.134
  122    H    GLY  18           H        GLY  18 -11.012   3.068   3.345
  123   1HA   GLY  18          HA2       GLY  18  -9.634   5.449   3.218
  124   2HA   GLY  18          HA3       GLY  18  -8.504   4.237   2.528
  125    H    VAL  19           H        VAL  19  -8.788   5.584   0.484
  126    HA   VAL  19           HA       VAL  19 -11.337   5.112  -0.937
  127    HB   VAL  19           HB       VAL  19  -8.652   6.202  -1.907
  128   1HG1  VAL  19          HG11      VAL  19 -11.359   6.038  -3.323
  129   2HG1  VAL  19          HG12      VAL  19  -9.914   6.862  -3.947
  130   3HG1  VAL  19          HG13      VAL  19  -9.910   5.107  -3.749
  131   1HG2  VAL  19          HG21      VAL  19 -11.306   7.596  -1.326
  132   2HG2  VAL  19          HG22      VAL  19  -9.792   7.802  -0.407
  133   3HG2  VAL  19          HG23      VAL  19  -9.910   8.358  -2.085
  134    H    VAL  20           H        VAL  20 -11.583   3.236  -2.168
  135    HA   VAL  20           HA       VAL  20  -9.254   1.415  -2.350
  136    HB   VAL  20           HB       VAL  20 -12.005   0.582  -1.358
  137   1HG1  VAL  20          HG11      VAL  20 -10.803  -1.573  -0.905
  138   2HG1  VAL  20          HG12      VAL  20 -10.896  -1.182  -2.625
  139   3HG1  VAL  20          HG13      VAL  20  -9.380  -0.916  -1.744
  140   1HG2  VAL  20          HG21      VAL  20  -9.462   1.284   0.131
  141   2HG2  VAL  20          HG22      VAL  20 -11.150   1.638   0.526
  142   3HG2  VAL  20          HG23      VAL  20 -10.498   0.014   0.759
  143    H    LEU  21           H        LEU  21  -8.957   0.942  -4.400
  144    HA   LEU  21           HA       LEU  21 -11.174   1.209  -6.353
  145   1HB   LEU  21          HB2       LEU  21  -8.955   2.197  -6.887
  146   2HB   LEU  21          HB3       LEU  21  -8.199   0.609  -6.686
  147    HG   LEU  21           HG       LEU  21  -9.525  -0.242  -8.629
  148   1HD1  LEU  21          HD11      LEU  21 -10.505   2.648  -8.751
  149   2HD1  LEU  21          HD12      LEU  21 -10.623   1.512 -10.101
  150   3HD1  LEU  21          HD13      LEU  21 -11.499   1.177  -8.602
  151   1HD2  LEU  21          HD21      LEU  21  -8.273   0.988 -10.348
  152   2HD2  LEU  21          HD22      LEU  21  -7.964   2.316  -9.208
  153   3HD2  LEU  21          HD23      LEU  21  -7.253   0.713  -8.927
  154    H    ALA  22           H        ALA  22 -12.474  -0.553  -6.057
  155    HA   ALA  22           HA       ALA  22 -11.359  -3.260  -5.680
  156   1HB   ALA  22          HB1       ALA  22 -13.754  -3.920  -5.889
  157   2HB   ALA  22          HB2       ALA  22 -13.469  -2.732  -4.590
  158   3HB   ALA  22          HB3       ALA  22 -14.184  -2.215  -6.137
  159    H    ASP  23           H        ASP  23 -11.306  -4.771  -7.336
  160    HA   ASP  23           HA       ASP  23 -12.012  -3.919 -10.107
  161   1HB   ASP  23          HB2       ASP  23  -9.626  -3.597  -9.906
  162   2HB   ASP  23          HB3       ASP  23  -9.432  -5.172  -9.132
  163    H    PHE  24           H        PHE  24 -13.787  -5.090 -10.251
  164    HA   PHE  24           HA       PHE  24 -14.016  -7.878  -9.428
  165   1HB   PHE  24          HB2       PHE  24 -15.824  -6.022 -11.013
  166   2HB   PHE  24          HB3       PHE  24 -16.196  -7.698 -10.654
  167    HD1  PHE  24           HD1      PHE  24 -15.617  -4.341  -9.110
  168    HD2  PHE  24           HD2      PHE  24 -16.948  -8.393  -8.451
  169    HE1  PHE  24           HE1      PHE  24 -16.364  -3.736  -6.825
  170    HE2  PHE  24           HE2      PHE  24 -17.727  -7.764  -6.185
  171    HZ   PHE  24           HZ       PHE  24 -17.390  -5.440  -5.354
  172    H    TRP  25           H        TRP  25 -12.975  -9.387 -10.569
  173    HA   TRP  25           HA       TRP  25 -12.494  -8.955 -13.476
  174   1HB   TRP  25          HB2       TRP  25 -10.203  -9.275 -13.284
  175   2HB   TRP  25          HB3       TRP  25 -10.584  -8.114 -12.037
  176    HD1  TRP  25           HD1      TRP  25 -10.922  -9.391  -9.515
  177    HE1  TRP  25           HE1      TRP  25  -9.430 -11.158  -8.407
  178    HE3  TRP  25           HE3      TRP  25  -8.510 -11.115 -13.684
  179    HZ2  TRP  25           HZ2      TRP  25  -7.301 -12.940  -9.214
  180    HZ3  TRP  25           HZ3      TRP  25  -6.729 -12.820 -13.478
  181    HH2  TRP  25           HH2      TRP  25  -6.139 -13.767 -11.263
  182    H    ALA  26           H        ALA  26 -11.327 -11.019 -14.387
  183    HA   ALA  26           HA       ALA  26 -11.774 -13.470 -12.934
  184   1HB   ALA  26          HB1       ALA  26 -13.981 -13.178 -14.102
  185   2HB   ALA  26          HB2       ALA  26 -13.117 -13.095 -15.656
  186   3HB   ALA  26          HB3       ALA  26 -13.072 -14.580 -14.676
  187    HA   PRO  27           HA       PRO  27  -7.965 -13.865 -15.045
  188   1HB   PRO  27          HB2       PRO  27  -7.358 -16.528 -14.850
  189   2HB   PRO  27          HB3       PRO  27  -7.465 -15.447 -13.429
  190   1HG   PRO  27          HG2       PRO  27  -9.584 -17.332 -14.499
  191   2HG   PRO  27          HG3       PRO  27  -9.032 -17.118 -12.804
  192   1HD   PRO  27          HD2       PRO  27 -11.278 -15.888 -13.817
  193   2HD   PRO  27          HD3       PRO  27 -10.248 -15.125 -12.561
  194    H    TRP  28           H        TRP  28 -10.686 -15.582 -16.477
  195    HA   TRP  28           HA       TRP  28  -9.182 -16.314 -18.881
  196   1HB   TRP  28          HB2       TRP  28 -11.515 -16.960 -19.662
  197   2HB   TRP  28          HB3       TRP  28 -10.806 -17.843 -18.331
  198    HD1  TRP  28           HD1      TRP  28 -12.837 -14.550 -18.041
  199    HE1  TRP  28           HE1      TRP  28 -14.897 -14.965 -16.606
  200    HE3  TRP  28           HE3      TRP  28 -12.215 -19.563 -17.187
  201    HZ2  TRP  28           HZ2      TRP  28 -16.081 -17.174 -15.145
  202    HZ3  TRP  28           HZ3      TRP  28 -13.812 -20.788 -15.740
  203    HH2  TRP  28           HH2      TRP  28 -15.744 -19.606 -14.713
  204    H    CYS  29           H        CYS  29 -10.359 -13.355 -17.705
  205    HA   CYS  29           HA       CYS  29 -11.280 -12.358 -20.331
  206   1HB   CYS  29          HB2       CYS  29 -12.515 -11.737 -18.263
  207   2HB   CYS  29          HB3       CYS  29 -11.034 -11.011 -17.613
  208    HG   CYS  29           HG       CYS  29 -12.673  -9.132 -18.416
  209    H    GLY  30           H        GLY  30  -9.831 -11.392 -21.698
  210   1HA   GLY  30          HA2       GLY  30  -7.042 -11.195 -21.193
  211   2HA   GLY  30          HA3       GLY  30  -7.922 -10.439 -22.528
  212    HA   PRO  31           HA       PRO  31  -7.761  -6.362 -20.842
  213   1HB   PRO  31          HB2       PRO  31 -10.654  -6.528 -19.996
  214   2HB   PRO  31          HB3       PRO  31  -9.782  -5.140 -20.726
  215   1HG   PRO  31          HG2       PRO  31 -11.268  -6.768 -22.290
  216   2HG   PRO  31          HG3       PRO  31  -9.628  -6.282 -22.835
  217   1HD   PRO  31          HD2       PRO  31 -10.511  -8.892 -21.618
  218   2HD   PRO  31          HD3       PRO  31  -9.337  -8.593 -22.928
  219    H    CYS  32           H        CYS  32  -9.486  -8.515 -18.481
  220    HA   CYS  32           HA       CYS  32  -8.816  -7.076 -16.134
  221   1HB   CYS  32          HB2       CYS  32  -9.127 -10.087 -16.600
  222   2HB   CYS  32          HB3       CYS  32  -8.970  -9.324 -15.022
  223    HG   CYS  32           HG       CYS  32 -11.027  -7.762 -15.190
  224    H    LYS  33           H        LYS  33  -6.815  -9.297 -18.090
  225    HA   LYS  33           HA       LYS  33  -4.648  -9.256 -16.071
  226   1HB   LYS  33          HB2       LYS  33  -4.908 -10.545 -18.819
  227   2HB   LYS  33          HB3       LYS  33  -3.462 -10.644 -17.802
  228   1HG   LYS  33          HG2       LYS  33  -4.713 -11.711 -15.995
  229   2HG   LYS  33          HG3       LYS  33  -6.231 -11.566 -16.881
  230   1HD   LYS  33          HD2       LYS  33  -3.850 -13.235 -17.790
  231   2HD   LYS  33          HD3       LYS  33  -5.281 -13.833 -16.934
  232   1HE   LYS  33          HE2       LYS  33  -6.669 -12.783 -18.845
  233   2HE   LYS  33          HE3       LYS  33  -5.142 -12.643 -19.735
  234   1HZ   LYS  33          HZ1       LYS  33  -4.906 -15.085 -19.438
  235   2HZ   LYS  33          HZ2       LYS  33  -6.380 -15.121 -18.700
  236   3HZ   LYS  33          HZ3       LYS  33  -6.253 -14.704 -20.281
  237    H    MET  34           H        MET  34  -5.477  -7.777 -19.234
  238    HA   MET  34           HA       MET  34  -2.980  -6.518 -19.699
  239   1HB   MET  34          HB2       MET  34  -5.786  -5.586 -20.414
  240   2HB   MET  34          HB3       MET  34  -4.304  -4.875 -21.043
  241   1HG   MET  34          HG2       MET  34  -3.696  -6.874 -22.209
  242   2HG   MET  34          HG3       MET  34  -4.931  -7.822 -21.395
  243   1HE   MET  34          HE1       MET  34  -4.212  -5.045 -24.072
  244   2HE   MET  34          HE2       MET  34  -5.837  -4.677 -24.690
  245   3HE   MET  34          HE3       MET  34  -5.384  -4.180 -23.048
  246    H    ILE  35           H        ILE  35  -5.792  -5.437 -17.700
  247    HA   ILE  35           HA       ILE  35  -4.489  -2.927 -17.099
  248    HB   ILE  35           HB       ILE  35  -6.969  -3.353 -17.269
  249   1HG1  ILE  35          HG12      ILE  35  -5.929  -1.840 -14.847
  250   2HG1  ILE  35          HG13      ILE  35  -6.018  -1.253 -16.507
  251   1HG2  ILE  35          HG21      ILE  35  -8.222  -4.138 -15.368
  252   2HG2  ILE  35          HG22      ILE  35  -7.043  -5.366 -15.802
  253   3HG2  ILE  35          HG23      ILE  35  -6.748  -4.324 -14.395
  254   1HD1  ILE  35          HD11      ILE  35  -7.868  -0.329 -15.300
  255   2HD1  ILE  35          HD12      ILE  35  -8.536  -1.562 -16.389
  256   3HD1  ILE  35          HD13      ILE  35  -8.342  -1.910 -14.657
  257    H    ALA  36           H        ALA  36  -3.965  -6.100 -15.822
  258    HA   ALA  36           HA       ALA  36  -3.636  -5.540 -13.095
  259   1HB   ALA  36          HB1       ALA  36  -2.291  -7.564 -12.978
  260   2HB   ALA  36          HB2       ALA  36  -3.711  -7.816 -14.012
  261   3HB   ALA  36          HB3       ALA  36  -2.105  -7.592 -14.738
  262    HA   PRO  37           HA       PRO  37   0.951  -4.350 -13.680
  263   1HB   PRO  37          HB2       PRO  37   1.805  -3.348 -16.119
  264   2HB   PRO  37          HB3       PRO  37   2.001  -5.043 -15.581
  265   1HG   PRO  37          HG2       PRO  37  -0.183  -3.884 -17.335
  266   2HG   PRO  37          HG3       PRO  37   0.778  -5.376 -17.598
  267   1HD   PRO  37          HD2       PRO  37  -1.687  -5.506 -16.542
  268   2HD   PRO  37          HD3       PRO  37  -0.388  -6.534 -15.887
  269    H    VAL  38           H        VAL  38  -1.633  -2.677 -15.482
  270    HA   VAL  38           HA       VAL  38  -0.671  -0.026 -15.041
  271    HB   VAL  38           HB       VAL  38  -3.569  -0.888 -15.436
  272   1HG1  VAL  38          HG11      VAL  38  -3.154   1.506 -14.895
  273   2HG1  VAL  38          HG12      VAL  38  -2.093   1.600 -16.327
  274   3HG1  VAL  38          HG13      VAL  38  -3.825   1.255 -16.510
  275   1HG2  VAL  38          HG21      VAL  38  -1.421  -0.477 -17.568
  276   2HG2  VAL  38          HG22      VAL  38  -2.296  -1.987 -17.237
  277   3HG2  VAL  38          HG23      VAL  38  -3.165  -0.596 -17.876
  278    H    LEU  39           H        LEU  39  -2.916  -2.209 -13.252
  279    HA   LEU  39           HA       LEU  39  -3.422  -0.399 -11.106
  280   1HB   LEU  39          HB2       LEU  39  -3.506  -3.437 -11.250
  281   2HB   LEU  39          HB3       LEU  39  -4.053  -2.512  -9.859
  282    HG   LEU  39           HG       LEU  39  -5.222  -2.143 -12.650
  283   1HD1  LEU  39          HD11      LEU  39  -6.268  -3.849 -10.356
  284   2HD1  LEU  39          HD12      LEU  39  -7.115  -3.513 -11.883
  285   3HD1  LEU  39          HD13      LEU  39  -5.608  -4.437 -11.907
  286   1HD2  LEU  39          HD21      LEU  39  -5.595  -0.231 -11.108
  287   2HD2  LEU  39          HD22      LEU  39  -7.093  -1.082 -11.488
  288   3HD2  LEU  39          HD23      LEU  39  -6.305  -1.344  -9.919
  289    H    GLU  40           H        GLU  40  -0.797  -2.824 -11.658
  290    HA   GLU  40           HA       GLU  40   0.360  -2.455  -9.069
  291   1HB   GLU  40          HB2       GLU  40   1.559  -3.382 -11.700
  292   2HB   GLU  40          HB3       GLU  40   2.483  -3.275 -10.201
  293   1HG   GLU  40          HG2       GLU  40   0.910  -4.803  -9.077
  294   2HG   GLU  40          HG3       GLU  40  -0.037  -4.950 -10.554
  295    H    GLU  41           H        GLU  41   0.811  -0.595 -12.113
  296    HA   GLU  41           HA       GLU  41   2.853   1.113 -11.047
  297   1HB   GLU  41          HB2       GLU  41   0.816   1.486 -13.271
  298   2HB   GLU  41          HB3       GLU  41   1.944   2.753 -12.793
  299   1HG   GLU  41          HG2       GLU  41   3.859   1.230 -13.216
  300   2HG   GLU  41          HG3       GLU  41   2.751  -0.029 -13.749
  301    H    LEU  42           H        LEU  42  -0.739   1.332 -11.076
  302    HA   LEU  42           HA       LEU  42  -0.844   3.864  -9.823
  303   1HB   LEU  42          HB2       LEU  42  -2.742   2.720 -11.023
  304   2HB   LEU  42          HB3       LEU  42  -2.851   1.571  -9.690
  305    HG   LEU  42           HG       LEU  42  -3.350   3.530  -8.134
  306   1HD1  LEU  42          HD11      LEU  42  -4.171   5.618  -9.181
  307   2HD1  LEU  42          HD12      LEU  42  -2.454   5.389  -9.498
  308   3HD1  LEU  42          HD13      LEU  42  -3.637   5.045 -10.777
  309   1HD2  LEU  42          HD21      LEU  42  -5.114   2.093  -8.871
  310   2HD2  LEU  42          HD22      LEU  42  -5.706   3.755  -9.002
  311   3HD2  LEU  42          HD23      LEU  42  -5.181   2.869 -10.456
  312    H    ASP  43           H        ASP  43  -0.738   0.547  -8.475
  313    HA   ASP  43           HA       ASP  43  -1.099   1.214  -5.738
  314   1HB   ASP  43          HB2       ASP  43  -1.322  -1.065  -6.469
  315   2HB   ASP  43          HB3       ASP  43   0.321  -1.089  -7.115
  316    H    GLN  44           H        GLN  44   1.896   0.886  -7.753
  317    HA   GLN  44           HA       GLN  44   3.716   1.526  -5.669
  318   1HB   GLN  44          HB2       GLN  44   3.771   1.752  -8.687
  319   2HB   GLN  44          HB3       GLN  44   5.152   2.278  -7.712
  320   1HG   GLN  44          HG2       GLN  44   5.491   0.085  -6.794
  321   2HG   GLN  44          HG3       GLN  44   3.960  -0.510  -7.432
  322   1HE2  GLN  44          HE22      GLN  44   3.713  -0.760  -9.742
  323   2HE2  GLN  44          HE21      GLN  44   5.120  -1.045 -10.766
  324    H    GLU  45           H        GLU  45   1.652   3.596  -7.648
  325    HA   GLU  45           HA       GLU  45   3.093   6.023  -6.936
  326   1HB   GLU  45          HB2       GLU  45   2.098   5.525  -9.163
  327   2HB   GLU  45          HB3       GLU  45   0.481   5.621  -8.446
  328   1HG   GLU  45          HG2       GLU  45   0.776   7.975  -7.951
  329   2HG   GLU  45          HG3       GLU  45   2.506   7.895  -8.311
  330    H    MET  46           H        MET  46  -0.005   4.494  -5.972
  331    HA   MET  46           HA       MET  46  -0.456   6.683  -3.974
  332   1HB   MET  46          HB2       MET  46  -2.404   5.415  -5.952
  333   2HB   MET  46          HB3       MET  46  -2.900   6.420  -4.588
  334   1HG   MET  46          HG2       MET  46  -1.534   8.288  -5.458
  335   2HG   MET  46          HG3       MET  46  -1.174   7.329  -6.902
  336   1HE   MET  46          HE1       MET  46  -2.068   9.789  -7.891
  337   2HE   MET  46          HE2       MET  46  -3.775  10.283  -7.817
  338   3HE   MET  46          HE3       MET  46  -2.770  10.339  -6.352
  339    H    GLY  47           H        GLY  47   0.111   3.413  -4.142
  340   1HA   GLY  47          HA2       GLY  47  -2.051   2.216  -2.804
  341   2HA   GLY  47          HA3       GLY  47  -0.462   1.532  -3.035
  342    H    ASP  48           H        ASP  48  -1.446   4.348  -1.128
  343    HA   ASP  48           HA       ASP  48  -1.253   2.963   1.401
  344   1HB   ASP  48          HB2       ASP  48   1.059   3.734   1.247
  345   2HB   ASP  48          HB3       ASP  48   0.528   5.359   0.802
  346    H    LYS  49           H        LYS  49  -1.669   6.101  -0.339
  347    HA   LYS  49           HA       LYS  49  -3.751   7.058   1.424
  348   1HB   LYS  49          HB2       LYS  49  -2.984   7.847  -1.422
  349   2HB   LYS  49          HB3       LYS  49  -4.148   8.704  -0.404
  350   1HG   LYS  49          HG2       LYS  49  -2.363   9.099   1.297
  351   2HG   LYS  49          HG3       LYS  49  -1.177   8.374   0.207
  352   1HD   LYS  49          HD2       LYS  49  -2.849  10.854  -0.394
  353   2HD   LYS  49          HD3       LYS  49  -1.169  10.847   0.161
  354   1HE   LYS  49          HE2       LYS  49  -0.526   9.544  -1.887
  355   2HE   LYS  49          HE3       LYS  49  -2.190   9.686  -2.471
  356   1HZ   LYS  49          HZ1       LYS  49  -1.896  12.108  -2.476
  357   2HZ   LYS  49          HZ2       LYS  49  -0.358  11.958  -1.947
  358   3HZ   LYS  49          HZ3       LYS  49  -0.769  11.396  -3.416
  359    H    LEU  50           H        LEU  50  -3.576   4.776  -1.148
  360    HA   LEU  50           HA       LEU  50  -6.479   4.452  -1.355
  361   1HB   LEU  50          HB2       LEU  50  -5.931   5.571  -3.350
  362   2HB   LEU  50          HB3       LEU  50  -4.346   4.828  -3.450
  363    HG   LEU  50           HG       LEU  50  -5.661   2.590  -3.962
  364   1HD1  LEU  50          HD11      LEU  50  -7.647   4.725  -4.828
  365   2HD1  LEU  50          HD12      LEU  50  -7.709   2.994  -5.223
  366   3HD1  LEU  50          HD13      LEU  50  -7.906   3.518  -3.555
  367   1HD2  LEU  50          HD21      LEU  50  -4.084   3.520  -5.467
  368   2HD2  LEU  50          HD22      LEU  50  -5.549   3.073  -6.347
  369   3HD2  LEU  50          HD23      LEU  50  -5.212   4.779  -5.983
  370    H    LYS  51           H        LYS  51  -7.040   2.244  -1.738
  371    HA   LYS  51           HA       LYS  51  -4.857   0.206  -1.516
  372   1HB   LYS  51          HB2       LYS  51  -6.317   0.395   0.522
  373   2HB   LYS  51          HB3       LYS  51  -7.723   0.076  -0.493
  374   1HG   LYS  51          HG2       LYS  51  -6.705  -2.175  -1.072
  375   2HG   LYS  51          HG3       LYS  51  -5.434  -1.837   0.111
  376   1HD   LYS  51          HD2       LYS  51  -8.439  -2.001   0.654
  377   2HD   LYS  51          HD3       LYS  51  -7.251  -3.258   1.009
  378   1HE   LYS  51          HE2       LYS  51  -6.091  -1.697   2.584
  379   2HE   LYS  51          HE3       LYS  51  -7.349  -0.474   2.290
  380   1HZ   LYS  51          HZ1       LYS  51  -7.907  -3.205   3.314
  381   2HZ   LYS  51          HZ2       LYS  51  -7.732  -1.908   4.296
  382   3HZ   LYS  51          HZ3       LYS  51  -8.964  -1.954   3.199
  383    H    ILE  52           H        ILE  52  -5.321  -1.710  -2.913
  384    HA   ILE  52           HA       ILE  52  -7.469  -1.285  -4.921
  385    HB   ILE  52           HB       ILE  52  -4.720  -2.446  -5.495
  386   1HG1  ILE  52          HG12      ILE  52  -5.899   0.272  -6.209
  387   2HG1  ILE  52          HG13      ILE  52  -4.450  -0.062  -5.258
  388   1HG2  ILE  52          HG21      ILE  52  -6.569  -3.499  -6.788
  389   2HG2  ILE  52          HG22      ILE  52  -7.035  -1.896  -7.400
  390   3HG2  ILE  52          HG23      ILE  52  -5.462  -2.621  -7.817
  391   1HD1  ILE  52          HD11      ILE  52  -3.427  -1.085  -7.349
  392   2HD1  ILE  52          HD12      ILE  52  -4.790  -0.385  -8.249
  393   3HD1  ILE  52          HD13      ILE  52  -3.682   0.672  -7.360
  394    H    VAL  53           H        VAL  53  -8.774  -3.119  -5.082
  395    HA   VAL  53           HA       VAL  53  -7.865  -5.546  -3.591
  396    HB   VAL  53           HB       VAL  53 -10.624  -4.265  -3.430
  397   1HG1  VAL  53          HG11      VAL  53 -10.823  -6.713  -3.376
  398   2HG1  VAL  53          HG12      VAL  53  -9.572  -6.807  -2.116
  399   3HG1  VAL  53          HG13      VAL  53 -11.136  -6.029  -1.780
  400   1HG2  VAL  53          HG21      VAL  53  -8.880  -3.147  -1.987
  401   2HG2  VAL  53          HG22      VAL  53 -10.186  -3.914  -1.073
  402   3HG2  VAL  53          HG23      VAL  53  -8.599  -4.702  -1.191
  403    H    LYS  54           H        LYS  54  -7.628  -7.049  -5.092
  404    HA   LYS  54           HA       LYS  54  -9.238  -7.208  -7.552
  405   1HB   LYS  54          HB2       LYS  54  -6.864  -8.518  -6.344
  406   2HB   LYS  54          HB3       LYS  54  -7.996  -9.702  -6.983
  407   1HG   LYS  54          HG2       LYS  54  -6.257  -9.107  -8.543
  408   2HG   LYS  54          HG3       LYS  54  -7.863  -8.703  -9.185
  409   1HD   LYS  54          HD2       LYS  54  -7.481  -6.333  -8.830
  410   2HD   LYS  54          HD3       LYS  54  -6.050  -6.666  -7.846
  411   1HE   LYS  54          HE2       LYS  54  -5.302  -6.007 -10.042
  412   2HE   LYS  54          HE3       LYS  54  -4.947  -7.729  -9.776
  413   1HZ   LYS  54          HZ1       LYS  54  -7.304  -6.748 -11.307
  414   2HZ   LYS  54          HZ2       LYS  54  -5.905  -7.261 -12.006
  415   3HZ   LYS  54          HZ3       LYS  54  -6.826  -8.302 -11.151
  416    H    ILE  55           H        ILE  55 -11.142  -8.367  -7.749
  417    HA   ILE  55           HA       ILE  55 -11.801 -10.370  -5.688
  418    HB   ILE  55           HB       ILE  55 -12.729  -8.455  -4.733
  419   1HG1  ILE  55          HG12      ILE  55 -15.035  -9.861  -6.122
  420   2HG1  ILE  55          HG13      ILE  55 -14.041 -10.570  -4.839
  421   1HG2  ILE  55          HG21      ILE  55 -12.777  -6.876  -6.633
  422   2HG2  ILE  55          HG22      ILE  55 -14.178  -7.743  -7.296
  423   3HG2  ILE  55          HG23      ILE  55 -14.298  -6.892  -5.755
  424   1HD1  ILE  55          HD11      ILE  55 -15.744  -8.073  -4.506
  425   2HD1  ILE  55          HD12      ILE  55 -16.118  -9.697  -3.919
  426   3HD1  ILE  55          HD13      ILE  55 -14.721  -8.838  -3.263
  427    H    ASP  56           H        ASP  56 -11.989 -12.172  -6.808
  428    HA   ASP  56           HA       ASP  56 -12.446 -12.153  -9.685
  429   1HB   ASP  56          HB2       ASP  56 -10.804 -13.641  -8.676
  430   2HB   ASP  56          HB3       ASP  56 -12.053 -14.407  -7.691
  431    H    VAL  57           H        VAL  57 -14.493 -12.122 -10.542
  432    HA   VAL  57           HA       VAL  57 -16.815 -12.346  -8.907
  433    HB   VAL  57           HB       VAL  57 -18.107 -12.173 -10.945
  434   1HG1  VAL  57          HG11      VAL  57 -17.064 -10.160  -9.941
  435   2HG1  VAL  57          HG12      VAL  57 -15.689 -10.319 -11.052
  436   3HG1  VAL  57          HG13      VAL  57 -17.319 -10.002 -11.683
  437   1HG2  VAL  57          HG21      VAL  57 -15.493 -12.448 -12.486
  438   2HG2  VAL  57          HG22      VAL  57 -16.834 -13.608 -12.488
  439   3HG2  VAL  57          HG23      VAL  57 -17.067 -11.997 -13.169
  440    H    ASP  58           H        ASP  58 -14.946 -14.846 -10.515
  441    HA   ASP  58           HA       ASP  58 -17.106 -16.781 -10.657
  442   1HB   ASP  58          HB2       ASP  58 -15.082 -16.785 -12.132
  443   2HB   ASP  58          HB3       ASP  58 -14.100 -17.217 -10.727
  444    H    GLU  59           H        GLU  59 -15.586 -15.442  -8.014
  445    HA   GLU  59           HA       GLU  59 -16.499 -17.704  -6.308
  446   1HB   GLU  59          HB2       GLU  59 -14.001 -16.000  -5.875
  447   2HB   GLU  59          HB3       GLU  59 -14.677 -17.139  -4.706
  448   1HG   GLU  59          HG2       GLU  59 -14.361 -18.985  -6.385
  449   2HG   GLU  59          HG3       GLU  59 -13.506 -17.840  -7.425
  450    H    ASN  60           H        ASN  60 -17.363 -14.783  -7.358
  451    HA   ASN  60           HA       ASN  60 -18.269 -13.722  -4.732
  452   1HB   ASN  60          HB2       ASN  60 -16.475 -12.248  -6.701
  453   2HB   ASN  60          HB3       ASN  60 -17.450 -11.428  -5.506
  454   1HD2  ASN  60          HD22      ASN  60 -14.576 -13.300  -5.979
  455   2HD2  ASN  60          HD21      ASN  60 -14.048 -13.275  -4.302
  456    H    GLN  61           H        GLN  61 -19.816 -15.060  -6.442
  457    HA   GLN  61           HA       GLN  61 -21.181 -13.600  -8.446
  458   1HB   GLN  61          HB2       GLN  61 -22.483 -15.630  -6.574
  459   2HB   GLN  61          HB3       GLN  61 -22.939 -15.207  -8.202
  460   1HG   GLN  61          HG2       GLN  61 -21.990 -17.365  -8.264
  461   2HG   GLN  61          HG3       GLN  61 -20.855 -16.273  -9.055
  462   1HE2  GLN  61          HE22      GLN  61 -21.017 -16.553  -5.375
  463   2HE2  GLN  61          HE21      GLN  61 -19.497 -17.392  -5.292
  464    H    GLU  62           H        GLU  62 -21.731 -14.014  -4.939
  465    HA   GLU  62           HA       GLU  62 -24.079 -12.470  -4.728
  466   1HB   GLU  62          HB2       GLU  62 -21.922 -13.272  -2.705
  467   2HB   GLU  62          HB3       GLU  62 -23.436 -12.487  -2.275
  468   1HG   GLU  62          HG2       GLU  62 -23.715 -14.797  -1.848
  469   2HG   GLU  62          HG3       GLU  62 -24.719 -14.375  -3.229
  470    H    THR  63           H        THR  63 -20.594 -11.615  -4.067
  471    HA   THR  63           HA       THR  63 -21.188  -9.011  -3.206
  472    HB   THR  63           HB       THR  63 -18.586  -9.242  -4.496
  473    HG1  THR  63           HG1      THR  63 -17.812 -10.985  -3.242
  474   1HG2  THR  63          HG21      THR  63 -19.116  -7.669  -2.709
  475   2HG2  THR  63          HG22      THR  63 -19.425  -9.011  -1.587
  476   3HG2  THR  63          HG23      THR  63 -17.783  -8.736  -2.222
  477    H    ALA  64           H        ALA  64 -20.179 -10.231  -6.483
  478    HA   ALA  64           HA       ALA  64 -20.096  -7.607  -7.589
  479   1HB   ALA  64          HB1       ALA  64 -20.044  -8.773  -9.747
  480   2HB   ALA  64          HB2       ALA  64 -19.074  -9.693  -8.590
  481   3HB   ALA  64          HB3       ALA  64 -20.706 -10.253  -9.013
  482    H    GLY  65           H        GLY  65 -22.725 -10.071  -7.435
  483   1HA   GLY  65          HA2       GLY  65 -24.772  -8.653  -8.735
  484   2HA   GLY  65          HA3       GLY  65 -24.979  -9.866  -7.458
  485    H    LYS  66           H        LYS  66 -23.424  -8.184  -5.478
  486    HA   LYS  66           HA       LYS  66 -25.556  -6.782  -4.269
  487   1HB   LYS  66          HB2       LYS  66 -23.267  -7.706  -3.342
  488   2HB   LYS  66          HB3       LYS  66 -22.641  -6.113  -3.750
  489   1HG   LYS  66          HG2       LYS  66 -24.357  -5.057  -2.299
  490   2HG   LYS  66          HG3       LYS  66 -25.003  -6.654  -1.896
  491   1HD   LYS  66          HD2       LYS  66 -22.192  -5.647  -1.277
  492   2HD   LYS  66          HD3       LYS  66 -23.530  -5.763  -0.124
  493   1HE   LYS  66          HE2       LYS  66 -23.617  -8.243  -0.502
  494   2HE   LYS  66          HE3       LYS  66 -22.233  -8.107  -1.589
  495   1HZ   LYS  66          HZ1       LYS  66 -20.961  -7.228   0.330
  496   2HZ   LYS  66          HZ2       LYS  66 -22.233  -7.558   1.310
  497   3HZ   LYS  66          HZ3       LYS  66 -21.465  -8.777   0.516
  498    H    TYR  67           H        TYR  67 -23.199  -5.743  -6.673
  499    HA   TYR  67           HA       TYR  67 -24.343  -2.986  -6.611
  500   1HB   TYR  67          HB2       TYR  67 -21.718  -3.684  -7.899
  501   2HB   TYR  67          HB3       TYR  67 -22.275  -2.137  -7.281
  502    HD1  TYR  67           HD1      TYR  67 -22.456  -1.888  -4.672
  503    HD2  TYR  67           HD2      TYR  67 -20.481  -5.196  -6.614
  504    HE1  TYR  67           HE1      TYR  67 -21.370  -2.502  -2.529
  505    HE2  TYR  67           HE2      TYR  67 -19.454  -5.857  -4.507
  506    HH   TYR  67           HH       TYR  67 -19.221  -5.359  -2.210
  507    H    GLY  68           H        GLY  68 -25.107  -5.680  -8.126
  508   1HA   GLY  68          HA2       GLY  68 -26.100  -6.180 -10.099
  509   2HA   GLY  68          HA3       GLY  68 -26.068  -4.460 -10.521
  510    H    VAL  69           H        VAL  69 -23.063  -6.188  -9.791
  511    HA   VAL  69           HA       VAL  69 -22.129  -5.789 -12.585
  512    HB   VAL  69           HB       VAL  69 -20.686  -6.372  -9.954
  513   1HG1  VAL  69          HG11      VAL  69 -19.505  -5.844 -12.721
  514   2HG1  VAL  69          HG12      VAL  69 -18.592  -5.927 -11.199
  515   3HG1  VAL  69          HG13      VAL  69 -19.401  -7.367 -11.810
  516   1HG2  VAL  69          HG21      VAL  69 -20.779  -3.860 -11.686
  517   2HG2  VAL  69          HG22      VAL  69 -21.554  -4.057 -10.112
  518   3HG2  VAL  69          HG23      VAL  69 -19.793  -4.081 -10.220
  519    H    MET  70           H        MET  70 -21.846  -7.511 -13.901
  520    HA   MET  70           HA       MET  70 -20.981 -10.029 -12.846
  521   1HB   MET  70          HB2       MET  70 -23.806  -9.788 -13.305
  522   2HB   MET  70          HB3       MET  70 -23.188 -10.803 -14.598
  523   1HG   MET  70          HG2       MET  70 -22.720 -11.181 -11.617
  524   2HG   MET  70          HG3       MET  70 -23.821 -12.126 -12.614
  525   1HE   MET  70          HE1       MET  70 -20.626 -14.343 -11.357
  526   2HE   MET  70          HE2       MET  70 -21.139 -12.830 -10.582
  527   3HE   MET  70          HE3       MET  70 -22.354 -14.040 -11.063
  528    H    SER  71           H        SER  71 -19.951  -7.878 -14.437
  529    HA   SER  71           HA       SER  71 -19.042  -9.326 -16.790
  530   1HB   SER  71          HB2       SER  71 -20.015  -6.431 -16.883
  531   2HB   SER  71          HB3       SER  71 -19.302  -7.344 -18.223
  532    HG   SER  71           HG       SER  71 -21.595  -7.263 -18.327
  533    H    ILE  72           H        ILE  72 -16.883  -8.479 -17.419
  534    HA   ILE  72           HA       ILE  72 -15.555  -6.883 -15.338
  535    HB   ILE  72           HB       ILE  72 -13.904  -8.554 -14.953
  536   1HG1  ILE  72          HG12      ILE  72 -13.848  -9.798 -17.041
  537   2HG1  ILE  72          HG13      ILE  72 -13.872 -10.800 -15.614
  538   1HG2  ILE  72          HG21      ILE  72 -16.630  -9.765 -14.402
  539   2HG2  ILE  72          HG22      ILE  72 -15.116 -10.107 -13.554
  540   3HG2  ILE  72          HG23      ILE  72 -15.839  -8.494 -13.459
  541   1HD1  ILE  72          HD11      ILE  72 -16.210 -10.372 -17.511
  542   2HD1  ILE  72          HD12      ILE  72 -15.204 -11.813 -17.347
  543   3HD1  ILE  72          HD13      ILE  72 -16.269 -11.345 -16.016
  544    HA   PRO  73           HA       PRO  73 -13.121  -6.551 -14.940
  545   1HB   PRO  73          HB2       PRO  73 -11.618  -4.296 -15.406
  546   2HB   PRO  73          HB3       PRO  73 -11.001  -5.954 -15.605
  547   1HG   PRO  73          HG2       PRO  73 -12.010  -4.064 -17.716
  548   2HG   PRO  73          HG3       PRO  73 -10.599  -5.165 -17.788
  549   1HD   PRO  73          HD2       PRO  73 -13.028  -5.757 -18.939
  550   2HD   PRO  73          HD3       PRO  73 -11.956  -7.014 -18.259
  551    H    THR  74           H        THR  74 -14.207  -5.321 -13.471
  552    HA   THR  74           HA       THR  74 -15.478  -2.788 -14.369
  553    HB   THR  74           HB       THR  74 -16.804  -4.988 -12.742
  554    HG1  THR  74           HG1      THR  74 -17.572  -5.452 -14.598
  555   1HG2  THR  74          HG21      THR  74 -17.423  -2.902 -11.706
  556   2HG2  THR  74          HG22      THR  74 -17.631  -2.098 -13.271
  557   3HG2  THR  74          HG23      THR  74 -18.765  -3.366 -12.762
  558    H    LEU  75           H        LEU  75 -14.777  -1.199 -13.181
  559    HA   LEU  75           HA       LEU  75 -13.190  -1.758 -10.729
  560   1HB   LEU  75          HB2       LEU  75 -13.332   0.638 -12.606
  561   2HB   LEU  75          HB3       LEU  75 -12.389   0.592 -11.127
  562    HG   LEU  75           HG       LEU  75 -11.947  -1.243 -13.530
  563   1HD1  LEU  75          HD11      LEU  75 -11.435   1.102 -14.051
  564   2HD1  LEU  75          HD12      LEU  75 -10.408   1.213 -12.606
  565   3HD1  LEU  75          HD13      LEU  75  -9.955   0.140 -13.950
  566   1HD2  LEU  75          HD21      LEU  75 -11.159  -2.298 -11.465
  567   2HD2  LEU  75          HD22      LEU  75  -9.782  -1.775 -12.431
  568   3HD2  LEU  75          HD23      LEU  75 -10.274  -0.829 -11.008
  569    H    LEU  76           H        LEU  76 -13.992  -0.952  -8.815
  570    HA   LEU  76           HA       LEU  76 -16.243   1.019  -8.917
  571   1HB   LEU  76          HB2       LEU  76 -16.029  -1.508  -7.287
  572   2HB   LEU  76          HB3       LEU  76 -16.585  -0.046  -6.485
  573    HG   LEU  76           HG       LEU  76 -18.378   0.237  -8.156
  574   1HD1  LEU  76          HD11      LEU  76 -19.044  -1.689  -9.567
  575   2HD1  LEU  76          HD12      LEU  76 -17.480  -1.047 -10.056
  576   3HD1  LEU  76          HD13      LEU  76 -17.553  -2.545  -9.108
  577   1HD2  LEU  76          HD21      LEU  76 -19.824  -1.489  -7.232
  578   2HD2  LEU  76          HD22      LEU  76 -18.423  -2.454  -6.725
  579   3HD2  LEU  76          HD23      LEU  76 -18.747  -0.883  -5.971
  580    H    VAL  77           H        VAL  77 -15.724   2.839  -7.770
  581    HA   VAL  77           HA       VAL  77 -13.189   2.803  -6.189
  582    HB   VAL  77           HB       VAL  77 -14.830   5.227  -7.010
  583   1HG1  VAL  77          HG11      VAL  77 -13.318   5.495  -5.047
  584   2HG1  VAL  77          HG12      VAL  77 -11.950   4.943  -6.032
  585   3HG1  VAL  77          HG13      VAL  77 -12.781   6.464  -6.425
  586   1HG2  VAL  77          HG21      VAL  77 -13.152   5.708  -8.717
  587   2HG2  VAL  77          HG22      VAL  77 -12.353   4.148  -8.415
  588   3HG2  VAL  77          HG23      VAL  77 -13.993   4.209  -9.098
  589    H    LEU  78           H        LEU  78 -13.591   2.475  -4.092
  590    HA   LEU  78           HA       LEU  78 -16.185   3.382  -2.934
  591   1HB   LEU  78          HB2       LEU  78 -14.381   1.133  -1.928
  592   2HB   LEU  78          HB3       LEU  78 -15.810   1.762  -1.129
  593    HG   LEU  78           HG       LEU  78 -16.940   1.122  -3.519
  594   1HD1  LEU  78          HD11      LEU  78 -14.747  -0.961  -3.136
  595   2HD1  LEU  78          HD12      LEU  78 -16.096  -1.057  -4.286
  596   3HD1  LEU  78          HD13      LEU  78 -14.854   0.186  -4.477
  597   1HD2  LEU  78          HD21      LEU  78 -17.747  -0.949  -2.470
  598   2HD2  LEU  78          HD22      LEU  78 -16.483  -0.833  -1.232
  599   3HD2  LEU  78          HD23      LEU  78 -17.757   0.396  -1.323
  600    H    LYS  79           H        LYS  79 -15.943   4.281  -0.743
  601    HA   LYS  79           HA       LYS  79 -13.201   4.876   0.104
  602   1HB   LYS  79          HB2       LYS  79 -13.914   6.873  -1.225
  603   2HB   LYS  79          HB3       LYS  79 -15.298   7.080  -0.135
  604   1HG   LYS  79          HG2       LYS  79 -13.744   7.390   1.787
  605   2HG   LYS  79          HG3       LYS  79 -12.365   7.084   0.720
  606   1HD   LYS  79          HD2       LYS  79 -13.181   9.086  -0.671
  607   2HD   LYS  79          HD3       LYS  79 -14.288   9.448   0.667
  608   1HE   LYS  79          HE2       LYS  79 -12.350   9.643   2.220
  609   2HE   LYS  79          HE3       LYS  79 -11.256   9.167   0.911
  610   1HZ   LYS  79          HZ1       LYS  79 -12.758  11.694   1.117
  611   2HZ   LYS  79          HZ2       LYS  79 -11.125  11.472   0.926
  612   3HZ   LYS  79          HZ3       LYS  79 -12.106  11.155  -0.302
  613    H    ASP  80           H        ASP  80 -13.057   4.436   2.219
  614    HA   ASP  80           HA       ASP  80 -13.662   3.672   4.245
  615   1HB   ASP  80          HB2       ASP  80 -13.529   6.127   4.411
  616   2HB   ASP  80          HB3       ASP  80 -15.271   6.244   4.162
  617    H    GLY  81           H        GLY  81 -15.228   2.298   2.377
  618   1HA   GLY  81          HA2       GLY  81 -16.553   0.508   3.004
  619   2HA   GLY  81          HA3       GLY  81 -17.458   1.504   4.138
  620    H    GLU  82           H        GLU  82 -17.528   3.422   1.387
  621    HA   GLU  82           HA       GLU  82 -19.890   1.986   0.277
  622   1HB   GLU  82          HB2       GLU  82 -21.162   3.960   0.388
  623   2HB   GLU  82          HB3       GLU  82 -20.402   3.740   1.971
  624   1HG   GLU  82          HG2       GLU  82 -18.707   5.458   1.398
  625   2HG   GLU  82          HG3       GLU  82 -19.484   5.706  -0.168
  626    H    VAL  83           H        VAL  83 -20.397   2.405  -1.916
  627    HA   VAL  83           HA       VAL  83 -18.140   2.885  -3.670
  628    HB   VAL  83           HB       VAL  83 -21.086   2.728  -4.390
  629   1HG1  VAL  83          HG11      VAL  83 -20.196   1.831  -6.538
  630   2HG1  VAL  83          HG12      VAL  83 -19.609   3.463  -6.226
  631   3HG1  VAL  83          HG13      VAL  83 -18.538   2.073  -5.949
  632   1HG2  VAL  83          HG21      VAL  83 -20.731   0.298  -4.795
  633   2HG2  VAL  83          HG22      VAL  83 -19.138   0.415  -4.024
  634   3HG2  VAL  83          HG23      VAL  83 -20.619   0.704  -3.087
  635    H    VAL  84           H        VAL  84 -17.588   4.635  -4.710
  636    HA   VAL  84           HA       VAL  84 -19.271   7.068  -4.577
  637    HB   VAL  84           HB       VAL  84 -17.248   8.423  -4.307
  638   1HG1  VAL  84          HG11      VAL  84 -18.597   7.759  -2.325
  639   2HG1  VAL  84          HG12      VAL  84 -17.503   6.386  -2.055
  640   3HG1  VAL  84          HG13      VAL  84 -16.893   8.047  -1.941
  641   1HG2  VAL  84          HG21      VAL  84 -15.743   5.826  -3.765
  642   2HG2  VAL  84          HG22      VAL  84 -15.537   6.860  -5.200
  643   3HG2  VAL  84          HG23      VAL  84 -15.113   7.472  -3.599
  644    H    GLU  85           H        GLU  85 -17.366   4.854  -6.573
  645    HA   GLU  85           HA       GLU  85 -18.554   6.209  -8.842
  646   1HB   GLU  85          HB2       GLU  85 -15.831   6.933  -8.191
  647   2HB   GLU  85          HB3       GLU  85 -15.782   5.973  -9.654
  648   1HG   GLU  85          HG2       GLU  85 -17.562   8.422  -9.268
  649   2HG   GLU  85          HG3       GLU  85 -15.963   8.448  -9.992
  650    H    THR  86           H        THR  86 -17.952   5.014 -10.953
  651    HA   THR  86           HA       THR  86 -17.027   2.244 -10.610
  652    HB   THR  86           HB       THR  86 -19.809   3.027 -11.575
  653    HG1  THR  86           HG1      THR  86 -18.927   2.517  -9.221
  654   1HG2  THR  86          HG21      THR  86 -19.135   1.198 -12.999
  655   2HG2  THR  86          HG22      THR  86 -18.463   0.296 -11.628
  656   3HG2  THR  86          HG23      THR  86 -20.218   0.547 -11.765
  657    H    SER  87           H        SER  87 -16.325   1.329 -12.620
  658    HA   SER  87           HA       SER  87 -16.712   2.753 -15.143
  659   1HB   SER  87          HB2       SER  87 -13.959   2.360 -13.883
  660   2HB   SER  87          HB3       SER  87 -14.212   2.669 -15.608
  661    HG   SER  87           HG       SER  87 -15.484   4.376 -13.814
  662    H    VAL  88           H        VAL  88 -16.038   1.313 -16.972
  663    HA   VAL  88           HA       VAL  88 -15.645  -1.534 -16.221
  664    HB   VAL  88           HB       VAL  88 -17.661  -0.525 -18.274
  665   1HG1  VAL  88          HG11      VAL  88 -16.756  -2.743 -18.848
  666   2HG1  VAL  88          HG12      VAL  88 -17.109  -3.332 -17.208
  667   3HG1  VAL  88          HG13      VAL  88 -18.428  -2.890 -18.312
  668   1HG2  VAL  88          HG21      VAL  88 -18.182  -1.695 -15.510
  669   2HG2  VAL  88          HG22      VAL  88 -18.557  -0.039 -16.043
  670   3HG2  VAL  88          HG23      VAL  88 -19.420  -1.402 -16.749
  671    H    GLY  89           H        GLY  89 -14.343  -2.642 -17.678
  672   1HA   GLY  89          HA2       GLY  89 -13.095  -3.005 -19.617
  673   2HA   GLY  89          HA3       GLY  89 -13.493  -1.394 -20.212
  674    H    PHE  90           H        PHE  90 -11.024  -1.935 -20.627
  675    HA   PHE  90           HA       PHE  90  -9.100  -1.546 -18.547
  676   1HB   PHE  90          HB2       PHE  90  -8.624  -2.607 -20.720
  677   2HB   PHE  90          HB3       PHE  90  -8.994  -1.109 -21.560
  678    HD1  PHE  90           HD1      PHE  90  -6.468  -2.956 -19.632
  679    HD2  PHE  90           HD2      PHE  90  -7.444   0.839 -21.450
  680    HE1  PHE  90           HE1      PHE  90  -4.083  -2.271 -19.515
  681    HE2  PHE  90           HE2      PHE  90  -5.066   1.524 -21.295
  682    HZ   PHE  90           HZ       PHE  90  -3.382  -0.034 -20.335
  683    H    LYS  91           H        LYS  91  -7.942   0.342 -17.952
  684    HA   LYS  91           HA       LYS  91  -8.501   2.873 -19.265
  685   1HB   LYS  91          HB2       LYS  91  -9.308   2.298 -16.414
  686   2HB   LYS  91          HB3       LYS  91  -8.465   3.821 -16.715
  687   1HG   LYS  91          HG2       LYS  91 -10.094   4.418 -18.463
  688   2HG   LYS  91          HG3       LYS  91 -11.001   2.927 -18.134
  689   1HD   LYS  91          HD2       LYS  91 -11.439   3.678 -15.819
  690   2HD   LYS  91          HD3       LYS  91 -10.488   5.154 -16.111
  691   1HE   LYS  91          HE2       LYS  91 -12.050   5.779 -17.953
  692   2HE   LYS  91          HE3       LYS  91 -13.011   4.334 -17.629
  693   1HZ   LYS  91          HZ1       LYS  91 -12.597   6.549 -15.700
  694   2HZ   LYS  91          HZ2       LYS  91 -13.938   6.316 -16.594
  695   3HZ   LYS  91          HZ3       LYS  91 -13.551   5.229 -15.448
  696    HA   PRO  92           HA       PRO  92  -4.102   2.850 -18.463
  697   1HB   PRO  92          HB2       PRO  92  -3.411   5.402 -19.127
  698   2HB   PRO  92          HB3       PRO  92  -4.003   4.226 -20.344
  699   1HG   PRO  92          HG2       PRO  92  -5.596   6.371 -18.911
  700   2HG   PRO  92          HG3       PRO  92  -5.535   6.028 -20.669
  701   1HD   PRO  92          HD2       PRO  92  -7.509   5.034 -19.054
  702   2HD   PRO  92          HD3       PRO  92  -6.865   4.103 -20.439
  703    H    LYS  93           H        LYS  93  -2.469   3.794 -16.940
  704    HA   LYS  93           HA       LYS  93  -3.559   4.096 -14.370
  705   1HB   LYS  93          HB2       LYS  93  -1.312   3.185 -14.942
  706   2HB   LYS  93          HB3       LYS  93  -0.773   4.783 -15.405
  707   1HG   LYS  93          HG2       LYS  93  -1.866   4.803 -12.659
  708   2HG   LYS  93          HG3       LYS  93  -0.706   3.500 -12.858
  709   1HD   LYS  93          HD2       LYS  93   0.509   5.420 -12.116
  710   2HD   LYS  93          HD3       LYS  93   0.933   5.117 -13.821
  711   1HE   LYS  93          HE2       LYS  93  -0.577   6.897 -14.558
  712   2HE   LYS  93          HE3       LYS  93  -1.161   7.135 -12.900
  713   1HZ   LYS  93          HZ1       LYS  93   0.932   7.993 -12.273
  714   2HZ   LYS  93          HZ2       LYS  93   1.639   7.607 -13.716
  715   3HZ   LYS  93          HZ3       LYS  93   0.472   8.760 -13.677
  716    H    GLU  94           H        GLU  94  -2.537   6.606 -16.717
  717    HA   GLU  94           HA       GLU  94  -2.631   8.776 -14.898
  718   1HB   GLU  94          HB2       GLU  94  -3.023   8.598 -17.901
  719   2HB   GLU  94          HB3       GLU  94  -3.076  10.139 -17.043
  720   1HG   GLU  94          HG2       GLU  94  -0.695   8.238 -16.922
  721   2HG   GLU  94          HG3       GLU  94  -0.848   9.557 -18.075
  722    H    ALA  95           H        ALA  95  -5.258   7.182 -16.720
  723    HA   ALA  95           HA       ALA  95  -7.260   9.114 -15.964
  724   1HB   ALA  95          HB1       ALA  95  -7.517   7.609 -17.916
  725   2HB   ALA  95          HB2       ALA  95  -7.510   6.203 -16.816
  726   3HB   ALA  95          HB3       ALA  95  -8.832   7.384 -16.739
  727    H    LEU  96           H        LEU  96  -6.138   5.944 -14.705
  728    HA   LEU  96           HA       LEU  96  -8.109   5.726 -12.675
  729   1HB   LEU  96          HB2       LEU  96  -5.294   4.563 -12.716
  730   2HB   LEU  96          HB3       LEU  96  -6.592   4.110 -11.611
  731    HG   LEU  96           HG       LEU  96  -6.641   3.677 -14.621
  732   1HD1  LEU  96          HD11      LEU  96  -6.381   1.318 -14.087
  733   2HD1  LEU  96          HD12      LEU  96  -5.035   2.225 -13.387
  734   3HD1  LEU  96          HD13      LEU  96  -6.367   1.676 -12.346
  735   1HD2  LEU  96          HD21      LEU  96  -8.644   2.280 -14.124
  736   2HD2  LEU  96          HD22      LEU  96  -8.639   2.902 -12.459
  737   3HD2  LEU  96          HD23      LEU  96  -8.920   3.997 -13.834
  738    H    GLN  97           H        GLN  97  -4.817   7.208 -12.599
  739    HA   GLN  97           HA       GLN  97  -5.044   7.745  -9.782
  740   1HB   GLN  97          HB2       GLN  97  -3.035   9.012  -9.927
  741   2HB   GLN  97          HB3       GLN  97  -2.876   7.549 -10.875
  742   1HG   GLN  97          HG2       GLN  97  -1.840   9.148 -12.188
  743   2HG   GLN  97          HG3       GLN  97  -3.427   8.959 -12.909
  744   1HE2  GLN  97          HE22      GLN  97  -4.230  10.909 -13.616
  745   2HE2  GLN  97          HE21      GLN  97  -3.938  12.454 -12.838
  746    H    GLU  98           H        GLU  98  -6.063   9.517 -12.701
  747    HA   GLU  98           HA       GLU  98  -6.635  11.966 -11.345
  748   1HB   GLU  98          HB2       GLU  98  -6.465  11.772 -13.816
  749   2HB   GLU  98          HB3       GLU  98  -7.906  10.763 -13.843
  750   1HG   GLU  98          HG2       GLU  98  -8.533  12.993 -14.466
  751   2HG   GLU  98          HG3       GLU  98  -9.240  12.632 -12.898
  752    H    LEU  99           H        LEU  99  -8.549   9.069 -12.189
  753    HA   LEU  99           HA       LEU  99 -11.005   9.812 -11.028
  754   1HB   LEU  99          HB2       LEU  99 -10.740   7.944 -12.571
  755   2HB   LEU  99          HB3       LEU  99  -9.698   7.095 -11.434
  756    HG   LEU  99           HG       LEU  99 -11.558   6.802  -9.868
  757   1HD1  LEU  99          HD11      LEU  99 -13.894   7.274 -10.626
  758   2HD1  LEU  99          HD12      LEU  99 -12.967   8.751 -10.361
  759   3HD1  LEU  99          HD13      LEU  99 -13.247   8.166 -12.017
  760   1HD2  LEU  99          HD21      LEU  99 -11.085   5.081 -11.555
  761   2HD2  LEU  99          HD22      LEU  99 -12.824   5.165 -11.239
  762   3HD2  LEU  99          HD23      LEU  99 -12.162   5.890 -12.715
  763    H    VAL 100           H        VAL 100  -8.200   8.112  -9.518
  764    HA   VAL 100           HA       VAL 100  -9.483   7.860  -6.974
  765    HB   VAL 100           HB       VAL 100  -6.592   7.691  -7.886
  766   1HG1  VAL 100          HG11      VAL 100  -6.463   8.437  -5.566
  767   2HG1  VAL 100          HG12      VAL 100  -7.670   7.230  -5.065
  768   3HG1  VAL 100          HG13      VAL 100  -6.062   6.738  -5.643
  769   1HG2  VAL 100          HG21      VAL 100  -8.186   5.862  -8.556
  770   2HG2  VAL 100          HG22      VAL 100  -6.931   5.289  -7.461
  771   3HG2  VAL 100          HG23      VAL 100  -8.573   5.597  -6.853
  772    H    ASN 101           H        ASN 101  -7.128  10.366  -8.202
  773    HA   ASN 101           HA       ASN 101  -7.084  11.675  -5.694
  774   1HB   ASN 101          HB2       ASN 101  -5.581  13.048  -6.544
  775   2HB   ASN 101          HB3       ASN 101  -5.589  11.964  -7.926
  776   1HD2  ASN 101          HD22      ASN 101  -7.434  12.585  -9.609
  777   2HD2  ASN 101          HD21      ASN 101  -7.414  14.251 -10.086
  778    H    LYS 102           H        LYS 102  -9.401  11.930  -8.288
  779    HA   LYS 102           HA       LYS 102 -10.776  14.241  -7.298
  780   1HB   LYS 102          HB2       LYS 102 -11.603  11.871  -9.014
  781   2HB   LYS 102          HB3       LYS 102 -12.770  13.100  -8.562
  782   1HG   LYS 102          HG2       LYS 102 -10.159  13.782  -9.978
  783   2HG   LYS 102          HG3       LYS 102 -11.655  13.382 -10.828
  784   1HD   LYS 102          HD2       LYS 102 -12.821  15.239  -9.658
  785   2HD   LYS 102          HD3       LYS 102 -11.312  15.716  -8.880
  786   1HE   LYS 102          HE2       LYS 102 -11.719  15.579 -11.903
  787   2HE   LYS 102          HE3       LYS 102 -11.995  17.030 -10.938
  788   1HZ   LYS 102          HZ1       LYS 102  -9.647  16.934 -10.266
  789   2HZ   LYS 102          HZ2       LYS 102  -9.383  15.656 -11.272
  790   3HZ   LYS 102          HZ3       LYS 102  -9.821  17.102 -11.875
  791    H    HIS 103           H        HIS 103 -10.599  11.034  -5.917
  792    HA   HIS 103           HA       HIS 103 -12.864  11.738  -4.104
  793   1HB   HIS 103          HB2       HIS 103 -11.874   9.039  -5.074
  794   2HB   HIS 103          HB3       HIS 103 -12.994   9.245  -3.730
  795    HD1  HIS 103           HD1      HIS 103 -15.391  10.611  -4.424
  796    HD2  HIS 103           HD2      HIS 103 -12.992   8.959  -7.460
  797    HE1  HIS 103           HE1      HIS 103 -16.859  10.460  -6.499
  798    H    LEU 104           H        LEU 104  -9.415  11.263  -4.142
  799    HA   LEU 104           HA       LEU 104  -8.982  10.363  -1.499
  800   1HB   LEU 104          HB2       LEU 104  -7.431  12.395  -3.147
  801   2HB   LEU 104          HB3       LEU 104  -6.914  11.836  -1.566
  802    HG   LEU 104           HG       LEU 104  -7.226  10.069  -4.018
  803   1HD1  LEU 104          HD11      LEU 104  -4.784   9.954  -3.983
  804   2HD1  LEU 104          HD12      LEU 104  -5.300  11.641  -4.111
  805   3HD1  LEU 104          HD13      LEU 104  -4.729  11.012  -2.554
  806   1HD2  LEU 104          HD21      LEU 104  -6.274   9.402  -1.204
  807   2HD2  LEU 104          HD22      LEU 104  -7.651   8.698  -2.070
  808   3HD2  LEU 104          HD23      LEU 104  -6.018   8.360  -2.624
  Start of MODEL    3
    1   1H    MET   1          H1        MET   1   2.301  -0.549   2.238
    2   2H    MET   1          H2        MET   1   1.261   0.682   2.542
    3   3H    MET   1          H3        MET   1   0.689  -0.805   2.166
    4    HA   MET   1           HA       MET   1   0.465   0.658   0.285
    5   1HB   MET   1          HB2       MET   1   2.290   2.169   0.868
    6   2HB   MET   1          HB3       MET   1   3.495   0.924   0.534
    7   1HG   MET   1          HG2       MET   1   2.947   0.954  -1.836
    8   2HG   MET   1          HG3       MET   1   1.555   1.992  -1.546
    9   1HE   MET   1          HE1       MET   1   3.801   4.435  -3.533
   10   2HE   MET   1          HE2       MET   1   3.481   2.709  -3.811
   11   3HE   MET   1          HE3       MET   1   2.161   3.791  -3.311
   12    H    ALA   2           H        ALA   2  -0.415  -1.392  -0.321
   13    HA   ALA   2           HA       ALA   2   1.050  -2.856  -2.307
   14   1HB   ALA   2          HB1       ALA   2   1.962  -4.029  -0.281
   15   2HB   ALA   2          HB2       ALA   2   0.301  -4.296   0.299
   16   3HB   ALA   2          HB3       ALA   2   0.865  -5.075  -1.191
   17    H    ILE   3           H        ILE   3  -0.336  -4.424  -3.295
   18    HA   ILE   3           HA       ILE   3  -3.149  -3.697  -3.362
   19    HB   ILE   3           HB       ILE   3  -1.424  -5.807  -4.740
   20   1HG1  ILE   3          HG12      ILE   3  -2.511  -3.132  -5.733
   21   2HG1  ILE   3          HG13      ILE   3  -0.849  -3.458  -5.276
   22   1HG2  ILE   3          HG21      ILE   3  -3.748  -6.619  -4.761
   23   2HG2  ILE   3          HG22      ILE   3  -4.315  -5.056  -5.389
   24   3HG2  ILE   3          HG23      ILE   3  -3.277  -6.121  -6.366
   25   1HD1  ILE   3          HD11      ILE   3  -0.672  -5.131  -7.081
   26   2HD1  ILE   3          HD12      ILE   3  -2.284  -4.600  -7.668
   27   3HD1  ILE   3          HD13      ILE   3  -0.936  -3.457  -7.609
   28    H    VAL   4           H        VAL   4  -4.867  -5.292  -2.869
   29    HA   VAL   4           HA       VAL   4  -4.167  -7.360  -0.857
   30    HB   VAL   4           HB       VAL   4  -6.320  -5.203  -0.652
   31   1HG1  VAL   4          HG11      VAL   4  -7.099  -7.139   0.573
   32   2HG1  VAL   4          HG12      VAL   4  -5.495  -7.370   1.326
   33   3HG1  VAL   4          HG13      VAL   4  -6.510  -5.975   1.736
   34   1HG2  VAL   4          HG21      VAL   4  -3.672  -5.458   0.832
   35   2HG2  VAL   4          HG22      VAL   4  -4.167  -4.141  -0.256
   36   3HG2  VAL   4          HG23      VAL   4  -4.976  -4.346   1.290
   37    H    LYS   5           H        LYS   5  -6.302  -8.719  -0.509
   38    HA   LYS   5           HA       LYS   5  -7.974  -8.917  -2.919
   39   1HB   LYS   5          HB2       LYS   5  -5.955 -10.371  -3.233
   40   2HB   LYS   5          HB3       LYS   5  -6.405 -11.274  -1.783
   41   1HG   LYS   5          HG2       LYS   5  -8.405 -12.122  -2.800
   42   2HG   LYS   5          HG3       LYS   5  -8.280 -11.012  -4.170
   43   1HD   LYS   5          HD2       LYS   5  -6.222 -13.168  -3.559
   44   2HD   LYS   5          HD3       LYS   5  -7.587 -13.383  -4.669
   45   1HE   LYS   5          HE2       LYS   5  -6.809 -11.556  -6.093
   46   2HE   LYS   5          HE3       LYS   5  -5.508 -11.163  -4.978
   47   1HZ   LYS   5          HZ1       LYS   5  -4.525 -13.341  -5.443
   48   2HZ   LYS   5          HZ2       LYS   5  -5.733 -13.721  -6.474
   49   3HZ   LYS   5          HZ3       LYS   5  -4.704 -12.506  -6.827
   50    H    ALA   6           H        ALA   6  -9.991  -9.889  -2.396
   51    HA   ALA   6           HA       ALA   6 -10.502 -10.780   0.351
   52   1HB   ALA   6          HB1       ALA   6 -12.198  -9.091   0.793
   53   2HB   ALA   6          HB2       ALA   6 -10.676  -8.261   0.446
   54   3HB   ALA   6          HB3       ALA   6 -11.944  -8.346  -0.799
   55    H    THR   7           H        THR   7 -12.955 -11.245   0.546
   56    HA   THR   7           HA       THR   7 -14.232 -11.967  -2.013
   57    HB   THR   7           HB       THR   7 -15.004 -14.099  -0.988
   58    HG1  THR   7           HG1      THR   7 -14.793 -14.260   1.014
   59   1HG2  THR   7          HG21      THR   7 -12.991 -15.399  -1.217
   60   2HG2  THR   7          HG22      THR   7 -12.965 -14.110  -2.435
   61   3HG2  THR   7          HG23      THR   7 -11.963 -13.974  -0.969
   62    H    ASP   8           H        ASP   8 -16.722 -12.443  -1.371
   63    HA   ASP   8           HA       ASP   8 -17.819 -10.095  -0.448
   64   1HB   ASP   8          HB2       ASP   8 -19.017 -12.031  -1.608
   65   2HB   ASP   8          HB3       ASP   8 -19.149 -12.799  -0.035
   66    H    GLN   9           H        GLN   9 -16.756 -12.778   1.501
   67    HA   GLN   9           HA       GLN   9 -18.028 -12.214   3.976
   68   1HB   GLN   9          HB2       GLN   9 -15.440 -13.690   3.282
   69   2HB   GLN   9          HB3       GLN   9 -16.221 -13.717   4.861
   70   1HG   GLN   9          HG2       GLN   9 -16.886 -15.732   3.839
   71   2HG   GLN   9          HG3       GLN   9 -18.294 -14.681   3.777
   72   1HE2  GLN   9          HE22      GLN   9 -19.181 -15.994   1.986
   73   2HE2  GLN   9          HE21      GLN   9 -18.512 -15.849   0.380
   74    H    SER  10           H        SER  10 -15.056 -10.901   2.535
   75    HA   SER  10           HA       SER  10 -14.464  -9.398   5.039
   76   1HB   SER  10          HB2       SER  10 -12.074  -9.864   4.359
   77   2HB   SER  10          HB3       SER  10 -13.028 -11.318   4.729
   78    HG   SER  10           HG       SER  10 -11.864 -11.639   2.845
   79    H    PHE  11           H        PHE  11 -14.955  -9.123   1.645
   80    HA   PHE  11           HA       PHE  11 -13.439  -6.930   0.898
   81   1HB   PHE  11          HB2       PHE  11 -14.845  -8.333  -0.562
   82   2HB   PHE  11          HB3       PHE  11 -16.303  -7.699   0.188
   83    HD1  PHE  11           HD1      PHE  11 -17.111  -5.423  -0.362
   84    HD2  PHE  11           HD2      PHE  11 -13.539  -7.051  -2.156
   85    HE1  PHE  11           HE1      PHE  11 -17.213  -3.709  -2.149
   86    HE2  PHE  11           HE2      PHE  11 -13.662  -5.359  -3.941
   87    HZ   PHE  11           HZ       PHE  11 -15.537  -3.692  -3.963
   88    H    SER  12           H        SER  12 -16.357  -6.990   2.957
   89    HA   SER  12           HA       SER  12 -16.950  -4.208   2.743
   90   1HB   SER  12          HB2       SER  12 -18.227  -4.824   4.946
   91   2HB   SER  12          HB3       SER  12 -18.721  -5.597   3.430
   92    HG   SER  12           HG       SER  12 -18.488  -7.110   5.140
   93    H    ALA  13           H        ALA  13 -15.189  -6.141   5.170
   94    HA   ALA  13           HA       ALA  13 -14.462  -3.965   6.846
   95   1HB   ALA  13          HB1       ALA  13 -12.996  -6.601   6.359
   96   2HB   ALA  13          HB2       ALA  13 -12.726  -5.492   7.717
   97   3HB   ALA  13          HB3       ALA  13 -14.284  -6.325   7.555
   98    H    GLU  14           H        GLU  14 -12.807  -5.488   4.034
   99    HA   GLU  14           HA       GLU  14 -10.469  -3.903   4.253
  100   1HB   GLU  14          HB2       GLU  14 -11.691  -5.443   1.929
  101   2HB   GLU  14          HB3       GLU  14 -10.148  -4.606   1.785
  102   1HG   GLU  14          HG2       GLU  14 -10.788  -6.761   3.828
  103   2HG   GLU  14          HG3       GLU  14  -9.895  -7.011   2.325
  104    H    THR  15           H        THR  15 -13.520  -3.294   2.444
  105    HA   THR  15           HA       THR  15 -12.376  -0.984   1.167
  106    HB   THR  15           HB       THR  15 -14.744  -0.641   0.373
  107    HG1  THR  15           HG1      THR  15 -15.120  -3.242   1.412
  108   1HG2  THR  15          HG21      THR  15 -13.192  -1.720  -1.081
  109   2HG2  THR  15          HG22      THR  15 -13.219  -3.234  -0.156
  110   3HG2  THR  15          HG23      THR  15 -14.629  -2.731  -1.091
  111    H    SER  16           H        SER  16 -13.141  -1.364   4.341
  112    HA   SER  16           HA       SER  16 -14.448   1.281   4.637
  113   1HB   SER  16          HB2       SER  16 -14.352  -1.099   6.523
  114   2HB   SER  16          HB3       SER  16 -15.173   0.442   6.836
  115    HG   SER  16           HG       SER  16 -15.785  -1.570   4.968
  116    H    GLU  17           H        GLU  17 -11.605   1.034   4.124
  117    HA   GLU  17           HA       GLU  17 -10.622   2.369   6.614
  118   1HB   GLU  17          HB2       GLU  17  -9.085   0.399   4.877
  119   2HB   GLU  17          HB3       GLU  17  -8.434   1.284   6.265
  120   1HG   GLU  17          HG2       GLU  17 -10.196   0.176   7.703
  121   2HG   GLU  17          HG3       GLU  17 -10.576  -0.864   6.321
  122    H    GLY  18           H        GLY  18 -11.296   3.013   3.395
  123   1HA   GLY  18          HA2       GLY  18  -9.966   5.446   3.233
  124   2HA   GLY  18          HA3       GLY  18  -8.820   4.221   2.603
  125    H    VAL  19           H        VAL  19  -9.135   5.611   0.592
  126    HA   VAL  19           HA       VAL  19 -11.556   4.983  -0.972
  127    HB   VAL  19           HB       VAL  19  -8.881   6.253  -1.727
  128   1HG1  VAL  19          HG11      VAL  19  -9.752   5.049  -3.691
  129   2HG1  VAL  19          HG12      VAL  19 -11.358   5.774  -3.456
  130   3HG1  VAL  19          HG13      VAL  19  -9.970   6.788  -3.911
  131   1HG2  VAL  19          HG21      VAL  19 -10.359   7.732  -0.394
  132   2HG2  VAL  19          HG22      VAL  19 -10.270   8.289  -2.072
  133   3HG2  VAL  19          HG23      VAL  19 -11.700   7.410  -1.522
  134    H    VAL  20           H        VAL  20 -11.762   3.041  -1.999
  135    HA   VAL  20           HA       VAL  20  -9.363   1.314  -2.187
  136    HB   VAL  20           HB       VAL  20 -12.065   0.406  -1.147
  137   1HG1  VAL  20          HG11      VAL  20  -9.386  -1.014  -1.482
  138   2HG1  VAL  20          HG12      VAL  20 -10.789  -1.690  -0.630
  139   3HG1  VAL  20          HG13      VAL  20 -10.884  -1.362  -2.364
  140   1HG2  VAL  20          HG21      VAL  20 -10.500  -0.025   0.968
  141   2HG2  VAL  20          HG22      VAL  20  -9.530   1.269   0.271
  142   3HG2  VAL  20          HG23      VAL  20 -11.230   1.554   0.688
  143    H    LEU  21           H        LEU  21  -9.062   0.614  -4.131
  144    HA   LEU  21           HA       LEU  21 -11.143   0.981  -6.202
  145   1HB   LEU  21          HB2       LEU  21  -8.833   2.006  -6.384
  146   2HB   LEU  21          HB3       LEU  21  -8.133   0.399  -6.384
  147    HG   LEU  21           HG       LEU  21  -8.194   1.422  -8.586
  148   1HD1  LEU  21          HD11      LEU  21  -8.959  -0.378  -9.887
  149   2HD1  LEU  21          HD12      LEU  21  -8.407  -1.081  -8.367
  150   3HD1  LEU  21          HD13      LEU  21 -10.149  -0.898  -8.676
  151   1HD2  LEU  21          HD21      LEU  21 -11.232   1.319  -8.477
  152   2HD2  LEU  21          HD22      LEU  21 -10.248   2.790  -8.287
  153   3HD2  LEU  21          HD23      LEU  21 -10.215   1.897  -9.812
  154    H    ALA  22           H        ALA  22 -12.383  -0.806  -6.364
  155    HA   ALA  22           HA       ALA  22 -11.307  -3.482  -5.641
  156   1HB   ALA  22          HB1       ALA  22 -13.289  -2.920  -4.457
  157   2HB   ALA  22          HB2       ALA  22 -14.091  -2.313  -5.917
  158   3HB   ALA  22          HB3       ALA  22 -13.777  -4.050  -5.755
  159    H    ASP  23           H        ASP  23 -10.332  -4.338  -7.374
  160    HA   ASP  23           HA       ASP  23 -11.327  -3.923 -10.136
  161   1HB   ASP  23          HB2       ASP  23  -8.955  -3.817  -9.916
  162   2HB   ASP  23          HB3       ASP  23  -8.904  -5.288  -8.942
  163    H    PHE  24           H        PHE  24 -13.236  -4.977 -10.252
  164    HA   PHE  24           HA       PHE  24 -13.565  -7.768  -9.419
  165   1HB   PHE  24          HB2       PHE  24 -15.344  -5.733 -10.783
  166   2HB   PHE  24          HB3       PHE  24 -15.729  -7.438 -10.790
  167    HD1  PHE  24           HD1      PHE  24 -16.134  -8.690  -8.661
  168    HD2  PHE  24           HD2      PHE  24 -15.549  -4.419  -8.698
  169    HE1  PHE  24           HE1      PHE  24 -17.086  -8.549  -6.390
  170    HE2  PHE  24           HE2      PHE  24 -16.482  -4.287  -6.393
  171    HZ   PHE  24           HZ       PHE  24 -17.237  -6.345  -5.235
  172    H    TRP  25           H        TRP  25 -12.677  -9.334 -10.627
  173    HA   TRP  25           HA       TRP  25 -12.287  -8.911 -13.546
  174   1HB   TRP  25          HB2       TRP  25  -9.999  -9.351 -13.451
  175   2HB   TRP  25          HB3       TRP  25 -10.288  -8.133 -12.237
  176    HD1  TRP  25           HD1      TRP  25 -10.550  -9.297  -9.638
  177    HE1  TRP  25           HE1      TRP  25  -9.117 -11.116  -8.547
  178    HE3  TRP  25           HE3      TRP  25  -8.391 -11.242 -13.852
  179    HZ2  TRP  25           HZ2      TRP  25  -7.114 -13.032  -9.385
  180    HZ3  TRP  25           HZ3      TRP  25  -6.685 -13.026 -13.668
  181    HH2  TRP  25           HH2      TRP  25  -6.060 -13.951 -11.452
  182    H    ALA  26           H        ALA  26 -11.187 -11.016 -14.472
  183    HA   ALA  26           HA       ALA  26 -11.656 -13.455 -13.021
  184   1HB   ALA  26          HB1       ALA  26 -13.116 -13.027 -15.672
  185   2HB   ALA  26          HB2       ALA  26 -13.056 -14.527 -14.720
  186   3HB   ALA  26          HB3       ALA  26 -13.906 -13.114 -14.079
  187    HA   PRO  27           HA       PRO  27  -7.951 -13.954 -15.291
  188   1HB   PRO  27          HB2       PRO  27  -7.407 -16.630 -15.113
  189   2HB   PRO  27          HB3       PRO  27  -7.443 -15.553 -13.685
  190   1HG   PRO  27          HG2       PRO  27  -9.650 -17.369 -14.704
  191   2HG   PRO  27          HG3       PRO  27  -9.033 -17.199 -13.027
  192   1HD   PRO  27          HD2       PRO  27 -11.271 -15.882 -13.928
  193   2HD   PRO  27          HD3       PRO  27 -10.156 -15.159 -12.719
  194    H    TRP  28           H        TRP  28 -10.767 -15.633 -16.588
  195    HA   TRP  28           HA       TRP  28  -9.402 -16.475 -19.022
  196   1HB   TRP  28          HB2       TRP  28 -11.766 -17.014 -19.731
  197   2HB   TRP  28          HB3       TRP  28 -11.120 -17.865 -18.349
  198    HD1  TRP  28           HD1      TRP  28 -12.835 -14.405 -18.109
  199    HE1  TRP  28           HE1      TRP  28 -14.961 -14.616 -16.725
  200    HE3  TRP  28           HE3      TRP  28 -12.783 -19.468 -17.331
  201    HZ2  TRP  28           HZ2      TRP  28 -16.417 -16.705 -15.339
  202    HZ3  TRP  28           HZ3      TRP  28 -14.542 -20.536 -15.950
  203    HH2  TRP  28           HH2      TRP  28 -16.361 -19.166 -14.947
  204    H    CYS  29           H        CYS  29 -10.299 -13.412 -17.910
  205    HA   CYS  29           HA       CYS  29 -11.202 -12.437 -20.557
  206   1HB   CYS  29          HB2       CYS  29 -12.502 -11.800 -18.566
  207   2HB   CYS  29          HB3       CYS  29 -11.053 -11.088 -17.835
  208    HG   CYS  29           HG       CYS  29 -12.906  -9.333 -18.917
  209    H    GLY  30           H        GLY  30  -9.616 -11.747 -21.912
  210   1HA   GLY  30          HA2       GLY  30  -6.877 -11.459 -21.332
  211   2HA   GLY  30          HA3       GLY  30  -7.719 -10.758 -22.720
  212    HA   PRO  31           HA       PRO  31  -7.613  -6.619 -21.176
  213   1HB   PRO  31          HB2       PRO  31 -10.524  -6.764 -20.385
  214   2HB   PRO  31          HB3       PRO  31  -9.640  -5.402 -21.147
  215   1HG   PRO  31          HG2       PRO  31 -11.089  -7.090 -22.680
  216   2HG   PRO  31          HG3       PRO  31  -9.440  -6.620 -23.209
  217   1HD   PRO  31          HD2       PRO  31 -10.340  -9.185 -21.911
  218   2HD   PRO  31          HD3       PRO  31  -9.144  -8.932 -23.212
  219    H    CYS  32           H        CYS  32  -9.244  -8.770 -18.764
  220    HA   CYS  32           HA       CYS  32  -8.636  -7.168 -16.461
  221   1HB   CYS  32          HB2       CYS  32  -8.917 -10.200 -16.755
  222   2HB   CYS  32          HB3       CYS  32  -8.715  -9.346 -15.228
  223    HG   CYS  32           HG       CYS  32 -11.076  -8.810 -17.489
  224    H    LYS  33           H        LYS  33  -6.736  -9.679 -18.201
  225    HA   LYS  33           HA       LYS  33  -4.509  -9.502 -16.319
  226   1HB   LYS  33          HB2       LYS  33  -4.800 -10.776 -19.071
  227   2HB   LYS  33          HB3       LYS  33  -3.345 -10.891 -18.071
  228   1HG   LYS  33          HG2       LYS  33  -4.552 -11.982 -16.268
  229   2HG   LYS  33          HG3       LYS  33  -6.101 -11.777 -17.083
  230   1HD   LYS  33          HD2       LYS  33  -3.821 -13.508 -18.117
  231   2HD   LYS  33          HD3       LYS  33  -5.239 -14.067 -17.215
  232   1HE   LYS  33          HE2       LYS  33  -6.654 -12.914 -19.058
  233   2HE   LYS  33          HE3       LYS  33  -5.155 -12.850 -20.003
  234   1HZ   LYS  33          HZ1       LYS  33  -5.044 -15.307 -19.721
  235   2HZ   LYS  33          HZ2       LYS  33  -6.501 -15.262 -18.949
  236   3HZ   LYS  33          HZ3       LYS  33  -6.384 -14.842 -20.529
  237    H    MET  34           H        MET  34  -5.413  -7.909 -19.383
  238    HA   MET  34           HA       MET  34  -2.892  -6.638 -19.809
  239   1HB   MET  34          HB2       MET  34  -5.684  -5.741 -20.621
  240   2HB   MET  34          HB3       MET  34  -4.183  -5.036 -21.214
  241   1HG   MET  34          HG2       MET  34  -3.515  -7.096 -22.271
  242   2HG   MET  34          HG3       MET  34  -4.853  -7.977 -21.543
  243   1HE   MET  34          HE1       MET  34  -5.882  -8.137 -25.270
  244   2HE   MET  34          HE2       MET  34  -4.251  -8.272 -24.577
  245   3HE   MET  34          HE3       MET  34  -5.631  -9.041 -23.760
  246    H    ILE  35           H        ILE  35  -5.815  -5.561 -17.926
  247    HA   ILE  35           HA       ILE  35  -4.504  -3.057 -17.302
  248    HB   ILE  35           HB       ILE  35  -6.978  -3.391 -17.569
  249   1HG1  ILE  35          HG12      ILE  35  -5.980  -1.935 -15.092
  250   2HG1  ILE  35          HG13      ILE  35  -5.976  -1.333 -16.750
  251   1HG2  ILE  35          HG21      ILE  35  -7.240  -5.389 -16.138
  252   2HG2  ILE  35          HG22      ILE  35  -6.906  -4.404 -14.699
  253   3HG2  ILE  35          HG23      ILE  35  -8.342  -4.100 -15.698
  254   1HD1  ILE  35          HD11      ILE  35  -8.385  -1.888 -14.985
  255   2HD1  ILE  35          HD12      ILE  35  -7.830  -0.333 -15.633
  256   3HD1  ILE  35          HD13      ILE  35  -8.515  -1.553 -16.724
  257    H    ALA  36           H        ALA  36  -4.335  -6.238 -15.857
  258    HA   ALA  36           HA       ALA  36  -3.907  -5.647 -13.202
  259   1HB   ALA  36          HB1       ALA  36  -4.044  -7.921 -14.058
  260   2HB   ALA  36          HB2       ALA  36  -2.452  -7.765 -14.826
  261   3HB   ALA  36          HB3       ALA  36  -2.594  -7.710 -13.060
  262    HA   PRO  37           HA       PRO  37   0.724  -4.589 -13.679
  263   1HB   PRO  37          HB2       PRO  37   1.688  -3.681 -16.113
  264   2HB   PRO  37          HB3       PRO  37   1.804  -5.371 -15.533
  265   1HG   PRO  37          HG2       PRO  37  -0.285  -4.170 -17.373
  266   2HG   PRO  37          HG3       PRO  37   0.630  -5.699 -17.583
  267   1HD   PRO  37          HD2       PRO  37  -1.867  -5.728 -16.589
  268   2HD   PRO  37          HD3       PRO  37  -0.619  -6.783 -15.882
  269    H    VAL  38           H        VAL  38  -1.772  -2.863 -15.574
  270    HA   VAL  38           HA       VAL  38  -0.703  -0.250 -15.084
  271    HB   VAL  38           HB       VAL  38  -3.611  -0.954 -15.648
  272   1HG1  VAL  38          HG11      VAL  38  -3.638   1.250 -16.718
  273   2HG1  VAL  38          HG12      VAL  38  -3.170   1.390 -15.021
  274   3HG1  VAL  38          HG13      VAL  38  -1.930   1.492 -16.299
  275   1HG2  VAL  38          HG21      VAL  38  -3.062  -0.624 -18.055
  276   2HG2  VAL  38          HG22      VAL  38  -1.333  -0.594 -17.651
  277   3HG2  VAL  38          HG23      VAL  38  -2.293  -2.070 -17.405
  278    H    LEU  39           H        LEU  39  -2.993  -2.433 -13.353
  279    HA   LEU  39           HA       LEU  39  -3.534  -0.583 -11.239
  280   1HB   LEU  39          HB2       LEU  39  -3.654  -3.620 -11.287
  281   2HB   LEU  39          HB3       LEU  39  -4.234  -2.621  -9.964
  282    HG   LEU  39           HG       LEU  39  -5.319  -2.504 -12.814
  283   1HD1  LEU  39          HD11      LEU  39  -5.819  -4.643 -11.740
  284   2HD1  LEU  39          HD12      LEU  39  -6.474  -3.800 -10.316
  285   3HD1  LEU  39          HD13      LEU  39  -7.279  -3.661 -11.899
  286   1HD2  LEU  39          HD21      LEU  39  -5.660  -0.362 -11.680
  287   2HD2  LEU  39          HD22      LEU  39  -7.191  -1.227 -11.797
  288   3HD2  LEU  39          HD23      LEU  39  -6.319  -1.191 -10.248
  289    H    GLU  40           H        GLU  40  -0.909  -3.024 -11.726
  290    HA   GLU  40           HA       GLU  40   0.269  -2.548  -9.162
  291   1HB   GLU  40          HB2       GLU  40   1.546  -3.436 -11.773
  292   2HB   GLU  40          HB3       GLU  40   2.402  -3.325 -10.235
  293   1HG   GLU  40          HG2       GLU  40   0.790  -4.911  -9.211
  294   2HG   GLU  40          HG3       GLU  40  -0.036  -5.075 -10.758
  295    H    GLU  41           H        GLU  41   0.643  -0.765 -12.257
  296    HA   GLU  41           HA       GLU  41   2.548   1.101 -11.202
  297   1HB   GLU  41          HB2       GLU  41   0.607   1.273 -13.531
  298   2HB   GLU  41          HB3       GLU  41   1.704   2.584 -13.082
  299   1HG   GLU  41          HG2       GLU  41   3.645   1.062 -13.318
  300   2HG   GLU  41          HG3       GLU  41   2.576  -0.237 -13.834
  301    H    LEU  42           H        LEU  42  -1.045   1.035 -11.205
  302    HA   LEU  42           HA       LEU  42  -1.346   3.612 -10.056
  303   1HB   LEU  42          HB2       LEU  42  -3.171   2.334 -11.175
  304   2HB   LEU  42          HB3       LEU  42  -3.171   1.195  -9.827
  305    HG   LEU  42           HG       LEU  42  -3.797   3.054  -8.270
  306   1HD1  LEU  42          HD11      LEU  42  -4.713   5.160  -9.277
  307   2HD1  LEU  42          HD12      LEU  42  -2.963   5.020  -9.432
  308   3HD1  LEU  42          HD13      LEU  42  -3.996   4.694 -10.837
  309   1HD2  LEU  42          HD21      LEU  42  -5.622   2.536 -10.638
  310   2HD2  LEU  42          HD22      LEU  42  -5.497   1.577  -9.156
  311   3HD2  LEU  42          HD23      LEU  42  -6.144   3.222  -9.078
  312    H    ASP  43           H        ASP  43  -0.846   0.377  -8.569
  313    HA   ASP  43           HA       ASP  43  -1.164   1.236  -5.863
  314   1HB   ASP  43          HB2       ASP  43  -1.200  -1.111  -6.407
  315   2HB   ASP  43          HB3       ASP  43   0.432  -1.044  -7.075
  316    H    GLN  44           H        GLN  44   1.709   1.063  -8.044
  317    HA   GLN  44           HA       GLN  44   3.551   2.087  -6.130
  318   1HB   GLN  44          HB2       GLN  44   3.471   2.046  -9.155
  319   2HB   GLN  44          HB3       GLN  44   4.834   2.750  -8.275
  320   1HG   GLN  44          HG2       GLN  44   5.395   0.672  -7.232
  321   2HG   GLN  44          HG3       GLN  44   3.877  -0.083  -7.705
  322   1HE2  GLN  44          HE22      GLN  44   3.521  -0.676  -9.905
  323   2HE2  GLN  44          HE21      GLN  44   4.870  -0.922 -11.012
  324    H    GLU  45           H        GLU  45   1.212   3.740  -8.209
  325    HA   GLU  45           HA       GLU  45   2.352   6.372  -7.760
  326   1HB   GLU  45          HB2       GLU  45   1.221   5.584  -9.854
  327   2HB   GLU  45          HB3       GLU  45  -0.303   5.497  -8.975
  328   1HG   GLU  45          HG2       GLU  45  -0.342   7.499 -10.215
  329   2HG   GLU  45          HG3       GLU  45  -0.109   7.994  -8.548
  330    H    MET  46           H        MET  46  -0.497   4.580  -6.531
  331    HA   MET  46           HA       MET  46  -1.136   6.820  -4.657
  332   1HB   MET  46          HB2       MET  46  -2.872   5.251  -6.596
  333   2HB   MET  46          HB3       MET  46  -3.574   6.026  -5.183
  334   1HG   MET  46          HG2       MET  46  -1.942   7.530  -7.238
  335   2HG   MET  46          HG3       MET  46  -3.700   7.383  -7.260
  336   1HE   MET  46          HE1       MET  46  -2.074  10.164  -7.286
  337   2HE   MET  46          HE2       MET  46  -3.848  10.046  -7.387
  338   3HE   MET  46          HE3       MET  46  -3.091  11.128  -6.192
  339    H    GLY  47           H        GLY  47  -0.208   3.543  -4.599
  340   1HA   GLY  47          HA2       GLY  47  -2.043   2.395  -2.786
  341   2HA   GLY  47          HA3       GLY  47  -0.358   1.944  -3.003
  342    H    ASP  48           H        ASP  48  -0.065   5.016  -2.213
  343    HA   ASP  48           HA       ASP  48   0.498   4.649   0.619
  344   1HB   ASP  48          HB2       ASP  48   2.076   5.901  -0.742
  345   2HB   ASP  48          HB3       ASP  48   0.796   6.951  -1.343
  346    H    LYS  49           H        LYS  49  -2.081   5.855  -1.381
  347    HA   LYS  49           HA       LYS  49  -3.454   7.153   0.887
  348   1HB   LYS  49          HB2       LYS  49  -3.361   8.034  -2.031
  349   2HB   LYS  49          HB3       LYS  49  -4.261   8.836  -0.738
  350   1HG   LYS  49          HG2       LYS  49  -2.166   9.399   0.425
  351   2HG   LYS  49          HG3       LYS  49  -1.232   8.540  -0.818
  352   1HD   LYS  49          HD2       LYS  49  -1.970  10.105  -2.545
  353   2HD   LYS  49          HD3       LYS  49  -2.996  10.943  -1.376
  354   1HE   LYS  49          HE2       LYS  49  -0.936  12.187  -1.759
  355   2HE   LYS  49          HE3       LYS  49  -1.065  11.659  -0.078
  356   1HZ   LYS  49          HZ1       LYS  49   0.603  10.323  -2.132
  357   2HZ   LYS  49          HZ2       LYS  49   1.156  11.341  -0.988
  358   3HZ   LYS  49          HZ3       LYS  49   0.533   9.904  -0.536
  359    H    LEU  50           H        LEU  50  -3.559   4.701  -1.447
  360    HA   LEU  50           HA       LEU  50  -6.447   4.353  -1.149
  361   1HB   LEU  50          HB2       LEU  50  -6.834   4.872  -3.249
  362   2HB   LEU  50          HB3       LEU  50  -5.152   5.178  -3.580
  363    HG   LEU  50           HG       LEU  50  -6.488   2.453  -3.907
  364   1HD1  LEU  50          HD11      LEU  50  -7.401   4.152  -5.423
  365   2HD1  LEU  50          HD12      LEU  50  -5.748   4.458  -6.033
  366   3HD1  LEU  50          HD13      LEU  50  -6.511   2.876  -6.265
  367   1HD2  LEU  50          HD21      LEU  50  -4.497   2.008  -5.409
  368   2HD2  LEU  50          HD22      LEU  50  -3.763   3.489  -4.807
  369   3HD2  LEU  50          HD23      LEU  50  -4.056   2.123  -3.713
  370    H    LYS  51           H        LYS  51  -7.074   2.093  -1.696
  371    HA   LYS  51           HA       LYS  51  -4.858   0.106  -1.350
  372   1HB   LYS  51          HB2       LYS  51  -6.271   0.354   0.696
  373   2HB   LYS  51          HB3       LYS  51  -7.711   0.037  -0.274
  374   1HG   LYS  51          HG2       LYS  51  -6.714  -2.245  -0.833
  375   2HG   LYS  51          HG3       LYS  51  -5.452  -1.899   0.358
  376   1HD   LYS  51          HD2       LYS  51  -8.464  -2.040   0.862
  377   2HD   LYS  51          HD3       LYS  51  -7.273  -3.269   1.295
  378   1HE   LYS  51          HE2       LYS  51  -6.159  -1.612   2.820
  379   2HE   LYS  51          HE3       LYS  51  -7.440  -0.434   2.457
  380   1HZ   LYS  51          HZ1       LYS  51  -9.035  -1.909   3.404
  381   2HZ   LYS  51          HZ2       LYS  51  -7.956  -3.132   3.584
  382   3HZ   LYS  51          HZ3       LYS  51  -7.824  -1.791   4.516
  383    H    ILE  52           H        ILE  52  -5.042  -1.648  -2.867
  384    HA   ILE  52           HA       ILE  52  -7.316  -1.462  -4.798
  385    HB   ILE  52           HB       ILE  52  -4.562  -2.662  -5.245
  386   1HG1  ILE  52          HG12      ILE  52  -5.858  -0.073  -6.168
  387   2HG1  ILE  52          HG13      ILE  52  -4.355  -0.297  -5.269
  388   1HG2  ILE  52          HG21      ILE  52  -5.298  -3.101  -7.555
  389   2HG2  ILE  52          HG22      ILE  52  -6.337  -3.936  -6.425
  390   3HG2  ILE  52          HG23      ILE  52  -6.907  -2.436  -7.181
  391   1HD1  ILE  52          HD11      ILE  52  -3.767   0.346  -7.470
  392   2HD1  ILE  52          HD12      ILE  52  -3.375  -1.381  -7.329
  393   3HD1  ILE  52          HD13      ILE  52  -4.836  -0.856  -8.205
  394    H    VAL  53           H        VAL  53  -8.620  -3.284  -4.852
  395    HA   VAL  53           HA       VAL  53  -7.713  -5.688  -3.331
  396    HB   VAL  53           HB       VAL  53 -10.496  -4.428  -3.278
  397   1HG1  VAL  53          HG11      VAL  53 -11.089  -6.226  -1.701
  398   2HG1  VAL  53          HG12      VAL  53 -10.688  -6.868  -3.296
  399   3HG1  VAL  53          HG13      VAL  53  -9.506  -6.991  -1.969
  400   1HG2  VAL  53          HG21      VAL  53  -8.860  -3.311  -1.739
  401   2HG2  VAL  53          HG22      VAL  53 -10.163  -4.141  -0.880
  402   3HG2  VAL  53          HG23      VAL  53  -8.551  -4.879  -0.972
  403    H    LYS  54           H        LYS  54  -7.454  -7.218  -4.789
  404    HA   LYS  54           HA       LYS  54  -8.928  -7.227  -7.351
  405   1HB   LYS  54          HB2       LYS  54  -7.288  -9.470  -6.106
  406   2HB   LYS  54          HB3       LYS  54  -7.672  -9.244  -7.808
  407   1HG   LYS  54          HG2       LYS  54  -5.763  -7.594  -6.102
  408   2HG   LYS  54          HG3       LYS  54  -5.303  -8.756  -7.317
  409   1HD   LYS  54          HD2       LYS  54  -7.005  -6.421  -8.231
  410   2HD   LYS  54          HD3       LYS  54  -5.366  -6.097  -7.720
  411   1HE   LYS  54          HE2       LYS  54  -5.233  -6.403 -10.031
  412   2HE   LYS  54          HE3       LYS  54  -4.509  -7.838  -9.295
  413   1HZ   LYS  54          HZ1       LYS  54  -7.212  -7.642 -10.504
  414   2HZ   LYS  54          HZ2       LYS  54  -5.936  -8.446 -11.123
  415   3HZ   LYS  54          HZ3       LYS  54  -6.638  -9.002  -9.757
  416    H    ILE  55           H        ILE  55 -10.842  -8.452  -7.687
  417    HA   ILE  55           HA       ILE  55 -11.508 -10.553  -5.744
  418    HB   ILE  55           HB       ILE  55 -12.421  -8.709  -4.614
  419   1HG1  ILE  55          HG12      ILE  55 -14.781  -9.944  -6.070
  420   2HG1  ILE  55          HG13      ILE  55 -13.779 -10.805  -4.894
  421   1HG2  ILE  55          HG21      ILE  55 -14.050  -7.092  -5.590
  422   2HG2  ILE  55          HG22      ILE  55 -12.441  -6.956  -6.289
  423   3HG2  ILE  55          HG23      ILE  55 -13.728  -7.777  -7.186
  424   1HD1  ILE  55          HD11      ILE  55 -14.345  -9.168  -3.144
  425   2HD1  ILE  55          HD12      ILE  55 -15.411  -8.311  -4.284
  426   3HD1  ILE  55          HD13      ILE  55 -15.780  -9.968  -3.799
  427    H    ASP  56           H        ASP  56 -12.303 -12.283  -6.794
  428    HA   ASP  56           HA       ASP  56 -12.661 -12.126  -9.695
  429   1HB   ASP  56          HB2       ASP  56 -11.384 -13.952  -8.728
  430   2HB   ASP  56          HB3       ASP  56 -12.754 -14.439  -7.731
  431    H    VAL  57           H        VAL  57 -14.663 -12.022 -10.727
  432    HA   VAL  57           HA       VAL  57 -16.965 -11.489  -9.130
  433    HB   VAL  57           HB       VAL  57 -18.214 -11.490 -11.306
  434   1HG1  VAL  57          HG11      VAL  57 -15.658  -9.848 -11.249
  435   2HG1  VAL  57          HG12      VAL  57 -17.139  -9.487 -12.175
  436   3HG1  VAL  57          HG13      VAL  57 -17.192  -9.472 -10.422
  437   1HG2  VAL  57          HG21      VAL  57 -17.018 -11.624 -13.426
  438   2HG2  VAL  57          HG22      VAL  57 -15.511 -12.058 -12.602
  439   3HG2  VAL  57          HG23      VAL  57 -16.898 -13.164 -12.583
  440    H    ASP  58           H        ASP  58 -15.881 -14.576 -10.502
  441    HA   ASP  58           HA       ASP  58 -18.613 -15.687 -10.505
  442   1HB   ASP  58          HB2       ASP  58 -17.028 -16.424 -12.224
  443   2HB   ASP  58          HB3       ASP  58 -15.907 -16.994 -10.983
  444    H    GLU  59           H        GLU  59 -15.646 -15.751  -8.547
  445    HA   GLU  59           HA       GLU  59 -16.696 -17.550  -6.525
  446   1HB   GLU  59          HB2       GLU  59 -14.425 -15.525  -6.577
  447   2HB   GLU  59          HB3       GLU  59 -14.756 -16.544  -5.182
  448   1HG   GLU  59          HG2       GLU  59 -14.110 -17.632  -7.957
  449   2HG   GLU  59          HG3       GLU  59 -12.929 -17.374  -6.683
  450    H    ASN  60           H        ASN  60 -17.386 -14.216  -7.257
  451    HA   ASN  60           HA       ASN  60 -18.513 -13.771  -4.530
  452   1HB   ASN  60          HB2       ASN  60 -16.684 -11.836  -6.001
  453   2HB   ASN  60          HB3       ASN  60 -17.527 -11.532  -4.493
  454   1HD2  ASN  60          HD22      ASN  60 -14.800 -13.122  -5.939
  455   2HD2  ASN  60          HD21      ASN  60 -14.082 -13.710  -4.439
  456    H    GLN  61           H        GLN  61 -20.182 -14.511  -6.463
  457    HA   GLN  61           HA       GLN  61 -21.196 -12.535  -8.182
  458   1HB   GLN  61          HB2       GLN  61 -23.196 -14.333  -6.939
  459   2HB   GLN  61          HB3       GLN  61 -22.860 -14.009  -8.626
  460   1HG   GLN  61          HG2       GLN  61 -22.453 -16.305  -8.346
  461   2HG   GLN  61          HG3       GLN  61 -20.848 -15.590  -8.382
  462   1HE2  GLN  61          HE22      GLN  61 -19.617 -16.860  -6.945
  463   2HE2  GLN  61          HE21      GLN  61 -20.079 -17.178  -5.279
  464    H    GLU  62           H        GLU  62 -21.766 -13.229  -4.753
  465    HA   GLU  62           HA       GLU  62 -23.967 -11.545  -4.275
  466   1HB   GLU  62          HB2       GLU  62 -21.688 -12.532  -2.509
  467   2HB   GLU  62          HB3       GLU  62 -23.127 -11.703  -1.880
  468   1HG   GLU  62          HG2       GLU  62 -24.569 -13.481  -2.875
  469   2HG   GLU  62          HG3       GLU  62 -23.125 -14.343  -3.406
  470    H    THR  63           H        THR  63 -20.485 -10.740  -4.483
  471    HA   THR  63           HA       THR  63 -21.009  -8.083  -3.419
  472    HB   THR  63           HB       THR  63 -18.395  -8.736  -4.603
  473    HG1  THR  63           HG1      THR  63 -19.414  -9.904  -2.236
  474   1HG2  THR  63          HG21      THR  63 -18.831  -6.595  -3.371
  475   2HG2  THR  63          HG22      THR  63 -19.074  -7.552  -1.891
  476   3HG2  THR  63          HG23      THR  63 -17.501  -7.563  -2.711
  477    H    ALA  64           H        ALA  64 -19.975  -9.569  -6.567
  478    HA   ALA  64           HA       ALA  64 -19.828  -7.057  -7.905
  479   1HB   ALA  64          HB1       ALA  64 -19.808  -8.407  -9.945
  480   2HB   ALA  64          HB2       ALA  64 -18.872  -9.255  -8.704
  481   3HB   ALA  64          HB3       ALA  64 -20.521  -9.797  -9.089
  482    H    GLY  65           H        GLY  65 -22.534  -9.420  -7.609
  483   1HA   GLY  65          HA2       GLY  65 -24.493  -7.973  -9.055
  484   2HA   GLY  65          HA3       GLY  65 -24.776  -9.197  -7.802
  485    H    LYS  66           H        LYS  66 -23.141  -7.411  -5.850
  486    HA   LYS  66           HA       LYS  66 -25.298  -6.007  -4.638
  487   1HB   LYS  66          HB2       LYS  66 -22.806  -6.823  -3.844
  488   2HB   LYS  66          HB3       LYS  66 -22.483  -5.117  -4.100
  489   1HG   LYS  66          HG2       LYS  66 -24.456  -4.630  -2.566
  490   2HG   LYS  66          HG3       LYS  66 -24.577  -6.368  -2.265
  491   1HD   LYS  66          HD2       LYS  66 -22.249  -4.522  -1.629
  492   2HD   LYS  66          HD3       LYS  66 -23.331  -5.279  -0.463
  493   1HE   LYS  66          HE2       LYS  66 -21.187  -6.597  -2.167
  494   2HE   LYS  66          HE3       LYS  66 -21.164  -6.360  -0.427
  495   1HZ   LYS  66          HZ1       LYS  66 -22.956  -8.231  -1.883
  496   2HZ   LYS  66          HZ2       LYS  66 -21.705  -8.630  -0.921
  497   3HZ   LYS  66          HZ3       LYS  66 -23.034  -7.931  -0.260
  498    H    TYR  67           H        TYR  67 -23.095  -5.112  -7.228
  499    HA   TYR  67           HA       TYR  67 -24.188  -2.335  -7.212
  500   1HB   TYR  67          HB2       TYR  67 -21.582  -3.106  -8.511
  501   2HB   TYR  67          HB3       TYR  67 -22.121  -1.524  -7.964
  502    HD1  TYR  67           HD1      TYR  67 -20.187  -4.434  -7.204
  503    HD2  TYR  67           HD2      TYR  67 -22.433  -1.271  -5.310
  504    HE1  TYR  67           HE1      TYR  67 -19.146  -4.998  -5.068
  505    HE2  TYR  67           HE2      TYR  67 -21.364  -1.801  -3.149
  506    HH   TYR  67           HH       TYR  67 -19.960  -3.251  -2.004
  507    H    GLY  68           H        GLY  68 -24.972  -5.097  -8.577
  508   1HA   GLY  68          HA2       GLY  68 -25.940  -5.729 -10.521
  509   2HA   GLY  68          HA3       GLY  68 -25.960  -4.030 -11.024
  510    H    VAL  69           H        VAL  69 -22.942  -5.764 -10.229
  511    HA   VAL  69           HA       VAL  69 -22.045  -5.487 -13.062
  512    HB   VAL  69           HB       VAL  69 -20.567  -5.655 -10.399
  513   1HG1  VAL  69          HG11      VAL  69 -18.481  -5.381 -11.644
  514   2HG1  VAL  69          HG12      VAL  69 -19.252  -6.901 -12.069
  515   3HG1  VAL  69          HG13      VAL  69 -19.353  -5.520 -13.189
  516   1HG2  VAL  69          HG21      VAL  69 -19.757  -3.396 -11.044
  517   2HG2  VAL  69          HG22      VAL  69 -20.755  -3.447 -12.506
  518   3HG2  VAL  69          HG23      VAL  69 -21.514  -3.422 -10.907
  519    H    MET  70           H        MET  70 -21.658  -7.280 -14.215
  520    HA   MET  70           HA       MET  70 -20.674  -9.667 -12.957
  521   1HB   MET  70          HB2       MET  70 -23.499  -9.584 -13.452
  522   2HB   MET  70          HB3       MET  70 -22.829 -10.654 -14.672
  523   1HG   MET  70          HG2       MET  70 -22.382 -10.824 -11.669
  524   2HG   MET  70          HG3       MET  70 -23.431 -11.869 -12.621
  525   1HE   MET  70          HE1       MET  70 -22.144 -13.812 -11.173
  526   2HE   MET  70          HE2       MET  70 -20.396 -14.109 -11.290
  527   3HE   MET  70          HE3       MET  70 -20.990 -12.641 -10.489
  528    H    SER  71           H        SER  71 -19.705  -7.603 -14.684
  529    HA   SER  71           HA       SER  71 -18.730  -9.195 -16.920
  530   1HB   SER  71          HB2       SER  71 -19.670  -6.300 -17.190
  531   2HB   SER  71          HB3       SER  71 -18.877  -7.266 -18.445
  532    HG   SER  71           HG       SER  71 -21.432  -7.709 -17.268
  533    H    ILE  72           H        ILE  72 -16.577  -8.315 -17.608
  534    HA   ILE  72           HA       ILE  72 -15.207  -6.755 -15.530
  535    HB   ILE  72           HB       ILE  72 -13.569  -8.492 -15.187
  536   1HG1  ILE  72          HG12      ILE  72 -13.703  -9.775 -17.269
  537   2HG1  ILE  72          HG13      ILE  72 -13.645 -10.728 -15.811
  538   1HG2  ILE  72          HG21      ILE  72 -16.325  -9.521 -14.497
  539   2HG2  ILE  72          HG22      ILE  72 -14.800  -9.949 -13.711
  540   3HG2  ILE  72          HG23      ILE  72 -15.411  -8.288 -13.616
  541   1HD1  ILE  72          HD11      ILE  72 -16.079 -11.225 -16.017
  542   2HD1  ILE  72          HD12      ILE  72 -16.108 -10.305 -17.545
  543   3HD1  ILE  72          HD13      ILE  72 -15.126 -11.763 -17.404
  544    HA   PRO  73           HA       PRO  73 -12.723  -6.561 -15.143
  545   1HB   PRO  73          HB2       PRO  73 -11.110  -4.390 -15.621
  546   2HB   PRO  73          HB3       PRO  73 -10.596  -6.083 -15.823
  547   1HG   PRO  73          HG2       PRO  73 -11.473  -4.122 -17.934
  548   2HG   PRO  73          HG3       PRO  73 -10.164  -5.346 -18.012
  549   1HD   PRO  73          HD2       PRO  73 -12.661  -5.709 -19.132
  550   2HD   PRO  73          HD3       PRO  73 -11.658  -7.053 -18.517
  551    H    THR  74           H        THR  74 -13.653  -5.249 -13.629
  552    HA   THR  74           HA       THR  74 -14.899  -2.700 -14.487
  553    HB   THR  74           HB       THR  74 -16.251  -4.934 -12.916
  554    HG1  THR  74           HG1      THR  74 -17.116  -5.351 -14.745
  555   1HG2  THR  74          HG21      THR  74 -16.903  -2.848 -11.870
  556   2HG2  THR  74          HG22      THR  74 -17.129  -2.058 -13.442
  557   3HG2  THR  74          HG23      THR  74 -18.228  -3.339 -12.939
  558    H    LEU  75           H        LEU  75 -14.416  -1.117 -13.092
  559    HA   LEU  75           HA       LEU  75 -12.852  -1.831 -10.652
  560   1HB   LEU  75          HB2       LEU  75 -12.695   0.705 -12.314
  561   2HB   LEU  75          HB3       LEU  75 -11.746   0.296 -10.888
  562    HG   LEU  75           HG       LEU  75 -11.617  -1.031 -13.627
  563   1HD1  LEU  75          HD11      LEU  75  -9.341  -0.096 -13.663
  564   2HD1  LEU  75          HD12      LEU  75 -10.552   1.172 -13.434
  565   3HD1  LEU  75          HD13      LEU  75  -9.585   0.609 -12.052
  566   1HD2  LEU  75          HD21      LEU  75  -9.662  -2.316 -12.712
  567   2HD2  LEU  75          HD22      LEU  75 -10.174  -1.834 -11.080
  568   3HD2  LEU  75          HD23      LEU  75 -11.233  -2.821 -12.103
  569    H    LEU  76           H        LEU  76 -14.237  -1.756  -9.058
  570    HA   LEU  76           HA       LEU  76 -16.381   0.301  -8.862
  571   1HB   LEU  76          HB2       LEU  76 -15.672  -2.284  -7.540
  572   2HB   LEU  76          HB3       LEU  76 -16.096  -1.025  -6.406
  573    HG   LEU  76           HG       LEU  76 -17.971  -2.519  -7.072
  574   1HD1  LEU  76          HD11      LEU  76 -18.287   0.442  -7.638
  575   2HD1  LEU  76          HD12      LEU  76 -19.626  -0.686  -7.380
  576   3HD1  LEU  76          HD13      LEU  76 -18.467  -0.386  -6.082
  577   1HD2  LEU  76          HD21      LEU  76 -17.767  -1.126  -9.776
  578   2HD2  LEU  76          HD22      LEU  76 -17.460  -2.843  -9.441
  579   3HD2  LEU  76          HD23      LEU  76 -19.089  -2.171  -9.232
  580    H    VAL  77           H        VAL  77 -16.099   2.101  -7.493
  581    HA   VAL  77           HA       VAL  77 -13.446   2.304  -6.139
  582    HB   VAL  77           HB       VAL  77 -15.020   4.669  -7.195
  583   1HG1  VAL  77          HG11      VAL  77 -13.375   5.060  -5.372
  584   2HG1  VAL  77          HG12      VAL  77 -12.105   4.304  -6.356
  585   3HG1  VAL  77          HG13      VAL  77 -12.859   5.821  -6.883
  586   1HG2  VAL  77          HG21      VAL  77 -13.363   4.845  -9.044
  587   2HG2  VAL  77          HG22      VAL  77 -12.752   3.230  -8.628
  588   3HG2  VAL  77          HG23      VAL  77 -14.413   3.439  -9.218
  589    H    LEU  78           H        LEU  78 -13.793   2.141  -4.056
  590    HA   LEU  78           HA       LEU  78 -16.390   3.082  -2.903
  591   1HB   LEU  78          HB2       LEU  78 -14.625   0.722  -2.116
  592   2HB   LEU  78          HB3       LEU  78 -15.654   1.540  -0.950
  593    HG   LEU  78           HG       LEU  78 -17.629   1.123  -2.488
  594   1HD1  LEU  78          HD11      LEU  78 -15.666  -0.787  -3.806
  595   2HD1  LEU  78          HD12      LEU  78 -17.432  -0.884  -3.977
  596   3HD1  LEU  78          HD13      LEU  78 -16.574   0.535  -4.577
  597   1HD2  LEU  78          HD21      LEU  78 -17.222  -0.132  -0.399
  598   2HD2  LEU  78          HD22      LEU  78 -18.058  -1.071  -1.642
  599   3HD2  LEU  78          HD23      LEU  78 -16.336  -1.347  -1.345
  600    H    LYS  79           H        LYS  79 -16.170   4.067  -0.775
  601    HA   LYS  79           HA       LYS  79 -13.449   4.780   0.069
  602   1HB   LYS  79          HB2       LYS  79 -14.233   6.683  -1.350
  603   2HB   LYS  79          HB3       LYS  79 -15.644   6.869  -0.290
  604   1HG   LYS  79          HG2       LYS  79 -14.146   7.353   1.635
  605   2HG   LYS  79          HG3       LYS  79 -12.732   7.081   0.605
  606   1HD   LYS  79          HD2       LYS  79 -13.598   8.964  -0.892
  607   2HD   LYS  79          HD3       LYS  79 -14.816   9.295   0.357
  608   1HE   LYS  79          HE2       LYS  79 -12.977   9.682   2.015
  609   2HE   LYS  79          HE3       LYS  79 -11.788   9.314   0.756
  610   1HZ   LYS  79          HZ1       LYS  79 -12.802  11.193  -0.515
  611   2HZ   LYS  79          HZ2       LYS  79 -13.572  11.659   0.869
  612   3HZ   LYS  79          HZ3       LYS  79 -11.918  11.623   0.755
  613    H    ASP  80           H        ASP  80 -13.333   4.336   2.194
  614    HA   ASP  80           HA       ASP  80 -13.947   3.633   4.237
  615   1HB   ASP  80          HB2       ASP  80 -13.873   6.091   4.359
  616   2HB   ASP  80          HB3       ASP  80 -15.612   6.165   4.071
  617    H    GLY  81           H        GLY  81 -15.413   2.169   2.390
  618   1HA   GLY  81          HA2       GLY  81 -16.728   0.367   2.950
  619   2HA   GLY  81          HA3       GLY  81 -17.618   1.317   4.135
  620    H    GLU  82           H        GLU  82 -17.759   3.284   1.401
  621    HA   GLU  82           HA       GLU  82 -20.137   1.852   0.325
  622   1HB   GLU  82          HB2       GLU  82 -21.404   3.825   0.441
  623   2HB   GLU  82          HB3       GLU  82 -20.626   3.614   2.018
  624   1HG   GLU  82          HG2       GLU  82 -18.949   5.333   1.434
  625   2HG   GLU  82          HG3       GLU  82 -19.716   5.563  -0.141
  626    H    VAL  83           H        VAL  83 -20.704   2.330  -1.860
  627    HA   VAL  83           HA       VAL  83 -18.452   2.687  -3.628
  628    HB   VAL  83           HB       VAL  83 -20.215   1.145  -4.139
  629   1HG1  VAL  83          HG11      VAL  83 -22.196   2.224  -3.153
  630   2HG1  VAL  83          HG12      VAL  83 -22.132   3.496  -4.393
  631   3HG1  VAL  83          HG13      VAL  83 -22.463   1.813  -4.847
  632   1HG2  VAL  83          HG21      VAL  83 -20.256   3.412  -6.165
  633   2HG2  VAL  83          HG22      VAL  83 -18.953   2.217  -5.981
  634   3HG2  VAL  83          HG23      VAL  83 -20.573   1.693  -6.461
  635    H    VAL  84           H        VAL  84 -17.817   4.320  -4.765
  636    HA   VAL  84           HA       VAL  84 -19.330   6.858  -4.727
  637    HB   VAL  84           HB       VAL  84 -17.223   8.105  -4.614
  638   1HG1  VAL  84          HG11      VAL  84 -18.567   7.684  -2.564
  639   2HG1  VAL  84          HG12      VAL  84 -17.557   6.268  -2.205
  640   3HG1  VAL  84          HG13      VAL  84 -16.842   7.892  -2.232
  641   1HG2  VAL  84          HG21      VAL  84 -15.638   6.350  -5.406
  642   2HG2  VAL  84          HG22      VAL  84 -15.130   7.099  -3.888
  643   3HG2  VAL  84          HG23      VAL  84 -15.858   5.485  -3.865
  644    H    GLU  85           H        GLU  85 -17.576   4.422  -6.628
  645    HA   GLU  85           HA       GLU  85 -18.863   5.623  -8.922
  646   1HB   GLU  85          HB2       GLU  85 -16.073   6.310  -8.462
  647   2HB   GLU  85          HB3       GLU  85 -16.159   5.303  -9.889
  648   1HG   GLU  85          HG2       GLU  85 -17.823   7.828  -9.478
  649   2HG   GLU  85          HG3       GLU  85 -16.287   7.758 -10.315
  650    H    THR  86           H        THR  86 -18.469   4.310 -10.937
  651    HA   THR  86           HA       THR  86 -17.272   1.650 -10.592
  652    HB   THR  86           HB       THR  86 -20.161   2.124 -11.455
  653    HG1  THR  86           HG1      THR  86 -19.307   1.800  -9.163
  654   1HG2  THR  86          HG21      THR  86 -20.236  -0.406 -11.696
  655   2HG2  THR  86          HG22      THR  86 -19.390   0.469 -12.978
  656   3HG2  THR  86          HG23      THR  86 -18.457  -0.374 -11.734
  657    H    SER  87           H        SER  87 -16.186   1.130 -12.433
  658    HA   SER  87           HA       SER  87 -16.697   2.598 -14.980
  659   1HB   SER  87          HB2       SER  87 -13.986   2.272 -13.610
  660   2HB   SER  87          HB3       SER  87 -14.283   3.035 -15.180
  661    HG   SER  87           HG       SER  87 -14.077   4.561 -13.486
  662    H    VAL  88           H        VAL  88 -15.846   1.374 -16.868
  663    HA   VAL  88           HA       VAL  88 -15.342  -1.507 -16.279
  664    HB   VAL  88           HB       VAL  88 -17.351  -0.408 -18.287
  665   1HG1  VAL  88          HG11      VAL  88 -16.432  -2.566 -19.013
  666   2HG1  VAL  88          HG12      VAL  88 -16.741  -3.268 -17.407
  667   3HG1  VAL  88          HG13      VAL  88 -18.088  -2.787 -18.460
  668   1HG2  VAL  88          HG21      VAL  88 -17.879  -1.775 -15.617
  669   2HG2  VAL  88          HG22      VAL  88 -18.273  -0.089 -16.027
  670   3HG2  VAL  88          HG23      VAL  88 -19.107  -1.406 -16.842
  671    H    GLY  89           H        GLY  89 -14.063  -2.561 -17.789
  672   1HA   GLY  89          HA2       GLY  89 -12.858  -2.901 -19.727
  673   2HA   GLY  89          HA3       GLY  89 -13.328  -1.311 -20.331
  674    H    PHE  90           H        PHE  90 -10.846  -1.911 -20.849
  675    HA   PHE  90           HA       PHE  90  -8.864  -1.416 -18.858
  676   1HB   PHE  90          HB2       PHE  90  -8.486  -2.577 -21.036
  677   2HB   PHE  90          HB3       PHE  90  -8.781  -1.067 -21.888
  678    HD1  PHE  90           HD1      PHE  90  -7.111   0.767 -21.846
  679    HD2  PHE  90           HD2      PHE  90  -6.372  -3.001 -19.866
  680    HE1  PHE  90           HE1      PHE  90  -4.704   1.333 -21.662
  681    HE2  PHE  90           HE2      PHE  90  -3.960  -2.430 -19.708
  682    HZ   PHE  90           HZ       PHE  90  -3.125  -0.267 -20.598
  683    H    LYS  91           H        LYS  91  -7.570   0.379 -18.462
  684    HA   LYS  91           HA       LYS  91  -8.338   3.021 -19.406
  685   1HB   LYS  91          HB2       LYS  91  -9.458   1.932 -16.959
  686   2HB   LYS  91          HB3       LYS  91  -8.167   3.003 -16.476
  687   1HG   LYS  91          HG2       LYS  91 -10.277   4.154 -16.480
  688   2HG   LYS  91          HG3       LYS  91  -9.156   4.870 -17.640
  689   1HD   LYS  91          HD2       LYS  91 -11.400   4.850 -18.565
  690   2HD   LYS  91          HD3       LYS  91 -10.371   3.772 -19.498
  691   1HE   LYS  91          HE2       LYS  91 -11.308   1.884 -17.927
  692   2HE   LYS  91          HE3       LYS  91 -12.544   3.070 -17.484
  693   1HZ   LYS  91          HZ1       LYS  91 -13.070   3.201 -19.896
  694   2HZ   LYS  91          HZ2       LYS  91 -11.947   2.024 -20.181
  695   3HZ   LYS  91          HZ3       LYS  91 -13.291   1.694 -19.289
  696    HA   PRO  92           HA       PRO  92  -3.906   3.100 -18.513
  697   1HB   PRO  92          HB2       PRO  92  -3.319   5.740 -18.856
  698   2HB   PRO  92          HB3       PRO  92  -3.756   4.673 -20.225
  699   1HG   PRO  92          HG2       PRO  92  -5.569   6.561 -18.692
  700   2HG   PRO  92          HG3       PRO  92  -5.390   6.406 -20.469
  701   1HD   PRO  92          HD2       PRO  92  -7.389   5.165 -19.077
  702   2HD   PRO  92          HD3       PRO  92  -6.628   4.402 -20.505
  703    H    LYS  93           H        LYS  93  -2.448   3.836 -16.826
  704    HA   LYS  93           HA       LYS  93  -3.592   3.989 -14.255
  705   1HB   LYS  93          HB2       LYS  93  -1.362   3.108 -14.723
  706   2HB   LYS  93          HB3       LYS  93  -0.808   4.663 -15.300
  707   1HG   LYS  93          HG2       LYS  93  -1.793   4.874 -12.518
  708   2HG   LYS  93          HG3       LYS  93  -0.666   3.551 -12.692
  709   1HD   LYS  93          HD2       LYS  93   0.602   5.505 -12.105
  710   2HD   LYS  93          HD3       LYS  93   0.990   5.058 -13.777
  711   1HE   LYS  93          HE2       LYS  93  -0.569   6.801 -14.607
  712   2HE   LYS  93          HE3       LYS  93  -0.991   7.227 -12.942
  713   1HZ   LYS  93          HZ1       LYS  93   0.585   8.737 -13.912
  714   2HZ   LYS  93          HZ2       LYS  93   1.294   7.978 -12.628
  715   3HZ   LYS  93          HZ3       LYS  93   1.688   7.546 -14.168
  716    H    GLU  94           H        GLU  94  -2.521   6.641 -16.456
  717    HA   GLU  94           HA       GLU  94  -2.488   8.613 -14.468
  718   1HB   GLU  94          HB2       GLU  94  -1.417   8.580 -16.793
  719   2HB   GLU  94          HB3       GLU  94  -3.014   8.947 -17.439
  720   1HG   GLU  94          HG2       GLU  94  -1.818  10.967 -17.295
  721   2HG   GLU  94          HG3       GLU  94  -3.054  11.013 -16.036
  722    H    ALA  95           H        ALA  95  -5.141   7.418 -16.505
  723    HA   ALA  95           HA       ALA  95  -7.053   9.413 -15.723
  724   1HB   ALA  95          HB1       ALA  95  -7.373   6.545 -16.689
  725   2HB   ALA  95          HB2       ALA  95  -8.672   7.756 -16.612
  726   3HB   ALA  95          HB3       ALA  95  -7.305   7.996 -17.728
  727    H    LEU  96           H        LEU  96  -6.177   6.138 -14.537
  728    HA   LEU  96           HA       LEU  96  -8.259   5.988 -12.605
  729   1HB   LEU  96          HB2       LEU  96  -5.557   4.578 -12.651
  730   2HB   LEU  96          HB3       LEU  96  -6.906   4.181 -11.583
  731    HG   LEU  96           HG       LEU  96  -6.933   3.964 -14.616
  732   1HD1  LEU  96          HD11      LEU  96  -6.930   1.768 -12.510
  733   2HD1  LEU  96          HD12      LEU  96  -6.933   1.559 -14.274
  734   3HD1  LEU  96          HD13      LEU  96  -5.519   2.262 -13.479
  735   1HD2  LEU  96          HD21      LEU  96  -9.069   3.239 -12.571
  736   2HD2  LEU  96          HD22      LEU  96  -9.192   4.457 -13.864
  737   3HD2  LEU  96          HD23      LEU  96  -9.087   2.753 -14.280
  738    H    GLN  97           H        GLN  97  -4.840   7.124 -12.317
  739    HA   GLN  97           HA       GLN  97  -5.176   7.612  -9.505
  740   1HB   GLN  97          HB2       GLN  97  -3.071   8.723  -9.483
  741   2HB   GLN  97          HB3       GLN  97  -2.969   7.279 -10.472
  742   1HG   GLN  97          HG2       GLN  97  -1.743   8.826 -11.683
  743   2HG   GLN  97          HG3       GLN  97  -3.301   8.793 -12.489
  744   1HE2  GLN  97          HE22      GLN  97  -3.993  10.828 -13.100
  745   2HE2  GLN  97          HE21      GLN  97  -3.568  12.315 -12.271
  746    H    GLU  98           H        GLU  98  -5.959   9.538 -12.392
  747    HA   GLU  98           HA       GLU  98  -6.340  11.997 -10.983
  748   1HB   GLU  98          HB2       GLU  98  -6.128  11.839 -13.461
  749   2HB   GLU  98          HB3       GLU  98  -7.667  10.990 -13.534
  750   1HG   GLU  98          HG2       GLU  98  -8.122  13.236 -14.107
  751   2HG   GLU  98          HG3       GLU  98  -8.776  12.994 -12.497
  752    H    LEU  99           H        LEU  99  -8.525   9.321 -11.965
  753    HA   LEU  99           HA       LEU  99 -10.888  10.307 -10.789
  754   1HB   LEU  99          HB2       LEU  99 -10.766   8.413 -12.378
  755   2HB   LEU  99          HB3       LEU  99  -9.970   7.423 -11.157
  756    HG   LEU  99           HG       LEU  99 -11.992   7.498  -9.734
  757   1HD1  LEU  99          HD11      LEU  99 -14.125   8.367 -10.708
  758   2HD1  LEU  99          HD12      LEU  99 -12.977   9.651 -10.359
  759   3HD1  LEU  99          HD13      LEU  99 -13.205   9.099 -12.039
  760   1HD2  LEU  99          HD21      LEU  99 -11.709   5.673 -11.357
  761   2HD2  LEU  99          HD22      LEU  99 -13.421   6.088 -11.178
  762   3HD2  LEU  99          HD23      LEU  99 -12.522   6.634 -12.610
  763    H    VAL 100           H        VAL 100  -8.321   8.252  -9.348
  764    HA   VAL 100           HA       VAL 100  -9.563   7.937  -6.811
  765    HB   VAL 100           HB       VAL 100  -6.701   7.760  -7.799
  766   1HG1  VAL 100          HG11      VAL 100  -6.536   8.316  -5.399
  767   2HG1  VAL 100          HG12      VAL 100  -7.677   7.011  -5.008
  768   3HG1  VAL 100          HG13      VAL 100  -6.077   6.652  -5.697
  769   1HG2  VAL 100          HG21      VAL 100  -8.621   5.591  -6.832
  770   2HG2  VAL 100          HG22      VAL 100  -8.477   6.053  -8.525
  771   3HG2  VAL 100          HG23      VAL 100  -7.078   5.381  -7.703
  772    H    ASN 101           H        ASN 101  -7.083  10.372  -7.917
  773    HA   ASN 101           HA       ASN 101  -7.025  11.579  -5.356
  774   1HB   ASN 101          HB2       ASN 101  -5.388  12.855  -6.099
  775   2HB   ASN 101          HB3       ASN 101  -5.432  11.835  -7.527
  776   1HD2  ASN 101          HD22      ASN 101  -7.137  12.663  -9.248
  777   2HD2  ASN 101          HD21      ASN 101  -6.940  14.334  -9.669
  778    H    LYS 102           H        LYS 102  -9.238  12.092  -8.016
  779    HA   LYS 102           HA       LYS 102 -10.484  14.455  -6.917
  780   1HB   LYS 102          HB2       LYS 102 -11.494  12.266  -8.778
  781   2HB   LYS 102          HB3       LYS 102 -12.478  13.650  -8.298
  782   1HG   LYS 102          HG2       LYS 102 -10.956  15.222  -9.321
  783   2HG   LYS 102          HG3       LYS 102  -9.740  13.983  -9.591
  784   1HD   LYS 102          HD2       LYS 102 -10.849  14.480 -11.691
  785   2HD   LYS 102          HD3       LYS 102 -11.175  12.827 -11.196
  786   1HE   LYS 102          HE2       LYS 102 -13.204  13.744 -12.084
  787   2HE   LYS 102          HE3       LYS 102 -13.424  13.520 -10.350
  788   1HZ   LYS 102          HZ1       LYS 102 -14.269  15.655 -11.108
  789   2HZ   LYS 102          HZ2       LYS 102 -13.040  15.916 -10.074
  790   3HZ   LYS 102          HZ3       LYS 102 -12.816  16.102 -11.685
  791    H    HIS 103           H        HIS 103 -10.920  10.944  -6.262
  792    HA   HIS 103           HA       HIS 103 -13.211  11.453  -4.522
  793   1HB   HIS 103          HB2       HIS 103 -11.602   8.964  -5.185
  794   2HB   HIS 103          HB3       HIS 103 -12.868   8.982  -3.965
  795    HD1  HIS 103           HD1      HIS 103 -15.354  10.112  -5.079
  796    HD2  HIS 103           HD2      HIS 103 -12.520   8.151  -7.495
  797    HE1  HIS 103           HE1      HIS 103 -16.588   9.360  -7.176
  798    H    LEU 104           H        LEU 104  -9.718  11.243  -4.044
  799    HA   LEU 104           HA       LEU 104  -9.616  10.584  -1.315
  800   1HB   LEU 104          HB2       LEU 104  -7.902  12.550  -2.881
  801   2HB   LEU 104          HB3       LEU 104  -7.580  12.107  -1.216
  802    HG   LEU 104           HG       LEU 104  -7.544  10.161  -3.553
  803   1HD1  LEU 104          HD11      LEU 104  -5.672  11.807  -3.552
  804   2HD1  LEU 104          HD12      LEU 104  -5.275  11.329  -1.895
  805   3HD1  LEU 104          HD13      LEU 104  -5.116  10.159  -3.226
  806   1HD2  LEU 104          HD21      LEU 104  -8.156   8.984  -1.482
  807   2HD2  LEU 104          HD22      LEU 104  -6.512   8.586  -1.954
  808   3HD2  LEU 104          HD23      LEU 104  -6.796   9.735  -0.628
  Start of MODEL    4
    1   1H    MET   1          H1        MET   1   4.543  -2.224  -0.052
    2   2H    MET   1          H2        MET   1   4.709  -1.091  -1.213
    3   3H    MET   1          H3        MET   1   4.366  -0.641   0.331
    4    HA   MET   1           HA       MET   1   2.230  -1.736   0.223
    5   1HB   MET   1          HB2       MET   1   2.743   0.305  -1.990
    6   2HB   MET   1          HB3       MET   1   1.138  -0.289  -1.559
    7   1HG   MET   1          HG2       MET   1   3.029   1.165   0.323
    8   2HG   MET   1          HG3       MET   1   1.613   1.849  -0.464
    9   1HE   MET   1          HE1       MET   1   2.493   1.599   2.809
   10   2HE   MET   1          HE2       MET   1   1.240   2.669   2.146
   11   3HE   MET   1          HE3       MET   1   0.841   1.545   3.464
   12    H    ALA   2           H        ALA   2   0.703  -3.000  -0.911
   13    HA   ALA   2           HA       ALA   2   1.283  -4.024  -3.573
   14   1HB   ALA   2          HB1       ALA   2   2.571  -5.627  -2.157
   15   2HB   ALA   2          HB2       ALA   2   1.125  -5.901  -1.157
   16   3HB   ALA   2          HB3       ALA   2   1.138  -6.397  -2.861
   17    H    ILE   3           H        ILE   3  -0.556  -5.153  -4.394
   18    HA   ILE   3           HA       ILE   3  -3.086  -4.009  -3.579
   19    HB   ILE   3           HB       ILE   3  -2.171  -6.047  -5.666
   20   1HG1  ILE   3          HG12      ILE   3  -3.093  -3.148  -5.865
   21   2HG1  ILE   3          HG13      ILE   3  -1.419  -3.679  -5.919
   22   1HG2  ILE   3          HG21      ILE   3  -4.509  -6.597  -5.187
   23   2HG2  ILE   3          HG22      ILE   3  -4.981  -4.896  -5.370
   24   3HG2  ILE   3          HG23      ILE   3  -4.387  -5.834  -6.756
   25   1HD1  ILE   3          HD11      ILE   3  -2.077  -3.213  -8.119
   26   2HD1  ILE   3          HD12      ILE   3  -1.912  -4.976  -7.980
   27   3HD1  ILE   3          HD13      ILE   3  -3.532  -4.207  -8.014
   28    H    VAL   4           H        VAL   4  -4.901  -5.171  -2.867
   29    HA   VAL   4           HA       VAL   4  -4.254  -7.443  -1.054
   30    HB   VAL   4           HB       VAL   4  -6.513  -5.414  -0.953
   31   1HG1  VAL   4          HG11      VAL   4  -5.499  -7.370   1.151
   32   2HG1  VAL   4          HG12      VAL   4  -6.668  -6.073   1.458
   33   3HG1  VAL   4          HG13      VAL   4  -7.099  -7.370   0.361
   34   1HG2  VAL   4          HG21      VAL   4  -4.439  -4.160  -0.632
   35   2HG2  VAL   4          HG22      VAL   4  -5.228  -4.338   0.929
   36   3HG2  VAL   4          HG23      VAL   4  -3.843  -5.373   0.524
   37    H    LYS   5           H        LYS   5  -6.157  -8.977  -0.770
   38    HA   LYS   5           HA       LYS   5  -7.782  -9.335  -3.253
   39   1HB   LYS   5          HB2       LYS   5  -6.102 -11.400  -1.768
   40   2HB   LYS   5          HB3       LYS   5  -7.575 -11.853  -2.598
   41   1HG   LYS   5          HG2       LYS   5  -5.729 -12.336  -4.023
   42   2HG   LYS   5          HG3       LYS   5  -6.737 -11.096  -4.738
   43   1HD   LYS   5          HD2       LYS   5  -4.331 -10.714  -5.131
   44   2HD   LYS   5          HD3       LYS   5  -5.093  -9.385  -4.301
   45   1HE   LYS   5          HE2       LYS   5  -2.961  -9.715  -3.283
   46   2HE   LYS   5          HE3       LYS   5  -4.172 -10.245  -2.118
   47   1HZ   LYS   5          HZ1       LYS   5  -3.685 -12.546  -2.774
   48   2HZ   LYS   5          HZ2       LYS   5  -2.580 -12.038  -3.869
   49   3HZ   LYS   5          HZ3       LYS   5  -2.325 -11.801  -2.282
   50    H    ALA   6           H        ALA   6  -9.922  -9.810  -2.776
   51    HA   ALA   6           HA       ALA   6 -10.649 -10.377   0.039
   52   1HB   ALA   6          HB1       ALA   6 -10.844  -7.931  -0.324
   53   2HB   ALA   6          HB2       ALA   6 -11.911  -8.228  -1.720
   54   3HB   ALA   6          HB3       ALA   6 -12.424  -8.689  -0.081
   55    H    THR   7           H        THR   7 -13.072 -10.868   0.114
   56    HA   THR   7           HA       THR   7 -14.007 -12.408  -2.242
   57    HB   THR   7           HB       THR   7 -14.789 -14.166  -0.702
   58    HG1  THR   7           HG1      THR   7 -13.472 -12.635   1.299
   59   1HG2  THR   7          HG21      THR   7 -11.809 -13.714  -0.251
   60   2HG2  THR   7          HG22      THR   7 -12.702 -15.246  -0.144
   61   3HG2  THR   7          HG23      THR   7 -12.531 -14.432  -1.709
   62    H    ASP   8           H        ASP   8 -16.523 -12.875  -1.832
   63    HA   ASP   8           HA       ASP   8 -17.921 -10.475  -1.416
   64   1HB   ASP   8          HB2       ASP   8 -19.153 -12.188  -2.468
   65   2HB   ASP   8          HB3       ASP   8 -18.736 -13.367  -1.253
   66    H    GLN   9           H        GLN   9 -16.851 -12.840   1.004
   67    HA   GLN   9           HA       GLN   9 -18.463 -11.712   3.131
   68   1HB   GLN   9          HB2       GLN   9 -16.130 -13.671   3.156
   69   2HB   GLN   9          HB3       GLN   9 -17.079 -13.209   4.568
   70   1HG   GLN   9          HG2       GLN   9 -18.135 -15.167   3.986
   71   2HG   GLN   9          HG3       GLN   9 -19.173 -13.979   3.219
   72   1HE2  GLN   9          HE22      GLN   9 -19.504 -14.178   0.908
   73   2HE2  GLN   9          HE21      GLN   9 -18.675 -15.406  -0.021
   74    H    SER  10           H        SER  10 -15.146 -11.173   1.972
   75    HA   SER  10           HA       SER  10 -14.592  -9.502   4.356
   76   1HB   SER  10          HB2       SER  10 -12.205  -9.906   3.681
   77   2HB   SER  10          HB3       SER  10 -13.122 -11.364   4.099
   78    HG   SER  10           HG       SER  10 -11.849 -11.572   2.200
   79    H    PHE  11           H        PHE  11 -15.169  -9.089   0.985
   80    HA   PHE  11           HA       PHE  11 -13.774  -6.765   0.350
   81   1HB   PHE  11          HB2       PHE  11 -15.265  -8.071  -1.132
   82   2HB   PHE  11          HB3       PHE  11 -16.670  -7.525  -0.234
   83    HD1  PHE  11           HD1      PHE  11 -17.243  -4.991  -0.295
   84    HD2  PHE  11           HD2      PHE  11 -14.418  -6.873  -2.963
   85    HE1  PHE  11           HE1      PHE  11 -17.505  -3.127  -1.899
   86    HE2  PHE  11           HE2      PHE  11 -14.754  -5.050  -4.591
   87    HZ   PHE  11           HZ       PHE  11 -16.281  -3.157  -4.064
   88    H    SER  12           H        SER  12 -16.698  -7.132   2.414
   89    HA   SER  12           HA       SER  12 -17.141  -4.321   2.566
   90   1HB   SER  12          HB2       SER  12 -18.158  -6.487   4.455
   91   2HB   SER  12          HB3       SER  12 -18.908  -4.914   4.122
   92    HG   SER  12           HG       SER  12 -19.905  -6.625   2.962
   93    H    ALA  13           H        ALA  13 -15.000  -6.432   4.379
   94    HA   ALA  13           HA       ALA  13 -14.655  -4.512   6.552
   95   1HB   ALA  13          HB1       ALA  13 -12.780  -5.976   7.201
   96   2HB   ALA  13          HB2       ALA  13 -14.269  -6.915   6.980
   97   3HB   ALA  13          HB3       ALA  13 -13.000  -6.946   5.734
   98    H    GLU  14           H        GLU  14 -12.953  -5.654   3.594
   99    HA   GLU  14           HA       GLU  14 -10.691  -4.017   3.974
  100   1HB   GLU  14          HB2       GLU  14 -11.833  -5.400   1.509
  101   2HB   GLU  14          HB3       GLU  14 -10.289  -4.549   1.479
  102   1HG   GLU  14          HG2       GLU  14 -10.986  -6.846   3.341
  103   2HG   GLU  14          HG3       GLU  14 -10.053  -6.994   1.848
  104    H    THR  15           H        THR  15 -13.716  -3.351   2.172
  105    HA   THR  15           HA       THR  15 -12.581  -0.946   1.048
  106    HB   THR  15           HB       THR  15 -14.858  -0.653   0.092
  107    HG1  THR  15           HG1      THR  15 -15.331  -3.255   1.116
  108   1HG2  THR  15          HG21      THR  15 -13.516  -3.360  -0.379
  109   2HG2  THR  15          HG22      THR  15 -14.644  -2.536  -1.472
  110   3HG2  THR  15          HG23      THR  15 -13.073  -1.817  -1.133
  111    H    SER  16           H        SER  16 -13.265  -1.428   4.144
  112    HA   SER  16           HA       SER  16 -14.743   1.126   4.526
  113   1HB   SER  16          HB2       SER  16 -14.848  -1.419   6.178
  114   2HB   SER  16          HB3       SER  16 -15.773   0.066   6.478
  115    HG   SER  16           HG       SER  16 -16.335  -1.966   4.853
  116    H    GLU  17           H        GLU  17 -11.863   0.998   4.343
  117    HA   GLU  17           HA       GLU  17 -11.194   1.970   7.086
  118   1HB   GLU  17          HB2       GLU  17  -9.442   0.229   5.297
  119   2HB   GLU  17          HB3       GLU  17  -8.983   0.876   6.877
  120   1HG   GLU  17          HG2       GLU  17 -10.841  -0.445   7.918
  121   2HG   GLU  17          HG3       GLU  17 -11.126  -1.205   6.344
  122    H    GLY  18           H        GLY  18 -11.518   3.035   3.971
  123   1HA   GLY  18          HA2       GLY  18 -10.014   5.377   4.143
  124   2HA   GLY  18          HA3       GLY  18  -8.939   4.142   3.425
  125    H    VAL  19           H        VAL  19  -9.017   5.640   1.599
  126    HA   VAL  19           HA       VAL  19 -11.411   5.464  -0.105
  127    HB   VAL  19           HB       VAL  19  -8.697   6.336  -1.051
  128   1HG1  VAL  19          HG11      VAL  19 -11.485   7.540  -1.475
  129   2HG1  VAL  19          HG12      VAL  19 -10.027   7.886  -2.424
  130   3HG1  VAL  19          HG13      VAL  19 -10.799   6.293  -2.520
  131   1HG2  VAL  19          HG21      VAL  19  -8.645   7.588   0.969
  132   2HG2  VAL  19          HG22      VAL  19  -9.149   8.704  -0.288
  133   3HG2  VAL  19          HG23      VAL  19 -10.356   8.034   0.829
  134    H    VAL  20           H        VAL  20 -11.572   3.747  -1.617
  135    HA   VAL  20           HA       VAL  20  -9.245   1.934  -1.885
  136    HB   VAL  20           HB       VAL  20 -12.046   1.005  -1.109
  137   1HG1  VAL  20          HG11      VAL  20  -9.400  -0.465  -1.464
  138   2HG1  VAL  20          HG12      VAL  20 -10.832  -1.180  -0.703
  139   3HG1  VAL  20          HG13      VAL  20 -10.886  -0.694  -2.397
  140   1HG2  VAL  20          HG21      VAL  20 -11.246   1.984   0.884
  141   2HG2  VAL  20          HG22      VAL  20 -10.852   0.281   1.071
  142   3HG2  VAL  20          HG23      VAL  20  -9.585   1.423   0.628
  143    H    LEU  21           H        LEU  21  -9.227   0.798  -3.825
  144    HA   LEU  21           HA       LEU  21 -11.484   1.230  -5.713
  145   1HB   LEU  21          HB2       LEU  21  -9.640   2.632  -6.391
  146   2HB   LEU  21          HB3       LEU  21  -8.495   1.301  -6.292
  147    HG   LEU  21           HG       LEU  21 -10.855   1.110  -8.190
  148   1HD1  LEU  21          HD11      LEU  21  -9.512   2.217  -9.941
  149   2HD1  LEU  21          HD12      LEU  21  -9.844   3.328  -8.610
  150   3HD1  LEU  21          HD13      LEU  21  -8.239   2.581  -8.753
  151   1HD2  LEU  21          HD21      LEU  21  -9.178  -0.140  -9.567
  152   2HD2  LEU  21          HD22      LEU  21  -7.972   0.089  -8.297
  153   3HD2  LEU  21          HD23      LEU  21  -9.412  -0.905  -7.999
  154    H    ALA  22           H        ALA  22 -12.193  -0.717  -6.614
  155    HA   ALA  22           HA       ALA  22 -10.699  -3.179  -5.816
  156   1HB   ALA  22          HB1       ALA  22 -12.801  -4.226  -5.226
  157   2HB   ALA  22          HB2       ALA  22 -12.530  -2.797  -4.209
  158   3HB   ALA  22          HB3       ALA  22 -13.692  -2.720  -5.556
  159    H    ASP  23           H        ASP  23 -10.241  -4.365  -7.461
  160    HA   ASP  23           HA       ASP  23 -11.526  -3.913 -10.089
  161   1HB   ASP  23          HB2       ASP  23  -9.139  -3.683 -10.056
  162   2HB   ASP  23          HB3       ASP  23  -8.941  -5.198  -9.188
  163    H    PHE  24           H        PHE  24 -13.268  -5.055 -10.254
  164    HA   PHE  24           HA       PHE  24 -13.633  -7.820  -9.337
  165   1HB   PHE  24          HB2       PHE  24 -15.306  -5.863 -10.975
  166   2HB   PHE  24          HB3       PHE  24 -15.777  -7.517 -10.668
  167    HD1  PHE  24           HD1      PHE  24 -17.135  -7.990  -8.803
  168    HD2  PHE  24           HD2      PHE  24 -14.791  -4.370  -8.816
  169    HE1  PHE  24           HE1      PHE  24 -18.146  -7.319  -6.651
  170    HE2  PHE  24           HE2      PHE  24 -15.768  -3.741  -6.639
  171    HZ   PHE  24           HZ       PHE  24 -17.456  -5.198  -5.554
  172    H    TRP  25           H        TRP  25 -12.714  -9.410 -10.546
  173    HA   TRP  25           HA       TRP  25 -12.302  -9.027 -13.460
  174   1HB   TRP  25          HB2       TRP  25  -9.974  -9.337 -13.317
  175   2HB   TRP  25          HB3       TRP  25 -10.335  -8.116 -12.122
  176    HD1  TRP  25           HD1      TRP  25 -10.596  -9.276  -9.511
  177    HE1  TRP  25           HE1      TRP  25  -9.103 -11.020  -8.383
  178    HE3  TRP  25           HE3      TRP  25  -8.294 -11.161 -13.676
  179    HZ2  TRP  25           HZ2      TRP  25  -7.057 -12.906  -9.177
  180    HZ3  TRP  25           HZ3      TRP  25  -6.548 -12.905 -13.453
  181    HH2  TRP  25           HH2      TRP  25  -5.937 -13.801 -11.220
  182    H    ALA  26           H        ALA  26 -11.061 -11.137 -14.269
  183    HA   ALA  26           HA       ALA  26 -11.297 -13.511 -12.702
  184   1HB   ALA  26          HB1       ALA  26 -12.724 -14.806 -14.214
  185   2HB   ALA  26          HB2       ALA  26 -13.640 -13.410 -13.643
  186   3HB   ALA  26          HB3       ALA  26 -12.930 -13.411 -15.279
  187    HA   PRO  27           HA       PRO  27  -7.719 -13.894 -15.135
  188   1HB   PRO  27          HB2       PRO  27  -7.072 -16.557 -15.077
  189   2HB   PRO  27          HB3       PRO  27  -7.078 -15.520 -13.619
  190   1HG   PRO  27          HG2       PRO  27  -9.266 -17.384 -14.586
  191   2HG   PRO  27          HG3       PRO  27  -8.580 -17.241 -12.935
  192   1HD   PRO  27          HD2       PRO  27 -10.898 -15.989 -13.688
  193   2HD   PRO  27          HD3       PRO  27  -9.756 -15.242 -12.522
  194    H    TRP  28           H        TRP  28 -10.503 -15.640 -16.422
  195    HA   TRP  28           HA       TRP  28  -9.166 -16.289 -18.930
  196   1HB   TRP  28          HB2       TRP  28 -11.517 -16.890 -19.628
  197   2HB   TRP  28          HB3       TRP  28 -10.792 -17.793 -18.320
  198    HD1  TRP  28           HD1      TRP  28 -12.674 -14.450 -17.766
  199    HE1  TRP  28           HE1      TRP  28 -14.745 -14.890 -16.357
  200    HE3  TRP  28           HE3      TRP  28 -12.382 -19.557 -17.493
  201    HZ2  TRP  28           HZ2      TRP  28 -16.109 -17.177 -15.202
  202    HZ3  TRP  28           HZ3      TRP  28 -14.089 -20.840 -16.232
  203    HH2  TRP  28           HH2      TRP  28 -15.955 -19.662 -15.088
  204    H    CYS  29           H        CYS  29 -10.307 -13.328 -17.655
  205    HA   CYS  29           HA       CYS  29 -11.307 -12.308 -20.235
  206   1HB   CYS  29          HB2       CYS  29 -12.470 -11.621 -18.184
  207   2HB   CYS  29          HB3       CYS  29 -10.942 -11.029 -17.504
  208    HG   CYS  29           HG       CYS  29 -12.638 -10.031 -20.180
  209    H    GLY  30           H        GLY  30  -9.824 -11.613 -21.711
  210   1HA   GLY  30          HA2       GLY  30  -7.048 -11.269 -21.308
  211   2HA   GLY  30          HA3       GLY  30  -7.994 -10.612 -22.650
  212    HA   PRO  31           HA       PRO  31  -7.923  -6.455 -21.130
  213   1HB   PRO  31          HB2       PRO  31 -10.793  -6.682 -20.215
  214   2HB   PRO  31          HB3       PRO  31  -9.982  -5.297 -21.018
  215   1HG   PRO  31          HG2       PRO  31 -11.448  -7.031 -22.480
  216   2HG   PRO  31          HG3       PRO  31  -9.835  -6.524 -23.082
  217   1HD   PRO  31          HD2       PRO  31 -10.612  -9.100 -21.718
  218   2HD   PRO  31          HD3       PRO  31  -9.491  -8.834 -23.081
  219    H    CYS  32           H        CYS  32  -9.450  -8.605 -18.634
  220    HA   CYS  32           HA       CYS  32  -8.717  -7.027 -16.369
  221   1HB   CYS  32          HB2       CYS  32  -8.972 -10.059 -16.665
  222   2HB   CYS  32          HB3       CYS  32  -8.688  -9.214 -15.143
  223    HG   CYS  32           HG       CYS  32 -11.219  -8.770 -17.245
  224    H    LYS  33           H        LYS  33  -6.868  -9.547 -18.172
  225    HA   LYS  33           HA       LYS  33  -4.557  -9.307 -16.413
  226   1HB   LYS  33          HB2       LYS  33  -4.944 -10.579 -19.153
  227   2HB   LYS  33          HB3       LYS  33  -3.433 -10.648 -18.234
  228   1HG   LYS  33          HG2       LYS  33  -4.526 -11.759 -16.360
  229   2HG   LYS  33          HG3       LYS  33  -6.108 -11.638 -17.128
  230   1HD   LYS  33          HD2       LYS  33  -3.770 -13.253 -18.225
  231   2HD   LYS  33          HD3       LYS  33  -5.124 -13.883 -17.273
  232   1HE   LYS  33          HE2       LYS  33  -6.658 -12.816 -19.075
  233   2HE   LYS  33          HE3       LYS  33  -5.196 -12.688 -20.072
  234   1HZ   LYS  33          HZ1       LYS  33  -4.954 -15.131 -19.779
  235   2HZ   LYS  33          HZ2       LYS  33  -6.375 -15.152 -18.942
  236   3HZ   LYS  33          HZ3       LYS  33  -6.353 -14.745 -20.530
  237    H    MET  34           H        MET  34  -5.617  -7.694 -19.416
  238    HA   MET  34           HA       MET  34  -3.131  -6.384 -19.934
  239   1HB   MET  34          HB2       MET  34  -5.977  -5.539 -20.608
  240   2HB   MET  34          HB3       MET  34  -4.523  -4.754 -21.219
  241   1HG   MET  34          HG2       MET  34  -3.827  -6.720 -22.405
  242   2HG   MET  34          HG3       MET  34  -5.053  -7.710 -21.628
  243   1HE   MET  34          HE1       MET  34  -4.361  -4.858 -24.236
  244   2HE   MET  34          HE2       MET  34  -5.982  -4.524 -24.881
  245   3HE   MET  34          HE3       MET  34  -5.578  -4.049 -23.220
  246    H    ILE  35           H        ILE  35  -6.005  -5.361 -17.946
  247    HA   ILE  35           HA       ILE  35  -4.685  -2.861 -17.307
  248    HB   ILE  35           HB       ILE  35  -7.166  -3.214 -17.556
  249   1HG1  ILE  35          HG12      ILE  35  -6.122  -1.749 -15.107
  250   2HG1  ILE  35          HG13      ILE  35  -6.195  -1.147 -16.763
  251   1HG2  ILE  35          HG21      ILE  35  -7.050  -4.240 -14.694
  252   2HG2  ILE  35          HG22      ILE  35  -8.501  -3.941 -15.671
  253   3HG2  ILE  35          HG23      ILE  35  -7.394  -5.219 -16.132
  254   1HD1  ILE  35          HD11      ILE  35  -8.034  -0.184 -15.584
  255   2HD1  ILE  35          HD12      ILE  35  -8.734  -1.430 -16.632
  256   3HD1  ILE  35          HD13      ILE  35  -8.520  -1.744 -14.898
  257    H    ALA  36           H        ALA  36  -4.516  -6.065 -15.924
  258    HA   ALA  36           HA       ALA  36  -4.055  -5.538 -13.273
  259   1HB   ALA  36          HB1       ALA  36  -2.641  -7.631 -14.966
  260   2HB   ALA  36          HB2       ALA  36  -2.737  -7.616 -13.198
  261   3HB   ALA  36          HB3       ALA  36  -4.214  -7.797 -14.163
  262    HA   PRO  37           HA       PRO  37   0.588  -4.560 -13.728
  263   1HB   PRO  37          HB2       PRO  37   1.569  -3.599 -16.134
  264   2HB   PRO  37          HB3       PRO  37   1.651  -5.306 -15.605
  265   1HG   PRO  37          HG2       PRO  37  -0.414  -4.009 -17.408
  266   2HG   PRO  37          HG3       PRO  37   0.468  -5.552 -17.661
  267   1HD   PRO  37          HD2       PRO  37  -2.030  -5.547 -16.667
  268   2HD   PRO  37          HD3       PRO  37  -0.806  -6.655 -15.993
  269    H    VAL  38           H        VAL  38  -1.847  -2.727 -15.610
  270    HA   VAL  38           HA       VAL  38  -0.726  -0.148 -15.110
  271    HB   VAL  38           HB       VAL  38  -3.672  -0.781 -15.571
  272   1HG1  VAL  38          HG11      VAL  38  -3.725   1.412 -16.589
  273   2HG1  VAL  38          HG12      VAL  38  -3.045   1.561 -14.964
  274   3HG1  VAL  38          HG13      VAL  38  -1.970   1.594 -16.382
  275   1HG2  VAL  38          HG21      VAL  38  -1.476  -0.502 -17.675
  276   2HG2  VAL  38          HG22      VAL  38  -2.462  -1.948 -17.374
  277   3HG2  VAL  38          HG23      VAL  38  -3.222  -0.487 -18.001
  278    H    LEU  39           H        LEU  39  -3.141  -2.221 -13.412
  279    HA   LEU  39           HA       LEU  39  -3.623  -0.379 -11.289
  280   1HB   LEU  39          HB2       LEU  39  -3.943  -3.391 -11.516
  281   2HB   LEU  39          HB3       LEU  39  -4.426  -2.491 -10.083
  282    HG   LEU  39           HG       LEU  39  -5.501  -1.809 -12.850
  283   1HD1  LEU  39          HD11      LEU  39  -6.070  -4.127 -12.369
  284   2HD1  LEU  39          HD12      LEU  39  -6.694  -3.675 -10.762
  285   3HD1  LEU  39          HD13      LEU  39  -7.507  -3.111 -12.240
  286   1HD2  LEU  39          HD21      LEU  39  -5.779  -0.032 -11.144
  287   2HD2  LEU  39          HD22      LEU  39  -7.333  -0.754 -11.567
  288   3HD2  LEU  39          HD23      LEU  39  -6.537  -1.198 -10.042
  289    H    GLU  40           H        GLU  40  -1.137  -2.961 -11.722
  290    HA   GLU  40           HA       GLU  40  -0.092  -2.692  -9.069
  291   1HB   GLU  40          HB2       GLU  40   1.176  -3.638 -11.663
  292   2HB   GLU  40          HB3       GLU  40   2.036  -3.608 -10.122
  293   1HG   GLU  40          HG2       GLU  40   0.339  -5.073  -9.100
  294   2HG   GLU  40          HG3       GLU  40  -0.555  -5.133 -10.617
  295    H    GLU  41           H        GLU  41   0.679  -0.909 -12.097
  296    HA   GLU  41           HA       GLU  41   2.711   0.723 -10.906
  297   1HB   GLU  41          HB2       GLU  41   0.901   1.123 -13.317
  298   2HB   GLU  41          HB3       GLU  41   2.084   2.328 -12.794
  299   1HG   GLU  41          HG2       GLU  41   3.898   0.646 -12.973
  300   2HG   GLU  41          HG3       GLU  41   2.745  -0.546 -13.564
  301    H    LEU  42           H        LEU  42  -0.846   1.125 -11.230
  302    HA   LEU  42           HA       LEU  42  -0.971   3.671 -10.021
  303   1HB   LEU  42          HB2       LEU  42  -2.789   2.487 -11.326
  304   2HB   LEU  42          HB3       LEU  42  -3.044   1.451  -9.919
  305    HG   LEU  42           HG       LEU  42  -3.562   3.538  -8.568
  306   1HD1  LEU  42          HD11      LEU  42  -3.567   4.865 -11.319
  307   2HD1  LEU  42          HD12      LEU  42  -4.229   5.562  -9.824
  308   3HD1  LEU  42          HD13      LEU  42  -2.498   5.263  -9.956
  309   1HD2  LEU  42          HD21      LEU  42  -5.230   2.754 -10.975
  310   2HD2  LEU  42          HD22      LEU  42  -5.350   2.128  -9.334
  311   3HD2  LEU  42          HD23      LEU  42  -5.844   3.792  -9.659
  312    H    ASP  43           H        ASP  43  -1.033   0.378  -8.549
  313    HA   ASP  43           HA       ASP  43  -1.514   1.248  -5.884
  314   1HB   ASP  43          HB2       ASP  43  -1.822  -1.080  -6.580
  315   2HB   ASP  43          HB3       ASP  43  -0.097  -1.235  -6.918
  316    H    GLN  44           H        GLN  44   1.527   0.749  -7.745
  317    HA   GLN  44           HA       GLN  44   3.279   1.363  -5.575
  318   1HB   GLN  44          HB2       GLN  44   3.520   1.438  -8.591
  319   2HB   GLN  44          HB3       GLN  44   4.865   1.933  -7.554
  320   1HG   GLN  44          HG2       GLN  44   5.034  -0.230  -6.537
  321   2HG   GLN  44          HG3       GLN  44   3.498  -0.766  -7.215
  322   1HE2  GLN  44          HE22      GLN  44   3.329  -1.145  -9.502
  323   2HE2  GLN  44          HE21      GLN  44   4.757  -1.555 -10.454
  324    H    GLU  45           H        GLU  45   1.282   3.422  -7.591
  325    HA   GLU  45           HA       GLU  45   2.756   5.870  -6.907
  326   1HB   GLU  45          HB2       GLU  45   0.377   5.169  -8.647
  327   2HB   GLU  45          HB3       GLU  45   0.884   6.835  -8.407
  328   1HG   GLU  45          HG2       GLU  45   2.956   4.828  -9.344
  329   2HG   GLU  45          HG3       GLU  45   1.720   5.379 -10.465
  330    H    MET  46           H        MET  46  -0.315   4.271  -6.069
  331    HA   MET  46           HA       MET  46  -1.085   6.596  -4.347
  332   1HB   MET  46          HB2       MET  46  -2.744   4.752  -6.116
  333   2HB   MET  46          HB3       MET  46  -3.442   5.861  -4.947
  334   1HG   MET  46          HG2       MET  46  -1.656   6.777  -7.228
  335   2HG   MET  46          HG3       MET  46  -3.413   6.694  -7.298
  336   1HE   MET  46          HE1       MET  46  -3.095  10.529  -7.095
  337   2HE   MET  46          HE2       MET  46  -2.108   9.391  -8.037
  338   3HE   MET  46          HE3       MET  46  -3.867   9.141  -7.888
  339    H    GLY  47           H        GLY  47  -0.291   3.270  -4.166
  340   1HA   GLY  47          HA2       GLY  47  -2.173   1.945  -2.790
  341   2HA   GLY  47          HA3       GLY  47  -0.455   1.734  -2.515
  342    H    ASP  48           H        ASP  48  -0.150   4.440  -1.310
  343    HA   ASP  48           HA       ASP  48  -0.703   3.661   1.443
  344   1HB   ASP  48          HB2       ASP  48   1.455   4.664   0.896
  345   2HB   ASP  48          HB3       ASP  48   0.662   6.087   0.218
  346    H    LYS  49           H        LYS  49  -1.837   6.058  -0.922
  347    HA   LYS  49           HA       LYS  49  -3.492   7.472   1.027
  348   1HB   LYS  49          HB2       LYS  49  -3.066   7.864  -1.968
  349   2HB   LYS  49          HB3       LYS  49  -4.047   8.911  -0.931
  350   1HG   LYS  49          HG2       LYS  49  -2.066   9.435   0.460
  351   2HG   LYS  49          HG3       LYS  49  -1.046   8.443  -0.585
  352   1HD   LYS  49          HD2       LYS  49  -2.569  10.928  -1.471
  353   2HD   LYS  49          HD3       LYS  49  -0.856  10.862  -1.041
  354   1HE   LYS  49          HE2       LYS  49  -0.481   9.184  -2.867
  355   2HE   LYS  49          HE3       LYS  49  -2.174   9.359  -3.348
  356   1HZ   LYS  49          HZ1       LYS  49  -1.717  11.706  -3.818
  357   2HZ   LYS  49          HZ2       LYS  49  -0.155  11.532  -3.370
  358   3HZ   LYS  49          HZ3       LYS  49  -0.715  10.749  -4.682
  359    H    LEU  50           H        LEU  50  -3.752   4.961  -1.413
  360    HA   LEU  50           HA       LEU  50  -6.570   4.598  -0.787
  361   1HB   LEU  50          HB2       LEU  50  -6.942   5.983  -2.585
  362   2HB   LEU  50          HB3       LEU  50  -5.509   5.475  -3.459
  363    HG   LEU  50           HG       LEU  50  -7.463   3.263  -3.164
  364   1HD1  LEU  50          HD11      LEU  50  -8.364   5.727  -4.672
  365   2HD1  LEU  50          HD12      LEU  50  -9.112   4.118  -4.741
  366   3HD1  LEU  50          HD13      LEU  50  -9.099   5.015  -3.227
  367   1HD2  LEU  50          HD21      LEU  50  -6.139   4.574  -5.563
  368   2HD2  LEU  50          HD22      LEU  50  -5.544   3.163  -4.679
  369   3HD2  LEU  50          HD23      LEU  50  -7.061   3.056  -5.581
  370    H    LYS  51           H        LYS  51  -6.983   2.521  -0.547
  371    HA   LYS  51           HA       LYS  51  -4.885   0.503  -0.954
  372   1HB   LYS  51          HB2       LYS  51  -6.422   0.568   1.029
  373   2HB   LYS  51          HB3       LYS  51  -7.791   0.307  -0.050
  374   1HG   LYS  51          HG2       LYS  51  -6.730  -1.912  -0.716
  375   2HG   LYS  51          HG3       LYS  51  -5.539  -1.645   0.563
  376   1HD   LYS  51          HD2       LYS  51  -8.572  -1.834   0.898
  377   2HD   LYS  51          HD3       LYS  51  -7.410  -3.115   1.250
  378   1HE   LYS  51          HE2       LYS  51  -6.368  -1.679   3.010
  379   2HE   LYS  51          HE3       LYS  51  -7.589  -0.425   2.703
  380   1HZ   LYS  51          HZ1       LYS  51  -8.174  -1.962   4.573
  381   2HZ   LYS  51          HZ2       LYS  51  -9.288  -1.961   3.359
  382   3HZ   LYS  51          HZ3       LYS  51  -8.228  -3.206   3.511
  383    H    ILE  52           H        ILE  52  -5.073  -1.279  -2.518
  384    HA   ILE  52           HA       ILE  52  -7.291  -1.004  -4.467
  385    HB   ILE  52           HB       ILE  52  -4.391  -1.571  -5.136
  386   1HG1  ILE  52          HG12      ILE  52  -6.328   0.708  -5.699
  387   2HG1  ILE  52          HG13      ILE  52  -4.816   0.783  -4.799
  388   1HG2  ILE  52          HG21      ILE  52  -6.844  -1.626  -6.959
  389   2HG2  ILE  52          HG22      ILE  52  -5.152  -1.837  -7.471
  390   3HG2  ILE  52          HG23      ILE  52  -5.912  -3.049  -6.461
  391   1HD1  ILE  52          HD11      ILE  52  -4.521   1.861  -6.888
  392   2HD1  ILE  52          HD12      ILE  52  -3.573   0.358  -6.925
  393   3HD1  ILE  52          HD13      ILE  52  -5.123   0.457  -7.791
  394    H    VAL  53           H        VAL  53  -8.410  -2.819  -4.747
  395    HA   VAL  53           HA       VAL  53  -7.457  -5.292  -3.389
  396    HB   VAL  53           HB       VAL  53 -10.323  -4.307  -3.476
  397   1HG1  VAL  53          HG11      VAL  53 -10.613  -5.855  -1.563
  398   2HG1  VAL  53          HG12      VAL  53 -10.137  -6.702  -3.028
  399   3HG1  VAL  53          HG13      VAL  53  -8.932  -6.402  -1.750
  400   1HG2  VAL  53          HG21      VAL  53 -10.066  -3.615  -1.112
  401   2HG2  VAL  53          HG22      VAL  53  -8.320  -3.953  -1.197
  402   3HG2  VAL  53          HG23      VAL  53  -9.036  -2.652  -2.168
  403    H    LYS  54           H        LYS  54  -8.166  -7.250  -4.323
  404    HA   LYS  54           HA       LYS  54  -9.220  -7.162  -7.125
  405   1HB   LYS  54          HB2       LYS  54  -7.277  -8.999  -5.635
  406   2HB   LYS  54          HB3       LYS  54  -7.977  -9.445  -7.185
  407   1HG   LYS  54          HG2       LYS  54  -6.412  -6.879  -6.811
  408   2HG   LYS  54          HG3       LYS  54  -5.638  -8.433  -7.192
  409   1HD   LYS  54          HD2       LYS  54  -7.115  -8.632  -9.200
  410   2HD   LYS  54          HD3       LYS  54  -7.765  -7.013  -8.838
  411   1HE   LYS  54          HE2       LYS  54  -5.593  -6.004  -9.098
  412   2HE   LYS  54          HE3       LYS  54  -4.816  -7.600  -9.211
  413   1HZ   LYS  54          HZ1       LYS  54  -5.909  -7.977 -11.298
  414   2HZ   LYS  54          HZ2       LYS  54  -6.812  -6.619 -11.177
  415   3HZ   LYS  54          HZ3       LYS  54  -5.176  -6.516 -11.401
  416    H    ILE  55           H        ILE  55 -11.045  -8.421  -7.532
  417    HA   ILE  55           HA       ILE  55 -11.639 -10.595  -5.636
  418    HB   ILE  55           HB       ILE  55 -12.760  -8.688  -4.701
  419   1HG1  ILE  55          HG12      ILE  55 -14.885 -10.486  -5.901
  420   2HG1  ILE  55          HG13      ILE  55 -13.712 -11.062  -4.709
  421   1HG2  ILE  55          HG21      ILE  55 -14.429  -8.427  -7.229
  422   2HG2  ILE  55          HG22      ILE  55 -14.576  -7.467  -5.752
  423   3HG2  ILE  55          HG23      ILE  55 -13.134  -7.310  -6.752
  424   1HD1  ILE  55          HD11      ILE  55 -15.716  -8.813  -4.273
  425   2HD1  ILE  55          HD12      ILE  55 -15.723 -10.431  -3.549
  426   3HD1  ILE  55          HD13      ILE  55 -14.443  -9.292  -3.121
  427    H    ASP  56           H        ASP  56 -12.002 -12.387  -6.718
  428    HA   ASP  56           HA       ASP  56 -12.284 -12.359  -9.627
  429   1HB   ASP  56          HB2       ASP  56 -10.767 -13.932  -8.581
  430   2HB   ASP  56          HB3       ASP  56 -12.074 -14.612  -7.609
  431    H    VAL  57           H        VAL  57 -14.305 -12.065 -10.477
  432    HA   VAL  57           HA       VAL  57 -16.652 -12.270  -8.867
  433    HB   VAL  57           HB       VAL  57 -17.905 -11.739 -10.866
  434   1HG1  VAL  57          HG11      VAL  57 -16.947  -9.587 -11.344
  435   2HG1  VAL  57          HG12      VAL  57 -16.608  -9.981  -9.648
  436   3HG1  VAL  57          HG13      VAL  57 -15.322 -10.125 -10.862
  437   1HG2  VAL  57          HG21      VAL  57 -16.865 -11.429 -13.069
  438   2HG2  VAL  57          HG22      VAL  57 -15.333 -12.090 -12.467
  439   3HG2  VAL  57          HG23      VAL  57 -16.776 -13.118 -12.571
  440    H    ASP  58           H        ASP  58 -14.987 -14.732 -10.754
  441    HA   ASP  58           HA       ASP  58 -17.352 -16.355 -11.228
  442   1HB   ASP  58          HB2       ASP  58 -15.311 -16.494 -12.628
  443   2HB   ASP  58          HB3       ASP  58 -14.412 -17.123 -11.241
  444    H    GLU  59           H        GLU  59 -15.491 -15.686  -8.460
  445    HA   GLU  59           HA       GLU  59 -16.490 -18.116  -7.018
  446   1HB   GLU  59          HB2       GLU  59 -13.936 -16.482  -6.765
  447   2HB   GLU  59          HB3       GLU  59 -14.478 -17.557  -5.483
  448   1HG   GLU  59          HG2       GLU  59 -13.976 -18.512  -8.333
  449   2HG   GLU  59          HG3       GLU  59 -12.751 -18.496  -7.073
  450    H    ASN  60           H        ASN  60 -17.014 -14.814  -7.423
  451    HA   ASN  60           HA       ASN  60 -18.072 -14.440  -4.674
  452   1HB   ASN  60          HB2       ASN  60 -16.065 -12.559  -5.997
  453   2HB   ASN  60          HB3       ASN  60 -16.880 -12.304  -4.462
  454   1HD2  ASN  60          HD22      ASN  60 -14.249 -13.956  -6.011
  455   2HD2  ASN  60          HD21      ASN  60 -13.558 -14.623  -4.534
  456    H    GLN  61           H        GLN  61 -19.453 -14.874  -7.085
  457    HA   GLN  61           HA       GLN  61 -20.260 -12.503  -8.422
  458   1HB   GLN  61          HB2       GLN  61 -22.230 -13.837  -9.138
  459   2HB   GLN  61          HB3       GLN  61 -20.680 -14.572  -9.501
  460   1HG   GLN  61          HG2       GLN  61 -22.215 -15.395  -7.013
  461   2HG   GLN  61          HG3       GLN  61 -22.648 -16.027  -8.590
  462   1HE2  GLN  61          HE22      GLN  61 -20.431 -16.414  -5.922
  463   2HE2  GLN  61          HE21      GLN  61 -19.435 -17.632  -6.697
  464    H    GLU  62           H        GLU  62 -21.153 -13.856  -5.326
  465    HA   GLU  62           HA       GLU  62 -23.576 -12.530  -4.793
  466   1HB   GLU  62          HB2       GLU  62 -21.248 -13.380  -3.002
  467   2HB   GLU  62          HB3       GLU  62 -22.815 -12.827  -2.404
  468   1HG   GLU  62          HG2       GLU  62 -22.932 -15.141  -2.260
  469   2HG   GLU  62          HG3       GLU  62 -23.897 -14.725  -3.673
  470    H    THR  63           H        THR  63 -20.184 -11.330  -4.642
  471    HA   THR  63           HA       THR  63 -21.022  -8.799  -3.528
  472    HB   THR  63           HB       THR  63 -18.499  -8.552  -4.883
  473    HG1  THR  63           HG1      THR  63 -18.262 -10.752  -4.811
  474   1HG2  THR  63          HG21      THR  63 -17.667  -8.194  -2.596
  475   2HG2  THR  63          HG22      THR  63 -19.148  -7.276  -2.932
  476   3HG2  THR  63          HG23      THR  63 -19.230  -8.748  -1.942
  477    H    ALA  64           H        ALA  64 -20.073 -10.017  -6.803
  478    HA   ALA  64           HA       ALA  64 -20.113  -7.423  -7.921
  479   1HB   ALA  64          HB1       ALA  64 -20.656 -10.079  -9.361
  480   2HB   ALA  64          HB2       ALA  64 -19.990  -8.593 -10.074
  481   3HB   ALA  64          HB3       ALA  64 -19.035  -9.509  -8.903
  482    H    GLY  65           H        GLY  65 -22.678  -9.940  -7.850
  483   1HA   GLY  65          HA2       GLY  65 -24.705  -8.501  -9.206
  484   2HA   GLY  65          HA3       GLY  65 -24.936  -9.817  -8.039
  485    H    LYS  66           H        LYS  66 -23.451  -8.114  -5.923
  486    HA   LYS  66           HA       LYS  66 -25.708  -6.918  -4.668
  487   1HB   LYS  66          HB2       LYS  66 -23.247  -7.691  -3.853
  488   2HB   LYS  66          HB3       LYS  66 -22.936  -5.961  -4.011
  489   1HG   LYS  66          HG2       LYS  66 -24.941  -5.581  -2.497
  490   2HG   LYS  66          HG3       LYS  66 -25.051  -7.335  -2.293
  491   1HD   LYS  66          HD2       LYS  66 -22.780  -5.485  -1.489
  492   2HD   LYS  66          HD3       LYS  66 -23.841  -6.386  -0.410
  493   1HE   LYS  66          HE2       LYS  66 -21.630  -7.466  -2.198
  494   2HE   LYS  66          HE3       LYS  66 -21.643  -7.403  -0.439
  495   1HZ   LYS  66          HZ1       LYS  66 -23.507  -9.033  -0.519
  496   2HZ   LYS  66          HZ2       LYS  66 -23.270  -9.205  -2.146
  497   3HZ   LYS  66          HZ3       LYS  66 -22.098  -9.629  -1.104
  498    H    TYR  67           H        TYR  67 -23.308  -5.676  -6.953
  499    HA   TYR  67           HA       TYR  67 -24.607  -2.990  -6.870
  500   1HB   TYR  67          HB2       TYR  67 -21.918  -3.492  -8.106
  501   2HB   TYR  67          HB3       TYR  67 -22.569  -2.011  -7.428
  502    HD1  TYR  67           HD1      TYR  67 -22.657  -1.783  -4.843
  503    HD2  TYR  67           HD2      TYR  67 -20.718  -5.077  -6.844
  504    HE1  TYR  67           HE1      TYR  67 -21.433  -2.336  -2.756
  505    HE2  TYR  67           HE2      TYR  67 -19.579  -5.694  -4.784
  506    HH   TYR  67           HH       TYR  67 -19.236  -5.144  -2.492
  507    H    GLY  68           H        GLY  68 -25.152  -5.687  -8.479
  508   1HA   GLY  68          HA2       GLY  68 -26.041  -6.202 -10.490
  509   2HA   GLY  68          HA3       GLY  68 -26.095  -4.475 -10.882
  510    H    VAL  69           H        VAL  69 -22.981  -5.911 -10.093
  511    HA   VAL  69           HA       VAL  69 -22.009  -5.464 -12.854
  512    HB   VAL  69           HB       VAL  69 -20.602  -6.190 -10.238
  513   1HG1  VAL  69          HG11      VAL  69 -19.382  -5.520 -12.952
  514   2HG1  VAL  69          HG12      VAL  69 -18.493  -5.692 -11.422
  515   3HG1  VAL  69          HG13      VAL  69 -19.301  -7.090 -12.121
  516   1HG2  VAL  69          HG21      VAL  69 -19.711  -3.898 -10.339
  517   2HG2  VAL  69          HG22      VAL  69 -20.629  -3.583 -11.830
  518   3HG2  VAL  69          HG23      VAL  69 -21.475  -3.855 -10.300
  519    H    MET  70           H        MET  70 -21.715  -7.115 -14.248
  520    HA   MET  70           HA       MET  70 -20.795  -9.645 -13.313
  521   1HB   MET  70          HB2       MET  70 -23.615  -9.522 -13.695
  522   2HB   MET  70          HB3       MET  70 -23.002 -10.389 -15.097
  523   1HG   MET  70          HG2       MET  70 -22.428 -10.997 -12.173
  524   2HG   MET  70          HG3       MET  70 -23.484 -11.925 -13.233
  525   1HE   MET  70          HE1       MET  70 -20.111 -14.021 -12.219
  526   2HE   MET  70          HE2       MET  70 -20.722 -12.634 -11.299
  527   3HE   MET  70          HE3       MET  70 -21.852 -13.881 -11.882
  528    H    SER  71           H        SER  71 -19.748  -7.471 -14.697
  529    HA   SER  71           HA       SER  71 -18.821  -8.704 -17.159
  530   1HB   SER  71          HB2       SER  71 -19.692  -5.781 -16.973
  531   2HB   SER  71          HB3       SER  71 -18.970  -6.575 -18.382
  532    HG   SER  71           HG       SER  71 -21.255  -6.399 -18.539
  533    H    ILE  72           H        ILE  72 -16.602  -7.936 -17.593
  534    HA   ILE  72           HA       ILE  72 -15.277  -6.544 -15.366
  535    HB   ILE  72           HB       ILE  72 -13.683  -8.500 -15.223
  536   1HG1  ILE  72          HG12      ILE  72 -15.890 -10.058 -16.650
  537   2HG1  ILE  72          HG13      ILE  72 -14.352  -9.593 -17.383
  538   1HG2  ILE  72          HG21      ILE  72 -16.490  -9.262 -14.350
  539   2HG2  ILE  72          HG22      ILE  72 -14.946  -9.665 -13.574
  540   3HG2  ILE  72          HG23      ILE  72 -15.531  -8.001 -13.556
  541   1HD1  ILE  72          HD11      ILE  72 -14.291 -11.901 -16.658
  542   2HD1  ILE  72          HD12      ILE  72 -13.138 -10.932 -15.720
  543   3HD1  ILE  72          HD13      ILE  72 -14.686 -11.444 -14.996
  544    HA   PRO  73           HA       PRO  73 -12.809  -6.493 -14.889
  545   1HB   PRO  73          HB2       PRO  73 -11.118  -4.331 -15.176
  546   2HB   PRO  73          HB3       PRO  73 -10.633  -6.024 -15.438
  547   1HG   PRO  73          HG2       PRO  73 -11.376  -3.940 -17.485
  548   2HG   PRO  73          HG3       PRO  73 -10.092  -5.191 -17.572
  549   1HD   PRO  73          HD2       PRO  73 -12.534  -5.445 -18.817
  550   2HD   PRO  73          HD3       PRO  73 -11.603  -6.841 -18.199
  551    H    THR  74           H        THR  74 -13.710  -5.176 -13.322
  552    HA   THR  74           HA       THR  74 -14.949  -2.604 -14.174
  553    HB   THR  74           HB       THR  74 -16.289  -4.891 -12.684
  554    HG1  THR  74           HG1      THR  74 -17.190  -5.160 -14.525
  555   1HG2  THR  74          HG21      THR  74 -17.190  -1.990 -12.980
  556   2HG2  THR  74          HG22      THR  74 -18.262  -3.327 -12.529
  557   3HG2  THR  74          HG23      THR  74 -16.913  -2.888 -11.473
  558    H    LEU  75           H        LEU  75 -14.502  -0.997 -12.802
  559    HA   LEU  75           HA       LEU  75 -12.873  -1.651 -10.387
  560   1HB   LEU  75          HB2       LEU  75 -12.745   0.845 -12.117
  561   2HB   LEU  75          HB3       LEU  75 -11.750   0.461 -10.718
  562    HG   LEU  75           HG       LEU  75 -11.709  -0.890 -13.447
  563   1HD1  LEU  75          HD11      LEU  75 -10.624   1.321 -13.283
  564   2HD1  LEU  75          HD12      LEU  75  -9.621   0.741 -11.936
  565   3HD1  LEU  75          HD13      LEU  75  -9.436   0.040 -13.554
  566   1HD2  LEU  75          HD21      LEU  75  -9.745  -2.182 -12.590
  567   2HD2  LEU  75          HD22      LEU  75 -10.156  -1.647 -10.942
  568   3HD2  LEU  75          HD23      LEU  75 -11.281  -2.655 -11.878
  569    H    LEU  76           H        LEU  76 -14.154  -1.348  -8.645
  570    HA   LEU  76           HA       LEU  76 -16.171   0.878  -8.661
  571   1HB   LEU  76          HB2       LEU  76 -15.725  -1.535  -6.896
  572   2HB   LEU  76          HB3       LEU  76 -16.356  -0.053  -6.186
  573    HG   LEU  76           HG       LEU  76 -18.218   0.026  -7.711
  574   1HD1  LEU  76          HD11      LEU  76 -17.285  -1.118  -9.689
  575   2HD1  LEU  76          HD12      LEU  76 -17.254  -2.655  -8.801
  576   3HD1  LEU  76          HD13      LEU  76 -18.801  -1.865  -9.180
  577   1HD2  LEU  76          HD21      LEU  76 -18.431  -1.146  -5.551
  578   2HD2  LEU  76          HD22      LEU  76 -19.496  -1.826  -6.786
  579   3HD2  LEU  76          HD23      LEU  76 -18.008  -2.679  -6.338
  580    H    VAL  77           H        VAL  77 -15.882   2.577  -7.148
  581    HA   VAL  77           HA       VAL  77 -13.296   2.622  -5.690
  582    HB   VAL  77           HB       VAL  77 -14.625   5.083  -6.860
  583   1HG1  VAL  77          HG11      VAL  77 -13.205   5.459  -4.863
  584   2HG1  VAL  77          HG12      VAL  77 -11.853   4.634  -5.664
  585   3HG1  VAL  77          HG13      VAL  77 -12.475   6.169  -6.307
  586   1HG2  VAL  77          HG21      VAL  77 -12.252   3.528  -7.983
  587   2HG2  VAL  77          HG22      VAL  77 -13.808   3.819  -8.790
  588   3HG2  VAL  77          HG23      VAL  77 -12.716   5.169  -8.484
  589    H    LEU  78           H        LEU  78 -13.612   3.038  -3.573
  590    HA   LEU  78           HA       LEU  78 -16.313   3.732  -2.566
  591   1HB   LEU  78          HB2       LEU  78 -14.617   1.438  -1.476
  592   2HB   LEU  78          HB3       LEU  78 -16.164   1.993  -0.880
  593    HG   LEU  78           HG       LEU  78 -16.922   1.361  -3.420
  594   1HD1  LEU  78          HD11      LEU  78 -15.855  -0.798  -4.045
  595   2HD1  LEU  78          HD12      LEU  78 -14.718   0.552  -4.149
  596   3HD1  LEU  78          HD13      LEU  78 -14.644  -0.559  -2.776
  597   1HD2  LEU  78          HD21      LEU  78 -17.779  -0.761  -2.546
  598   2HD2  LEU  78          HD22      LEU  78 -16.686  -0.659  -1.157
  599   3HD2  LEU  78          HD23      LEU  78 -17.987   0.529  -1.360
  600    H    LYS  79           H        LYS  79 -16.165   4.507  -0.295
  601    HA   LYS  79           HA       LYS  79 -13.447   5.180   0.644
  602   1HB   LYS  79          HB2       LYS  79 -14.246   7.017  -0.899
  603   2HB   LYS  79          HB3       LYS  79 -15.584   7.321   0.218
  604   1HG   LYS  79          HG2       LYS  79 -13.988   7.921   2.003
  605   2HG   LYS  79          HG3       LYS  79 -12.628   7.442   0.968
  606   1HD   LYS  79          HD2       LYS  79 -13.373   9.181  -0.703
  607   2HD   LYS  79          HD3       LYS  79 -14.571   9.745   0.477
  608   1HE   LYS  79          HE2       LYS  79 -12.791  10.373   2.047
  609   2HE   LYS  79          HE3       LYS  79 -11.578   9.589   1.029
  610   1HZ   LYS  79          HZ1       LYS  79 -12.242  11.193  -0.739
  611   2HZ   LYS  79          HZ2       LYS  79 -13.025  12.075   0.419
  612   3HZ   LYS  79          HZ3       LYS  79 -11.387  11.810   0.471
  613    H    ASP  80           H        ASP  80 -13.386   4.773   2.771
  614    HA   ASP  80           HA       ASP  80 -13.855   4.388   4.874
  615   1HB   ASP  80          HB2       ASP  80 -14.394   6.770   4.852
  616   2HB   ASP  80          HB3       ASP  80 -16.083   6.409   4.499
  617    H    GLY  81           H        GLY  81 -16.499   3.667   2.728
  618   1HA   GLY  81          HA2       GLY  81 -16.911   1.136   3.593
  619   2HA   GLY  81          HA3       GLY  81 -18.007   2.063   4.630
  620    H    GLU  82           H        GLU  82 -17.939   3.797   1.682
  621    HA   GLU  82           HA       GLU  82 -20.176   2.202   0.564
  622   1HB   GLU  82          HB2       GLU  82 -21.491   4.178   0.456
  623   2HB   GLU  82          HB3       GLU  82 -20.859   4.035   2.105
  624   1HG   GLU  82          HG2       GLU  82 -19.114   5.735   1.573
  625   2HG   GLU  82          HG3       GLU  82 -19.804   5.924  -0.041
  626    H    VAL  83           H        VAL  83 -20.570   2.540  -1.680
  627    HA   VAL  83           HA       VAL  83 -18.250   2.962  -3.339
  628    HB   VAL  83           HB       VAL  83 -21.194   2.776  -4.078
  629   1HG1  VAL  83          HG11      VAL  83 -18.679   2.303  -5.744
  630   2HG1  VAL  83          HG12      VAL  83 -20.340   1.974  -6.279
  631   3HG1  VAL  83          HG13      VAL  83 -19.846   3.631  -5.948
  632   1HG2  VAL  83          HG21      VAL  83 -19.138   0.537  -3.959
  633   2HG2  VAL  83          HG22      VAL  83 -20.508   0.729  -2.843
  634   3HG2  VAL  83          HG23      VAL  83 -20.802   0.394  -4.547
  635    H    VAL  84           H        VAL  84 -17.649   4.663  -4.453
  636    HA   VAL  84           HA       VAL  84 -19.304   7.124  -4.422
  637    HB   VAL  84           HB       VAL  84 -17.279   8.471  -4.376
  638   1HG1  VAL  84          HG11      VAL  84 -18.438   7.914  -2.248
  639   2HG1  VAL  84          HG12      VAL  84 -17.331   6.546  -2.009
  640   3HG1  VAL  84          HG13      VAL  84 -16.706   8.207  -2.029
  641   1HG2  VAL  84          HG21      VAL  84 -15.646   6.855  -5.341
  642   2HG2  VAL  84          HG22      VAL  84 -15.082   7.581  -3.832
  643   3HG2  VAL  84          HG23      VAL  84 -15.701   5.925  -3.821
  644    H    GLU  85           H        GLU  85 -17.482   4.754  -6.336
  645    HA   GLU  85           HA       GLU  85 -18.745   5.939  -8.663
  646   1HB   GLU  85          HB2       GLU  85 -16.639   7.308  -8.382
  647   2HB   GLU  85          HB3       GLU  85 -15.695   5.847  -8.620
  648   1HG   GLU  85          HG2       GLU  85 -15.812   7.300 -10.598
  649   2HG   GLU  85          HG3       GLU  85 -16.405   5.683 -10.918
  650    H    THR  86           H        THR  86 -18.365   4.630 -10.661
  651    HA   THR  86           HA       THR  86 -17.179   1.964 -10.327
  652    HB   THR  86           HB       THR  86 -20.086   2.483 -11.087
  653    HG1  THR  86           HG1      THR  86 -19.071   2.135  -8.816
  654   1HG2  THR  86          HG21      THR  86 -18.475  -0.091 -11.307
  655   2HG2  THR  86          HG22      THR  86 -20.253  -0.033 -11.284
  656   3HG2  THR  86          HG23      THR  86 -19.357   0.753 -12.590
  657    H    SER  87           H        SER  87 -16.201   1.344 -12.212
  658    HA   SER  87           HA       SER  87 -16.762   2.731 -14.779
  659   1HB   SER  87          HB2       SER  87 -14.016   2.424 -13.476
  660   2HB   SER  87          HB3       SER  87 -14.343   3.107 -15.077
  661    HG   SER  87           HG       SER  87 -14.066   4.718 -13.467
  662    H    VAL  88           H        VAL  88 -15.954   1.438 -16.631
  663    HA   VAL  88           HA       VAL  88 -15.375  -1.410 -15.979
  664    HB   VAL  88           HB       VAL  88 -17.467  -0.425 -17.963
  665   1HG1  VAL  88          HG11      VAL  88 -18.123  -2.831 -18.076
  666   2HG1  VAL  88          HG12      VAL  88 -16.491  -2.556 -18.677
  667   3HG1  VAL  88          HG13      VAL  88 -16.728  -3.243 -17.055
  668   1HG2  VAL  88          HG21      VAL  88 -18.355  -0.084 -15.705
  669   2HG2  VAL  88          HG22      VAL  88 -19.147  -1.469 -16.447
  670   3HG2  VAL  88          HG23      VAL  88 -17.871  -1.731 -15.241
  671    H    GLY  89           H        GLY  89 -14.062  -2.439 -17.470
  672   1HA   GLY  89          HA2       GLY  89 -13.025  -2.813 -19.514
  673   2HA   GLY  89          HA3       GLY  89 -13.438  -1.190 -20.066
  674    H    PHE  90           H        PHE  90 -11.012  -1.886 -20.699
  675    HA   PHE  90           HA       PHE  90  -8.917  -1.454 -18.797
  676   1HB   PHE  90          HB2       PHE  90  -8.603  -2.616 -20.945
  677   2HB   PHE  90          HB3       PHE  90  -8.988  -1.140 -21.823
  678    HD1  PHE  90           HD1      PHE  90  -7.382   0.743 -21.929
  679    HD2  PHE  90           HD2      PHE  90  -6.429  -2.908 -19.833
  680    HE1  PHE  90           HE1      PHE  90  -5.002   1.428 -21.816
  681    HE2  PHE  90           HE2      PHE  90  -4.043  -2.219 -19.742
  682    HZ   PHE  90           HZ       PHE  90  -3.329  -0.053 -20.720
  683    H    LYS  91           H        LYS  91  -7.745   0.426 -18.306
  684    HA   LYS  91           HA       LYS  91  -8.270   2.919 -19.703
  685   1HB   LYS  91          HB2       LYS  91  -8.994   2.464 -16.801
  686   2HB   LYS  91          HB3       LYS  91  -8.204   3.985 -17.222
  687   1HG   LYS  91          HG2       LYS  91  -9.921   4.454 -18.917
  688   2HG   LYS  91          HG3       LYS  91 -10.771   2.953 -18.478
  689   1HD   LYS  91          HD2       LYS  91 -10.996   3.799 -16.135
  690   2HD   LYS  91          HD3       LYS  91 -10.275   5.334 -16.627
  691   1HE   LYS  91          HE2       LYS  91 -12.840   4.119 -17.769
  692   2HE   LYS  91          HE3       LYS  91 -12.783   5.353 -16.509
  693   1HZ   LYS  91          HZ1       LYS  91 -11.734   6.855 -18.102
  694   2HZ   LYS  91          HZ2       LYS  91 -11.809   5.720 -19.283
  695   3HZ   LYS  91          HZ3       LYS  91 -13.173   6.342 -18.656
  696    HA   PRO  92           HA       PRO  92  -3.875   2.949 -18.863
  697   1HB   PRO  92          HB2       PRO  92  -3.211   5.529 -19.438
  698   2HB   PRO  92          HB3       PRO  92  -3.783   4.388 -20.698
  699   1HG   PRO  92          HG2       PRO  92  -5.409   6.465 -19.207
  700   2HG   PRO  92          HG3       PRO  92  -5.327   6.184 -20.976
  701   1HD   PRO  92          HD2       PRO  92  -7.304   5.112 -19.414
  702   2HD   PRO  92          HD3       PRO  92  -6.637   4.237 -20.826
  703    H    LYS  93           H        LYS  93  -2.288   3.841 -17.310
  704    HA   LYS  93           HA       LYS  93  -3.320   4.081 -14.710
  705   1HB   LYS  93          HB2       LYS  93  -0.966   3.387 -15.427
  706   2HB   LYS  93          HB3       LYS  93  -0.630   5.083 -15.718
  707   1HG   LYS  93          HG2       LYS  93  -1.581   5.097 -13.057
  708   2HG   LYS  93          HG3       LYS  93  -0.806   3.528 -13.183
  709   1HD   LYS  93          HD2       LYS  93   0.938   4.936 -12.503
  710   2HD   LYS  93          HD3       LYS  93   1.188   4.798 -14.257
  711   1HE   LYS  93          HE2       LYS  93   0.028   6.965 -14.595
  712   2HE   LYS  93          HE3       LYS  93  -0.250   7.101 -12.853
  713   1HZ   LYS  93          HZ1       LYS  93   2.445   7.010 -14.088
  714   2HZ   LYS  93          HZ2       LYS  93   1.681   8.379 -13.648
  715   3HZ   LYS  93          HZ3       LYS  93   2.116   7.309 -12.503
  716    H    GLU  94           H        GLU  94  -2.290   6.669 -16.983
  717    HA   GLU  94           HA       GLU  94  -2.429   8.802 -15.210
  718   1HB   GLU  94          HB2       GLU  94  -1.459   8.758 -17.525
  719   2HB   GLU  94          HB3       GLU  94  -3.101   8.805 -18.186
  720   1HG   GLU  94          HG2       GLU  94  -3.485  10.977 -17.062
  721   2HG   GLU  94          HG3       GLU  94  -1.878  10.885 -16.331
  722    H    ALA  95           H        ALA  95  -5.070   7.252 -17.045
  723    HA   ALA  95           HA       ALA  95  -7.072   9.187 -16.284
  724   1HB   ALA  95          HB1       ALA  95  -7.314   7.729 -18.262
  725   2HB   ALA  95          HB2       ALA  95  -7.315   6.296 -17.198
  726   3HB   ALA  95          HB3       ALA  95  -8.643   7.472 -17.108
  727    H    LEU  96           H        LEU  96  -5.971   6.004 -15.043
  728    HA   LEU  96           HA       LEU  96  -7.994   5.809 -13.045
  729   1HB   LEU  96          HB2       LEU  96  -5.247   4.503 -13.138
  730   2HB   LEU  96          HB3       LEU  96  -6.567   4.097 -12.034
  731    HG   LEU  96           HG       LEU  96  -6.674   3.753 -15.050
  732   1HD1  LEU  96          HD11      LEU  96  -5.129   2.187 -13.865
  733   2HD1  LEU  96          HD12      LEU  96  -6.489   1.659 -12.848
  734   3HD1  LEU  96          HD13      LEU  96  -6.514   1.377 -14.603
  735   1HD2  LEU  96          HD21      LEU  96  -8.676   3.066 -12.859
  736   2HD2  LEU  96          HD22      LEU  96  -8.920   4.167 -14.236
  737   3HD2  LEU  96          HD23      LEU  96  -8.750   2.432 -14.514
  738    H    GLN  97           H        GLN  97  -4.680   7.244 -12.947
  739    HA   GLN  97           HA       GLN  97  -4.908   7.710 -10.111
  740   1HB   GLN  97          HB2       GLN  97  -2.901   8.977 -10.208
  741   2HB   GLN  97          HB3       GLN  97  -2.731   7.524 -11.173
  742   1HG   GLN  97          HG2       GLN  97  -1.675   9.144 -12.448
  743   2HG   GLN  97          HG3       GLN  97  -3.247   8.955 -13.198
  744   1HE2  GLN  97          HE22      GLN  97  -4.132  10.904 -13.840
  745   2HE2  GLN  97          HE21      GLN  97  -3.832  12.443 -13.053
  746    H    GLU  98           H        GLU  98  -5.970   9.492 -12.988
  747    HA   GLU  98           HA       GLU  98  -6.551  11.926 -11.601
  748   1HB   GLU  98          HB2       GLU  98  -6.423  11.736 -14.087
  749   2HB   GLU  98          HB3       GLU  98  -7.867  10.732 -14.077
  750   1HG   GLU  98          HG2       GLU  98  -8.599  12.887 -14.665
  751   2HG   GLU  98          HG3       GLU  98  -9.128  12.630 -13.011
  752    H    LEU  99           H        LEU  99  -8.447   9.003 -12.434
  753    HA   LEU  99           HA       LEU  99 -10.870   9.645 -11.139
  754   1HB   LEU  99          HB2       LEU  99 -10.695   7.761 -12.640
  755   2HB   LEU  99          HB3       LEU  99  -9.476   6.994 -11.634
  756    HG   LEU  99           HG       LEU  99 -11.139   6.627  -9.832
  757   1HD1  LEU  99          HD11      LEU  99 -13.163   7.677 -11.863
  758   2HD1  LEU  99          HD12      LEU  99 -13.534   6.899 -10.307
  759   3HD1  LEU  99          HD13      LEU  99 -12.729   8.467 -10.332
  760   1HD2  LEU  99          HD21      LEU  99 -10.667   4.876 -11.470
  761   2HD2  LEU  99          HD22      LEU  99 -12.376   4.839 -11.013
  762   3HD2  LEU  99          HD23      LEU  99 -11.891   5.537 -12.574
  763    H    VAL 100           H        VAL 100  -7.949   8.032  -9.774
  764    HA   VAL 100           HA       VAL 100  -9.055   7.690  -7.171
  765    HB   VAL 100           HB       VAL 100  -6.229   7.765  -8.272
  766   1HG1  VAL 100          HG11      VAL 100  -7.020   7.363  -5.362
  767   2HG1  VAL 100          HG12      VAL 100  -5.473   6.831  -6.053
  768   3HG1  VAL 100          HG13      VAL 100  -5.880   8.544  -6.028
  769   1HG2  VAL 100          HG21      VAL 100  -7.895   5.515  -7.051
  770   2HG2  VAL 100          HG22      VAL 100  -7.713   5.797  -8.783
  771   3HG2  VAL 100          HG23      VAL 100  -6.297   5.365  -7.821
  772    H    ASN 101           H        ASN 101  -6.909  10.329  -8.451
  773    HA   ASN 101           HA       ASN 101  -6.889  11.644  -5.942
  774   1HB   ASN 101          HB2       ASN 101  -5.425  13.044  -6.816
  775   2HB   ASN 101          HB3       ASN 101  -5.424  11.958  -8.199
  776   1HD2  ASN 101          HD22      ASN 101  -7.299  12.525  -9.857
  777   2HD2  ASN 101          HD21      ASN 101  -7.295  14.188 -10.355
  778    H    LYS 102           H        LYS 102  -9.250  11.791  -8.513
  779    HA   LYS 102           HA       LYS 102 -10.665  14.091  -7.535
  780   1HB   LYS 102          HB2       LYS 102 -11.493  11.702  -9.224
  781   2HB   LYS 102          HB3       LYS 102 -12.633  12.971  -8.769
  782   1HG   LYS 102          HG2       LYS 102 -11.339  14.682  -9.887
  783   2HG   LYS 102          HG3       LYS 102 -10.008  13.571 -10.189
  784   1HD   LYS 102          HD2       LYS 102 -11.253  13.893 -12.229
  785   2HD   LYS 102          HD3       LYS 102 -11.441  12.217 -11.686
  786   1HE   LYS 102          HE2       LYS 102 -13.673  12.765 -10.745
  787   2HE   LYS 102          HE3       LYS 102 -13.465  14.459 -11.207
  788   1HZ   LYS 102          HZ1       LYS 102 -14.808  13.262 -12.810
  789   2HZ   LYS 102          HZ2       LYS 102 -13.434  13.757 -13.528
  790   3HZ   LYS 102          HZ3       LYS 102 -13.620  12.187 -13.106
  791    H    HIS 103           H        HIS 103 -10.519  10.779  -6.280
  792    HA   HIS 103           HA       HIS 103 -12.817  11.408  -4.483
  793   1HB   HIS 103          HB2       HIS 103 -11.635   8.759  -5.366
  794   2HB   HIS 103          HB3       HIS 103 -12.871   8.934  -4.122
  795    HD1  HIS 103           HD1      HIS 103 -15.173  10.441  -5.137
  796    HD2  HIS 103           HD2      HIS 103 -12.618   8.351  -7.747
  797    HE1  HIS 103           HE1      HIS 103 -16.458  10.141  -7.313
  798    H    LEU 104           H        LEU 104  -9.352  11.088  -4.415
  799    HA   LEU 104           HA       LEU 104  -9.002  10.345  -1.703
  800   1HB   LEU 104          HB2       LEU 104  -7.421  12.332  -3.379
  801   2HB   LEU 104          HB3       LEU 104  -6.962  11.809  -1.767
  802    HG   LEU 104           HG       LEU 104  -7.105  10.042  -4.236
  803   1HD1  LEU 104          HD11      LEU 104  -5.174  11.575  -4.143
  804   2HD1  LEU 104          HD12      LEU 104  -4.760  10.953  -2.533
  805   3HD1  LEU 104          HD13      LEU 104  -4.681   9.886  -3.956
  806   1HD2  LEU 104          HD21      LEU 104  -6.458   9.299  -1.359
  807   2HD2  LEU 104          HD22      LEU 104  -7.745   8.636  -2.392
  808   3HD2  LEU 104          HD23      LEU 104  -6.060   8.293  -2.771
  Start of MODEL    5
    1   1H    MET   1          H1        MET   1   2.257   0.929  -2.233
    2   2H    MET   1          H2        MET   1   2.344  -0.195  -3.447
    3   3H    MET   1          H3        MET   1   1.046  -0.164  -2.477
    4    HA   MET   1           HA       MET   1   3.788  -0.771  -1.606
    5   1HB   MET   1          HB2       MET   1   1.152  -0.948  -0.094
    6   2HB   MET   1          HB3       MET   1   2.651  -1.728   0.427
    7   1HG   MET   1          HG2       MET   1   3.787   0.491   0.433
    8   2HG   MET   1          HG3       MET   1   2.244   1.264   0.071
    9   1HE   MET   1          HE1       MET   1   0.167   0.695   3.330
   10   2HE   MET   1          HE2       MET   1   0.187   1.310   1.662
   11   3HE   MET   1          HE3       MET   1   0.158  -0.441   1.967
   12    H    ALA   2           H        ALA   2   0.612  -2.552  -1.546
   13    HA   ALA   2           HA       ALA   2   1.427  -4.310  -3.667
   14   1HB   ALA   2          HB1       ALA   2   2.592  -5.466  -1.784
   15   2HB   ALA   2          HB2       ALA   2   1.086  -5.441  -0.833
   16   3HB   ALA   2          HB3       ALA   2   1.184  -6.400  -2.325
   17    H    ILE   3           H        ILE   3  -0.397  -5.296  -4.521
   18    HA   ILE   3           HA       ILE   3  -2.942  -4.077  -3.826
   19    HB   ILE   3           HB       ILE   3  -2.054  -6.144  -5.893
   20   1HG1  ILE   3          HG12      ILE   3  -2.731  -3.172  -6.125
   21   2HG1  ILE   3          HG13      ILE   3  -1.107  -3.835  -6.123
   22   1HG2  ILE   3          HG21      ILE   3  -4.764  -4.778  -5.584
   23   2HG2  ILE   3          HG22      ILE   3  -4.261  -5.712  -7.012
   24   3HG2  ILE   3          HG23      ILE   3  -4.429  -6.513  -5.462
   25   1HD1  ILE   3          HD11      ILE   3  -1.643  -3.361  -8.353
   26   2HD1  ILE   3          HD12      ILE   3  -1.643  -5.127  -8.178
   27   3HD1  ILE   3          HD13      ILE   3  -3.187  -4.221  -8.275
   28    H    VAL   4           H        VAL   4  -4.742  -5.155  -3.018
   29    HA   VAL   4           HA       VAL   4  -4.114  -7.463  -1.252
   30    HB   VAL   4           HB       VAL   4  -6.303  -5.353  -1.104
   31   1HG1  VAL   4          HG11      VAL   4  -7.006  -7.277   0.193
   32   2HG1  VAL   4          HG12      VAL   4  -5.399  -7.401   0.963
   33   3HG1  VAL   4          HG13      VAL   4  -6.474  -6.031   1.302
   34   1HG2  VAL   4          HG21      VAL   4  -3.629  -5.493   0.356
   35   2HG2  VAL   4          HG22      VAL   4  -4.154  -4.233  -0.783
   36   3HG2  VAL   4          HG23      VAL   4  -4.948  -4.382   0.777
   37    H    LYS   5           H        LYS   5  -6.174  -8.887  -0.875
   38    HA   LYS   5           HA       LYS   5  -7.762  -9.300  -3.363
   39   1HB   LYS   5          HB2       LYS   5  -6.166 -11.384  -1.794
   40   2HB   LYS   5          HB3       LYS   5  -7.585 -11.793  -2.727
   41   1HG   LYS   5          HG2       LYS   5  -5.673 -12.358  -3.993
   42   2HG   LYS   5          HG3       LYS   5  -6.562 -11.090  -4.804
   43   1HD   LYS   5          HD2       LYS   5  -4.080 -10.933  -4.970
   44   2HD   LYS   5          HD3       LYS   5  -4.829  -9.473  -4.350
   45   1HE   LYS   5          HE2       LYS   5  -4.208 -10.078  -2.048
   46   2HE   LYS   5          HE3       LYS   5  -3.595 -11.643  -2.599
   47   1HZ   LYS   5          HZ1       LYS   5  -2.417  -8.988  -3.223
   48   2HZ   LYS   5          HZ2       LYS   5  -1.775 -10.154  -2.287
   49   3HZ   LYS   5          HZ3       LYS   5  -1.906 -10.405  -3.889
   50    H    ALA   6           H        ALA   6  -9.928  -9.849  -2.823
   51    HA   ALA   6           HA       ALA   6 -10.517 -10.576  -0.032
   52   1HB   ALA   6          HB1       ALA   6 -11.920  -8.237  -1.396
   53   2HB   ALA   6          HB2       ALA   6 -12.226  -8.867   0.234
   54   3HB   ALA   6          HB3       ALA   6 -10.688  -8.068  -0.117
   55    H    THR   7           H        THR   7 -12.941 -11.055   0.183
   56    HA   THR   7           HA       THR   7 -14.233 -11.959  -2.283
   57    HB   THR   7           HB       THR   7 -14.948 -14.054  -1.027
   58    HG1  THR   7           HG1      THR   7 -12.732 -13.440   0.634
   59   1HG2  THR   7          HG21      THR   7 -11.946 -13.907  -1.548
   60   2HG2  THR   7          HG22      THR   7 -12.956 -15.368  -1.490
   61   3HG2  THR   7          HG23      THR   7 -13.195 -14.178  -2.778
   62    H    ASP   8           H        ASP   8 -16.679 -12.353  -1.645
   63    HA   ASP   8           HA       ASP   8 -17.768 -10.088  -0.463
   64   1HB   ASP   8          HB2       ASP   8 -18.970 -11.949  -1.806
   65   2HB   ASP   8          HB3       ASP   8 -19.109 -12.809  -0.291
   66    H    GLN   9           H        GLN   9 -16.468 -12.874   1.136
   67    HA   GLN   9           HA       GLN   9 -17.817 -12.787   3.611
   68   1HB   GLN   9          HB2       GLN   9 -15.022 -13.819   3.103
   69   2HB   GLN   9          HB3       GLN   9 -16.126 -14.294   4.394
   70   1HG   GLN   9          HG2       GLN   9 -16.401 -14.841   1.424
   71   2HG   GLN   9          HG3       GLN   9 -16.084 -16.022   2.684
   72   1HE2  GLN   9          HE22      GLN   9 -18.366 -15.592   0.577
   73   2HE2  GLN   9          HE21      GLN   9 -19.813 -15.761   1.529
   74    H    SER  10           H        SER  10 -14.958 -11.032   2.406
   75    HA   SER  10           HA       SER  10 -14.782  -9.541   4.994
   76   1HB   SER  10          HB2       SER  10 -12.401 -10.710   3.497
   77   2HB   SER  10          HB3       SER  10 -12.378  -9.870   5.055
   78    HG   SER  10           HG       SER  10 -12.283 -12.147   5.286
   79    H    PHE  11           H        PHE  11 -14.995  -9.272   1.649
   80    HA   PHE  11           HA       PHE  11 -13.470  -7.056   0.930
   81   1HB   PHE  11          HB2       PHE  11 -14.813  -8.316  -0.628
   82   2HB   PHE  11          HB3       PHE  11 -16.294  -7.967   0.249
   83    HD1  PHE  11           HD1      PHE  11 -14.029  -6.858  -2.364
   84    HD2  PHE  11           HD2      PHE  11 -17.250  -5.618   0.231
   85    HE1  PHE  11           HE1      PHE  11 -14.598  -5.030  -3.924
   86    HE2  PHE  11           HE2      PHE  11 -17.732  -3.729  -1.281
   87    HZ   PHE  11           HZ       PHE  11 -16.448  -3.449  -3.392
   88    H    SER  12           H        SER  12 -16.534  -7.143   2.837
   89    HA   SER  12           HA       SER  12 -16.912  -4.349   2.776
   90   1HB   SER  12          HB2       SER  12 -17.841  -6.268   4.948
   91   2HB   SER  12          HB3       SER  12 -18.610  -4.751   4.445
   92    HG   SER  12           HG       SER  12 -19.636  -6.602   3.546
   93    H    ALA  13           H        ALA  13 -15.010  -6.376   4.996
   94    HA   ALA  13           HA       ALA  13 -14.501  -4.259   6.887
   95   1HB   ALA  13          HB1       ALA  13 -12.944  -6.827   6.322
   96   2HB   ALA  13          HB2       ALA  13 -12.729  -5.759   7.720
   97   3HB   ALA  13          HB3       ALA  13 -14.256  -6.637   7.511
   98    H    GLU  14           H        GLU  14 -12.776  -5.668   4.060
   99    HA   GLU  14           HA       GLU  14 -10.454  -4.074   4.315
  100   1HB   GLU  14          HB2       GLU  14 -11.713  -5.514   1.944
  101   2HB   GLU  14          HB3       GLU  14 -10.174  -4.670   1.806
  102   1HG   GLU  14          HG2       GLU  14 -10.771  -6.897   3.785
  103   2HG   GLU  14          HG3       GLU  14  -9.943  -7.111   2.237
  104    H    THR  15           H        THR  15 -13.494  -3.460   2.523
  105    HA   THR  15           HA       THR  15 -12.415  -1.104   1.291
  106    HB   THR  15           HB       THR  15 -14.775  -0.839   0.472
  107    HG1  THR  15           HG1      THR  15 -15.096  -3.447   1.516
  108   1HG2  THR  15          HG21      THR  15 -14.586  -2.921  -0.990
  109   2HG2  THR  15          HG22      THR  15 -13.162  -1.888  -0.952
  110   3HG2  THR  15          HG23      THR  15 -13.182  -3.402  -0.031
  111    H    SER  16           H        SER  16 -13.169  -1.524   4.454
  112    HA   SER  16           HA       SER  16 -14.479   1.125   4.772
  113   1HB   SER  16          HB2       SER  16 -14.482  -1.299   6.604
  114   2HB   SER  16          HB3       SER  16 -15.265   0.257   6.941
  115    HG   SER  16           HG       SER  16 -15.950  -1.749   5.134
  116    H    GLU  17           H        GLU  17 -11.638   0.863   4.303
  117    HA   GLU  17           HA       GLU  17 -10.682   2.086   6.859
  118   1HB   GLU  17          HB2       GLU  17  -9.129   0.202   5.038
  119   2HB   GLU  17          HB3       GLU  17  -8.492   1.010   6.477
  120   1HG   GLU  17          HG2       GLU  17 -10.254  -0.178   7.843
  121   2HG   GLU  17          HG3       GLU  17 -10.638  -1.134   6.403
  122    H    GLY  18           H        GLY  18 -11.336   2.871   3.676
  123   1HA   GLY  18          HA2       GLY  18 -10.015   5.306   3.592
  124   2HA   GLY  18          HA3       GLY  18  -8.853   4.103   2.949
  125    H    VAL  19           H        VAL  19  -9.168   5.546   0.972
  126    HA   VAL  19           HA       VAL  19 -11.555   4.940  -0.645
  127    HB   VAL  19           HB       VAL  19  -8.831   6.121  -1.371
  128   1HG1  VAL  19          HG11      VAL  19  -9.881   6.729  -3.542
  129   2HG1  VAL  19          HG12      VAL  19  -9.807   4.977  -3.344
  130   3HG1  VAL  19          HG13      VAL  19 -11.345   5.828  -3.089
  131   1HG2  VAL  19          HG21      VAL  19 -10.123   8.217  -1.683
  132   2HG2  VAL  19          HG22      VAL  19 -11.582   7.405  -1.121
  133   3HG2  VAL  19          HG23      VAL  19 -10.208   7.653  -0.009
  134    H    VAL  20           H        VAL  20 -11.726   3.071  -1.847
  135    HA   VAL  20           HA       VAL  20  -9.354   1.317  -2.037
  136    HB   VAL  20           HB       VAL  20 -12.076   0.363  -1.074
  137   1HG1  VAL  20          HG11      VAL  20 -10.786  -1.744  -0.632
  138   2HG1  VAL  20          HG12      VAL  20 -10.870  -1.336  -2.350
  139   3HG1  VAL  20          HG13      VAL  20  -9.383  -1.015  -1.442
  140   1HG2  VAL  20          HG21      VAL  20 -10.576  -0.173   1.053
  141   2HG2  VAL  20          HG22      VAL  20  -9.575   1.136   0.455
  142   3HG2  VAL  20          HG23      VAL  20 -11.279   1.432   0.833
  143    H    LEU  21           H        LEU  21  -9.051   0.814  -4.061
  144    HA   LEU  21           HA       LEU  21 -11.217   1.056  -6.080
  145   1HB   LEU  21          HB2       LEU  21  -8.910   2.063  -6.389
  146   2HB   LEU  21          HB3       LEU  21  -8.215   0.457  -6.326
  147    HG   LEU  21           HG       LEU  21  -8.293   1.308  -8.555
  148   1HD1  LEU  21          HD11      LEU  21  -8.761  -1.176  -8.195
  149   2HD1  LEU  21          HD12      LEU  21 -10.456  -0.807  -8.598
  150   3HD1  LEU  21          HD13      LEU  21  -9.161  -0.473  -9.762
  151   1HD2  LEU  21          HD21      LEU  21 -10.209   2.860  -8.279
  152   2HD2  LEU  21          HD22      LEU  21 -10.282   1.911  -9.767
  153   3HD2  LEU  21          HD23      LEU  21 -11.320   1.475  -8.393
  154    H    ALA  22           H        ALA  22 -12.280  -0.844  -6.612
  155    HA   ALA  22           HA       ALA  22 -11.046  -3.456  -5.816
  156   1HB   ALA  22          HB1       ALA  22 -13.391  -4.243  -5.582
  157   2HB   ALA  22          HB2       ALA  22 -12.925  -3.027  -4.367
  158   3HB   ALA  22          HB3       ALA  22 -13.952  -2.566  -5.743
  159    H    ASP  23           H        ASP  23 -10.258  -4.278  -7.591
  160    HA   ASP  23           HA       ASP  23 -11.515  -3.887 -10.236
  161   1HB   ASP  23          HB2       ASP  23  -9.112  -3.740 -10.164
  162   2HB   ASP  23          HB3       ASP  23  -8.993  -5.262  -9.289
  163    H    PHE  24           H        PHE  24 -13.339  -4.961 -10.317
  164    HA   PHE  24           HA       PHE  24 -13.702  -7.721  -9.415
  165   1HB   PHE  24          HB2       PHE  24 -15.447  -5.662 -10.795
  166   2HB   PHE  24          HB3       PHE  24 -15.877  -7.352 -10.778
  167    HD1  PHE  24           HD1      PHE  24 -15.393  -4.360  -8.638
  168    HD2  PHE  24           HD2      PHE  24 -16.471  -8.534  -8.718
  169    HE1  PHE  24           HE1      PHE  24 -16.262  -4.197  -6.309
  170    HE2  PHE  24           HE2      PHE  24 -17.344  -8.362  -6.431
  171    HZ   PHE  24           HZ       PHE  24 -17.238  -6.186  -5.202
  172    H    TRP  25           H        TRP  25 -12.862  -9.323 -10.619
  173    HA   TRP  25           HA       TRP  25 -12.490  -8.966 -13.550
  174   1HB   TRP  25          HB2       TRP  25 -10.176  -9.349 -13.418
  175   2HB   TRP  25          HB3       TRP  25 -10.487  -8.128 -12.214
  176    HD1  TRP  25           HD1      TRP  25 -10.764  -9.283  -9.613
  177    HE1  TRP  25           HE1      TRP  25  -9.345 -11.095  -8.499
  178    HE3  TRP  25           HE3      TRP  25  -8.539 -11.235 -13.791
  179    HZ2  TRP  25           HZ2      TRP  25  -7.383 -13.063  -9.306
  180    HZ3  TRP  25           HZ3      TRP  25  -6.856 -13.035 -13.579
  181    HH2  TRP  25           HH2      TRP  25  -6.288 -13.976 -11.353
  182    H    ALA  26           H        ALA  26 -11.298 -11.098 -14.371
  183    HA   ALA  26           HA       ALA  26 -11.584 -13.475 -12.825
  184   1HB   ALA  26          HB1       ALA  26 -13.061 -14.729 -14.305
  185   2HB   ALA  26          HB2       ALA  26 -13.934 -13.288 -13.780
  186   3HB   ALA  26          HB3       ALA  26 -13.200 -13.354 -15.403
  187    HA   PRO  27           HA       PRO  27  -8.035 -13.951 -15.279
  188   1HB   PRO  27          HB2       PRO  27  -7.438 -16.614 -15.206
  189   2HB   PRO  27          HB3       PRO  27  -7.480 -15.599 -13.734
  190   1HG   PRO  27          HG2       PRO  27  -9.661 -17.415 -14.804
  191   2HG   PRO  27          HG3       PRO  27  -9.030 -17.308 -13.130
  192   1HD   PRO  27          HD2       PRO  27 -11.298 -16.000 -13.974
  193   2HD   PRO  27          HD3       PRO  27 -10.213 -15.319 -12.713
  194    H    TRP  28           H        TRP  28 -10.879 -15.554 -16.590
  195    HA   TRP  28           HA       TRP  28  -9.545 -16.356 -19.056
  196   1HB   TRP  28          HB2       TRP  28 -11.949 -16.806 -19.756
  197   2HB   TRP  28          HB3       TRP  28 -11.271 -17.744 -18.446
  198    HD1  TRP  28           HD1      TRP  28 -12.975 -14.288 -18.044
  199    HE1  TRP  28           HE1      TRP  28 -15.035 -14.540 -16.568
  200    HE3  TRP  28           HE3      TRP  28 -12.835 -19.359 -17.330
  201    HZ2  TRP  28           HZ2      TRP  28 -16.397 -16.659 -15.133
  202    HZ3  TRP  28           HZ3      TRP  28 -14.513 -20.461 -15.875
  203    HH2  TRP  28           HH2      TRP  28 -16.294 -19.123 -14.769
  204    H    CYS  29           H        CYS  29 -10.549 -13.318 -17.843
  205    HA   CYS  29           HA       CYS  29 -11.338 -12.250 -20.476
  206   1HB   CYS  29          HB2       CYS  29 -12.601 -11.501 -18.514
  207   2HB   CYS  29          HB3       CYS  29 -11.097 -11.019 -17.709
  208    HG   CYS  29           HG       CYS  29 -12.518  -9.870 -20.481
  209    H    GLY  30           H        GLY  30  -9.713 -11.559 -21.833
  210   1HA   GLY  30          HA2       GLY  30  -6.952 -11.438 -21.208
  211   2HA   GLY  30          HA3       GLY  30  -7.740 -10.694 -22.604
  212    HA   PRO  31           HA       PRO  31  -7.548  -6.578 -20.982
  213   1HB   PRO  31          HB2       PRO  31 -10.467  -6.672 -20.210
  214   2HB   PRO  31          HB3       PRO  31  -9.548  -5.308 -20.923
  215   1HG   PRO  31          HG2       PRO  31 -11.019  -6.918 -22.518
  216   2HG   PRO  31          HG3       PRO  31  -9.356  -6.469 -23.020
  217   1HD   PRO  31          HD2       PRO  31 -10.324  -9.052 -21.808
  218   2HD   PRO  31          HD3       PRO  31  -9.108  -8.787 -23.086
  219    H    CYS  32           H        CYS  32  -9.394  -8.643 -18.647
  220    HA   CYS  32           HA       CYS  32  -8.739  -7.206 -16.289
  221   1HB   CYS  32          HB2       CYS  32  -9.166 -10.200 -16.738
  222   2HB   CYS  32          HB3       CYS  32  -8.933  -9.454 -15.163
  223    HG   CYS  32           HG       CYS  32 -11.272  -8.734 -17.402
  224    H    LYS  33           H        LYS  33  -6.762  -9.507 -18.174
  225    HA   LYS  33           HA       LYS  33  -4.702  -9.590 -16.060
  226   1HB   LYS  33          HB2       LYS  33  -4.851 -10.757 -18.871
  227   2HB   LYS  33          HB3       LYS  33  -3.455 -10.931 -17.796
  228   1HG   LYS  33          HG2       LYS  33  -4.792 -12.040 -16.092
  229   2HG   LYS  33          HG3       LYS  33  -6.281 -11.796 -17.005
  230   1HD   LYS  33          HD2       LYS  33  -3.949 -13.521 -17.933
  231   2HD   LYS  33          HD3       LYS  33  -5.420 -14.094 -17.130
  232   1HE   LYS  33          HE2       LYS  33  -6.714 -12.884 -19.025
  233   2HE   LYS  33          HE3       LYS  33  -5.162 -12.817 -19.880
  234   1HZ   LYS  33          HZ1       LYS  33  -6.587 -15.235 -18.952
  235   2HZ   LYS  33          HZ2       LYS  33  -6.389 -14.783 -20.514
  236   3HZ   LYS  33          HZ3       LYS  33  -5.094 -15.280 -19.651
  237    H    MET  34           H        MET  34  -5.166  -8.056 -19.319
  238    HA   MET  34           HA       MET  34  -2.543  -6.962 -19.235
  239   1HB   MET  34          HB2       MET  34  -2.929  -6.035 -21.277
  240   2HB   MET  34          HB3       MET  34  -4.059  -7.383 -21.268
  241   1HG   MET  34          HG2       MET  34  -5.806  -5.611 -20.480
  242   2HG   MET  34          HG3       MET  34  -4.607  -4.423 -20.981
  243   1HE   MET  34          HE1       MET  34  -7.224  -4.167 -23.881
  244   2HE   MET  34          HE2       MET  34  -7.517  -4.382 -22.143
  245   3HE   MET  34          HE3       MET  34  -6.247  -3.266 -22.703
  246    H    ILE  35           H        ILE  35  -5.557  -5.724 -17.802
  247    HA   ILE  35           HA       ILE  35  -4.387  -3.111 -17.306
  248    HB   ILE  35           HB       ILE  35  -6.853  -3.630 -17.504
  249   1HG1  ILE  35          HG12      ILE  35  -5.870  -1.985 -15.142
  250   2HG1  ILE  35          HG13      ILE  35  -6.022  -1.466 -16.821
  251   1HG2  ILE  35          HG21      ILE  35  -6.664  -4.471 -14.589
  252   2HG2  ILE  35          HG22      ILE  35  -8.117  -4.385 -15.607
  253   3HG2  ILE  35          HG23      ILE  35  -6.879  -5.583 -15.955
  254   1HD1  ILE  35          HD11      ILE  35  -8.534  -1.918 -16.600
  255   2HD1  ILE  35          HD12      ILE  35  -8.249  -2.121 -14.860
  256   3HD1  ILE  35          HD13      ILE  35  -7.886  -0.572 -15.638
  257    H    ALA  36           H        ALA  36  -3.899  -6.228 -15.812
  258    HA   ALA  36           HA       ALA  36  -3.623  -5.476 -13.131
  259   1HB   ALA  36          HB1       ALA  36  -2.040  -7.639 -14.569
  260   2HB   ALA  36          HB2       ALA  36  -2.326  -7.504 -12.828
  261   3HB   ALA  36          HB3       ALA  36  -3.686  -7.821 -13.926
  262    HA   PRO  37           HA       PRO  37   0.981  -4.366 -13.733
  263   1HB   PRO  37          HB2       PRO  37   1.799  -3.404 -16.212
  264   2HB   PRO  37          HB3       PRO  37   2.052  -5.069 -15.610
  265   1HG   PRO  37          HG2       PRO  37  -0.166  -4.047 -17.400
  266   2HG   PRO  37          HG3       PRO  37   0.827  -5.527 -17.597
  267   1HD   PRO  37          HD2       PRO  37  -1.631  -5.677 -16.540
  268   2HD   PRO  37          HD3       PRO  37  -0.307  -6.628 -15.823
  269    H    VAL  38           H        VAL  38  -1.611  -2.702 -15.585
  270    HA   VAL  38           HA       VAL  38  -0.597  -0.066 -15.123
  271    HB   VAL  38           HB       VAL  38  -3.508  -0.839 -15.591
  272   1HG1  VAL  38          HG11      VAL  38  -3.638   1.349 -16.657
  273   2HG1  VAL  38          HG12      VAL  38  -3.045   1.536 -15.004
  274   3HG1  VAL  38          HG13      VAL  38  -1.906   1.625 -16.370
  275   1HG2  VAL  38          HG21      VAL  38  -2.244  -1.955 -17.374
  276   2HG2  VAL  38          HG22      VAL  38  -3.025  -0.513 -18.020
  277   3HG2  VAL  38          HG23      VAL  38  -1.288  -0.483 -17.658
  278    H    LEU  39           H        LEU  39  -2.890  -2.230 -13.368
  279    HA   LEU  39           HA       LEU  39  -3.421  -0.375 -11.263
  280   1HB   LEU  39          HB2       LEU  39  -3.583  -3.402 -11.421
  281   2HB   LEU  39          HB3       LEU  39  -4.085  -2.495 -10.000
  282    HG   LEU  39           HG       LEU  39  -5.257  -1.944 -12.758
  283   1HD1  LEU  39          HD11      LEU  39  -7.181  -3.323 -12.078
  284   2HD1  LEU  39          HD12      LEU  39  -5.695  -4.271 -12.202
  285   3HD1  LEU  39          HD13      LEU  39  -6.320  -3.807 -10.598
  286   1HD2  LEU  39          HD21      LEU  39  -5.582  -0.140 -11.081
  287   2HD2  LEU  39          HD22      LEU  39  -7.107  -0.938 -11.474
  288   3HD2  LEU  39          HD23      LEU  39  -6.278  -1.316  -9.948
  289    H    GLU  40           H        GLU  40  -0.773  -2.769 -11.751
  290    HA   GLU  40           HA       GLU  40   0.332  -2.344  -9.135
  291   1HB   GLU  40          HB2       GLU  40   1.569  -3.356 -11.717
  292   2HB   GLU  40          HB3       GLU  40   2.467  -3.203 -10.205
  293   1HG   GLU  40          HG2       GLU  40   0.856  -4.687  -9.061
  294   2HG   GLU  40          HG3       GLU  40  -0.052  -4.883 -10.558
  295    H    GLU  41           H        GLU  41   0.791  -0.589 -12.239
  296    HA   GLU  41           HA       GLU  41   2.764   1.209 -11.182
  297   1HB   GLU  41          HB2       GLU  41   0.779   1.539 -13.460
  298   2HB   GLU  41          HB3       GLU  41   1.991   2.738 -13.029
  299   1HG   GLU  41          HG2       GLU  41   2.579  -0.106 -13.936
  300   2HG   GLU  41          HG3       GLU  41   2.713   1.343 -14.916
  301    H    LEU  42           H        LEU  42  -0.832   1.266 -11.185
  302    HA   LEU  42           HA       LEU  42  -1.032   3.801  -9.914
  303   1HB   LEU  42          HB2       LEU  42  -2.871   2.538 -11.122
  304   2HB   LEU  42          HB3       LEU  42  -2.960   1.459  -9.729
  305    HG   LEU  42           HG       LEU  42  -3.486   3.480  -8.286
  306   1HD1  LEU  42          HD11      LEU  42  -4.356   5.503  -9.445
  307   2HD1  LEU  42          HD12      LEU  42  -2.623   5.303  -9.678
  308   3HD1  LEU  42          HD13      LEU  42  -3.740   4.877 -10.991
  309   1HD2  LEU  42          HD21      LEU  42  -5.850   3.642  -9.155
  310   2HD2  LEU  42          HD22      LEU  42  -5.320   2.711 -10.577
  311   3HD2  LEU  42          HD23      LEU  42  -5.249   1.991  -8.967
  312    H    ASP  43           H        ASP  43  -0.665   0.486  -8.588
  313    HA   ASP  43           HA       ASP  43  -0.989   1.171  -5.848
  314   1HB   ASP  43          HB2       ASP  43  -1.075  -1.145  -6.487
  315   2HB   ASP  43          HB3       ASP  43   0.538  -1.077  -7.202
  316    H    GLN  44           H        GLN  44   1.904   1.145  -8.000
  317    HA   GLN  44           HA       GLN  44   3.739   1.981  -5.969
  318   1HB   GLN  44          HB2       GLN  44   3.694   2.155  -8.990
  319   2HB   GLN  44          HB3       GLN  44   5.050   2.791  -8.050
  320   1HG   GLN  44          HG2       GLN  44   5.640   0.639  -7.206
  321   2HG   GLN  44          HG3       GLN  44   4.107  -0.081  -7.706
  322   1HE2  GLN  44          HE22      GLN  44   3.690  -0.454  -9.932
  323   2HE2  GLN  44          HE21      GLN  44   4.919  -0.338 -11.192
  324    H    GLU  45           H        GLU  45   1.624   3.778  -8.206
  325    HA   GLU  45           HA       GLU  45   2.718   6.340  -7.635
  326   1HB   GLU  45          HB2       GLU  45   1.412   5.567  -9.689
  327   2HB   GLU  45          HB3       GLU  45  -0.054   5.672  -8.717
  328   1HG   GLU  45          HG2       GLU  45   0.089   7.664  -9.992
  329   2HG   GLU  45          HG3       GLU  45   0.483   8.128  -8.342
  330    H    MET  46           H        MET  46  -0.201   4.654  -6.370
  331    HA   MET  46           HA       MET  46  -0.499   6.734  -4.243
  332   1HB   MET  46          HB2       MET  46  -2.633   5.701  -6.169
  333   2HB   MET  46          HB3       MET  46  -2.949   6.712  -4.756
  334   1HG   MET  46          HG2       MET  46  -1.494   8.482  -5.713
  335   2HG   MET  46          HG3       MET  46  -1.363   7.519  -7.196
  336   1HE   MET  46          HE1       MET  46  -2.114  10.036  -8.101
  337   2HE   MET  46          HE2       MET  46  -3.764  10.667  -7.906
  338   3HE   MET  46          HE3       MET  46  -2.643  10.663  -6.523
  339    H    GLY  47           H        GLY  47  -0.021   3.467  -4.606
  340   1HA   GLY  47          HA2       GLY  47  -2.246   2.321  -3.197
  341   2HA   GLY  47          HA3       GLY  47  -0.749   1.526  -3.633
  342    H    ASP  48           H        ASP  48  -1.597   4.218  -1.566
  343    HA   ASP  48           HA       ASP  48  -1.159   2.955   0.952
  344   1HB   ASP  48          HB2       ASP  48   1.185   3.572   0.607
  345   2HB   ASP  48          HB3       ASP  48   0.709   5.176   0.029
  346    H    LYS  49           H        LYS  49  -1.473   5.957  -0.984
  347    HA   LYS  49           HA       LYS  49  -3.190   7.377   0.805
  348   1HB   LYS  49          HB2       LYS  49  -2.950   7.587  -2.228
  349   2HB   LYS  49          HB3       LYS  49  -3.692   8.771  -1.145
  350   1HG   LYS  49          HG2       LYS  49  -1.424   9.028  -0.008
  351   2HG   LYS  49          HG3       LYS  49  -0.749   7.966  -1.246
  352   1HD   LYS  49          HD2       LYS  49  -0.241  10.144  -1.956
  353   2HD   LYS  49          HD3       LYS  49  -1.571   9.613  -3.000
  354   1HE   LYS  49          HE2       LYS  49  -3.174  10.882  -1.565
  355   2HE   LYS  49          HE3       LYS  49  -1.850  11.356  -0.499
  356   1HZ   LYS  49          HZ1       LYS  49  -0.867  12.575  -2.346
  357   2HZ   LYS  49          HZ2       LYS  49  -2.082  12.140  -3.350
  358   3HZ   LYS  49          HZ3       LYS  49  -2.379  13.106  -2.070
  359    H    LEU  50           H        LEU  50  -3.713   4.931  -1.713
  360    HA   LEU  50           HA       LEU  50  -6.376   4.482  -0.607
  361   1HB   LEU  50          HB2       LEU  50  -7.485   4.496  -2.531
  362   2HB   LEU  50          HB3       LEU  50  -6.256   5.633  -3.025
  363    HG   LEU  50           HG       LEU  50  -6.113   2.640  -3.687
  364   1HD1  LEU  50          HD11      LEU  50  -8.174   3.393  -4.560
  365   2HD1  LEU  50          HD12      LEU  50  -7.446   4.882  -5.173
  366   3HD1  LEU  50          HD13      LEU  50  -7.016   3.316  -5.903
  367   1HD2  LEU  50          HD21      LEU  50  -4.677   3.418  -5.549
  368   2HD2  LEU  50          HD22      LEU  50  -4.714   5.056  -4.854
  369   3HD2  LEU  50          HD23      LEU  50  -3.992   3.703  -3.953
  370    H    LYS  51           H        LYS  51  -7.129   2.247  -1.121
  371    HA   LYS  51           HA       LYS  51  -4.871   0.275  -1.139
  372   1HB   LYS  51          HB2       LYS  51  -6.398   0.364   0.846
  373   2HB   LYS  51          HB3       LYS  51  -7.765   0.041  -0.220
  374   1HG   LYS  51          HG2       LYS  51  -6.691  -2.170  -0.822
  375   2HG   LYS  51          HG3       LYS  51  -5.448  -1.835   0.392
  376   1HD   LYS  51          HD2       LYS  51  -8.456  -2.088   0.877
  377   2HD   LYS  51          HD3       LYS  51  -7.234  -3.306   1.251
  378   1HE   LYS  51          HE2       LYS  51  -6.164  -1.714   2.862
  379   2HE   LYS  51          HE3       LYS  51  -7.460  -0.536   2.551
  380   1HZ   LYS  51          HZ1       LYS  51  -9.037  -2.065   3.428
  381   2HZ   LYS  51          HZ2       LYS  51  -7.948  -3.290   3.546
  382   3HZ   LYS  51          HZ3       LYS  51  -7.831  -1.993   4.542
  383    H    ILE  52           H        ILE  52  -5.090  -1.517  -2.683
  384    HA   ILE  52           HA       ILE  52  -7.268  -1.221  -4.691
  385    HB   ILE  52           HB       ILE  52  -4.438  -2.181  -5.236
  386   1HG1  ILE  52          HG12      ILE  52  -5.823   0.441  -5.933
  387   2HG1  ILE  52          HG13      ILE  52  -4.358   0.214  -4.978
  388   1HG2  ILE  52          HG21      ILE  52  -6.740  -1.759  -7.189
  389   2HG2  ILE  52          HG22      ILE  52  -5.129  -2.411  -7.565
  390   3HG2  ILE  52          HG23      ILE  52  -6.229  -3.343  -6.579
  391   1HD1  ILE  52          HD11      ILE  52  -3.216  -0.656  -7.060
  392   2HD1  ILE  52          HD12      ILE  52  -4.652  -0.144  -7.975
  393   3HD1  ILE  52          HD13      ILE  52  -3.688   1.054  -7.098
  394    H    VAL  53           H        VAL  53  -8.436  -3.104  -4.911
  395    HA   VAL  53           HA       VAL  53  -7.489  -5.550  -3.492
  396    HB   VAL  53           HB       VAL  53 -10.296  -4.353  -3.525
  397   1HG1  VAL  53          HG11      VAL  53 -10.434  -6.793  -3.480
  398   2HG1  VAL  53          HG12      VAL  53  -9.266  -6.860  -2.138
  399   3HG1  VAL  53          HG13      VAL  53 -10.871  -6.126  -1.910
  400   1HG2  VAL  53          HG21      VAL  53  -8.441  -4.706  -1.129
  401   2HG2  VAL  53          HG22      VAL  53  -8.743  -3.163  -1.943
  402   3HG2  VAL  53          HG23      VAL  53 -10.069  -4.005  -1.132
  403    H    LYS  54           H        LYS  54  -7.759  -7.389  -4.673
  404    HA   LYS  54           HA       LYS  54  -9.111  -7.302  -7.334
  405   1HB   LYS  54          HB2       LYS  54  -7.231  -9.260  -5.914
  406   2HB   LYS  54          HB3       LYS  54  -7.997  -9.631  -7.452
  407   1HG   LYS  54          HG2       LYS  54  -6.128  -7.279  -7.001
  408   2HG   LYS  54          HG3       LYS  54  -5.655  -8.859  -7.651
  409   1HD   LYS  54          HD2       LYS  54  -7.383  -8.557  -9.469
  410   2HD   LYS  54          HD3       LYS  54  -7.634  -6.896  -8.878
  411   1HE   LYS  54          HE2       LYS  54  -5.442  -6.229  -9.410
  412   2HE   LYS  54          HE3       LYS  54  -4.874  -7.911  -9.547
  413   1HZ   LYS  54          HZ1       LYS  54  -6.112  -8.174 -11.558
  414   2HZ   LYS  54          HZ2       LYS  54  -6.863  -6.734 -11.406
  415   3HZ   LYS  54          HZ3       LYS  54  -5.244  -6.801 -11.735
  416    H    ILE  55           H        ILE  55 -11.050  -8.402  -7.641
  417    HA   ILE  55           HA       ILE  55 -11.735 -10.538  -5.730
  418    HB   ILE  55           HB       ILE  55 -12.597  -8.683  -4.582
  419   1HG1  ILE  55          HG12      ILE  55 -14.995  -9.879  -6.002
  420   2HG1  ILE  55          HG13      ILE  55 -13.990 -10.759  -4.841
  421   1HG2  ILE  55          HG21      ILE  55 -14.193  -7.028  -5.507
  422   2HG2  ILE  55          HG22      ILE  55 -12.621  -6.936  -6.286
  423   3HG2  ILE  55          HG23      ILE  55 -13.967  -7.733  -7.116
  424   1HD1  ILE  55          HD11      ILE  55 -14.496  -9.095  -3.091
  425   2HD1  ILE  55          HD12      ILE  55 -15.583  -8.246  -4.220
  426   3HD1  ILE  55          HD13      ILE  55 -15.948  -9.895  -3.702
  427    H    ASP  56           H        ASP  56 -12.645 -12.234  -6.735
  428    HA   ASP  56           HA       ASP  56 -12.879 -12.130  -9.641
  429   1HB   ASP  56          HB2       ASP  56 -11.719 -13.969  -8.560
  430   2HB   ASP  56          HB3       ASP  56 -13.161 -14.388  -7.633
  431    H    VAL  57           H        VAL  57 -14.830 -11.939 -10.779
  432    HA   VAL  57           HA       VAL  57 -17.195 -11.359  -9.299
  433    HB   VAL  57           HB       VAL  57 -18.339 -11.316 -11.535
  434   1HG1  VAL  57          HG11      VAL  57 -15.778  -9.706 -11.326
  435   2HG1  VAL  57          HG12      VAL  57 -17.207  -9.321 -12.324
  436   3HG1  VAL  57          HG13      VAL  57 -17.354  -9.323 -10.578
  437   1HG2  VAL  57          HG21      VAL  57 -16.959 -13.014 -12.730
  438   2HG2  VAL  57          HG22      VAL  57 -17.074 -11.478 -13.589
  439   3HG2  VAL  57          HG23      VAL  57 -15.589 -11.886 -12.713
  440    H    ASP  58           H        ASP  58 -16.111 -14.522 -10.428
  441    HA   ASP  58           HA       ASP  58 -18.905 -15.514 -10.630
  442   1HB   ASP  58          HB2       ASP  58 -17.303 -16.352 -12.269
  443   2HB   ASP  58          HB3       ASP  58 -16.229 -16.918 -10.986
  444    H    GLU  59           H        GLU  59 -15.967 -15.835  -8.621
  445    HA   GLU  59           HA       GLU  59 -17.199 -17.561  -6.646
  446   1HB   GLU  59          HB2       GLU  59 -14.730 -15.778  -6.561
  447   2HB   GLU  59          HB3       GLU  59 -15.222 -16.853  -5.248
  448   1HG   GLU  59          HG2       GLU  59 -15.113 -18.797  -6.814
  449   2HG   GLU  59          HG3       GLU  59 -14.508 -17.729  -8.080
  450    H    ASN  60           H        ASN  60 -17.221 -14.095  -7.203
  451    HA   ASN  60           HA       ASN  60 -18.585 -13.636  -4.582
  452   1HB   ASN  60          HB2       ASN  60 -16.700 -11.702  -5.964
  453   2HB   ASN  60          HB3       ASN  60 -17.496 -11.512  -4.413
  454   1HD2  ASN  60          HD22      ASN  60 -14.892 -13.107  -6.094
  455   2HD2  ASN  60          HD21      ASN  60 -14.129 -13.823  -4.673
  456    H    GLN  61           H        GLN  61 -19.949 -14.388  -6.709
  457    HA   GLN  61           HA       GLN  61 -21.098 -12.514  -8.429
  458   1HB   GLN  61          HB2       GLN  61 -22.854 -14.105  -8.690
  459   2HB   GLN  61          HB3       GLN  61 -21.313 -14.940  -8.598
  460   1HG   GLN  61          HG2       GLN  61 -23.480 -14.784  -6.493
  461   2HG   GLN  61          HG3       GLN  61 -22.968 -16.207  -7.400
  462   1HE2  GLN  61          HE22      GLN  61 -20.359 -16.705  -7.003
  463   2HE2  GLN  61          HE21      GLN  61 -19.888 -16.536  -5.320
  464    H    GLU  62           H        GLU  62 -21.830 -13.193  -4.992
  465    HA   GLU  62           HA       GLU  62 -24.083 -11.491  -4.779
  466   1HB   GLU  62          HB2       GLU  62 -22.024 -12.653  -2.887
  467   2HB   GLU  62          HB3       GLU  62 -23.193 -11.478  -2.275
  468   1HG   GLU  62          HG2       GLU  62 -23.987 -14.044  -3.719
  469   2HG   GLU  62          HG3       GLU  62 -23.851 -13.892  -1.971
  470    H    THR  63           H        THR  63 -20.531 -10.746  -4.434
  471    HA   THR  63           HA       THR  63 -21.122  -8.094  -3.525
  472    HB   THR  63           HB       THR  63 -18.504  -8.742  -4.755
  473    HG1  THR  63           HG1      THR  63 -19.443  -9.796  -2.304
  474   1HG2  THR  63          HG21      THR  63 -17.572  -7.470  -2.954
  475   2HG2  THR  63          HG22      THR  63 -18.950  -6.545  -3.575
  476   3HG2  THR  63          HG23      THR  63 -19.100  -7.472  -2.064
  477    H    ALA  64           H        ALA  64 -20.125  -9.511  -6.705
  478    HA   ALA  64           HA       ALA  64 -20.076  -7.019  -8.082
  479   1HB   ALA  64          HB1       ALA  64 -19.157  -9.190  -8.948
  480   2HB   ALA  64          HB2       ALA  64 -20.817  -9.776  -9.189
  481   3HB   ALA  64          HB3       ALA  64 -20.216  -8.380 -10.112
  482    H    GLY  65           H        GLY  65 -22.746  -9.397  -7.614
  483   1HA   GLY  65          HA2       GLY  65 -24.816  -7.992  -8.899
  484   2HA   GLY  65          HA3       GLY  65 -24.991  -9.171  -7.587
  485    H    LYS  66           H        LYS  66 -23.266  -7.339  -5.794
  486    HA   LYS  66           HA       LYS  66 -25.332  -5.898  -4.496
  487   1HB   LYS  66          HB2       LYS  66 -22.840  -6.717  -3.811
  488   2HB   LYS  66          HB3       LYS  66 -22.462  -5.043  -4.188
  489   1HG   LYS  66          HG2       LYS  66 -24.302  -4.389  -2.545
  490   2HG   LYS  66          HG3       LYS  66 -24.452  -6.101  -2.132
  491   1HD   LYS  66          HD2       LYS  66 -22.039  -4.291  -1.782
  492   2HD   LYS  66          HD3       LYS  66 -23.027  -4.971  -0.496
  493   1HE   LYS  66          HE2       LYS  66 -21.137  -6.478  -2.352
  494   2HE   LYS  66          HE3       LYS  66 -20.823  -6.061  -0.675
  495   1HZ   LYS  66          HZ1       LYS  66 -21.505  -8.382  -0.891
  496   2HZ   LYS  66          HZ2       LYS  66 -22.589  -7.549   0.006
  497   3HZ   LYS  66          HZ3       LYS  66 -22.948  -7.947  -1.539
  498    H    TYR  67           H        TYR  67 -23.353  -5.066  -7.258
  499    HA   TYR  67           HA       TYR  67 -24.489  -2.307  -7.273
  500   1HB   TYR  67          HB2       TYR  67 -21.943  -3.052  -8.695
  501   2HB   TYR  67          HB3       TYR  67 -22.481  -1.472  -8.148
  502    HD1  TYR  67           HD1      TYR  67 -20.518  -4.405  -7.435
  503    HD2  TYR  67           HD2      TYR  67 -22.529  -1.094  -5.528
  504    HE1  TYR  67           HE1      TYR  67 -19.285  -4.870  -5.371
  505    HE2  TYR  67           HE2      TYR  67 -21.261  -1.517  -3.451
  506    HH   TYR  67           HH       TYR  67 -19.771  -2.911  -2.373
  507    H    GLY  68           H        GLY  68 -25.240  -5.154  -8.485
  508   1HA   GLY  68          HA2       GLY  68 -26.144  -5.986 -10.378
  509   2HA   GLY  68          HA3       GLY  68 -26.336  -4.323 -10.962
  510    H    VAL  69           H        VAL  69 -23.118  -5.619 -10.179
  511    HA   VAL  69           HA       VAL  69 -22.327  -5.316 -13.016
  512    HB   VAL  69           HB       VAL  69 -20.762  -5.552 -10.408
  513   1HG1  VAL  69          HG11      VAL  69 -19.664  -5.443 -13.261
  514   2HG1  VAL  69          HG12      VAL  69 -18.716  -5.127 -11.775
  515   3HG1  VAL  69          HG13      VAL  69 -19.399  -6.713 -12.048
  516   1HG2  VAL  69          HG21      VAL  69 -21.804  -3.314 -10.956
  517   2HG2  VAL  69          HG22      VAL  69 -20.041  -3.258 -10.972
  518   3HG2  VAL  69          HG23      VAL  69 -20.941  -3.314 -12.497
  519    H    MET  70           H        MET  70 -21.166  -6.883 -14.003
  520    HA   MET  70           HA       MET  70 -20.489  -9.418 -13.006
  521   1HB   MET  70          HB2       MET  70 -23.113  -9.311 -14.362
  522   2HB   MET  70          HB3       MET  70 -21.993 -10.377 -15.205
  523   1HG   MET  70          HG2       MET  70 -22.639 -10.532 -12.241
  524   2HG   MET  70          HG3       MET  70 -23.319 -11.564 -13.495
  525   1HE   MET  70          HE1       MET  70 -22.584 -13.575 -11.789
  526   2HE   MET  70          HE2       MET  70 -20.899 -13.854 -11.294
  527   3HE   MET  70          HE3       MET  70 -21.766 -12.416 -10.716
  528    H    SER  71           H        SER  71 -20.758  -7.040 -15.637
  529    HA   SER  71           HA       SER  71 -18.984  -8.224 -17.492
  530   1HB   SER  71          HB2       SER  71 -19.342  -5.269 -16.841
  531   2HB   SER  71          HB3       SER  71 -18.864  -5.986 -18.389
  532    HG   SER  71           HG       SER  71 -21.075  -5.383 -18.366
  533    H    ILE  72           H        ILE  72 -16.672  -7.741 -17.791
  534    HA   ILE  72           HA       ILE  72 -15.234  -6.582 -15.513
  535    HB   ILE  72           HB       ILE  72 -13.707  -8.570 -15.528
  536   1HG1  ILE  72          HG12      ILE  72 -15.958  -9.956 -17.062
  537   2HG1  ILE  72          HG13      ILE  72 -14.373  -9.542 -17.720
  538   1HG2  ILE  72          HG21      ILE  72 -16.501  -9.322 -14.658
  539   2HG2  ILE  72          HG22      ILE  72 -14.953  -9.813 -13.941
  540   3HG2  ILE  72          HG23      ILE  72 -15.491  -8.141 -13.804
  541   1HD1  ILE  72          HD11      ILE  72 -14.438 -11.882 -17.137
  542   2HD1  ILE  72          HD12      ILE  72 -13.307 -11.037 -16.057
  543   3HD1  ILE  72          HD13      ILE  72 -14.927 -11.517 -15.479
  544    HA   PRO  73           HA       PRO  73 -12.869  -6.482 -15.067
  545   1HB   PRO  73          HB2       PRO  73 -11.119  -4.362 -15.310
  546   2HB   PRO  73          HB3       PRO  73 -10.672  -6.060 -15.594
  547   1HG   PRO  73          HG2       PRO  73 -11.331  -3.926 -17.615
  548   2HG   PRO  73          HG3       PRO  73 -10.087  -5.216 -17.707
  549   1HD   PRO  73          HD2       PRO  73 -12.536  -5.364 -18.976
  550   2HD   PRO  73          HD3       PRO  73 -11.642  -6.799 -18.397
  551    H    THR  74           H        THR  74 -13.810  -5.170 -13.518
  552    HA   THR  74           HA       THR  74 -14.968  -2.568 -14.373
  553    HB   THR  74           HB       THR  74 -16.392  -4.783 -12.849
  554    HG1  THR  74           HG1      THR  74 -17.189  -5.168 -14.708
  555   1HG2  THR  74          HG21      THR  74 -17.025  -2.693 -11.797
  556   2HG2  THR  74          HG22      THR  74 -17.201  -1.884 -13.363
  557   3HG2  THR  74          HG23      THR  74 -18.338  -3.147 -12.896
  558    H    LEU  75           H        LEU  75 -14.399  -1.002 -13.028
  559    HA   LEU  75           HA       LEU  75 -12.859  -1.736 -10.587
  560   1HB   LEU  75          HB2       LEU  75 -12.719   0.827 -12.205
  561   2HB   LEU  75          HB3       LEU  75 -11.723   0.356 -10.831
  562    HG   LEU  75           HG       LEU  75 -11.730  -0.869 -13.622
  563   1HD1  LEU  75          HD11      LEU  75  -9.572   0.607 -12.057
  564   2HD1  LEU  75          HD12      LEU  75  -9.433  -0.024 -13.712
  565   3HD1  LEU  75          HD13      LEU  75 -10.566   1.289 -13.363
  566   1HD2  LEU  75          HD21      LEU  75 -10.215  -1.819 -11.168
  567   2HD2  LEU  75          HD22      LEU  75 -11.353  -2.732 -12.174
  568   3HD2  LEU  75          HD23      LEU  75  -9.794  -2.259 -12.837
  569    H    LEU  76           H        LEU  76 -14.228  -1.676  -8.975
  570    HA   LEU  76           HA       LEU  76 -16.358   0.381  -8.718
  571   1HB   LEU  76          HB2       LEU  76 -15.553  -2.175  -7.364
  572   2HB   LEU  76          HB3       LEU  76 -16.065  -0.913  -6.273
  573    HG   LEU  76           HG       LEU  76 -17.857  -2.516  -6.956
  574   1HD1  LEU  76          HD11      LEU  76 -18.285   0.426  -7.551
  575   2HD1  LEU  76          HD12      LEU  76 -19.585  -0.756  -7.332
  576   3HD1  LEU  76          HD13      LEU  76 -18.480  -0.407  -6.001
  577   1HD2  LEU  76          HD21      LEU  76 -17.262  -2.817  -9.323
  578   2HD2  LEU  76          HD22      LEU  76 -18.939  -2.274  -9.138
  579   3HD2  LEU  76          HD23      LEU  76 -17.692  -1.128  -9.665
  580    H    VAL  77           H        VAL  77 -16.082   2.161  -7.314
  581    HA   VAL  77           HA       VAL  77 -13.428   2.375  -5.967
  582    HB   VAL  77           HB       VAL  77 -15.036   4.741  -6.973
  583   1HG1  VAL  77          HG11      VAL  77 -12.109   4.428  -6.157
  584   2HG1  VAL  77          HG12      VAL  77 -12.915   5.940  -6.621
  585   3HG1  VAL  77          HG13      VAL  77 -13.390   5.109  -5.135
  586   1HG2  VAL  77          HG21      VAL  77 -14.395   3.561  -9.020
  587   2HG2  VAL  77          HG22      VAL  77 -13.406   5.007  -8.814
  588   3HG2  VAL  77          HG23      VAL  77 -12.725   3.411  -8.438
  589    H    LEU  78           H        LEU  78 -13.774   2.219  -3.871
  590    HA   LEU  78           HA       LEU  78 -16.380   3.105  -2.706
  591   1HB   LEU  78          HB2       LEU  78 -14.606   0.727  -2.010
  592   2HB   LEU  78          HB3       LEU  78 -15.610   1.505  -0.797
  593    HG   LEU  78           HG       LEU  78 -17.625   1.119  -2.257
  594   1HD1  LEU  78          HD11      LEU  78 -16.670   0.667  -4.431
  595   2HD1  LEU  78          HD12      LEU  78 -15.697  -0.675  -3.782
  596   3HD1  LEU  78          HD13      LEU  78 -17.469  -0.799  -3.869
  597   1HD2  LEU  78          HD21      LEU  78 -17.963  -1.140  -1.530
  598   2HD2  LEU  78          HD22      LEU  78 -16.221  -1.390  -1.341
  599   3HD2  LEU  78          HD23      LEU  78 -17.087  -0.259  -0.274
  600    H    LYS  79           H        LYS  79 -16.159   4.036  -0.549
  601    HA   LYS  79           HA       LYS  79 -13.439   4.686   0.340
  602   1HB   LYS  79          HB2       LYS  79 -14.175   6.625  -1.062
  603   2HB   LYS  79          HB3       LYS  79 -15.579   6.837  -0.004
  604   1HG   LYS  79          HG2       LYS  79 -14.090   7.293   1.921
  605   2HG   LYS  79          HG3       LYS  79 -12.673   6.941   0.921
  606   1HD   LYS  79          HD2       LYS  79 -13.482   8.840  -0.627
  607   2HD   LYS  79          HD3       LYS  79 -14.616   9.278   0.662
  608   1HE   LYS  79          HE2       LYS  79 -12.732   9.652   2.221
  609   2HE   LYS  79          HE3       LYS  79 -11.595   9.032   1.016
  610   1HZ   LYS  79          HZ1       LYS  79 -11.444  11.330   0.794
  611   2HZ   LYS  79          HZ2       LYS  79 -12.369  10.887  -0.439
  612   3HZ   LYS  79          HZ3       LYS  79 -13.081  11.572   0.883
  613    H    ASP  80           H        ASP  80 -13.352   4.210   2.461
  614    HA   ASP  80           HA       ASP  80 -13.999   3.486   4.481
  615   1HB   ASP  80          HB2       ASP  80 -13.907   5.942   4.647
  616   2HB   ASP  80          HB3       ASP  80 -15.644   6.033   4.346
  617    H    GLY  81           H        GLY  81 -15.469   2.087   2.565
  618   1HA   GLY  81          HA2       GLY  81 -16.796   0.280   3.073
  619   2HA   GLY  81          HA3       GLY  81 -17.686   1.203   4.279
  620    H    GLU  82           H        GLU  82 -17.785   3.239   1.591
  621    HA   GLU  82           HA       GLU  82 -20.179   1.864   0.477
  622   1HB   GLU  82          HB2       GLU  82 -21.408   3.861   0.600
  623   2HB   GLU  82          HB3       GLU  82 -20.652   3.618   2.182
  624   1HG   GLU  82          HG2       GLU  82 -18.934   5.309   1.631
  625   2HG   GLU  82          HG3       GLU  82 -19.680   5.570   0.052
  626    H    VAL  83           H        VAL  83 -20.703   2.345  -1.707
  627    HA   VAL  83           HA       VAL  83 -18.431   2.704  -3.450
  628    HB   VAL  83           HB       VAL  83 -20.216   1.174  -3.974
  629   1HG1  VAL  83          HG11      VAL  83 -22.083   3.559  -4.283
  630   2HG1  VAL  83          HG12      VAL  83 -22.439   1.878  -4.721
  631   3HG1  VAL  83          HG13      VAL  83 -22.192   2.306  -3.027
  632   1HG2  VAL  83          HG21      VAL  83 -18.903   2.206  -5.800
  633   2HG2  VAL  83          HG22      VAL  83 -20.526   1.718  -6.304
  634   3HG2  VAL  83          HG23      VAL  83 -20.175   3.431  -6.011
  635    H    VAL  84           H        VAL  84 -17.800   4.350  -4.584
  636    HA   VAL  84           HA       VAL  84 -19.306   6.891  -4.513
  637    HB   VAL  84           HB       VAL  84 -17.210   8.140  -4.370
  638   1HG1  VAL  84          HG11      VAL  84 -16.806   7.867  -1.996
  639   2HG1  VAL  84          HG12      VAL  84 -18.534   7.656  -2.319
  640   3HG1  VAL  84          HG13      VAL  84 -17.510   6.238  -2.005
  641   1HG2  VAL  84          HG21      VAL  84 -15.108   7.125  -3.676
  642   2HG2  VAL  84          HG22      VAL  84 -15.825   5.508  -3.704
  643   3HG2  VAL  84          HG23      VAL  84 -15.615   6.427  -5.217
  644    H    GLU  85           H        GLU  85 -17.566   4.468  -6.439
  645    HA   GLU  85           HA       GLU  85 -18.854   5.692  -8.716
  646   1HB   GLU  85          HB2       GLU  85 -16.062   6.375  -8.280
  647   2HB   GLU  85          HB3       GLU  85 -16.159   5.367  -9.705
  648   1HG   GLU  85          HG2       GLU  85 -17.805   7.900  -9.279
  649   2HG   GLU  85          HG3       GLU  85 -16.284   7.815 -10.144
  650    H    THR  86           H        THR  86 -18.503   4.389 -10.735
  651    HA   THR  86           HA       THR  86 -17.323   1.715 -10.432
  652    HB   THR  86           HB       THR  86 -20.219   2.224 -11.258
  653    HG1  THR  86           HG1      THR  86 -19.337   1.891  -8.969
  654   1HG2  THR  86          HG21      THR  86 -19.463   0.550 -12.777
  655   2HG2  THR  86          HG22      THR  86 -18.555  -0.302 -11.522
  656   3HG2  THR  86          HG23      THR  86 -20.335  -0.299 -11.494
  657    H    SER  87           H        SER  87 -16.227   1.248 -12.279
  658    HA   SER  87           HA       SER  87 -16.779   2.725 -14.812
  659   1HB   SER  87          HB2       SER  87 -14.063   2.455 -13.442
  660   2HB   SER  87          HB3       SER  87 -14.380   3.225 -15.007
  661    HG   SER  87           HG       SER  87 -14.230   4.757 -13.329
  662    H    VAL  88           H        VAL  88 -15.851   1.559 -16.711
  663    HA   VAL  88           HA       VAL  88 -15.281  -1.315 -16.151
  664    HB   VAL  88           HB       VAL  88 -17.249  -0.250 -18.216
  665   1HG1  VAL  88          HG11      VAL  88 -16.616  -3.097 -17.312
  666   2HG1  VAL  88          HG12      VAL  88 -17.935  -2.643 -18.410
  667   3HG1  VAL  88          HG13      VAL  88 -16.266  -2.392 -18.908
  668   1HG2  VAL  88          HG21      VAL  88 -18.259   0.051 -15.992
  669   2HG2  VAL  88          HG22      VAL  88 -19.036  -1.283 -16.835
  670   3HG2  VAL  88          HG23      VAL  88 -17.846  -1.627 -15.565
  671    H    GLY  89           H        GLY  89 -13.953  -2.321 -17.644
  672   1HA   GLY  89          HA2       GLY  89 -12.834  -2.631 -19.645
  673   2HA   GLY  89          HA3       GLY  89 -13.213  -0.985 -20.155
  674    H    PHE  90           H        PHE  90 -10.759  -1.816 -20.696
  675    HA   PHE  90           HA       PHE  90  -8.757  -1.322 -18.685
  676   1HB   PHE  90          HB2       PHE  90  -8.345  -2.669 -20.701
  677   2HB   PHE  90          HB3       PHE  90  -8.674  -1.282 -21.733
  678    HD1  PHE  90           HD1      PHE  90  -7.067   0.645 -21.833
  679    HD2  PHE  90           HD2      PHE  90  -6.189  -2.961 -19.631
  680    HE1  PHE  90           HE1      PHE  90  -4.669   1.269 -21.764
  681    HE2  PHE  90           HE2      PHE  90  -3.784  -2.344 -19.596
  682    HZ   PHE  90           HZ       PHE  90  -3.022  -0.228 -20.652
  683    H    LYS  91           H        LYS  91  -7.819   0.548 -18.059
  684    HA   LYS  91           HA       LYS  91  -8.290   3.075 -19.518
  685   1HB   LYS  91          HB2       LYS  91  -9.157   2.375 -16.727
  686   2HB   LYS  91          HB3       LYS  91  -8.215   3.848 -16.858
  687   1HG   LYS  91          HG2       LYS  91 -10.521   4.392 -16.893
  688   2HG   LYS  91          HG3       LYS  91  -9.789   4.805 -18.449
  689   1HD   LYS  91          HD2       LYS  91 -10.875   2.986 -19.547
  690   2HD   LYS  91          HD3       LYS  91 -11.362   2.232 -18.007
  691   1HE   LYS  91          HE2       LYS  91 -12.872   4.120 -17.556
  692   2HE   LYS  91          HE3       LYS  91 -12.315   4.949 -19.017
  693   1HZ   LYS  91          HZ1       LYS  91 -14.411   3.804 -19.383
  694   2HZ   LYS  91          HZ2       LYS  91 -13.262   3.155 -20.333
  695   3HZ   LYS  91          HZ3       LYS  91 -13.764   2.352 -18.994
  696    HA   PRO  92           HA       PRO  92  -3.880   3.062 -18.646
  697   1HB   PRO  92          HB2       PRO  92  -3.207   5.662 -19.155
  698   2HB   PRO  92          HB3       PRO  92  -3.703   4.525 -20.448
  699   1HG   PRO  92          HG2       PRO  92  -5.414   6.582 -19.023
  700   2HG   PRO  92          HG3       PRO  92  -5.270   6.292 -20.786
  701   1HD   PRO  92          HD2       PRO  92  -7.294   5.219 -19.285
  702   2HD   PRO  92          HD3       PRO  92  -6.577   4.338 -20.667
  703    H    LYS  93           H        LYS  93  -2.329   3.902 -17.031
  704    HA   LYS  93           HA       LYS  93  -3.421   4.139 -14.457
  705   1HB   LYS  93          HB2       LYS  93  -1.106   3.371 -15.042
  706   2HB   LYS  93          HB3       LYS  93  -0.690   5.019 -15.465
  707   1HG   LYS  93          HG2       LYS  93  -1.670   5.211 -12.785
  708   2HG   LYS  93          HG3       LYS  93  -0.839   3.670 -12.843
  709   1HD   LYS  93          HD2       LYS  93   0.818   5.250 -12.220
  710   2HD   LYS  93          HD3       LYS  93   1.121   4.885 -13.937
  711   1HE   LYS  93          HE2       LYS  93  -0.079   6.961 -14.588
  712   2HE   LYS  93          HE3       LYS  93  -0.389   7.322 -12.883
  713   1HZ   LYS  93          HZ1       LYS  93   2.324   7.114 -14.069
  714   2HZ   LYS  93          HZ2       LYS  93   1.541   8.517 -13.792
  715   3HZ   LYS  93          HZ3       LYS  93   1.970   7.581 -12.530
  716    H    GLU  94           H        GLU  94  -2.364   6.728 -16.702
  717    HA   GLU  94           HA       GLU  94  -2.567   8.866 -14.881
  718   1HB   GLU  94          HB2       GLU  94  -3.030   8.816 -17.893
  719   2HB   GLU  94          HB3       GLU  94  -2.869  10.290 -16.926
  720   1HG   GLU  94          HG2       GLU  94  -0.598   9.562 -16.202
  721   2HG   GLU  94          HG3       GLU  94  -0.737   8.128 -17.221
  722    H    ALA  95           H        ALA  95  -5.140   7.270 -16.774
  723    HA   ALA  95           HA       ALA  95  -7.182   9.183 -16.030
  724   1HB   ALA  95          HB1       ALA  95  -7.389   6.308 -17.015
  725   2HB   ALA  95          HB2       ALA  95  -8.721   7.474 -16.922
  726   3HB   ALA  95          HB3       ALA  95  -7.379   7.762 -18.054
  727    H    LEU  96           H        LEU  96  -6.064   5.980 -14.856
  728    HA   LEU  96           HA       LEU  96  -8.092   5.657 -12.893
  729   1HB   LEU  96          HB2       LEU  96  -5.249   4.555 -12.898
  730   2HB   LEU  96          HB3       LEU  96  -6.558   4.049 -11.831
  731    HG   LEU  96           HG       LEU  96  -6.498   3.673 -14.848
  732   1HD1  LEU  96          HD11      LEU  96  -4.963   2.198 -13.550
  733   2HD1  LEU  96          HD12      LEU  96  -6.352   1.630 -12.597
  734   3HD1  LEU  96          HD13      LEU  96  -6.270   1.309 -14.344
  735   1HD2  LEU  96          HD21      LEU  96  -8.609   2.907 -12.797
  736   2HD2  LEU  96          HD22      LEU  96  -8.809   3.989 -14.195
  737   3HD2  LEU  96          HD23      LEU  96  -8.529   2.267 -14.453
  738    H    GLN  97           H        GLN  97  -4.823   7.184 -12.681
  739    HA   GLN  97           HA       GLN  97  -5.157   7.670  -9.861
  740   1HB   GLN  97          HB2       GLN  97  -3.145   8.927  -9.906
  741   2HB   GLN  97          HB3       GLN  97  -2.945   7.498 -10.898
  742   1HG   GLN  97          HG2       GLN  97  -1.901   9.131 -12.151
  743   2HG   GLN  97          HG3       GLN  97  -3.489   8.991 -12.889
  744   1HE2  GLN  97          HE22      GLN  97  -4.285  10.954 -13.520
  745   2HE2  GLN  97          HE21      GLN  97  -3.985  12.471 -12.690
  746    H    GLU  98           H        GLU  98  -6.101   9.439 -12.798
  747    HA   GLU  98           HA       GLU  98  -6.706  11.894 -11.469
  748   1HB   GLU  98          HB2       GLU  98  -6.476  11.765 -13.895
  749   2HB   GLU  98          HB3       GLU  98  -7.867  10.683 -14.015
  750   1HG   GLU  98          HG2       GLU  98  -9.355  12.435 -13.167
  751   2HG   GLU  98          HG3       GLU  98  -7.979  13.512 -12.897
  752    H    LEU  99           H        LEU  99  -8.615   8.979 -12.301
  753    HA   LEU  99           HA       LEU  99 -11.074   9.763 -11.135
  754   1HB   LEU  99          HB2       LEU  99 -10.869   7.858 -12.639
  755   2HB   LEU  99          HB3       LEU  99  -9.806   7.023 -11.512
  756    HG   LEU  99           HG       LEU  99 -11.650   6.793  -9.879
  757   1HD1  LEU  99          HD11      LEU  99 -13.040   8.746 -10.438
  758   2HD1  LEU  99          HD12      LEU  99 -13.375   8.073 -12.049
  759   3HD1  LEU  99          HD13      LEU  99 -13.980   7.263 -10.587
  760   1HD2  LEU  99          HD21      LEU  99 -11.206   5.014 -11.498
  761   2HD2  LEU  99          HD22      LEU  99 -12.944   5.131 -11.190
  762   3HD2  LEU  99          HD23      LEU  99 -12.262   5.796 -12.692
  763    H    VAL 100           H        VAL 100  -8.285   8.008  -9.661
  764    HA   VAL 100           HA       VAL 100  -9.494   7.703  -7.109
  765    HB   VAL 100           HB       VAL 100  -6.619   7.702  -8.088
  766   1HG1  VAL 100          HG11      VAL 100  -7.591   7.193  -5.244
  767   2HG1  VAL 100          HG12      VAL 100  -5.993   6.715  -5.879
  768   3HG1  VAL 100          HG13      VAL 100  -6.422   8.416  -5.784
  769   1HG2  VAL 100          HG21      VAL 100  -8.502   5.514  -7.076
  770   2HG2  VAL 100          HG22      VAL 100  -8.087   5.797  -8.761
  771   3HG2  VAL 100          HG23      VAL 100  -6.828   5.274  -7.641
  772    H    ASN 101           H        ASN 101  -7.284  10.313  -8.343
  773    HA   ASN 101           HA       ASN 101  -7.258  11.618  -5.835
  774   1HB   ASN 101          HB2       ASN 101  -5.769  12.974  -6.712
  775   2HB   ASN 101          HB3       ASN 101  -5.839  11.968  -8.143
  776   1HD2  ASN 101          HD22      ASN 101  -7.560  12.690  -9.841
  777   2HD2  ASN 101          HD21      ASN 101  -7.622  14.419 -10.101
  778    H    LYS 102           H        LYS 102  -9.659  11.786  -8.385
  779    HA   LYS 102           HA       LYS 102 -11.060  14.068  -7.312
  780   1HB   LYS 102          HB2       LYS 102 -12.013  11.706  -8.986
  781   2HB   LYS 102          HB3       LYS 102 -13.055  13.044  -8.544
  782   1HG   LYS 102          HG2       LYS 102 -10.488  13.369 -10.154
  783   2HG   LYS 102          HG3       LYS 102 -12.105  13.205 -10.839
  784   1HD   LYS 102          HD2       LYS 102 -12.807  15.272  -9.612
  785   2HD   LYS 102          HD3       LYS 102 -11.136  15.466  -9.033
  786   1HE   LYS 102          HE2       LYS 102 -10.333  15.559 -11.379
  787   2HE   LYS 102          HE3       LYS 102 -11.992  15.365 -11.959
  788   1HZ   LYS 102          HZ1       LYS 102 -11.325  17.681 -11.960
  789   2HZ   LYS 102          HZ2       LYS 102 -12.542  17.478 -10.899
  790   3HZ   LYS 102          HZ3       LYS 102 -11.009  17.662 -10.362
  791    H    HIS 103           H        HIS 103 -10.791  10.797  -6.068
  792    HA   HIS 103           HA       HIS 103 -13.102  11.314  -4.252
  793   1HB   HIS 103          HB2       HIS 103 -11.824   8.719  -5.174
  794   2HB   HIS 103          HB3       HIS 103 -13.057   8.833  -3.921
  795    HD1  HIS 103           HD1      HIS 103 -15.456  10.166  -4.884
  796    HD2  HIS 103           HD2      HIS 103 -12.793   8.314  -7.564
  797    HE1  HIS 103           HE1      HIS 103 -16.760   9.766  -7.035
  798    H    LEU 104           H        LEU 104  -9.612  10.997  -4.241
  799    HA   LEU 104           HA       LEU 104  -9.180  10.184  -1.569
  800   1HB   LEU 104          HB2       LEU 104  -7.671  12.221  -3.245
  801   2HB   LEU 104          HB3       LEU 104  -7.148  11.677  -1.661
  802    HG   LEU 104           HG       LEU 104  -7.426   9.898  -4.112
  803   1HD1  LEU 104          HD11      LEU 104  -5.538  11.488  -4.234
  804   2HD1  LEU 104          HD12      LEU 104  -4.966  10.925  -2.654
  805   3HD1  LEU 104          HD13      LEU 104  -4.971   9.822  -4.050
  806   1HD2  LEU 104          HD21      LEU 104  -6.213   8.201  -2.736
  807   2HD2  LEU 104          HD22      LEU 104  -6.431   9.237  -1.309
  808   3HD2  LEU 104          HD23      LEU 104  -7.834   8.534  -2.144
  Start of MODEL    6
    1   1H    MET   1          H1        MET   1   0.915   1.374   0.305
    2   2H    MET   1          H2        MET   1   1.073   1.629   1.930
    3   3H    MET   1          H3        MET   1   2.219   0.780   1.096
    4    HA   MET   1           HA       MET   1   0.920  -0.743   2.315
    5   1HB   MET   1          HB2       MET   1  -1.102   0.856   2.307
    6   2HB   MET   1          HB3       MET   1  -1.525   0.161   0.745
    7   1HG   MET   1          HG2       MET   1  -1.530  -2.122   1.884
    8   2HG   MET   1          HG3       MET   1  -1.226  -1.296   3.410
    9   1HE   MET   1          HE1       MET   1  -3.609  -3.381   2.697
   10   2HE   MET   1          HE2       MET   1  -3.330  -2.706   4.319
   11   3HE   MET   1          HE3       MET   1  -4.950  -2.629   3.591
   12    H    ALA   2           H        ALA   2  -1.141  -1.818   0.005
   13    HA   ALA   2           HA       ALA   2   0.563  -2.706  -2.151
   14   1HB   ALA   2          HB1       ALA   2  -0.157  -4.655   0.109
   15   2HB   ALA   2          HB2       ALA   2   0.590  -5.082  -1.443
   16   3HB   ALA   2          HB3       ALA   2   1.495  -4.114  -0.275
   17    H    ILE   3           H        ILE   3  -0.637  -4.434  -3.296
   18    HA   ILE   3           HA       ILE   3  -3.488  -3.874  -3.522
   19    HB   ILE   3           HB       ILE   3  -1.525  -5.805  -4.832
   20   1HG1  ILE   3          HG12      ILE   3  -2.739  -3.173  -5.785
   21   2HG1  ILE   3          HG13      ILE   3  -1.080  -3.418  -5.269
   22   1HG2  ILE   3          HG21      ILE   3  -3.826  -6.739  -5.003
   23   2HG2  ILE   3          HG22      ILE   3  -4.405  -5.206  -5.696
   24   3HG2  ILE   3          HG23      ILE   3  -3.248  -6.227  -6.574
   25   1HD1  ILE   3          HD11      ILE   3  -2.339  -4.537  -7.765
   26   2HD1  ILE   3          HD12      ILE   3  -1.079  -3.308  -7.601
   27   3HD1  ILE   3          HD13      ILE   3  -0.714  -4.979  -7.131
   28    H    VAL   4           H        VAL   4  -5.122  -5.429  -2.994
   29    HA   VAL   4           HA       VAL   4  -4.357  -7.439  -0.929
   30    HB   VAL   4           HB       VAL   4  -6.686  -5.472  -0.813
   31   1HG1  VAL   4          HG11      VAL   4  -6.650  -5.999   1.636
   32   2HG1  VAL   4          HG12      VAL   4  -7.079  -7.375   0.646
   33   3HG1  VAL   4          HG13      VAL   4  -5.433  -7.252   1.322
   34   1HG2  VAL   4          HG21      VAL   4  -4.711  -4.077  -0.676
   35   2HG2  VAL   4          HG22      VAL   4  -5.374  -4.236   0.940
   36   3HG2  VAL   4          HG23      VAL   4  -3.943  -5.187   0.486
   37    H    LYS   5           H        LYS   5  -6.253  -8.935  -0.492
   38    HA   LYS   5           HA       LYS   5  -8.009  -9.410  -2.848
   39   1HB   LYS   5          HB2       LYS   5  -6.201 -11.056  -2.946
   40   2HB   LYS   5          HB3       LYS   5  -6.361 -11.391  -1.226
   41   1HG   LYS   5          HG2       LYS   5  -7.260 -13.236  -2.441
   42   2HG   LYS   5          HG3       LYS   5  -8.551 -12.442  -1.572
   43   1HD   LYS   5          HD2       LYS   5  -9.298 -13.132  -3.796
   44   2HD   LYS   5          HD3       LYS   5  -9.358 -11.389  -3.638
   45   1HE   LYS   5          HE2       LYS   5  -8.494 -11.918  -5.820
   46   2HE   LYS   5          HE3       LYS   5  -7.196 -11.195  -4.870
   47   1HZ   LYS   5          HZ1       LYS   5  -7.534 -14.107  -5.374
   48   2HZ   LYS   5          HZ2       LYS   5  -6.432 -13.148  -6.092
   49   3HZ   LYS   5          HZ3       LYS   5  -6.320 -13.451  -4.499
   50    H    ALA   6           H        ALA   6 -10.050  -9.948  -2.232
   51    HA   ALA   6           HA       ALA   6 -10.667 -10.794   0.484
   52   1HB   ALA   6          HB1       ALA   6 -12.358  -9.087   0.909
   53   2HB   ALA   6          HB2       ALA   6 -10.809  -8.277   0.636
   54   3HB   ALA   6          HB3       ALA   6 -12.033  -8.310  -0.655
   55    H    THR   7           H        THR   7 -13.135 -11.267   0.550
   56    HA   THR   7           HA       THR   7 -14.299 -11.806  -2.074
   57    HB   THR   7           HB       THR   7 -15.074 -14.048  -1.320
   58    HG1  THR   7           HG1      THR   7 -13.182 -13.757   0.778
   59   1HG2  THR   7          HG21      THR   7 -12.032 -13.929  -1.233
   60   2HG2  THR   7          HG22      THR   7 -13.058 -15.308  -1.680
   61   3HG2  THR   7          HG23      THR   7 -13.000 -13.872  -2.716
   62    H    ASP   8           H        ASP   8 -16.785 -12.465  -1.541
   63    HA   ASP   8           HA       ASP   8 -18.155 -10.417  -0.359
   64   1HB   ASP   8          HB2       ASP   8 -19.211 -12.295  -1.629
   65   2HB   ASP   8          HB3       ASP   8 -18.964 -13.344  -0.248
   66    H    GLN   9           H        GLN   9 -16.660 -13.070   1.345
   67    HA   GLN   9           HA       GLN   9 -17.895 -12.945   3.869
   68   1HB   GLN   9          HB2       GLN   9 -15.138 -13.811   2.907
   69   2HB   GLN   9          HB3       GLN   9 -15.641 -13.975   4.579
   70   1HG   GLN   9          HG2       GLN   9 -15.885 -16.075   3.347
   71   2HG   GLN   9          HG3       GLN   9 -17.397 -15.506   4.040
   72   1HE2  GLN   9          HE22      GLN   9 -15.623 -15.078   0.834
   73   2HE2  GLN   9          HE21      GLN   9 -17.049 -15.469  -0.113
   74    H    SER  10           H        SER  10 -15.266 -10.939   2.533
   75    HA   SER  10           HA       SER  10 -15.221  -9.329   5.046
   76   1HB   SER  10          HB2       SER  10 -12.711 -10.454   3.734
   77   2HB   SER  10          HB3       SER  10 -12.811  -9.541   5.246
   78    HG   SER  10           HG       SER  10 -12.596 -11.790   5.599
   79    H    PHE  11           H        PHE  11 -15.306  -9.216   1.679
   80    HA   PHE  11           HA       PHE  11 -13.687  -7.039   0.988
   81   1HB   PHE  11          HB2       PHE  11 -14.931  -8.450  -0.582
   82   2HB   PHE  11          HB3       PHE  11 -16.463  -7.870   0.052
   83    HD1  PHE  11           HD1      PHE  11 -17.374  -5.705  -0.637
   84    HD2  PHE  11           HD2      PHE  11 -13.508  -7.034  -2.023
   85    HE1  PHE  11           HE1      PHE  11 -17.421  -4.000  -2.438
   86    HE2  PHE  11           HE2      PHE  11 -13.574  -5.343  -3.824
   87    HZ   PHE  11           HZ       PHE  11 -15.561  -3.838  -4.050
   88    H    SER  12           H        SER  12 -16.861  -7.055   2.663
   89    HA   SER  12           HA       SER  12 -17.289  -4.269   2.470
   90   1HB   SER  12          HB2       SER  12 -18.285  -6.124   4.668
   91   2HB   SER  12          HB3       SER  12 -19.061  -4.648   4.064
   92    HG   SER  12           HG       SER  12 -20.006  -6.561   3.207
   93    H    ALA  13           H        ALA  13 -15.405  -6.182   4.800
   94    HA   ALA  13           HA       ALA  13 -15.071  -4.006   6.673
   95   1HB   ALA  13          HB1       ALA  13 -13.323  -5.434   7.652
   96   2HB   ALA  13          HB2       ALA  13 -14.808  -6.363   7.377
   97   3HB   ALA  13          HB3       ALA  13 -13.422  -6.546   6.276
   98    H    GLU  14           H        GLU  14 -13.176  -5.443   3.970
   99    HA   GLU  14           HA       GLU  14 -10.915  -3.772   4.311
  100   1HB   GLU  14          HB2       GLU  14 -11.982  -5.349   1.936
  101   2HB   GLU  14          HB3       GLU  14 -10.495  -4.411   1.821
  102   1HG   GLU  14          HG2       GLU  14 -11.028  -6.612   3.843
  103   2HG   GLU  14          HG3       GLU  14 -10.087  -6.791   2.354
  104    H    THR  15           H        THR  15 -13.885  -3.288   2.371
  105    HA   THR  15           HA       THR  15 -12.856  -0.925   1.120
  106    HB   THR  15           HB       THR  15 -15.262  -0.694   0.362
  107    HG1  THR  15           HG1      THR  15 -15.461  -3.345   1.330
  108   1HG2  THR  15          HG21      THR  15 -13.556  -1.679  -1.061
  109   2HG2  THR  15          HG22      THR  15 -13.683  -3.245  -0.240
  110   3HG2  THR  15          HG23      THR  15 -15.039  -2.624  -1.205
  111    H    SER  16           H        SER  16 -13.536  -1.274   4.300
  112    HA   SER  16           HA       SER  16 -14.913   1.352   4.560
  113   1HB   SER  16          HB2       SER  16 -15.075  -1.100   6.348
  114   2HB   SER  16          HB3       SER  16 -15.891   0.451   6.625
  115    HG   SER  16           HG       SER  16 -16.439  -1.570   4.807
  116    H    GLU  17           H        GLU  17 -12.058   1.153   4.305
  117    HA   GLU  17           HA       GLU  17 -11.335   2.306   6.969
  118   1HB   GLU  17          HB2       GLU  17  -9.576   0.580   5.183
  119   2HB   GLU  17          HB3       GLU  17  -9.074   1.354   6.691
  120   1HG   GLU  17          HG2       GLU  17 -10.847   0.021   7.895
  121   2HG   GLU  17          HG3       GLU  17 -11.101  -0.886   6.395
  122    H    GLY  18           H        GLY  18 -11.761   3.163   3.750
  123   1HA   GLY  18          HA2       GLY  18 -10.588   5.672   3.801
  124   2HA   GLY  18          HA3       GLY  18  -9.291   4.556   3.294
  125    H    VAL  19           H        VAL  19  -9.459   5.892   1.255
  126    HA   VAL  19           HA       VAL  19 -11.653   5.231  -0.575
  127    HB   VAL  19           HB       VAL  19  -8.854   6.356  -1.066
  128   1HG1  VAL  19          HG11      VAL  19  -9.667   5.241  -3.117
  129   2HG1  VAL  19          HG12      VAL  19 -11.221   6.092  -2.986
  130   3HG1  VAL  19          HG13      VAL  19  -9.724   6.992  -3.316
  131   1HG2  VAL  19          HG21      VAL  19 -10.317   7.926   0.175
  132   2HG2  VAL  19          HG22      VAL  19 -10.078   8.486  -1.483
  133   3HG2  VAL  19          HG23      VAL  19 -11.594   7.698  -1.050
  134    H    VAL  20           H        VAL  20 -11.627   3.469  -1.990
  135    HA   VAL  20           HA       VAL  20  -9.339   1.598  -1.924
  136    HB   VAL  20           HB       VAL  20 -12.237   0.851  -1.278
  137   1HG1  VAL  20          HG11      VAL  20  -9.741  -0.821  -1.660
  138   2HG1  VAL  20          HG12      VAL  20 -11.191  -1.430  -0.836
  139   3HG1  VAL  20          HG13      VAL  20 -11.277  -0.945  -2.530
  140   1HG2  VAL  20          HG21      VAL  20 -11.038   0.014   0.919
  141   2HG2  VAL  20          HG22      VAL  20  -9.801   1.176   0.491
  142   3HG2  VAL  20          HG23      VAL  20 -11.466   1.714   0.747
  143    H    LEU  21           H        LEU  21  -9.129   0.490  -3.861
  144    HA   LEU  21           HA       LEU  21 -11.119   1.099  -6.012
  145   1HB   LEU  21          HB2       LEU  21  -8.915   2.084  -6.475
  146   2HB   LEU  21          HB3       LEU  21  -8.124   0.527  -6.183
  147    HG   LEU  21           HG       LEU  21  -9.415  -0.408  -8.161
  148   1HD1  LEU  21          HD11      LEU  21 -10.321   1.318  -9.761
  149   2HD1  LEU  21          HD12      LEU  21 -11.298   1.136  -8.298
  150   3HD1  LEU  21          HD13      LEU  21 -10.200   2.528  -8.478
  151   1HD2  LEU  21          HD21      LEU  21  -8.004   0.651  -9.832
  152   2HD2  LEU  21          HD22      LEU  21  -7.660   2.015  -8.740
  153   3HD2  LEU  21          HD23      LEU  21  -7.080   0.380  -8.350
  154    H    ALA  22           H        ALA  22 -12.448  -0.662  -5.910
  155    HA   ALA  22           HA       ALA  22 -11.345  -3.372  -5.484
  156   1HB   ALA  22          HB1       ALA  22 -13.694  -4.063  -5.849
  157   2HB   ALA  22          HB2       ALA  22 -13.522  -2.873  -4.534
  158   3HB   ALA  22          HB3       ALA  22 -14.141  -2.365  -6.125
  159    H    ASP  23           H        ASP  23 -11.091  -4.817  -7.160
  160    HA   ASP  23           HA       ASP  23 -11.609  -3.936  -9.967
  161   1HB   ASP  23          HB2       ASP  23  -9.248  -3.686  -9.689
  162   2HB   ASP  23          HB3       ASP  23  -9.120  -5.201  -8.786
  163    H    PHE  24           H        PHE  24 -13.405  -5.088 -10.260
  164    HA   PHE  24           HA       PHE  24 -13.669  -7.888  -9.452
  165   1HB   PHE  24          HB2       PHE  24 -15.436  -6.013 -11.059
  166   2HB   PHE  24          HB3       PHE  24 -15.808  -7.699 -10.750
  167    HD1  PHE  24           HD1      PHE  24 -16.529  -8.475  -8.545
  168    HD2  PHE  24           HD2      PHE  24 -15.401  -4.357  -9.156
  169    HE1  PHE  24           HE1      PHE  24 -17.442  -7.897  -6.320
  170    HE2  PHE  24           HE2      PHE  24 -16.294  -3.794  -6.909
  171    HZ   PHE  24           HZ       PHE  24 -17.303  -5.554  -5.487
  172    H    TRP  25           H        TRP  25 -12.665  -9.411 -10.615
  173    HA   TRP  25           HA       TRP  25 -12.163  -8.974 -13.517
  174   1HB   TRP  25          HB2       TRP  25  -9.887  -9.574 -13.324
  175   2HB   TRP  25          HB3       TRP  25 -10.170  -8.292 -12.167
  176    HD1  TRP  25           HD1      TRP  25 -10.581  -9.273  -9.558
  177    HE1  TRP  25           HE1      TRP  25  -9.363 -11.138  -8.303
  178    HE3  TRP  25           HE3      TRP  25  -8.416 -11.625 -13.551
  179    HZ2  TRP  25           HZ2      TRP  25  -7.640 -13.366  -8.949
  180    HZ3  TRP  25           HZ3      TRP  25  -6.934 -13.581 -13.186
  181    HH2  TRP  25           HH2      TRP  25  -6.592 -14.501 -10.912
  182    H    ALA  26           H        ALA  26 -11.174 -11.148 -14.439
  183    HA   ALA  26           HA       ALA  26 -11.945 -13.541 -12.997
  184   1HB   ALA  26          HB1       ALA  26 -13.056 -13.053 -15.804
  185   2HB   ALA  26          HB2       ALA  26 -13.269 -14.501 -14.795
  186   3HB   ALA  26          HB3       ALA  26 -14.027 -12.978 -14.315
  187    HA   PRO  27           HA       PRO  27  -8.089 -14.388 -14.806
  188   1HB   PRO  27          HB2       PRO  27  -7.831 -17.119 -14.637
  189   2HB   PRO  27          HB3       PRO  27  -7.900 -16.047 -13.207
  190   1HG   PRO  27          HG2       PRO  27 -10.161 -17.631 -14.458
  191   2HG   PRO  27          HG3       PRO  27  -9.707 -17.507 -12.725
  192   1HD   PRO  27          HD2       PRO  27 -11.703 -15.992 -13.841
  193   2HD   PRO  27          HD3       PRO  27 -10.649 -15.365 -12.533
  194    H    TRP  28           H        TRP  28 -10.836 -15.671 -16.532
  195    HA   TRP  28           HA       TRP  28  -9.184 -16.472 -18.843
  196   1HB   TRP  28          HB2       TRP  28 -11.536 -17.059 -19.727
  197   2HB   TRP  28          HB3       TRP  28 -10.832 -18.011 -18.442
  198    HD1  TRP  28           HD1      TRP  28 -12.968 -14.767 -18.172
  199    HE1  TRP  28           HE1      TRP  28 -14.957 -15.214 -16.649
  200    HE3  TRP  28           HE3      TRP  28 -12.064 -19.697 -17.111
  201    HZ2  TRP  28           HZ2      TRP  28 -15.991 -17.415 -15.064
  202    HZ3  TRP  28           HZ3      TRP  28 -13.559 -20.935 -15.569
  203    HH2  TRP  28           HH2      TRP  28 -15.522 -19.808 -14.544
  204    H    CYS  29           H        CYS  29 -10.352 -13.519 -17.688
  205    HA   CYS  29           HA       CYS  29 -11.306 -12.509 -20.290
  206   1HB   CYS  29          HB2       CYS  29 -12.432 -11.848 -18.166
  207   2HB   CYS  29          HB3       CYS  29 -10.907 -11.138 -17.604
  208    HG   CYS  29           HG       CYS  29 -12.765 -10.384 -20.248
  209    H    GLY  30           H        GLY  30  -9.770 -11.922 -21.759
  210   1HA   GLY  30          HA2       GLY  30  -7.015 -11.561 -21.323
  211   2HA   GLY  30          HA3       GLY  30  -7.936 -10.932 -22.697
  212    HA   PRO  31           HA       PRO  31  -7.857  -6.731 -21.250
  213   1HB   PRO  31          HB2       PRO  31 -10.697  -6.940 -20.239
  214   2HB   PRO  31          HB3       PRO  31  -9.916  -5.568 -21.091
  215   1HG   PRO  31          HG2       PRO  31 -11.438  -7.324 -22.470
  216   2HG   PRO  31          HG3       PRO  31  -9.851  -6.820 -23.142
  217   1HD   PRO  31          HD2       PRO  31 -10.570  -9.385 -21.732
  218   2HD   PRO  31          HD3       PRO  31  -9.488  -9.124 -23.127
  219    H    CYS  32           H        CYS  32  -9.349  -8.833 -18.667
  220    HA   CYS  32           HA       CYS  32  -8.502  -7.229 -16.477
  221   1HB   CYS  32          HB2       CYS  32  -8.824 -10.261 -16.673
  222   2HB   CYS  32          HB3       CYS  32  -8.532  -9.369 -15.180
  223    HG   CYS  32           HG       CYS  32 -10.606  -7.856 -15.252
  224    H    LYS  33           H        LYS  33  -6.692  -9.685 -18.399
  225    HA   LYS  33           HA       LYS  33  -4.335  -9.600 -16.707
  226   1HB   LYS  33          HB2       LYS  33  -4.519 -10.324 -19.667
  227   2HB   LYS  33          HB3       LYS  33  -3.192 -10.690 -18.570
  228   1HG   LYS  33          HG2       LYS  33  -4.645 -12.162 -17.236
  229   2HG   LYS  33          HG3       LYS  33  -6.030 -11.765 -18.267
  230   1HD   LYS  33          HD2       LYS  33  -4.771 -12.669 -20.245
  231   2HD   LYS  33          HD3       LYS  33  -3.512 -13.247 -19.144
  232   1HE   LYS  33          HE2       LYS  33  -6.476 -13.976 -18.974
  233   2HE   LYS  33          HE3       LYS  33  -5.273 -14.965 -19.805
  234   1HZ   LYS  33          HZ1       LYS  33  -4.224 -15.447 -17.758
  235   2HZ   LYS  33          HZ2       LYS  33  -5.048 -14.288 -16.936
  236   3HZ   LYS  33          HZ3       LYS  33  -5.842 -15.598 -17.474
  237    H    MET  34           H        MET  34  -5.448  -7.796 -19.597
  238    HA   MET  34           HA       MET  34  -2.997  -6.415 -20.028
  239   1HB   MET  34          HB2       MET  34  -5.837  -5.590 -20.768
  240   2HB   MET  34          HB3       MET  34  -4.371  -4.845 -21.394
  241   1HG   MET  34          HG2       MET  34  -5.149  -7.759 -21.718
  242   2HG   MET  34          HG3       MET  34  -5.360  -6.517 -22.944
  243   1HE   MET  34          HE1       MET  34  -2.586  -4.862 -22.876
  244   2HE   MET  34          HE2       MET  34  -1.704  -5.773 -24.117
  245   3HE   MET  34          HE3       MET  34  -3.433  -5.426 -24.336
  246    H    ILE  35           H        ILE  35  -5.916  -5.474 -18.100
  247    HA   ILE  35           HA       ILE  35  -4.709  -2.930 -17.435
  248    HB   ILE  35           HB       ILE  35  -7.180  -3.443 -17.627
  249   1HG1  ILE  35          HG12      ILE  35  -6.176  -1.936 -15.181
  250   2HG1  ILE  35          HG13      ILE  35  -6.318  -1.321 -16.829
  251   1HG2  ILE  35          HG21      ILE  35  -8.404  -4.301 -15.739
  252   2HG2  ILE  35          HG22      ILE  35  -7.170  -5.475 -16.174
  253   3HG2  ILE  35          HG23      ILE  35  -6.928  -4.431 -14.759
  254   1HD1  ILE  35          HD11      ILE  35  -8.198  -0.497 -15.618
  255   2HD1  ILE  35          HD12      ILE  35  -8.830  -1.787 -16.664
  256   3HD1  ILE  35          HD13      ILE  35  -8.569  -2.091 -14.934
  257    H    ALA  36           H        ALA  36  -4.359  -6.153 -16.103
  258    HA   ALA  36           HA       ALA  36  -4.001  -5.605 -13.419
  259   1HB   ALA  36          HB1       ALA  36  -4.072  -7.873 -14.282
  260   2HB   ALA  36          HB2       ALA  36  -2.486  -7.672 -15.056
  261   3HB   ALA  36          HB3       ALA  36  -2.624  -7.636 -13.290
  262    HA   PRO  37           HA       PRO  37   0.605  -4.495 -13.757
  263   1HB   PRO  37          HB2       PRO  37   1.678  -3.581 -16.139
  264   2HB   PRO  37          HB3       PRO  37   1.734  -5.285 -15.593
  265   1HG   PRO  37          HG2       PRO  37  -0.262  -3.998 -17.480
  266   2HG   PRO  37          HG3       PRO  37   0.631  -5.538 -17.694
  267   1HD   PRO  37          HD2       PRO  37  -1.902  -5.524 -16.789
  268   2HD   PRO  37          HD3       PRO  37  -0.706  -6.643 -16.085
  269    H    VAL  38           H        VAL  38  -1.859  -2.751 -15.668
  270    HA   VAL  38           HA       VAL  38  -0.788  -0.143 -15.131
  271    HB   VAL  38           HB       VAL  38  -3.701  -0.814 -15.715
  272   1HG1  VAL  38          HG11      VAL  38  -1.983   1.619 -16.358
  273   2HG1  VAL  38          HG12      VAL  38  -3.700   1.410 -16.752
  274   3HG1  VAL  38          HG13      VAL  38  -3.201   1.530 -15.062
  275   1HG2  VAL  38          HG21      VAL  38  -2.418  -1.928 -17.484
  276   2HG2  VAL  38          HG22      VAL  38  -3.130  -0.447 -18.118
  277   3HG2  VAL  38          HG23      VAL  38  -1.405  -0.482 -17.703
  278    H    LEU  39           H        LEU  39  -3.077  -2.374 -13.471
  279    HA   LEU  39           HA       LEU  39  -3.658  -0.562 -11.328
  280   1HB   LEU  39          HB2       LEU  39  -3.755  -3.604 -11.391
  281   2HB   LEU  39          HB3       LEU  39  -4.364  -2.600 -10.084
  282    HG   LEU  39           HG       LEU  39  -5.417  -2.595 -12.945
  283   1HD1  LEU  39          HD11      LEU  39  -5.980  -4.630 -11.694
  284   2HD1  LEU  39          HD12      LEU  39  -6.637  -3.649 -10.362
  285   3HD1  LEU  39          HD13      LEU  39  -7.410  -3.630 -11.965
  286   1HD2  LEU  39          HD21      LEU  39  -5.718  -0.372 -12.005
  287   2HD2  LEU  39          HD22      LEU  39  -7.268  -1.202 -12.014
  288   3HD2  LEU  39          HD23      LEU  39  -6.359  -1.057 -10.491
  289    H    GLU  40           H        GLU  40  -1.037  -3.008 -11.818
  290    HA   GLU  40           HA       GLU  40   0.112  -2.553  -9.243
  291   1HB   GLU  40          HB2       GLU  40   1.514  -3.350 -11.816
  292   2HB   GLU  40          HB3       GLU  40   2.255  -3.297 -10.207
  293   1HG   GLU  40          HG2       GLU  40   0.575  -4.935  -9.381
  294   2HG   GLU  40          HG3       GLU  40  -0.107  -5.055 -11.001
  295    H    GLU  41           H        GLU  41   0.623  -0.794 -12.346
  296    HA   GLU  41           HA       GLU  41   2.512   1.037 -11.259
  297   1HB   GLU  41          HB2       GLU  41   0.568   1.249 -13.585
  298   2HB   GLU  41          HB3       GLU  41   1.662   2.559 -13.159
  299   1HG   GLU  41          HG2       GLU  41   2.597  -0.263 -13.823
  300   2HG   GLU  41          HG3       GLU  41   2.482   1.048 -14.989
  301    H    LEU  42           H        LEU  42  -1.066   1.088 -11.262
  302    HA   LEU  42           HA       LEU  42  -1.324   3.674 -10.129
  303   1HB   LEU  42          HB2       LEU  42  -3.086   2.285 -11.285
  304   2HB   LEU  42          HB3       LEU  42  -3.214   1.296  -9.842
  305    HG   LEU  42           HG       LEU  42  -4.981   2.990 -10.207
  306   1HD1  LEU  42          HD11      LEU  42  -5.269   3.743  -7.949
  307   2HD1  LEU  42          HD12      LEU  42  -4.698   2.077  -7.985
  308   3HD1  LEU  42          HD13      LEU  42  -3.583   3.394  -7.560
  309   1HD2  LEU  42          HD21      LEU  42  -2.928   5.093  -9.428
  310   2HD2  LEU  42          HD22      LEU  42  -3.583   4.851 -11.067
  311   3HD2  LEU  42          HD23      LEU  42  -4.655   5.325  -9.744
  312    H    ASP  43           H        ASP  43  -0.906   0.434  -8.660
  313    HA   ASP  43           HA       ASP  43  -1.193   1.240  -5.932
  314   1HB   ASP  43          HB2       ASP  43  -1.363  -1.043  -6.269
  315   2HB   ASP  43          HB3       ASP  43   0.008  -1.115  -7.366
  316    H    GLN  44           H        GLN  44   1.654   1.007  -8.142
  317    HA   GLN  44           HA       GLN  44   3.534   1.839  -6.169
  318   1HB   GLN  44          HB2       GLN  44   3.532   1.943  -9.202
  319   2HB   GLN  44          HB3       GLN  44   4.944   2.377  -8.223
  320   1HG   GLN  44          HG2       GLN  44   3.601  -0.360  -8.326
  321   2HG   GLN  44          HG3       GLN  44   5.135   0.078  -9.046
  322   1HE2  GLN  44          HE22      GLN  44   3.504  -1.001  -6.119
  323   2HE2  GLN  44          HE21      GLN  44   4.949  -1.068  -5.138
  324    H    GLU  45           H        GLU  45   1.328   3.679  -8.218
  325    HA   GLU  45           HA       GLU  45   2.628   6.223  -7.698
  326   1HB   GLU  45          HB2       GLU  45   1.446   5.559  -9.817
  327   2HB   GLU  45          HB3       GLU  45  -0.078   5.563  -8.939
  328   1HG   GLU  45          HG2       GLU  45   0.044   7.611 -10.113
  329   2HG   GLU  45          HG3       GLU  45   0.326   8.024  -8.430
  330    H    MET  46           H        MET  46  -0.353   4.582  -6.538
  331    HA   MET  46           HA       MET  46  -0.820   6.786  -4.563
  332   1HB   MET  46          HB2       MET  46  -2.872   5.259  -6.212
  333   2HB   MET  46          HB3       MET  46  -3.206   6.579  -5.096
  334   1HG   MET  46          HG2       MET  46  -1.626   6.843  -7.671
  335   2HG   MET  46          HG3       MET  46  -3.334   7.183  -7.497
  336   1HE   MET  46          HE1       MET  46  -4.312   9.396  -6.991
  337   2HE   MET  46          HE2       MET  46  -4.084   8.908  -5.292
  338   3HE   MET  46          HE3       MET  46  -3.628  10.543  -5.821
  339    H    GLY  47           H        GLY  47  -0.165   3.488  -4.701
  340   1HA   GLY  47          HA2       GLY  47  -2.288   2.282  -3.264
  341   2HA   GLY  47          HA3       GLY  47  -0.720   1.586  -3.621
  342    H    ASP  48           H        ASP  48  -1.615   4.369  -1.665
  343    HA   ASP  48           HA       ASP  48  -1.257   3.032   0.850
  344   1HB   ASP  48          HB2       ASP  48   1.089   3.906   0.225
  345   2HB   ASP  48          HB3       ASP  48   0.408   5.531   0.329
  346    H    LYS  49           H        LYS  49  -1.759   6.018  -1.031
  347    HA   LYS  49           HA       LYS  49  -3.522   7.362   0.756
  348   1HB   LYS  49          HB2       LYS  49  -3.399   7.415  -2.294
  349   2HB   LYS  49          HB3       LYS  49  -4.182   8.617  -1.261
  350   1HG   LYS  49          HG2       LYS  49  -1.994   9.248  -0.294
  351   2HG   LYS  49          HG3       LYS  49  -1.184   8.015  -1.279
  352   1HD   LYS  49          HD2       LYS  49  -1.980   9.158  -3.347
  353   2HD   LYS  49          HD3       LYS  49  -2.672  10.447  -2.335
  354   1HE   LYS  49          HE2       LYS  49  -0.432  10.921  -1.392
  355   2HE   LYS  49          HE3       LYS  49   0.266   9.622  -2.366
  356   1HZ   LYS  49          HZ1       LYS  49   0.599  11.775  -3.392
  357   2HZ   LYS  49          HZ2       LYS  49  -0.348  10.867  -4.357
  358   3HZ   LYS  49          HZ3       LYS  49  -0.999  12.072  -3.455
  359    H    LEU  50           H        LEU  50  -3.921   4.742  -1.597
  360    HA   LEU  50           HA       LEU  50  -6.488   4.096  -0.397
  361   1HB   LEU  50          HB2       LEU  50  -7.676   3.985  -2.324
  362   2HB   LEU  50          HB3       LEU  50  -6.612   5.307  -2.760
  363    HG   LEU  50           HG       LEU  50  -6.212   2.390  -3.629
  364   1HD1  LEU  50          HD11      LEU  50  -7.513   4.727  -5.036
  365   2HD1  LEU  50          HD12      LEU  50  -7.048   3.200  -5.811
  366   3HD1  LEU  50          HD13      LEU  50  -8.275   3.220  -4.526
  367   1HD2  LEU  50          HD21      LEU  50  -4.123   3.575  -3.706
  368   2HD2  LEU  50          HD22      LEU  50  -4.729   3.406  -5.345
  369   3HD2  LEU  50          HD23      LEU  50  -4.874   4.970  -4.502
  370    H    LYS  51           H        LYS  51  -7.056   1.755  -0.942
  371    HA   LYS  51           HA       LYS  51  -4.621   0.093  -1.429
  372   1HB   LYS  51          HB2       LYS  51  -5.460  -1.616  -0.073
  373   2HB   LYS  51          HB3       LYS  51  -5.733  -0.135   0.857
  374   1HG   LYS  51          HG2       LYS  51  -8.104  -0.124   0.048
  375   2HG   LYS  51          HG3       LYS  51  -7.791  -1.639  -0.805
  376   1HD   LYS  51          HD2       LYS  51  -8.978  -2.142   1.157
  377   2HD   LYS  51          HD3       LYS  51  -7.339  -2.783   1.310
  378   1HE   LYS  51          HE2       LYS  51  -6.714  -1.066   2.879
  379   2HE   LYS  51          HE3       LYS  51  -8.172  -0.109   2.537
  380   1HZ   LYS  51          HZ1       LYS  51  -9.504  -1.725   3.564
  381   2HZ   LYS  51          HZ2       LYS  51  -8.316  -2.845   3.660
  382   3HZ   LYS  51          HZ3       LYS  51  -8.266  -1.522   4.631
  383    H    ILE  52           H        ILE  52  -5.057  -1.799  -2.841
  384    HA   ILE  52           HA       ILE  52  -7.408  -1.393  -4.635
  385    HB   ILE  52           HB       ILE  52  -4.786  -2.789  -5.281
  386   1HG1  ILE  52          HG12      ILE  52  -5.799  -0.008  -5.995
  387   2HG1  ILE  52          HG13      ILE  52  -4.314  -0.440  -5.148
  388   1HG2  ILE  52          HG21      ILE  52  -7.159  -2.162  -7.084
  389   2HG2  ILE  52          HG22      ILE  52  -5.648  -2.963  -7.572
  390   3HG2  ILE  52          HG23      ILE  52  -6.722  -3.769  -6.453
  391   1HD1  ILE  52          HD11      ILE  52  -3.544  -1.572  -7.311
  392   2HD1  ILE  52          HD12      ILE  52  -4.914  -0.742  -8.094
  393   3HD1  ILE  52          HD13      ILE  52  -3.636   0.195  -7.299
  394    H    VAL  53           H        VAL  53  -8.799  -3.235  -4.786
  395    HA   VAL  53           HA       VAL  53  -7.959  -5.648  -3.233
  396    HB   VAL  53           HB       VAL  53 -10.788  -4.539  -3.297
  397   1HG1  VAL  53          HG11      VAL  53 -11.197  -6.190  -1.518
  398   2HG1  VAL  53          HG12      VAL  53 -10.684  -6.981  -3.014
  399   3HG1  VAL  53          HG13      VAL  53  -9.532  -6.790  -1.671
  400   1HG2  VAL  53          HG21      VAL  53 -10.517  -3.944  -0.943
  401   2HG2  VAL  53          HG22      VAL  53  -8.809  -4.448  -0.979
  402   3HG2  VAL  53          HG23      VAL  53  -9.356  -3.055  -1.928
  403    H    LYS  54           H        LYS  54  -7.593  -7.145  -4.732
  404    HA   LYS  54           HA       LYS  54  -8.999  -7.206  -7.321
  405   1HB   LYS  54          HB2       LYS  54  -7.308  -9.413  -6.080
  406   2HB   LYS  54          HB3       LYS  54  -7.610  -9.118  -7.788
  407   1HG   LYS  54          HG2       LYS  54  -5.888  -7.451  -5.905
  408   2HG   LYS  54          HG3       LYS  54  -5.291  -8.577  -7.093
  409   1HD   LYS  54          HD2       LYS  54  -6.920  -6.087  -7.795
  410   2HD   LYS  54          HD3       LYS  54  -5.176  -6.095  -7.721
  411   1HE   LYS  54          HE2       LYS  54  -6.867  -7.748  -9.604
  412   2HE   LYS  54          HE3       LYS  54  -5.938  -6.280  -9.972
  413   1HZ   LYS  54          HZ1       LYS  54  -4.754  -8.270 -10.651
  414   2HZ   LYS  54          HZ2       LYS  54  -3.906  -7.500  -9.490
  415   3HZ   LYS  54          HZ3       LYS  54  -4.746  -8.863  -9.138
  416    H    ILE  55           H        ILE  55 -10.888  -8.436  -7.668
  417    HA   ILE  55           HA       ILE  55 -11.561 -10.551  -5.722
  418    HB   ILE  55           HB       ILE  55 -12.488  -8.638  -4.712
  419   1HG1  ILE  55          HG12      ILE  55 -14.779 -10.081  -6.086
  420   2HG1  ILE  55          HG13      ILE  55 -13.761 -10.775  -4.814
  421   1HG2  ILE  55          HG21      ILE  55 -13.945  -7.920  -7.272
  422   2HG2  ILE  55          HG22      ILE  55 -14.115  -7.102  -5.715
  423   3HG2  ILE  55          HG23      ILE  55 -12.582  -7.028  -6.567
  424   1HD1  ILE  55          HD11      ILE  55 -15.547  -8.333  -4.488
  425   2HD1  ILE  55          HD12      ILE  55 -15.804  -9.952  -3.828
  426   3HD1  ILE  55          HD13      ILE  55 -14.439  -8.988  -3.254
  427    H    ASP  56           H        ASP  56 -11.971 -12.328  -6.836
  428    HA   ASP  56           HA       ASP  56 -12.357 -12.215  -9.742
  429   1HB   ASP  56          HB2       ASP  56 -10.770 -13.791  -8.814
  430   2HB   ASP  56          HB3       ASP  56 -12.008 -14.496  -7.773
  431    H    VAL  57           H        VAL  57 -14.402 -12.097 -10.591
  432    HA   VAL  57           HA       VAL  57 -16.730 -12.250  -8.970
  433    HB   VAL  57           HB       VAL  57 -18.007 -12.088 -11.044
  434   1HG1  VAL  57          HG11      VAL  57 -15.571 -10.257 -11.072
  435   2HG1  VAL  57          HG12      VAL  57 -17.162  -9.934 -11.795
  436   3HG1  VAL  57          HG13      VAL  57 -17.008 -10.078 -10.042
  437   1HG2  VAL  57          HG21      VAL  57 -16.722 -13.537 -12.561
  438   2HG2  VAL  57          HG22      VAL  57 -16.912 -11.922 -13.247
  439   3HG2  VAL  57          HG23      VAL  57 -15.364 -12.398 -12.526
  440    H    ASP  58           H        ASP  58 -14.966 -14.822 -10.600
  441    HA   ASP  58           HA       ASP  58 -17.206 -16.645 -10.794
  442   1HB   ASP  58          HB2       ASP  58 -15.176 -16.718 -12.247
  443   2HB   ASP  58          HB3       ASP  58 -14.227 -17.227 -10.847
  444    H    GLU  59           H        GLU  59 -15.629 -15.478  -8.092
  445    HA   GLU  59           HA       GLU  59 -16.657 -17.756  -6.470
  446   1HB   GLU  59          HB2       GLU  59 -14.052 -16.231  -6.001
  447   2HB   GLU  59          HB3       GLU  59 -14.784 -17.376  -4.872
  448   1HG   GLU  59          HG2       GLU  59 -14.613 -19.160  -6.639
  449   2HG   GLU  59          HG3       GLU  59 -13.685 -18.029  -7.630
  450    H    ASN  60           H        ASN  60 -17.363 -14.737  -7.367
  451    HA   ASN  60           HA       ASN  60 -18.138 -13.766  -4.663
  452   1HB   ASN  60          HB2       ASN  60 -16.331 -12.285  -6.614
  453   2HB   ASN  60          HB3       ASN  60 -17.197 -11.499  -5.312
  454   1HD2  ASN  60          HD22      ASN  60 -14.444 -13.454  -6.057
  455   2HD2  ASN  60          HD21      ASN  60 -13.872 -13.645  -4.403
  456    H    GLN  61           H        GLN  61 -19.848 -14.896  -6.339
  457    HA   GLN  61           HA       GLN  61 -21.191 -13.216  -8.202
  458   1HB   GLN  61          HB2       GLN  61 -22.474 -15.339  -6.412
  459   2HB   GLN  61          HB3       GLN  61 -23.053 -14.723  -7.937
  460   1HG   GLN  61          HG2       GLN  61 -22.239 -16.897  -8.324
  461   2HG   GLN  61          HG3       GLN  61 -21.120 -15.780  -9.097
  462   1HE2  GLN  61          HE22      GLN  61 -20.912 -16.422  -5.474
  463   2HE2  GLN  61          HE21      GLN  61 -19.480 -17.391  -5.638
  464    H    GLU  62           H        GLU  62 -21.550 -13.850  -4.720
  465    HA   GLU  62           HA       GLU  62 -23.816 -12.261  -4.274
  466   1HB   GLU  62          HB2       GLU  62 -21.616 -13.174  -2.351
  467   2HB   GLU  62          HB3       GLU  62 -23.202 -12.555  -1.880
  468   1HG   GLU  62          HG2       GLU  62 -23.722 -14.739  -1.747
  469   2HG   GLU  62          HG3       GLU  62 -24.058 -14.558  -3.462
  470    H    THR  63           H        THR  63 -20.323 -11.370  -4.129
  471    HA   THR  63           HA       THR  63 -20.959  -8.765  -3.081
  472    HB   THR  63           HB       THR  63 -18.387  -8.876  -4.377
  473    HG1  THR  63           HG1      THR  63 -17.516 -10.567  -3.060
  474   1HG2  THR  63          HG21      THR  63 -19.208  -8.748  -1.458
  475   2HG2  THR  63          HG22      THR  63 -17.586  -8.395  -2.108
  476   3HG2  THR  63          HG23      THR  63 -18.964  -7.374  -2.559
  477    H    ALA  64           H        ALA  64 -19.963 -10.077  -6.330
  478    HA   ALA  64           HA       ALA  64 -19.851  -7.490  -7.475
  479   1HB   ALA  64          HB1       ALA  64 -19.768  -8.721  -9.616
  480   2HB   ALA  64          HB2       ALA  64 -18.826  -9.604  -8.404
  481   3HB   ALA  64          HB3       ALA  64 -20.451 -10.172  -8.842
  482    H    GLY  65           H        GLY  65 -22.515  -9.915  -7.405
  483   1HA   GLY  65          HA2       GLY  65 -24.465  -8.432  -8.818
  484   2HA   GLY  65          HA3       GLY  65 -24.758  -9.710  -7.625
  485    H    LYS  66           H        LYS  66 -23.227  -8.003  -5.530
  486    HA   LYS  66           HA       LYS  66 -25.463  -6.695  -4.346
  487   1HB   LYS  66          HB2       LYS  66 -23.022  -7.518  -3.462
  488   2HB   LYS  66          HB3       LYS  66 -22.674  -5.809  -3.654
  489   1HG   LYS  66          HG2       LYS  66 -24.688  -5.328  -2.194
  490   2HG   LYS  66          HG3       LYS  66 -24.884  -7.070  -1.970
  491   1HD   LYS  66          HD2       LYS  66 -22.563  -5.317  -1.093
  492   2HD   LYS  66          HD3       LYS  66 -23.711  -6.150  -0.055
  493   1HE   LYS  66          HE2       LYS  66 -21.471  -7.356  -1.724
  494   2HE   LYS  66          HE3       LYS  66 -21.571  -7.264   0.028
  495   1HZ   LYS  66          HZ1       LYS  66 -22.104  -9.458  -0.620
  496   2HZ   LYS  66          HZ2       LYS  66 -23.513  -8.790  -0.117
  497   3HZ   LYS  66          HZ3       LYS  66 -23.208  -9.003  -1.730
  498    H    TYR  67           H        TYR  67 -23.004  -5.617  -6.639
  499    HA   TYR  67           HA       TYR  67 -24.200  -2.883  -6.647
  500   1HB   TYR  67          HB2       TYR  67 -21.500  -3.504  -7.800
  501   2HB   TYR  67          HB3       TYR  67 -22.117  -1.990  -7.159
  502    HD1  TYR  67           HD1      TYR  67 -20.234  -4.990  -6.518
  503    HD2  TYR  67           HD2      TYR  67 -22.469  -1.869  -4.546
  504    HE1  TYR  67           HE1      TYR  67 -19.310  -5.710  -4.373
  505    HE2  TYR  67           HE2      TYR  67 -21.500  -2.545  -2.372
  506    HH   TYR  67           HH       TYR  67 -20.185  -4.104  -1.250
  507    H    GLY  68           H        GLY  68 -24.845  -5.579  -8.176
  508   1HA   GLY  68          HA2       GLY  68 -25.728  -6.119 -10.182
  509   2HA   GLY  68          HA3       GLY  68 -25.705  -4.401 -10.620
  510    H    VAL  69           H        VAL  69 -22.664  -5.958  -9.769
  511    HA   VAL  69           HA       VAL  69 -21.666  -5.614 -12.532
  512    HB   VAL  69           HB       VAL  69 -20.291  -6.349  -9.903
  513   1HG1  VAL  69          HG11      VAL  69 -18.167  -5.918 -11.118
  514   2HG1  VAL  69          HG12      VAL  69 -19.019  -7.316 -11.771
  515   3HG1  VAL  69          HG13      VAL  69 -19.070  -5.766 -12.640
  516   1HG2  VAL  69          HG21      VAL  69 -21.069  -3.998  -9.965
  517   2HG2  VAL  69          HG22      VAL  69 -19.309  -4.099 -10.039
  518   3HG2  VAL  69          HG23      VAL  69 -20.247  -3.759 -11.512
  519    H    MET  70           H        MET  70 -21.531  -7.324 -13.896
  520    HA   MET  70           HA       MET  70 -20.746  -9.904 -12.910
  521   1HB   MET  70          HB2       MET  70 -23.573  -9.497 -13.441
  522   2HB   MET  70          HB3       MET  70 -22.949 -10.613 -14.643
  523   1HG   MET  70          HG2       MET  70 -22.636 -10.861 -11.632
  524   2HG   MET  70          HG3       MET  70 -23.736 -11.796 -12.637
  525   1HE   MET  70          HE1       MET  70 -20.723 -14.112 -11.140
  526   2HE   MET  70          HE2       MET  70 -21.221 -12.555 -10.446
  527   3HE   MET  70          HE3       MET  70 -22.452 -13.734 -10.960
  528    H    SER  71           H        SER  71 -19.643  -7.752 -14.455
  529    HA   SER  71           HA       SER  71 -18.764  -9.175 -16.826
  530   1HB   SER  71          HB2       SER  71 -19.704  -6.267 -16.895
  531   2HB   SER  71          HB3       SER  71 -18.987  -7.171 -18.238
  532    HG   SER  71           HG       SER  71 -21.277  -7.063 -18.366
  533    H    ILE  72           H        ILE  72 -16.597  -8.313 -17.439
  534    HA   ILE  72           HA       ILE  72 -15.245  -6.750 -15.355
  535    HB   ILE  72           HB       ILE  72 -13.624  -8.476 -14.964
  536   1HG1  ILE  72          HG12      ILE  72 -13.646  -9.727 -17.048
  537   2HG1  ILE  72          HG13      ILE  72 -13.669 -10.716 -15.615
  538   1HG2  ILE  72          HG21      ILE  72 -15.530  -8.336 -13.444
  539   2HG2  ILE  72          HG22      ILE  72 -16.380  -9.585 -14.365
  540   3HG2  ILE  72          HG23      ILE  72 -14.869  -9.976 -13.537
  541   1HD1  ILE  72          HD11      ILE  72 -16.023 -10.252 -17.481
  542   2HD1  ILE  72          HD12      ILE  72 -15.059 -11.718 -17.302
  543   3HD1  ILE  72          HD13      ILE  72 -16.094 -11.195 -15.968
  544    HA   PRO  73           HA       PRO  73 -12.737  -6.556 -14.980
  545   1HB   PRO  73          HB2       PRO  73 -11.134  -4.371 -15.498
  546   2HB   PRO  73          HB3       PRO  73 -10.603  -6.062 -15.651
  547   1HG   PRO  73          HG2       PRO  73 -11.489  -4.174 -17.817
  548   2HG   PRO  73          HG3       PRO  73 -10.173  -5.392 -17.859
  549   1HD   PRO  73          HD2       PRO  73 -12.646  -5.817 -18.986
  550   2HD   PRO  73          HD3       PRO  73 -11.662  -7.133 -18.280
  551    H    THR  74           H        THR  74 -13.748  -5.282 -13.498
  552    HA   THR  74           HA       THR  74 -14.997  -2.735 -14.388
  553    HB   THR  74           HB       THR  74 -16.343  -4.980 -12.841
  554    HG1  THR  74           HG1      THR  74 -17.189  -5.381 -14.669
  555   1HG2  THR  74          HG21      THR  74 -17.208  -2.095 -13.329
  556   2HG2  THR  74          HG22      THR  74 -18.334  -3.396 -12.887
  557   3HG2  THR  74          HG23      THR  74 -17.035  -2.938 -11.777
  558    H    LEU  75           H        LEU  75 -14.378  -1.150 -13.136
  559    HA   LEU  75           HA       LEU  75 -12.888  -1.749 -10.628
  560   1HB   LEU  75          HB2       LEU  75 -12.878   0.692 -12.457
  561   2HB   LEU  75          HB3       LEU  75 -11.998   0.551 -10.946
  562    HG   LEU  75           HG       LEU  75 -11.527  -1.093 -13.471
  563   1HD1  LEU  75          HD11      LEU  75  -9.800   1.017 -12.112
  564   2HD1  LEU  75          HD12      LEU  75  -9.392   0.111 -13.579
  565   3HD1  LEU  75          HD13      LEU  75 -10.746   1.249 -13.600
  566   1HD2  LEU  75          HD21      LEU  75 -10.061  -1.218 -10.799
  567   2HD2  LEU  75          HD22      LEU  75 -11.014  -2.509 -11.571
  568   3HD2  LEU  75          HD23      LEU  75  -9.516  -1.982 -12.316
  569    H    LEU  76           H        LEU  76 -13.785  -0.996  -8.759
  570    HA   LEU  76           HA       LEU  76 -16.027   0.984  -8.937
  571   1HB   LEU  76          HB2       LEU  76 -15.854  -1.549  -7.309
  572   2HB   LEU  76          HB3       LEU  76 -16.453  -0.091  -6.524
  573    HG   LEU  76           HG       LEU  76 -18.164   0.184  -8.280
  574   1HD1  LEU  76          HD11      LEU  76 -17.326  -2.620  -9.153
  575   2HD1  LEU  76          HD12      LEU  76 -18.761  -1.730  -9.715
  576   3HD1  LEU  76          HD13      LEU  76 -17.149  -1.138 -10.110
  577   1HD2  LEU  76          HD21      LEU  76 -18.643  -0.909  -6.107
  578   2HD2  LEU  76          HD22      LEU  76 -19.655  -1.530  -7.413
  579   3HD2  LEU  76          HD23      LEU  76 -18.283  -2.490  -6.822
  580    H    VAL  77           H        VAL  77 -15.569   2.804  -7.798
  581    HA   VAL  77           HA       VAL  77 -13.125   2.769  -6.079
  582    HB   VAL  77           HB       VAL  77 -14.650   5.226  -7.003
  583   1HG1  VAL  77          HG11      VAL  77 -12.564   6.372  -6.287
  584   2HG1  VAL  77          HG12      VAL  77 -13.274   5.463  -4.951
  585   3HG1  VAL  77          HG13      VAL  77 -11.864   4.813  -5.810
  586   1HG2  VAL  77          HG21      VAL  77 -12.141   4.021  -8.253
  587   2HG2  VAL  77          HG22      VAL  77 -13.721   4.217  -9.044
  588   3HG2  VAL  77          HG23      VAL  77 -12.784   5.642  -8.595
  589    H    LEU  78           H        LEU  78 -13.570   2.680  -3.968
  590    HA   LEU  78           HA       LEU  78 -16.298   3.387  -2.989
  591   1HB   LEU  78          HB2       LEU  78 -14.524   1.160  -1.897
  592   2HB   LEU  78          HB3       LEU  78 -16.030   1.730  -1.213
  593    HG   LEU  78           HG       LEU  78 -16.922   1.097  -3.721
  594   1HD1  LEU  78          HD11      LEU  78 -14.726   0.214  -4.456
  595   2HD1  LEU  78          HD12      LEU  78 -14.728  -0.934  -3.108
  596   3HD1  LEU  78          HD13      LEU  78 -15.947  -1.066  -4.387
  597   1HD2  LEU  78          HD21      LEU  78 -17.948   0.346  -1.629
  598   2HD2  LEU  78          HD22      LEU  78 -17.766  -1.011  -2.750
  599   3HD2  LEU  78          HD23      LEU  78 -16.651  -0.838  -1.388
  600    H    LYS  79           H        LYS  79 -16.250   4.227  -0.780
  601    HA   LYS  79           HA       LYS  79 -13.629   4.959   0.311
  602   1HB   LYS  79          HB2       LYS  79 -14.327   6.850  -1.195
  603   2HB   LYS  79          HB3       LYS  79 -15.779   7.065  -0.202
  604   1HG   LYS  79          HG2       LYS  79 -14.383   7.592   1.767
  605   2HG   LYS  79          HG3       LYS  79 -12.917   7.224   0.846
  606   1HD   LYS  79          HD2       LYS  79 -13.639   9.065  -0.795
  607   2HD   LYS  79          HD3       LYS  79 -14.871   9.524   0.394
  608   1HE   LYS  79          HE2       LYS  79 -13.099   9.963   2.074
  609   2HE   LYS  79          HE3       LYS  79 -11.873   9.358   0.951
  610   1HZ   LYS  79          HZ1       LYS  79 -12.594  11.176  -0.579
  611   2HZ   LYS  79          HZ2       LYS  79 -13.430  11.846   0.676
  612   3HZ   LYS  79          HZ3       LYS  79 -11.785  11.662   0.721
  613    H    ASP  80           H        ASP  80 -13.717   4.395   2.389
  614    HA   ASP  80           HA       ASP  80 -14.489   3.689   4.369
  615   1HB   ASP  80          HB2       ASP  80 -14.317   6.135   4.555
  616   2HB   ASP  80          HB3       ASP  80 -16.028   6.294   4.157
  617    H    GLY  81           H        GLY  81 -15.880   2.294   2.417
  618   1HA   GLY  81          HA2       GLY  81 -17.331   0.568   2.786
  619   2HA   GLY  81          HA3       GLY  81 -18.176   1.478   4.038
  620    H    GLU  82           H        GLU  82 -17.929   3.420   1.206
  621    HA   GLU  82           HA       GLU  82 -20.503   2.365   0.099
  622   1HB   GLU  82          HB2       GLU  82 -19.655   5.265   0.534
  623   2HB   GLU  82          HB3       GLU  82 -21.063   4.765  -0.392
  624   1HG   GLU  82          HG2       GLU  82 -20.603   4.330   2.579
  625   2HG   GLU  82          HG3       GLU  82 -21.680   5.511   1.836
  626    H    VAL  83           H        VAL  83 -20.669   2.468  -2.129
  627    HA   VAL  83           HA       VAL  83 -18.243   2.756  -3.749
  628    HB   VAL  83           HB       VAL  83 -21.143   2.534  -4.638
  629   1HG1  VAL  83          HG11      VAL  83 -19.601   3.259  -6.417
  630   2HG1  VAL  83          HG12      VAL  83 -18.510   1.904  -6.055
  631   3HG1  VAL  83          HG13      VAL  83 -20.130   1.604  -6.717
  632   1HG2  VAL  83          HG21      VAL  83 -19.173   0.270  -4.145
  633   2HG2  VAL  83          HG22      VAL  83 -20.680   0.558  -3.252
  634   3HG2  VAL  83          HG23      VAL  83 -20.742   0.112  -4.954
  635    H    VAL  84           H        VAL  84 -17.619   4.523  -4.782
  636    HA   VAL  84           HA       VAL  84 -19.394   6.906  -4.769
  637    HB   VAL  84           HB       VAL  84 -17.487   8.345  -4.523
  638   1HG1  VAL  84          HG11      VAL  84 -16.968   7.963  -2.191
  639   2HG1  VAL  84          HG12      VAL  84 -18.657   7.519  -2.477
  640   3HG1  VAL  84          HG13      VAL  84 -17.427   6.252  -2.303
  641   1HG2  VAL  84          HG21      VAL  84 -15.238   7.562  -3.987
  642   2HG2  VAL  84          HG22      VAL  84 -15.743   5.874  -4.167
  643   3HG2  VAL  84          HG23      VAL  84 -15.727   6.967  -5.579
  644    H    GLU  85           H        GLU  85 -17.413   4.674  -6.675
  645    HA   GLU  85           HA       GLU  85 -18.621   5.924  -9.006
  646   1HB   GLU  85          HB2       GLU  85 -15.855   6.578  -8.338
  647   2HB   GLU  85          HB3       GLU  85 -15.889   5.694  -9.850
  648   1HG   GLU  85          HG2       GLU  85 -17.596   8.153  -9.273
  649   2HG   GLU  85          HG3       GLU  85 -16.028   8.193 -10.035
  650    H    THR  86           H        THR  86 -18.159   4.703 -11.023
  651    HA   THR  86           HA       THR  86 -17.127   1.963 -10.707
  652    HB   THR  86           HB       THR  86 -19.962   2.639 -11.605
  653    HG1  THR  86           HG1      THR  86 -19.029   2.216  -9.258
  654   1HG2  THR  86          HG21      THR  86 -20.252   0.135 -11.754
  655   2HG2  THR  86          HG22      THR  86 -19.217   0.826 -13.011
  656   3HG2  THR  86          HG23      THR  86 -18.483  -0.024 -11.640
  657    H    SER  87           H        SER  87 -16.130   1.302 -12.573
  658    HA   SER  87           HA       SER  87 -16.522   2.723 -15.139
  659   1HB   SER  87          HB2       SER  87 -13.836   2.367 -13.720
  660   2HB   SER  87          HB3       SER  87 -14.083   3.046 -15.336
  661    HG   SER  87           HG       SER  87 -13.827   4.655 -13.728
  662    H    VAL  88           H        VAL  88 -15.702   1.376 -16.950
  663    HA   VAL  88           HA       VAL  88 -15.205  -1.473 -16.231
  664    HB   VAL  88           HB       VAL  88 -17.201  -0.469 -18.303
  665   1HG1  VAL  88          HG11      VAL  88 -16.246  -2.642 -18.945
  666   2HG1  VAL  88          HG12      VAL  88 -16.582  -3.294 -17.324
  667   3HG1  VAL  88          HG13      VAL  88 -17.912  -2.854 -18.416
  668   1HG2  VAL  88          HG21      VAL  88 -18.152  -0.087 -16.069
  669   2HG2  VAL  88          HG22      VAL  88 -18.958  -1.450 -16.837
  670   3HG2  VAL  88          HG23      VAL  88 -17.732  -1.747 -15.589
  671    H    GLY  89           H        GLY  89 -13.908  -2.579 -17.707
  672   1HA   GLY  89          HA2       GLY  89 -12.591  -2.942 -19.563
  673   2HA   GLY  89          HA3       GLY  89 -13.138  -1.418 -20.264
  674    H    PHE  90           H        PHE  90 -10.656  -1.831 -20.736
  675    HA   PHE  90           HA       PHE  90  -8.656  -1.212 -18.828
  676   1HB   PHE  90          HB2       PHE  90  -8.351  -2.264 -21.078
  677   2HB   PHE  90          HB3       PHE  90  -8.714  -0.720 -21.834
  678    HD1  PHE  90           HD1      PHE  90  -7.079   1.161 -21.723
  679    HD2  PHE  90           HD2      PHE  90  -6.206  -2.708 -20.013
  680    HE1  PHE  90           HE1      PHE  90  -4.674   1.755 -21.600
  681    HE2  PHE  90           HE2      PHE  90  -3.796  -2.117 -19.929
  682    HZ   PHE  90           HZ       PHE  90  -3.029   0.113 -20.714
  683    H    LYS  91           H        LYS  91  -7.562   0.745 -18.346
  684    HA   LYS  91           HA       LYS  91  -8.169   3.193 -19.696
  685   1HB   LYS  91          HB2       LYS  91  -9.523   2.626 -17.138
  686   2HB   LYS  91          HB3       LYS  91  -8.478   4.031 -16.993
  687   1HG   LYS  91          HG2       LYS  91  -9.627   5.300 -18.522
  688   2HG   LYS  91          HG3       LYS  91 -10.199   3.935 -19.462
  689   1HD   LYS  91          HD2       LYS  91 -11.241   4.689 -16.710
  690   2HD   LYS  91          HD3       LYS  91 -11.997   5.138 -18.238
  691   1HE   LYS  91          HE2       LYS  91 -11.630   2.293 -17.183
  692   2HE   LYS  91          HE3       LYS  91 -13.133   3.217 -17.225
  693   1HZ   LYS  91          HZ1       LYS  91 -11.618   2.239 -19.573
  694   2HZ   LYS  91          HZ2       LYS  91 -13.086   1.724 -19.050
  695   3HZ   LYS  91          HZ3       LYS  91 -12.937   3.228 -19.674
  696    HA   PRO  92           HA       PRO  92  -3.925   3.386 -18.538
  697   1HB   PRO  92          HB2       PRO  92  -3.257   6.010 -18.947
  698   2HB   PRO  92          HB3       PRO  92  -3.694   4.898 -20.278
  699   1HG   PRO  92          HG2       PRO  92  -5.473   6.902 -18.866
  700   2HG   PRO  92          HG3       PRO  92  -5.281   6.645 -20.628
  701   1HD   PRO  92          HD2       PRO  92  -7.332   5.529 -19.199
  702   2HD   PRO  92          HD3       PRO  92  -6.573   4.679 -20.580
  703    H    LYS  93           H        LYS  93  -2.406   4.122 -16.922
  704    HA   LYS  93           HA       LYS  93  -3.485   4.328 -14.337
  705   1HB   LYS  93          HB2       LYS  93  -1.291   3.356 -14.965
  706   2HB   LYS  93          HB3       LYS  93  -0.687   4.945 -15.379
  707   1HG   LYS  93          HG2       LYS  93  -1.686   4.983 -12.621
  708   2HG   LYS  93          HG3       LYS  93  -0.691   3.560 -12.866
  709   1HD   LYS  93          HD2       LYS  93   0.776   5.293 -12.125
  710   2HD   LYS  93          HD3       LYS  93   1.101   5.025 -13.852
  711   1HE   LYS  93          HE2       LYS  93  -0.373   6.972 -14.398
  712   2HE   LYS  93          HE3       LYS  93  -0.631   7.252 -12.672
  713   1HZ   LYS  93          HZ1       LYS  93   2.006   7.389 -14.024
  714   2HZ   LYS  93          HZ2       LYS  93   1.044   8.670 -13.678
  715   3HZ   LYS  93          HZ3       LYS  93   1.707   7.788 -12.453
  716    H    GLU  94           H        GLU  94  -2.345   6.943 -16.535
  717    HA   GLU  94           HA       GLU  94  -2.337   8.963 -14.538
  718   1HB   GLU  94          HB2       GLU  94  -2.680   9.040 -17.562
  719   2HB   GLU  94          HB3       GLU  94  -2.658  10.515 -16.598
  720   1HG   GLU  94          HG2       GLU  94  -0.384   8.488 -16.570
  721   2HG   GLU  94          HG3       GLU  94  -0.460   9.856 -17.675
  722    H    ALA  95           H        ALA  95  -4.959   7.859 -16.678
  723    HA   ALA  95           HA       ALA  95  -6.848   9.830 -15.802
  724   1HB   ALA  95          HB1       ALA  95  -7.036   8.589 -17.924
  725   2HB   ALA  95          HB2       ALA  95  -7.202   7.061 -17.016
  726   3HB   ALA  95          HB3       ALA  95  -8.468   8.307 -16.902
  727    H    LEU  96           H        LEU  96  -6.122   6.443 -14.884
  728    HA   LEU  96           HA       LEU  96  -8.242   6.206 -13.028
  729   1HB   LEU  96          HB2       LEU  96  -7.079   4.321 -14.112
  730   2HB   LEU  96          HB3       LEU  96  -5.603   4.705 -13.220
  731    HG   LEU  96           HG       LEU  96  -6.677   4.152 -11.099
  732   1HD1  LEU  96          HD11      LEU  96  -8.931   3.093 -11.030
  733   2HD1  LEU  96          HD12      LEU  96  -9.003   4.798 -11.455
  734   3HD1  LEU  96          HD13      LEU  96  -9.189   3.564 -12.725
  735   1HD2  LEU  96          HD21      LEU  96  -5.611   2.375 -12.503
  736   2HD2  LEU  96          HD22      LEU  96  -6.908   1.743 -11.483
  737   3HD2  LEU  96          HD23      LEU  96  -7.195   2.007 -13.213
  738    H    GLN  97           H        GLN  97  -4.786   7.240 -12.582
  739    HA   GLN  97           HA       GLN  97  -5.143   7.466  -9.738
  740   1HB   GLN  97          HB2       GLN  97  -3.057   8.473  -9.543
  741   2HB   GLN  97          HB3       GLN  97  -2.896   7.266 -10.805
  742   1HG   GLN  97          HG2       GLN  97  -1.682   9.083 -11.593
  743   2HG   GLN  97          HG3       GLN  97  -3.206   9.153 -12.465
  744   1HE2  GLN  97          HE22      GLN  97  -3.803  11.226 -12.813
  745   2HE2  GLN  97          HE21      GLN  97  -3.580  12.547 -11.678
  746    H    GLU  98           H        GLU  98  -5.839   9.626 -12.496
  747    HA   GLU  98           HA       GLU  98  -6.170  11.938 -10.872
  748   1HB   GLU  98          HB2       GLU  98  -5.871  12.043 -13.336
  749   2HB   GLU  98          HB3       GLU  98  -7.416  11.228 -13.562
  750   1HG   GLU  98          HG2       GLU  98  -7.830  13.495 -13.954
  751   2HG   GLU  98          HG3       GLU  98  -8.537  13.157 -12.385
  752    H    LEU  99           H        LEU  99  -8.408   9.424 -12.018
  753    HA   LEU  99           HA       LEU  99 -10.785  10.395 -10.851
  754   1HB   LEU  99          HB2       LEU  99 -10.632   8.509 -12.470
  755   2HB   LEU  99          HB3       LEU  99  -9.859   7.512 -11.241
  756    HG   LEU  99           HG       LEU  99 -11.919   7.641  -9.839
  757   1HD1  LEU  99          HD11      LEU  99 -12.906   9.745 -10.582
  758   2HD1  LEU  99          HD12      LEU  99 -13.044   9.141 -12.253
  759   3HD1  LEU  99          HD13      LEU  99 -14.022   8.437 -10.953
  760   1HD2  LEU  99          HD21      LEU  99 -13.275   6.141 -11.256
  761   2HD2  LEU  99          HD22      LEU  99 -12.351   6.641 -12.689
  762   3HD2  LEU  99          HD23      LEU  99 -11.555   5.751 -11.375
  763    H    VAL 100           H        VAL 100  -8.348   8.120  -9.479
  764    HA   VAL 100           HA       VAL 100  -9.512   7.877  -6.908
  765    HB   VAL 100           HB       VAL 100  -6.693   7.575  -7.995
  766   1HG1  VAL 100          HG11      VAL 100  -7.581   7.001  -5.142
  767   2HG1  VAL 100          HG12      VAL 100  -6.066   6.426  -5.895
  768   3HG1  VAL 100          HG13      VAL 100  -6.335   8.149  -5.657
  769   1HG2  VAL 100          HG21      VAL 100  -8.414   5.909  -8.691
  770   2HG2  VAL 100          HG22      VAL 100  -7.163   5.177  -7.685
  771   3HG2  VAL 100          HG23      VAL 100  -8.754   5.556  -6.990
  772    H    ASN 101           H        ASN 101  -7.055  10.178  -8.102
  773    HA   ASN 101           HA       ASN 101  -6.409  11.507  -5.720
  774   1HB   ASN 101          HB2       ASN 101  -5.033  11.708  -7.659
  775   2HB   ASN 101          HB3       ASN 101  -6.392  12.219  -8.648
  776   1HD2  ASN 101          HD22      ASN 101  -5.795  14.127  -9.426
  777   2HD2  ASN 101          HD21      ASN 101  -5.301  15.483  -8.432
  778    H    LYS 102           H        LYS 102  -8.866  12.357  -8.209
  779    HA   LYS 102           HA       LYS 102  -9.968  14.598  -6.851
  780   1HB   LYS 102          HB2       LYS 102 -11.164  12.600  -8.812
  781   2HB   LYS 102          HB3       LYS 102 -12.070  13.984  -8.194
  782   1HG   LYS 102          HG2       LYS 102 -10.452  15.560  -9.093
  783   2HG   LYS 102          HG3       LYS 102  -9.395  14.249  -9.639
  784   1HD   LYS 102          HD2       LYS 102 -11.134  13.447 -11.189
  785   2HD   LYS 102          HD3       LYS 102 -12.248  14.710 -10.615
  786   1HE   LYS 102          HE2       LYS 102 -10.650  16.456 -11.376
  787   2HE   LYS 102          HE3       LYS 102  -9.551  15.203 -11.959
  788   1HZ   LYS 102          HZ1       LYS 102 -11.285  14.521 -13.532
  789   2HZ   LYS 102          HZ2       LYS 102 -12.290  15.690 -12.987
  790   3HZ   LYS 102          HZ3       LYS 102 -10.909  16.092 -13.746
  791    H    HIS 103           H        HIS 103 -10.583  11.109  -6.300
  792    HA   HIS 103           HA       HIS 103 -12.858  11.692  -4.548
  793   1HB   HIS 103          HB2       HIS 103 -11.399   9.127  -5.260
  794   2HB   HIS 103          HB3       HIS 103 -12.664   9.194  -4.043
  795    HD1  HIS 103           HD1      HIS 103 -15.084  10.475  -5.125
  796    HD2  HIS 103           HD2      HIS 103 -12.341   8.432  -7.573
  797    HE1  HIS 103           HE1      HIS 103 -16.344   9.843  -7.247
  798    H    LEU 104           H        LEU 104  -9.401  11.522  -4.040
  799    HA   LEU 104           HA       LEU 104  -9.320  10.602  -1.376
  800   1HB   LEU 104          HB2       LEU 104  -7.604  12.783  -2.611
  801   2HB   LEU 104          HB3       LEU 104  -7.279  11.961  -1.094
  802    HG   LEU 104           HG       LEU 104  -7.262  10.703  -3.855
  803   1HD1  LEU 104          HD11      LEU 104  -5.022  11.228  -1.873
  804   2HD1  LEU 104          HD12      LEU 104  -4.864  10.442  -3.460
  805   3HD1  LEU 104          HD13      LEU 104  -5.336  12.145  -3.362
  806   1HD2  LEU 104          HD21      LEU 104  -8.038   8.990  -2.345
  807   2HD2  LEU 104          HD22      LEU 104  -6.354   8.667  -2.724
  808   3HD2  LEU 104          HD23      LEU 104  -6.777   9.388  -1.153
  Start of MODEL    7
    1   1H    MET   1          H1        MET   1   3.096  -0.591   0.514
    2   2H    MET   1          H2        MET   1   2.056   0.687   0.495
    3   3H    MET   1          H3        MET   1   1.488  -0.832   0.700
    4    HA   MET   1           HA       MET   1   1.050  -0.054  -1.535
    5   1HB   MET   1          HB2       MET   1   4.080   0.177  -1.667
    6   2HB   MET   1          HB3       MET   1   3.029   0.109  -3.085
    7   1HG   MET   1          HG2       MET   1   1.830   2.109  -2.356
    8   2HG   MET   1          HG3       MET   1   2.838   2.229  -0.913
    9   1HE   MET   1          HE1       MET   1   2.977   4.820  -1.826
   10   2HE   MET   1          HE2       MET   1   3.742   5.252  -3.371
   11   3HE   MET   1          HE3       MET   1   2.186   4.397  -3.363
   12    H    ALA   2           H        ALA   2   0.049  -2.031  -1.420
   13    HA   ALA   2           HA       ALA   2   1.173  -4.019  -3.080
   14   1HB   ALA   2          HB1       ALA   2   2.162  -4.924  -0.972
   15   2HB   ALA   2          HB2       ALA   2   0.566  -4.845  -0.185
   16   3HB   ALA   2          HB3       ALA   2   0.838  -5.954  -1.545
   17    H    ILE   3           H        ILE   3  -0.527  -5.126  -4.021
   18    HA   ILE   3           HA       ILE   3  -3.187  -4.005  -3.611
   19    HB   ILE   3           HB       ILE   3  -2.030  -6.101  -5.503
   20   1HG1  ILE   3          HG12      ILE   3  -2.828  -3.181  -5.929
   21   2HG1  ILE   3          HG13      ILE   3  -1.179  -3.758  -5.766
   22   1HG2  ILE   3          HG21      ILE   3  -4.823  -4.861  -5.514
   23   2HG2  ILE   3          HG22      ILE   3  -4.146  -5.861  -6.818
   24   3HG2  ILE   3          HG23      ILE   3  -4.425  -6.568  -5.242
   25   1HD1  ILE   3          HD11      ILE   3  -1.567  -3.400  -8.049
   26   2HD1  ILE   3          HD12      ILE   3  -1.464  -5.154  -7.786
   27   3HD1  ILE   3          HD13      ILE   3  -3.052  -4.360  -8.051
   28    H    VAL   4           H        VAL   4  -5.019  -5.224  -2.942
   29    HA   VAL   4           HA       VAL   4  -4.370  -7.483  -1.110
   30    HB   VAL   4           HB       VAL   4  -6.559  -5.382  -0.949
   31   1HG1  VAL   4          HG11      VAL   4  -5.673  -7.471   1.082
   32   2HG1  VAL   4          HG12      VAL   4  -6.763  -6.117   1.433
   33   3HG1  VAL   4          HG13      VAL   4  -7.269  -7.344   0.291
   34   1HG2  VAL   4          HG21      VAL   4  -4.422  -4.262  -0.576
   35   2HG2  VAL   4          HG22      VAL   4  -5.224  -4.456   0.976
   36   3HG2  VAL   4          HG23      VAL   4  -3.899  -5.549   0.533
   37    H    LYS   5           H        LYS   5  -6.398  -8.923  -0.804
   38    HA   LYS   5           HA       LYS   5  -7.953  -9.307  -3.302
   39   1HB   LYS   5          HB2       LYS   5  -6.213 -11.414  -1.905
   40   2HB   LYS   5          HB3       LYS   5  -7.536 -11.795  -2.989
   41   1HG   LYS   5          HG2       LYS   5  -6.136 -11.771  -4.681
   42   2HG   LYS   5          HG3       LYS   5  -6.017 -10.029  -4.526
   43   1HD   LYS   5          HD2       LYS   5  -4.157 -11.985  -3.103
   44   2HD   LYS   5          HD3       LYS   5  -3.840 -11.262  -4.688
   45   1HE   LYS   5          HE2       LYS   5  -4.093  -8.983  -3.650
   46   2HE   LYS   5          HE3       LYS   5  -4.190  -9.766  -2.062
   47   1HZ   LYS   5          HZ1       LYS   5  -1.866  -9.972  -3.888
   48   2HZ   LYS   5          HZ2       LYS   5  -1.977  -8.939  -2.629
   49   3HZ   LYS   5          HZ3       LYS   5  -1.947 -10.561  -2.363
   50    H    ALA   6           H        ALA   6 -10.071  -9.815  -2.748
   51    HA   ALA   6           HA       ALA   6 -10.612 -10.927  -0.073
   52   1HB   ALA   6          HB1       ALA   6 -12.200  -9.186   0.532
   53   2HB   ALA   6          HB2       ALA   6 -10.629  -8.434   0.223
   54   3HB   ALA   6          HB3       ALA   6 -11.915  -8.336  -1.003
   55    H    THR   7           H        THR   7 -13.076 -11.301   0.173
   56    HA   THR   7           HA       THR   7 -14.408 -11.943  -2.364
   57    HB   THR   7           HB       THR   7 -14.981 -14.196  -1.458
   58    HG1  THR   7           HG1      THR   7 -14.651 -14.488   0.524
   59   1HG2  THR   7          HG21      THR   7 -12.943 -13.906  -2.951
   60   2HG2  THR   7          HG22      THR   7 -11.951 -13.908  -1.479
   61   3HG2  THR   7          HG23      THR   7 -12.926 -15.332  -1.893
   62    H    ASP   8           H        ASP   8 -16.825 -12.640  -1.678
   63    HA   ASP   8           HA       ASP   8 -18.154 -10.543  -0.506
   64   1HB   ASP   8          HB2       ASP   8 -19.263 -12.455  -1.707
   65   2HB   ASP   8          HB3       ASP   8 -18.986 -13.459  -0.302
   66    H    GLN   9           H        GLN   9 -16.683 -13.238   1.200
   67    HA   GLN   9           HA       GLN   9 -17.890 -12.975   3.733
   68   1HB   GLN   9          HB2       GLN   9 -15.161 -14.054   2.886
   69   2HB   GLN   9          HB3       GLN   9 -15.840 -14.225   4.501
   70   1HG   GLN   9          HG2       GLN   9 -16.276 -16.281   3.407
   71   2HG   GLN   9          HG3       GLN   9 -17.813 -15.437   3.537
   72   1HE2  GLN   9          HE22      GLN   9 -18.746 -16.679   1.757
   73   2HE2  GLN   9          HE21      GLN   9 -18.242 -16.401   0.109
   74    H    SER  10           H        SER  10 -15.126 -11.202   2.335
   75    HA   SER  10           HA       SER  10 -14.945  -9.597   4.848
   76   1HB   SER  10          HB2       SER  10 -12.541 -10.833   3.439
   77   2HB   SER  10          HB3       SER  10 -12.542  -9.931   4.962
   78    HG   SER  10           HG       SER  10 -12.435 -12.196   5.285
   79    H    PHE  11           H        PHE  11 -15.199  -9.400   1.512
   80    HA   PHE  11           HA       PHE  11 -13.548  -7.257   0.791
   81   1HB   PHE  11          HB2       PHE  11 -14.996  -8.553  -0.723
   82   2HB   PHE  11          HB3       PHE  11 -16.435  -7.896   0.041
   83    HD1  PHE  11           HD1      PHE  11 -13.517  -7.127  -2.135
   84    HD2  PHE  11           HD2      PHE  11 -17.299  -5.719  -0.600
   85    HE1  PHE  11           HE1      PHE  11 -13.564  -5.367  -3.867
   86    HE2  PHE  11           HE2      PHE  11 -17.332  -3.950  -2.340
   87    HZ   PHE  11           HZ       PHE  11 -15.499  -3.786  -3.987
   88    H    SER  12           H        SER  12 -16.662  -7.214   2.592
   89    HA   SER  12           HA       SER  12 -16.956  -4.410   2.637
   90   1HB   SER  12          HB2       SER  12 -17.946  -6.381   4.728
   91   2HB   SER  12          HB3       SER  12 -18.679  -4.836   4.258
   92    HG   SER  12           HG       SER  12 -19.732  -6.639   3.301
   93    H    ALA  13           H        ALA  13 -14.910  -6.511   4.600
   94    HA   ALA  13           HA       ALA  13 -14.513  -4.566   6.722
   95   1HB   ALA  13          HB1       ALA  13 -12.987  -7.118   6.057
   96   2HB   ALA  13          HB2       ALA  13 -12.880  -6.185   7.558
   97   3HB   ALA  13          HB3       ALA  13 -14.393  -7.018   7.150
   98    H    GLU  14           H        GLU  14 -13.046  -5.459   3.620
   99    HA   GLU  14           HA       GLU  14 -10.597  -4.013   4.146
  100   1HB   GLU  14          HB2       GLU  14 -11.741  -5.311   1.640
  101   2HB   GLU  14          HB3       GLU  14 -10.194  -4.469   1.663
  102   1HG   GLU  14          HG2       GLU  14 -10.935  -6.832   3.419
  103   2HG   GLU  14          HG3       GLU  14  -9.971  -6.923   1.939
  104    H    THR  15           H        THR  15 -13.626  -3.390   2.277
  105    HA   THR  15           HA       THR  15 -12.608  -0.998   1.128
  106    HB   THR  15           HB       THR  15 -14.996  -0.723   0.405
  107    HG1  THR  15           HG1      THR  15 -16.390  -2.422   0.875
  108   1HG2  THR  15          HG21      THR  15 -13.353  -1.931  -0.974
  109   2HG2  THR  15          HG22      THR  15 -13.647  -3.434  -0.089
  110   3HG2  THR  15          HG23      THR  15 -14.930  -2.717  -1.077
  111    H    SER  16           H        SER  16 -13.391  -1.487   4.323
  112    HA   SER  16           HA       SER  16 -14.701   1.127   4.686
  113   1HB   SER  16          HB2       SER  16 -15.463   0.055   6.852
  114   2HB   SER  16          HB3       SER  16 -16.067  -0.659   5.350
  115    HG   SER  16           HG       SER  16 -15.190  -2.430   5.799
  116    H    GLU  17           H        GLU  17 -11.827   0.880   4.326
  117    HA   GLU  17           HA       GLU  17 -10.970   2.099   6.923
  118   1HB   GLU  17          HB2       GLU  17  -9.351   0.247   5.131
  119   2HB   GLU  17          HB3       GLU  17  -8.783   1.013   6.620
  120   1HG   GLU  17          HG2       GLU  17 -10.607  -0.207   7.869
  121   2HG   GLU  17          HG3       GLU  17 -10.931  -1.120   6.386
  122    H    GLY  18           H        GLY  18 -11.488   2.932   3.719
  123   1HA   GLY  18          HA2       GLY  18 -10.141   5.358   3.723
  124   2HA   GLY  18          HA3       GLY  18  -8.972   4.153   3.101
  125    H    VAL  19           H        VAL  19  -9.179   5.573   1.118
  126    HA   VAL  19           HA       VAL  19 -11.542   5.066  -0.567
  127    HB   VAL  19           HB       VAL  19  -8.760   6.143  -1.241
  128   1HG1  VAL  19          HG11      VAL  19 -11.301   6.044  -2.944
  129   2HG1  VAL  19          HG12      VAL  19  -9.787   6.863  -3.389
  130   3HG1  VAL  19          HG13      VAL  19  -9.823   5.107  -3.237
  131   1HG2  VAL  19          HG21      VAL  19 -10.048   7.707   0.177
  132   2HG2  VAL  19          HG22      VAL  19  -9.912   8.312  -1.477
  133   3HG2  VAL  19          HG23      VAL  19 -11.427   7.578  -0.950
  134    H    VAL  20           H        VAL  20 -11.730   3.204  -1.796
  135    HA   VAL  20           HA       VAL  20  -9.392   1.395  -1.948
  136    HB   VAL  20           HB       VAL  20 -12.165   0.529  -1.043
  137   1HG1  VAL  20          HG11      VAL  20 -11.013  -1.205  -2.322
  138   2HG1  VAL  20          HG12      VAL  20  -9.529  -0.955  -1.383
  139   3HG1  VAL  20          HG13      VAL  20 -10.978  -1.630  -0.608
  140   1HG2  VAL  20          HG21      VAL  20 -11.325   1.567   0.873
  141   2HG2  VAL  20          HG22      VAL  20 -10.733  -0.078   1.099
  142   3HG2  VAL  20          HG23      VAL  20  -9.639   1.162   0.517
  143    H    LEU  21           H        LEU  21  -9.044   0.932  -3.985
  144    HA   LEU  21           HA       LEU  21 -11.171   1.226  -6.030
  145   1HB   LEU  21          HB2       LEU  21  -8.990   2.262  -6.481
  146   2HB   LEU  21          HB3       LEU  21  -8.168   0.723  -6.173
  147    HG   LEU  21           HG       LEU  21  -9.348  -0.253  -8.176
  148   1HD1  LEU  21          HD11      LEU  21 -11.325   1.176  -8.328
  149   2HD1  LEU  21          HD12      LEU  21 -10.310   2.626  -8.532
  150   3HD1  LEU  21          HD13      LEU  21 -10.357   1.382  -9.791
  151   1HD2  LEU  21          HD21      LEU  21  -7.734   2.282  -8.696
  152   2HD2  LEU  21          HD22      LEU  21  -7.068   0.676  -8.325
  153   3HD2  LEU  21          HD23      LEU  21  -7.977   0.922  -9.821
  154    H    ALA  22           H        ALA  22 -12.452  -0.583  -5.852
  155    HA   ALA  22           HA       ALA  22 -11.245  -3.266  -5.530
  156   1HB   ALA  22          HB1       ALA  22 -13.408  -2.865  -4.479
  157   2HB   ALA  22          HB2       ALA  22 -14.101  -2.336  -6.033
  158   3HB   ALA  22          HB3       ALA  22 -13.593  -4.025  -5.819
  159    H    ASP  23           H        ASP  23 -11.172  -4.740  -7.207
  160    HA   ASP  23           HA       ASP  23 -11.898  -3.857  -9.961
  161   1HB   ASP  23          HB2       ASP  23  -9.516  -3.541  -9.832
  162   2HB   ASP  23          HB3       ASP  23  -9.298  -5.110  -9.059
  163    H    PHE  24           H        PHE  24 -13.633  -5.035 -10.160
  164    HA   PHE  24           HA       PHE  24 -13.890  -7.820  -9.304
  165   1HB   PHE  24          HB2       PHE  24 -15.669  -5.928 -10.892
  166   2HB   PHE  24          HB3       PHE  24 -16.069  -7.599 -10.557
  167    HD1  PHE  24           HD1      PHE  24 -16.929  -8.287  -8.406
  168    HD2  PHE  24           HD2      PHE  24 -15.427  -4.279  -8.942
  169    HE1  PHE  24           HE1      PHE  24 -17.774  -7.669  -6.166
  170    HE2  PHE  24           HE2      PHE  24 -16.248  -3.686  -6.679
  171    HZ   PHE  24           HZ       PHE  24 -17.403  -5.371  -5.284
  172    H    TRP  25           H        TRP  25 -12.886  -9.351 -10.502
  173    HA   TRP  25           HA       TRP  25 -12.385  -8.848 -13.395
  174   1HB   TRP  25          HB2       TRP  25 -10.104  -9.252 -13.202
  175   2HB   TRP  25          HB3       TRP  25 -10.460  -8.092 -11.944
  176    HD1  TRP  25           HD1      TRP  25 -10.827  -9.352  -9.426
  177    HE1  TRP  25           HE1      TRP  25  -9.473 -11.238  -8.341
  178    HE3  TRP  25           HE3      TRP  25  -8.482 -11.151 -13.604
  179    HZ2  TRP  25           HZ2      TRP  25  -7.521 -13.205  -9.170
  180    HZ3  TRP  25           HZ3      TRP  25  -6.828 -12.984 -13.412
  181    HH2  TRP  25           HH2      TRP  25  -6.361 -14.038 -11.215
  182    H    ALA  26           H        ALA  26 -11.281 -10.931 -14.357
  183    HA   ALA  26           HA       ALA  26 -11.804 -13.402 -12.957
  184   1HB   ALA  26          HB1       ALA  26 -14.001 -13.015 -14.119
  185   2HB   ALA  26          HB2       ALA  26 -13.132 -12.936 -15.672
  186   3HB   ALA  26          HB3       ALA  26 -13.139 -14.436 -14.718
  187    HA   PRO  27           HA       PRO  27  -8.010 -13.918 -15.052
  188   1HB   PRO  27          HB2       PRO  27  -7.549 -16.621 -14.985
  189   2HB   PRO  27          HB3       PRO  27  -7.608 -15.604 -13.514
  190   1HG   PRO  27          HG2       PRO  27  -9.831 -17.299 -14.693
  191   2HG   PRO  27          HG3       PRO  27  -9.272 -17.232 -12.990
  192   1HD   PRO  27          HD2       PRO  27 -11.431 -15.805 -13.881
  193   2HD   PRO  27          HD3       PRO  27 -10.323 -15.153 -12.630
  194    H    TRP  28           H        TRP  28 -10.778 -15.519 -16.563
  195    HA   TRP  28           HA       TRP  28  -9.279 -16.200 -18.980
  196   1HB   TRP  28          HB2       TRP  28 -11.629 -16.802 -19.774
  197   2HB   TRP  28          HB3       TRP  28 -10.919 -17.725 -18.470
  198    HD1  TRP  28           HD1      TRP  28 -12.922 -14.418 -18.093
  199    HE1  TRP  28           HE1      TRP  28 -14.963 -14.848 -16.633
  200    HE3  TRP  28           HE3      TRP  28 -12.330 -19.453 -17.358
  201    HZ2  TRP  28           HZ2      TRP  28 -16.157 -17.085 -15.223
  202    HZ3  TRP  28           HZ3      TRP  28 -13.928 -20.703 -15.933
  203    HH2  TRP  28           HH2      TRP  28 -15.842 -19.532 -14.863
  204    H    CYS  29           H        CYS  29 -10.424 -13.254 -17.755
  205    HA   CYS  29           HA       CYS  29 -11.344 -12.224 -20.373
  206   1HB   CYS  29          HB2       CYS  29 -12.647 -11.682 -18.349
  207   2HB   CYS  29          HB3       CYS  29 -11.211 -10.943 -17.616
  208    HG   CYS  29           HG       CYS  29 -13.130  -9.221 -18.627
  209    H    GLY  30           H        GLY  30  -9.817 -11.382 -21.718
  210   1HA   GLY  30          HA2       GLY  30  -7.070 -11.130 -21.161
  211   2HA   GLY  30          HA3       GLY  30  -7.926 -10.369 -22.507
  212    HA   PRO  31           HA       PRO  31  -7.757  -6.300 -20.801
  213   1HB   PRO  31          HB2       PRO  31 -10.660  -6.429 -19.975
  214   2HB   PRO  31          HB3       PRO  31  -9.771  -5.060 -20.715
  215   1HG   PRO  31          HG2       PRO  31 -11.277  -6.683 -22.264
  216   2HG   PRO  31          HG3       PRO  31  -9.634  -6.221 -22.816
  217   1HD   PRO  31          HD2       PRO  31 -10.540  -8.806 -21.561
  218   2HD   PRO  31          HD3       PRO  31  -9.379  -8.539 -22.889
  219    H    CYS  32           H        CYS  32  -9.411  -8.525 -18.484
  220    HA   CYS  32           HA       CYS  32  -8.834  -7.031 -16.108
  221   1HB   CYS  32          HB2       CYS  32  -9.116 -10.048 -16.555
  222   2HB   CYS  32          HB3       CYS  32  -8.935  -9.279 -14.986
  223    HG   CYS  32           HG       CYS  32 -11.267  -8.631 -17.248
  224    H    LYS  33           H        LYS  33  -6.807  -9.197 -18.081
  225    HA   LYS  33           HA       LYS  33  -4.631  -9.145 -16.076
  226   1HB   LYS  33          HB2       LYS  33  -4.889 -10.405 -18.837
  227   2HB   LYS  33          HB3       LYS  33  -3.438 -10.502 -17.827
  228   1HG   LYS  33          HG2       LYS  33  -4.639 -11.627 -16.042
  229   2HG   LYS  33          HG3       LYS  33  -6.188 -11.437 -16.861
  230   1HD   LYS  33          HD2       LYS  33  -3.880 -13.121 -17.910
  231   2HD   LYS  33          HD3       LYS  33  -5.287 -13.714 -17.009
  232   1HE   LYS  33          HE2       LYS  33  -6.736 -12.590 -18.829
  233   2HE   LYS  33          HE3       LYS  33  -5.245 -12.453 -19.781
  234   1HZ   LYS  33          HZ1       LYS  33  -6.490 -14.938 -18.765
  235   2HZ   LYS  33          HZ2       LYS  33  -6.407 -14.479 -20.337
  236   3HZ   LYS  33          HZ3       LYS  33  -5.041 -14.908 -19.553
  237    H    MET  34           H        MET  34  -5.490  -7.629 -19.225
  238    HA   MET  34           HA       MET  34  -3.006  -6.302 -19.593
  239   1HB   MET  34          HB2       MET  34  -5.791  -5.393 -20.424
  240   2HB   MET  34          HB3       MET  34  -4.281  -4.707 -21.016
  241   1HG   MET  34          HG2       MET  34  -5.108  -7.608 -21.367
  242   2HG   MET  34          HG3       MET  34  -5.294  -6.346 -22.581
  243   1HE   MET  34          HE1       MET  34  -2.500  -8.691 -24.043
  244   2HE   MET  34          HE2       MET  34  -3.881  -9.183 -23.040
  245   3HE   MET  34          HE3       MET  34  -4.097  -7.961 -24.313
  246    H    ILE  35           H        ILE  35  -5.865  -5.362 -17.611
  247    HA   ILE  35           HA       ILE  35  -4.617  -2.828 -16.937
  248    HB   ILE  35           HB       ILE  35  -7.094  -3.299 -17.176
  249   1HG1  ILE  35          HG12      ILE  35  -6.167  -1.797 -14.703
  250   2HG1  ILE  35          HG13      ILE  35  -6.138  -1.197 -16.363
  251   1HG2  ILE  35          HG21      ILE  35  -7.172  -5.317 -15.720
  252   2HG2  ILE  35          HG22      ILE  35  -6.915  -4.278 -14.305
  253   3HG2  ILE  35          HG23      ILE  35  -8.373  -4.102 -15.303
  254   1HD1  ILE  35          HD11      ILE  35  -8.597  -1.862 -14.705
  255   2HD1  ILE  35          HD12      ILE  35  -8.061  -0.276 -15.289
  256   3HD1  ILE  35          HD13      ILE  35  -8.648  -1.490 -16.442
  257    H    ALA  36           H        ALA  36  -3.883  -5.977 -15.879
  258    HA   ALA  36           HA       ALA  36  -3.568  -5.529 -13.089
  259   1HB   ALA  36          HB1       ALA  36  -2.107  -7.465 -13.081
  260   2HB   ALA  36          HB2       ALA  36  -3.532  -7.779 -14.091
  261   3HB   ALA  36          HB3       ALA  36  -1.961  -7.425 -14.844
  262    HA   PRO  37           HA       PRO  37   0.893  -4.010 -13.856
  263   1HB   PRO  37          HB2       PRO  37   1.527  -2.860 -16.308
  264   2HB   PRO  37          HB3       PRO  37   1.911  -4.537 -15.819
  265   1HG   PRO  37          HG2       PRO  37  -0.454  -3.559 -17.440
  266   2HG   PRO  37          HG3       PRO  37   0.619  -4.958 -17.773
  267   1HD   PRO  37          HD2       PRO  37  -1.766  -5.333 -16.607
  268   2HD   PRO  37          HD3       PRO  37  -0.347  -6.230 -16.017
  269    H    VAL  38           H        VAL  38  -1.825  -2.388 -15.581
  270    HA   VAL  38           HA       VAL  38  -1.083   0.278 -14.916
  271    HB   VAL  38           HB       VAL  38  -3.709  -1.090 -15.571
  272   1HG1  VAL  38          HG11      VAL  38  -3.339   1.801 -14.776
  273   2HG1  VAL  38          HG12      VAL  38  -4.722   1.217 -15.727
  274   3HG1  VAL  38          HG13      VAL  38  -4.465   0.616 -14.093
  275   1HG2  VAL  38          HG21      VAL  38  -2.121  -0.738 -17.413
  276   2HG2  VAL  38          HG22      VAL  38  -3.561   0.271 -17.603
  277   3HG2  VAL  38          HG23      VAL  38  -2.044   0.995 -17.027
  278    H    LEU  39           H        LEU  39  -3.092  -2.152 -13.138
  279    HA   LEU  39           HA       LEU  39  -3.582  -0.436 -10.919
  280   1HB   LEU  39          HB2       LEU  39  -3.599  -3.463 -11.211
  281   2HB   LEU  39          HB3       LEU  39  -4.086  -2.646  -9.731
  282    HG   LEU  39           HG       LEU  39  -5.403  -2.021 -12.407
  283   1HD1  LEU  39          HD11      LEU  39  -7.215  -3.545 -11.746
  284   2HD1  LEU  39          HD12      LEU  39  -5.685  -4.402 -11.973
  285   3HD1  LEU  39          HD13      LEU  39  -6.279  -4.060 -10.324
  286   1HD2  LEU  39          HD21      LEU  39  -6.389  -1.649  -9.549
  287   2HD2  LEU  39          HD22      LEU  39  -5.739  -0.361 -10.580
  288   3HD2  LEU  39          HD23      LEU  39  -7.235  -1.181 -11.038
  289    H    GLU  40           H        GLU  40  -0.911  -2.757 -11.593
  290    HA   GLU  40           HA       GLU  40   0.287  -2.463  -9.009
  291   1HB   GLU  40          HB2       GLU  40   1.408  -3.311 -11.703
  292   2HB   GLU  40          HB3       GLU  40   2.381  -3.252 -10.230
  293   1HG   GLU  40          HG2       GLU  40   0.829  -4.808  -9.104
  294   2HG   GLU  40          HG3       GLU  40  -0.150  -4.918 -10.562
  295    H    GLU  41           H        GLU  41   0.676  -0.549 -12.031
  296    HA   GLU  41           HA       GLU  41   2.740   1.130 -10.928
  297   1HB   GLU  41          HB2       GLU  41   0.807   1.430 -13.253
  298   2HB   GLU  41          HB3       GLU  41   1.912   2.725 -12.772
  299   1HG   GLU  41          HG2       GLU  41   3.844   1.196 -13.040
  300   2HG   GLU  41          HG3       GLU  41   2.768  -0.088 -13.579
  301    H    LEU  42           H        LEU  42  -0.843   1.324 -10.967
  302    HA   LEU  42           HA       LEU  42  -0.984   3.873  -9.741
  303   1HB   LEU  42          HB2       LEU  42  -2.814   2.301 -10.866
  304   2HB   LEU  42          HB3       LEU  42  -3.016   1.678  -9.241
  305    HG   LEU  42           HG       LEU  42  -4.693   3.289  -9.644
  306   1HD1  LEU  42          HD11      LEU  42  -2.703   4.855  -8.003
  307   2HD1  LEU  42          HD12      LEU  42  -4.470   4.896  -7.910
  308   3HD1  LEU  42          HD13      LEU  42  -3.595   3.442  -7.390
  309   1HD2  LEU  42          HD21      LEU  42  -2.556   5.310 -10.432
  310   2HD2  LEU  42          HD22      LEU  42  -3.653   4.469 -11.545
  311   3HD2  LEU  42          HD23      LEU  42  -4.306   5.589 -10.341
  312    H    ASP  43           H        ASP  43  -0.830   0.544  -8.366
  313    HA   ASP  43           HA       ASP  43  -1.050   1.236  -5.630
  314   1HB   ASP  43          HB2       ASP  43  -1.266  -1.054  -6.340
  315   2HB   ASP  43          HB3       ASP  43   0.359  -1.064  -7.020
  316    H    GLN  44           H        GLN  44   1.821   0.995  -7.794
  317    HA   GLN  44           HA       GLN  44   3.745   1.600  -5.775
  318   1HB   GLN  44          HB2       GLN  44   3.704   1.611  -8.799
  319   2HB   GLN  44          HB3       GLN  44   5.138   2.165  -7.923
  320   1HG   GLN  44          HG2       GLN  44   5.427   0.045  -6.822
  321   2HG   GLN  44          HG3       GLN  44   3.874  -0.555  -7.401
  322   1HE2  GLN  44          HE22      GLN  44   3.592  -0.879  -9.720
  323   2HE2  GLN  44          HE21      GLN  44   4.979  -1.295 -10.727
  324    H    GLU  45           H        GLU  45   1.476   3.672  -7.365
  325    HA   GLU  45           HA       GLU  45   3.093   6.089  -6.770
  326   1HB   GLU  45          HB2       GLU  45   0.759   5.465  -8.592
  327   2HB   GLU  45          HB3       GLU  45   1.179   7.134  -8.159
  328   1HG   GLU  45          HG2       GLU  45   3.483   6.804  -8.987
  329   2HG   GLU  45          HG3       GLU  45   3.095   5.147  -9.448
  330    H    MET  46           H        MET  46   0.014   4.505  -5.939
  331    HA   MET  46           HA       MET  46  -0.531   6.654  -3.932
  332   1HB   MET  46          HB2       MET  46  -2.578   5.369  -5.772
  333   2HB   MET  46          HB3       MET  46  -2.848   6.673  -4.618
  334   1HG   MET  46          HG2       MET  46  -1.208   8.054  -5.985
  335   2HG   MET  46          HG3       MET  46  -1.344   6.792  -7.234
  336   1HE   MET  46          HE1       MET  46  -2.210  10.193  -6.836
  337   2HE   MET  46          HE2       MET  46  -1.832   9.402  -8.382
  338   3HE   MET  46          HE3       MET  46  -3.397  10.220  -8.157
  339    H    GLY  47           H        GLY  47   0.075   3.395  -4.161
  340   1HA   GLY  47          HA2       GLY  47  -2.117   2.165  -2.837
  341   2HA   GLY  47          HA3       GLY  47  -0.512   1.495  -3.077
  342    H    ASP  48           H        ASP  48  -1.638   4.271  -1.242
  343    HA   ASP  48           HA       ASP  48  -1.382   3.139   1.368
  344   1HB   ASP  48          HB2       ASP  48   0.979   3.784   1.099
  345   2HB   ASP  48          HB3       ASP  48   0.498   5.378   0.504
  346    H    LYS  49           H        LYS  49  -1.617   6.021  -0.746
  347    HA   LYS  49           HA       LYS  49  -3.457   7.537   0.824
  348   1HB   LYS  49          HB2       LYS  49  -3.049   7.468  -2.200
  349   2HB   LYS  49          HB3       LYS  49  -3.901   8.721  -1.294
  350   1HG   LYS  49          HG2       LYS  49  -1.798   9.309  -0.112
  351   2HG   LYS  49          HG3       LYS  49  -0.928   8.070  -1.039
  352   1HD   LYS  49          HD2       LYS  49  -1.581   9.224  -3.157
  353   2HD   LYS  49          HD3       LYS  49  -2.324  10.518  -2.212
  354   1HE   LYS  49          HE2       LYS  49   0.617   9.699  -2.083
  355   2HE   LYS  49          HE3       LYS  49  -0.015  11.033  -3.049
  356   1HZ   LYS  49          HZ1       LYS  49  -0.741  12.105  -0.995
  357   2HZ   LYS  49          HZ2       LYS  49  -0.127  10.884  -0.091
  358   3HZ   LYS  49          HZ3       LYS  49   0.862  11.831  -0.970
  359    H    LEU  50           H        LEU  50  -3.801   4.930  -1.568
  360    HA   LEU  50           HA       LEU  50  -6.507   4.469  -0.597
  361   1HB   LEU  50          HB2       LEU  50  -7.542   4.539  -2.559
  362   2HB   LEU  50          HB3       LEU  50  -6.246   5.618  -3.034
  363    HG   LEU  50           HG       LEU  50  -6.250   2.620  -3.644
  364   1HD1  LEU  50          HD11      LEU  50  -8.196   3.568  -4.666
  365   2HD1  LEU  50          HD12      LEU  50  -7.260   4.922  -5.310
  366   3HD1  LEU  50          HD13      LEU  50  -6.964   3.278  -5.910
  367   1HD2  LEU  50          HD21      LEU  50  -4.035   3.624  -3.760
  368   2HD2  LEU  50          HD22      LEU  50  -4.627   3.208  -5.363
  369   3HD2  LEU  50          HD23      LEU  50  -4.660   4.907  -4.826
  370    H    LYS  51           H        LYS  51  -7.216   2.229  -1.128
  371    HA   LYS  51           HA       LYS  51  -4.954   0.255  -1.100
  372   1HB   LYS  51          HB2       LYS  51  -6.464   0.392   0.908
  373   2HB   LYS  51          HB3       LYS  51  -7.839   0.054  -0.141
  374   1HG   LYS  51          HG2       LYS  51  -6.757  -2.178  -0.702
  375   2HG   LYS  51          HG3       LYS  51  -5.545  -1.823   0.538
  376   1HD   LYS  51          HD2       LYS  51  -8.569  -2.040   0.940
  377   2HD   LYS  51          HD3       LYS  51  -7.373  -3.263   1.370
  378   1HE   LYS  51          HE2       LYS  51  -6.337  -1.657   2.991
  379   2HE   LYS  51          HE3       LYS  51  -7.607  -0.471   2.620
  380   1HZ   LYS  51          HZ1       LYS  51  -8.161  -3.209   3.621
  381   2HZ   LYS  51          HZ2       LYS  51  -8.058  -1.914   4.617
  382   3HZ   LYS  51          HZ3       LYS  51  -9.234  -1.968   3.468
  383    H    ILE  52           H        ILE  52  -5.283  -1.628  -2.581
  384    HA   ILE  52           HA       ILE  52  -7.444  -1.252  -4.598
  385    HB   ILE  52           HB       ILE  52  -4.688  -2.415  -5.127
  386   1HG1  ILE  52          HG12      ILE  52  -5.862   0.308  -5.814
  387   2HG1  ILE  52          HG13      ILE  52  -4.383  -0.051  -4.919
  388   1HG2  ILE  52          HG21      ILE  52  -5.396  -2.616  -7.455
  389   2HG2  ILE  52          HG22      ILE  52  -6.527  -3.478  -6.445
  390   3HG2  ILE  52          HG23      ILE  52  -6.973  -1.877  -7.072
  391   1HD1  ILE  52          HD11      ILE  52  -4.825  -0.344  -7.903
  392   2HD1  ILE  52          HD12      ILE  52  -3.710   0.729  -7.045
  393   3HD1  ILE  52          HD13      ILE  52  -3.422  -1.023  -7.050
  394    H    VAL  53           H        VAL  53  -8.739  -3.113  -4.816
  395    HA   VAL  53           HA       VAL  53  -7.854  -5.545  -3.321
  396    HB   VAL  53           HB       VAL  53 -10.631  -4.296  -3.207
  397   1HG1  VAL  53          HG11      VAL  53  -9.552  -6.796  -1.840
  398   2HG1  VAL  53          HG12      VAL  53 -11.133  -6.038  -1.532
  399   3HG1  VAL  53          HG13      VAL  53 -10.791  -6.735  -3.116
  400   1HG2  VAL  53          HG21      VAL  53  -8.940  -3.116  -1.746
  401   2HG2  VAL  53          HG22      VAL  53 -10.264  -3.887  -0.861
  402   3HG2  VAL  53          HG23      VAL  53  -8.663  -4.649  -0.907
  403    H    LYS  54           H        LYS  54  -7.704  -7.139  -4.795
  404    HA   LYS  54           HA       LYS  54  -9.321  -7.204  -7.256
  405   1HB   LYS  54          HB2       LYS  54  -7.491  -9.218  -5.862
  406   2HB   LYS  54          HB3       LYS  54  -8.263  -9.522  -7.404
  407   1HG   LYS  54          HG2       LYS  54  -6.231  -7.316  -6.896
  408   2HG   LYS  54          HG3       LYS  54  -5.937  -8.870  -7.696
  409   1HD   LYS  54          HD2       LYS  54  -7.819  -8.220  -9.329
  410   2HD   LYS  54          HD3       LYS  54  -7.702  -6.580  -8.651
  411   1HE   LYS  54          HE2       LYS  54  -5.532  -6.251  -9.445
  412   2HE   LYS  54          HE3       LYS  54  -5.215  -7.997  -9.590
  413   1HZ   LYS  54          HZ1       LYS  54  -5.612  -6.875 -11.767
  414   2HZ   LYS  54          HZ2       LYS  54  -6.633  -8.116 -11.483
  415   3HZ   LYS  54          HZ3       LYS  54  -7.178  -6.590 -11.308
  416    H    ILE  55           H        ILE  55 -11.186  -8.407  -7.572
  417    HA   ILE  55           HA       ILE  55 -11.803 -10.529  -5.630
  418    HB   ILE  55           HB       ILE  55 -12.834  -8.676  -4.608
  419   1HG1  ILE  55          HG12      ILE  55 -15.081 -10.159  -6.001
  420   2HG1  ILE  55          HG13      ILE  55 -14.015 -10.908  -4.804
  421   1HG2  ILE  55          HG21      ILE  55 -14.523  -7.217  -5.601
  422   2HG2  ILE  55          HG22      ILE  55 -13.009  -7.070  -6.483
  423   3HG2  ILE  55          HG23      ILE  55 -14.338  -8.032  -7.159
  424   1HD1  ILE  55          HD11      ILE  55 -14.668  -9.177  -3.135
  425   2HD1  ILE  55          HD12      ILE  55 -15.855  -8.536  -4.300
  426   3HD1  ILE  55          HD13      ILE  55 -16.011 -10.186  -3.676
  427    H    ASP  56           H        ASP  56 -12.120 -12.312  -6.778
  428    HA   ASP  56           HA       ASP  56 -12.453 -12.190  -9.682
  429   1HB   ASP  56          HB2       ASP  56 -10.869 -13.747  -8.745
  430   2HB   ASP  56          HB3       ASP  56 -12.107 -14.472  -7.716
  431    H    VAL  57           H        VAL  57 -14.481 -12.028 -10.562
  432    HA   VAL  57           HA       VAL  57 -16.813 -12.263  -8.956
  433    HB   VAL  57           HB       VAL  57 -18.094 -11.891 -10.970
  434   1HG1  VAL  57          HG11      VAL  57 -15.601 -10.148 -10.960
  435   2HG1  VAL  57          HG12      VAL  57 -17.218  -9.718 -11.561
  436   3HG1  VAL  57          HG13      VAL  57 -16.969 -10.011  -9.837
  437   1HG2  VAL  57          HG21      VAL  57 -16.881 -13.299 -12.598
  438   2HG2  VAL  57          HG22      VAL  57 -17.080 -11.649 -13.185
  439   3HG2  VAL  57          HG23      VAL  57 -15.509 -12.178 -12.551
  440    H    ASP  58           H        ASP  58 -15.074 -14.809 -10.643
  441    HA   ASP  58           HA       ASP  58 -17.421 -16.491 -11.021
  442   1HB   ASP  58          HB2       ASP  58 -15.337 -16.667 -12.395
  443   2HB   ASP  58          HB3       ASP  58 -14.467 -17.229 -10.963
  444    H    GLU  59           H        GLU  59 -15.793 -15.567  -8.237
  445    HA   GLU  59           HA       GLU  59 -17.162 -17.765  -6.750
  446   1HB   GLU  59          HB2       GLU  59 -14.477 -16.487  -6.066
  447   2HB   GLU  59          HB3       GLU  59 -15.392 -17.564  -5.006
  448   1HG   GLU  59          HG2       GLU  59 -15.269 -19.348  -6.773
  449   2HG   GLU  59          HG3       GLU  59 -14.193 -18.301  -7.703
  450    H    ASN  60           H        ASN  60 -17.453 -14.660  -7.626
  451    HA   ASN  60           HA       ASN  60 -18.479 -13.708  -5.018
  452   1HB   ASN  60          HB2       ASN  60 -16.336 -12.257  -6.633
  453   2HB   ASN  60          HB3       ASN  60 -17.237 -11.549  -5.312
  454   1HD2  ASN  60          HD22      ASN  60 -14.605 -13.658  -6.106
  455   2HD2  ASN  60          HD21      ASN  60 -14.155 -14.062  -4.456
  456    H    GLN  61           H        GLN  61 -19.655 -14.563  -7.508
  457    HA   GLN  61           HA       GLN  61 -20.868 -12.430  -8.908
  458   1HB   GLN  61          HB2       GLN  61 -22.673 -14.012  -9.392
  459   2HB   GLN  61          HB3       GLN  61 -21.083 -14.680  -9.707
  460   1HG   GLN  61          HG2       GLN  61 -22.788 -15.280  -7.255
  461   2HG   GLN  61          HG3       GLN  61 -22.692 -16.293  -8.687
  462   1HE2  GLN  61          HE22      GLN  61 -21.768 -16.602  -5.655
  463   2HE2  GLN  61          HE21      GLN  61 -20.138 -17.203  -5.838
  464    H    GLU  62           H        GLU  62 -21.429 -13.711  -5.661
  465    HA   GLU  62           HA       GLU  62 -23.888 -12.388  -5.113
  466   1HB   GLU  62          HB2       GLU  62 -21.587 -13.406  -3.392
  467   2HB   GLU  62          HB3       GLU  62 -23.077 -12.745  -2.700
  468   1HG   GLU  62          HG2       GLU  62 -22.887 -15.188  -4.521
  469   2HG   GLU  62          HG3       GLU  62 -23.060 -15.221  -2.773
  470    H    THR  63           H        THR  63 -20.430 -11.452  -4.327
  471    HA   THR  63           HA       THR  63 -21.184  -8.966  -3.247
  472    HB   THR  63           HB       THR  63 -18.529  -9.050  -4.513
  473    HG1  THR  63           HG1      THR  63 -17.776 -10.707  -3.082
  474   1HG2  THR  63          HG21      THR  63 -17.772  -8.463  -2.269
  475   2HG2  THR  63          HG22      THR  63 -19.158  -7.463  -2.737
  476   3HG2  THR  63          HG23      THR  63 -19.386  -8.819  -1.608
  477    H    ALA  64           H        ALA  64 -20.113  -9.903  -6.568
  478    HA   ALA  64           HA       ALA  64 -20.035  -7.254  -7.560
  479   1HB   ALA  64          HB1       ALA  64 -20.027  -8.353  -9.765
  480   2HB   ALA  64          HB2       ALA  64 -19.077  -9.341  -8.649
  481   3HB   ALA  64          HB3       ALA  64 -20.728  -9.832  -9.077
  482    H    GLY  65           H        GLY  65 -22.709  -9.674  -7.527
  483   1HA   GLY  65          HA2       GLY  65 -24.730  -8.144  -8.726
  484   2HA   GLY  65          HA3       GLY  65 -24.954  -9.452  -7.551
  485    H    LYS  66           H        LYS  66 -23.362  -7.891  -5.464
  486    HA   LYS  66           HA       LYS  66 -25.474  -6.531  -4.151
  487   1HB   LYS  66          HB2       LYS  66 -23.051  -7.473  -3.391
  488   2HB   LYS  66          HB3       LYS  66 -22.619  -5.770  -3.583
  489   1HG   LYS  66          HG2       LYS  66 -24.548  -5.220  -2.017
  490   2HG   LYS  66          HG3       LYS  66 -24.765  -6.956  -1.768
  491   1HD   LYS  66          HD2       LYS  66 -22.343  -5.253  -1.081
  492   2HD   LYS  66          HD3       LYS  66 -23.441  -6.011   0.059
  493   1HE   LYS  66          HE2       LYS  66 -21.500  -7.455  -1.806
  494   2HE   LYS  66          HE3       LYS  66 -21.228  -7.130  -0.100
  495   1HZ   LYS  66          HZ1       LYS  66 -21.990  -9.389  -0.429
  496   2HZ   LYS  66          HZ2       LYS  66 -23.095  -8.558   0.442
  497   3HZ   LYS  66          HZ3       LYS  66 -23.382  -8.885  -1.136
  498    H    TYR  67           H        TYR  67 -23.221  -5.442  -6.617
  499    HA   TYR  67           HA       TYR  67 -24.345  -2.683  -6.448
  500   1HB   TYR  67          HB2       TYR  67 -21.690  -3.289  -7.722
  501   2HB   TYR  67          HB3       TYR  67 -22.273  -1.784  -7.031
  502    HD1  TYR  67           HD1      TYR  67 -20.466  -4.870  -6.493
  503    HD2  TYR  67           HD2      TYR  67 -22.444  -1.638  -4.430
  504    HE1  TYR  67           HE1      TYR  67 -19.457  -5.620  -4.398
  505    HE2  TYR  67           HE2      TYR  67 -21.395  -2.352  -2.303
  506    HH   TYR  67           HH       TYR  67 -20.066  -3.947  -1.247
  507    H    GLY  68           H        GLY  68 -25.071  -5.329  -8.025
  508   1HA   GLY  68          HA2       GLY  68 -26.039  -5.794 -10.012
  509   2HA   GLY  68          HA3       GLY  68 -25.979  -4.070 -10.416
  510    H    VAL  69           H        VAL  69 -22.950  -5.688  -9.692
  511    HA   VAL  69           HA       VAL  69 -22.044  -5.399 -12.503
  512    HB   VAL  69           HB       VAL  69 -20.585  -6.092  -9.906
  513   1HG1  VAL  69          HG11      VAL  69 -19.446  -5.523 -12.681
  514   2HG1  VAL  69          HG12      VAL  69 -18.504  -5.695 -11.183
  515   3HG1  VAL  69          HG13      VAL  69 -19.385  -7.079 -11.821
  516   1HG2  VAL  69          HG21      VAL  69 -21.346  -3.745  -9.943
  517   2HG2  VAL  69          HG22      VAL  69 -19.595  -3.837 -10.127
  518   3HG2  VAL  69          HG23      VAL  69 -20.625  -3.517 -11.543
  519    H    MET  70           H        MET  70 -21.794  -7.157 -13.814
  520    HA   MET  70           HA       MET  70 -21.166  -9.731 -12.676
  521   1HB   MET  70          HB2       MET  70 -23.771  -9.574 -12.816
  522   2HB   MET  70          HB3       MET  70 -23.554  -9.702 -14.558
  523   1HG   MET  70          HG2       MET  70 -24.044 -11.861 -13.562
  524   2HG   MET  70          HG3       MET  70 -22.428 -11.902 -14.237
  525   1HE   MET  70          HE1       MET  70 -20.229 -13.011 -11.385
  526   2HE   MET  70          HE2       MET  70 -20.764 -13.371 -13.038
  527   3HE   MET  70          HE3       MET  70 -20.152 -11.752 -12.635
  528    H    SER  71           H        SER  71 -19.917  -7.611 -14.288
  529    HA   SER  71           HA       SER  71 -19.012  -9.133 -16.602
  530   1HB   SER  71          HB2       SER  71 -19.901  -6.214 -16.757
  531   2HB   SER  71          HB3       SER  71 -19.217  -7.177 -18.075
  532    HG   SER  71           HG       SER  71 -21.505  -7.028 -18.187
  533    H    ILE  72           H        ILE  72 -16.847  -8.285 -17.284
  534    HA   ILE  72           HA       ILE  72 -15.467  -6.720 -15.218
  535    HB   ILE  72           HB       ILE  72 -13.838  -8.430 -14.845
  536   1HG1  ILE  72          HG12      ILE  72 -13.877  -9.701 -16.925
  537   2HG1  ILE  72          HG13      ILE  72 -13.869 -10.670 -15.477
  538   1HG2  ILE  72          HG21      ILE  72 -15.056  -9.908 -13.395
  539   2HG2  ILE  72          HG22      ILE  72 -15.740  -8.278 -13.320
  540   3HG2  ILE  72          HG23      ILE  72 -16.581  -9.545 -14.220
  541   1HD1  ILE  72          HD11      ILE  72 -16.280 -11.189 -15.782
  542   2HD1  ILE  72          HD12      ILE  72 -16.268 -10.243 -17.294
  543   3HD1  ILE  72          HD13      ILE  72 -15.274 -11.694 -17.145
  544    HA   PRO  73           HA       PRO  73 -12.999  -6.491 -14.832
  545   1HB   PRO  73          HB2       PRO  73 -11.428  -4.291 -15.283
  546   2HB   PRO  73          HB3       PRO  73 -10.877  -5.969 -15.514
  547   1HG   PRO  73          HG2       PRO  73 -11.829  -4.005 -17.589
  548   2HG   PRO  73          HG3       PRO  73 -10.470  -5.167 -17.694
  549   1HD   PRO  73          HD2       PRO  73 -12.955  -5.618 -18.814
  550   2HD   PRO  73          HD3       PRO  73 -11.909  -6.934 -18.213
  551    H    THR  74           H        THR  74 -14.007  -5.215 -13.341
  552    HA   THR  74           HA       THR  74 -15.264  -2.681 -14.239
  553    HB   THR  74           HB       THR  74 -16.615  -4.869 -12.619
  554    HG1  THR  74           HG1      THR  74 -17.428  -5.307 -14.458
  555   1HG2  THR  74          HG21      THR  74 -17.349  -1.952 -13.103
  556   2HG2  THR  74          HG22      THR  74 -18.557  -3.186 -12.682
  557   3HG2  THR  74          HG23      THR  74 -17.235  -2.820 -11.563
  558    H    LEU  75           H        LEU  75 -14.474  -1.125 -13.098
  559    HA   LEU  75           HA       LEU  75 -12.956  -1.668 -10.600
  560   1HB   LEU  75          HB2       LEU  75 -13.114   0.780 -12.415
  561   2HB   LEU  75          HB3       LEU  75 -12.187   0.685 -10.926
  562    HG   LEU  75           HG       LEU  75 -11.700  -0.976 -13.441
  563   1HD1  LEU  75          HD11      LEU  75 -11.100   1.403 -13.681
  564   2HD1  LEU  75          HD12      LEU  75 -10.114   1.313 -12.206
  565   3HD1  LEU  75          HD13      LEU  75  -9.655   0.384 -13.647
  566   1HD2  LEU  75          HD21      LEU  75 -11.020  -2.289 -11.518
  567   2HD2  LEU  75          HD22      LEU  75  -9.587  -1.680 -12.334
  568   3HD2  LEU  75          HD23      LEU  75 -10.136  -0.912 -10.824
  569    H    LEU  76           H        LEU  76 -13.770  -0.858  -8.703
  570    HA   LEU  76           HA       LEU  76 -16.091   1.024  -8.806
  571   1HB   LEU  76          HB2       LEU  76 -15.845  -1.549  -7.275
  572   2HB   LEU  76          HB3       LEU  76 -16.339  -0.133  -6.357
  573    HG   LEU  76           HG       LEU  76 -18.177   0.283  -7.979
  574   1HD1  LEU  76          HD11      LEU  76 -17.521  -2.532  -8.967
  575   2HD1  LEU  76          HD12      LEU  76 -18.943  -1.558  -9.414
  576   3HD1  LEU  76          HD13      LEU  76 -17.332  -1.036  -9.900
  577   1HD2  LEU  76          HD21      LEU  76 -18.270  -2.420  -6.570
  578   2HD2  LEU  76          HD22      LEU  76 -18.518  -0.848  -5.789
  579   3HD2  LEU  76          HD23      LEU  76 -19.652  -1.405  -7.025
  580    H    VAL  77           H        VAL  77 -15.654   2.838  -7.621
  581    HA   VAL  77           HA       VAL  77 -13.182   2.807  -5.938
  582    HB   VAL  77           HB       VAL  77 -14.745   5.265  -6.797
  583   1HG1  VAL  77          HG11      VAL  77 -13.381   5.485  -4.749
  584   2HG1  VAL  77          HG12      VAL  77 -11.956   4.865  -5.614
  585   3HG1  VAL  77          HG13      VAL  77 -12.674   6.421  -6.069
  586   1HG2  VAL  77          HG21      VAL  77 -13.798   4.299  -8.863
  587   2HG2  VAL  77          HG22      VAL  77 -12.898   5.740  -8.393
  588   3HG2  VAL  77          HG23      VAL  77 -12.214   4.129  -8.077
  589    H    LEU  78           H        LEU  78 -13.635   2.546  -3.862
  590    HA   LEU  78           HA       LEU  78 -16.315   3.284  -2.792
  591   1HB   LEU  78          HB2       LEU  78 -14.472   1.084  -1.755
  592   2HB   LEU  78          HB3       LEU  78 -16.024   1.562  -1.101
  593    HG   LEU  78           HG       LEU  78 -16.769   0.939  -3.681
  594   1HD1  LEU  78          HD11      LEU  78 -14.520   0.136  -4.303
  595   2HD1  LEU  78          HD12      LEU  78 -14.544  -1.014  -2.959
  596   3HD1  LEU  78          HD13      LEU  78 -15.694  -1.188  -4.298
  597   1HD2  LEU  78          HD21      LEU  78 -16.569  -1.040  -1.380
  598   2HD2  LEU  78          HD22      LEU  78 -17.871   0.133  -1.626
  599   3HD2  LEU  78          HD23      LEU  78 -17.632  -1.170  -2.796
  600    H    LYS  79           H        LYS  79 -16.199   4.117  -0.573
  601    HA   LYS  79           HA       LYS  79 -13.519   4.827   0.395
  602   1HB   LYS  79          HB2       LYS  79 -14.281   6.728  -1.063
  603   2HB   LYS  79          HB3       LYS  79 -15.667   6.963   0.014
  604   1HG   LYS  79          HG2       LYS  79 -14.162   7.484   1.893
  605   2HG   LYS  79          HG3       LYS  79 -12.753   7.037   0.919
  606   1HD   LYS  79          HD2       LYS  79 -13.457   8.891  -0.716
  607   2HD   LYS  79          HD3       LYS  79 -14.599   9.433   0.526
  608   1HE   LYS  79          HE2       LYS  79 -12.754   9.848   2.097
  609   2HE   LYS  79          HE3       LYS  79 -11.607   9.068   1.001
  610   1HZ   LYS  79          HZ1       LYS  79 -11.314  11.343   0.626
  611   2HZ   LYS  79          HZ2       LYS  79 -12.176  10.843  -0.631
  612   3HZ   LYS  79          HZ3       LYS  79 -12.937  11.664   0.581
  613    H    ASP  80           H        ASP  80 -13.465   4.353   2.497
  614    HA   ASP  80           HA       ASP  80 -14.100   3.704   4.539
  615   1HB   ASP  80          HB2       ASP  80 -14.099   6.175   4.596
  616   2HB   ASP  80          HB3       ASP  80 -15.839   6.181   4.313
  617    H    GLY  81           H        GLY  81 -15.604   2.264   2.570
  618   1HA   GLY  81          HA2       GLY  81 -16.819   0.390   3.312
  619   2HA   GLY  81          HA3       GLY  81 -17.844   1.403   4.325
  620    H    GLU  82           H        GLU  82 -17.840   3.173   1.491
  621    HA   GLU  82           HA       GLU  82 -20.054   1.566   0.318
  622   1HB   GLU  82          HB2       GLU  82 -21.444   3.467   0.310
  623   2HB   GLU  82          HB3       GLU  82 -20.756   3.329   1.936
  624   1HG   GLU  82          HG2       GLU  82 -19.126   5.127   1.390
  625   2HG   GLU  82          HG3       GLU  82 -19.861   5.301  -0.207
  626    H    VAL  83           H        VAL  83 -20.411   1.821  -1.901
  627    HA   VAL  83           HA       VAL  83 -18.151   2.581  -3.551
  628    HB   VAL  83           HB       VAL  83 -19.505   0.726  -4.172
  629   1HG1  VAL  83          HG11      VAL  83 -21.912   2.569  -4.408
  630   2HG1  VAL  83          HG12      VAL  83 -21.827   0.878  -4.945
  631   3HG1  VAL  83          HG13      VAL  83 -21.698   1.251  -3.231
  632   1HG2  VAL  83          HG21      VAL  83 -18.481   2.040  -5.976
  633   2HG2  VAL  83          HG22      VAL  83 -19.984   1.264  -6.498
  634   3HG2  VAL  83          HG23      VAL  83 -19.972   2.997  -6.141
  635    H    VAL  84           H        VAL  84 -17.768   4.355  -4.591
  636    HA   VAL  84           HA       VAL  84 -19.695   6.607  -4.450
  637    HB   VAL  84           HB       VAL  84 -17.816   8.147  -4.225
  638   1HG1  VAL  84          HG11      VAL  84 -17.766   6.065  -1.999
  639   2HG1  VAL  84          HG12      VAL  84 -17.320   7.778  -1.879
  640   3HG1  VAL  84          HG13      VAL  84 -19.001   7.325  -2.200
  641   1HG2  VAL  84          HG21      VAL  84 -16.008   5.738  -3.758
  642   2HG2  VAL  84          HG22      VAL  84 -15.990   6.758  -5.219
  643   3HG2  VAL  84          HG23      VAL  84 -15.563   7.446  -3.648
  644    H    GLU  85           H        GLU  85 -17.566   4.607  -6.462
  645    HA   GLU  85           HA       GLU  85 -18.857   5.872  -8.743
  646   1HB   GLU  85          HB2       GLU  85 -16.875   7.375  -8.251
  647   2HB   GLU  85          HB3       GLU  85 -15.813   6.014  -8.579
  648   1HG   GLU  85          HG2       GLU  85 -16.004   7.639 -10.424
  649   2HG   GLU  85          HG3       GLU  85 -16.413   6.003 -10.903
  650    H    THR  86           H        THR  86 -18.236   4.749 -10.834
  651    HA   THR  86           HA       THR  86 -17.083   2.052 -10.544
  652    HB   THR  86           HB       THR  86 -19.901   2.676 -11.525
  653    HG1  THR  86           HG1      THR  86 -19.051   2.216  -9.172
  654   1HG2  THR  86          HG21      THR  86 -20.136   0.170 -11.758
  655   2HG2  THR  86          HG22      THR  86 -19.103   0.927 -12.976
  656   3HG2  THR  86          HG23      THR  86 -18.367   0.047 -11.623
  657    H    SER  87           H        SER  87 -16.257   1.267 -12.550
  658    HA   SER  87           HA       SER  87 -16.774   2.684 -15.054
  659   1HB   SER  87          HB2       SER  87 -13.986   2.490 -13.818
  660   2HB   SER  87          HB3       SER  87 -14.301   2.887 -15.518
  661    HG   SER  87           HG       SER  87 -15.749   4.367 -13.703
  662    H    VAL  88           H        VAL  88 -16.065   1.306 -16.897
  663    HA   VAL  88           HA       VAL  88 -15.557  -1.530 -16.145
  664    HB   VAL  88           HB       VAL  88 -17.678  -0.552 -18.104
  665   1HG1  VAL  88          HG11      VAL  88 -16.777  -2.745 -18.753
  666   2HG1  VAL  88          HG12      VAL  88 -17.013  -3.356 -17.099
  667   3HG1  VAL  88          HG13      VAL  88 -18.408  -2.934 -18.114
  668   1HG2  VAL  88          HG21      VAL  88 -18.475  -0.101 -15.824
  669   2HG2  VAL  88          HG22      VAL  88 -19.343  -1.473 -16.504
  670   3HG2  VAL  88          HG23      VAL  88 -18.043  -1.755 -15.330
  671    H    GLY  89           H        GLY  89 -14.308  -2.642 -17.612
  672   1HA   GLY  89          HA2       GLY  89 -13.160  -3.062 -19.604
  673   2HA   GLY  89          HA3       GLY  89 -13.559  -1.455 -20.213
  674    H    PHE  90           H        PHE  90 -11.087  -2.071 -20.685
  675    HA   PHE  90           HA       PHE  90  -9.132  -1.613 -18.640
  676   1HB   PHE  90          HB2       PHE  90  -8.610  -2.754 -20.743
  677   2HB   PHE  90          HB3       PHE  90  -9.047  -1.325 -21.671
  678    HD1  PHE  90           HD1      PHE  90  -6.506  -2.795 -19.388
  679    HD2  PHE  90           HD2      PHE  90  -7.521   0.560 -21.907
  680    HE1  PHE  90           HE1      PHE  90  -4.177  -1.940 -19.207
  681    HE2  PHE  90           HE2      PHE  90  -5.194   1.400 -21.723
  682    HZ   PHE  90           HZ       PHE  90  -3.522   0.152 -20.367
  683    H    LYS  91           H        LYS  91  -7.896   0.262 -18.215
  684    HA   LYS  91           HA       LYS  91  -8.534   2.776 -19.538
  685   1HB   LYS  91          HB2       LYS  91  -9.006   2.269 -16.585
  686   2HB   LYS  91          HB3       LYS  91  -8.241   3.791 -17.050
  687   1HG   LYS  91          HG2       LYS  91 -10.065   4.330 -18.571
  688   2HG   LYS  91          HG3       LYS  91 -10.895   2.811 -18.152
  689   1HD   LYS  91          HD2       LYS  91 -10.970   3.549 -15.758
  690   2HD   LYS  91          HD3       LYS  91 -10.273   5.103 -16.224
  691   1HE   LYS  91          HE2       LYS  91 -12.910   3.955 -17.265
  692   2HE   LYS  91          HE3       LYS  91 -12.776   5.108 -15.936
  693   1HZ   LYS  91          HZ1       LYS  91 -11.821   6.707 -17.497
  694   2HZ   LYS  91          HZ2       LYS  91 -11.969   5.647 -18.738
  695   3HZ   LYS  91          HZ3       LYS  91 -13.293   6.226 -17.992
  696    HA   PRO  92           HA       PRO  92  -4.068   2.743 -18.975
  697   1HB   PRO  92          HB2       PRO  92  -3.431   5.315 -19.605
  698   2HB   PRO  92          HB3       PRO  92  -4.008   4.139 -20.833
  699   1HG   PRO  92          HG2       PRO  92  -5.616   6.255 -19.393
  700   2HG   PRO  92          HG3       PRO  92  -5.578   5.897 -21.148
  701   1HD   PRO  92          HD2       PRO  92  -7.508   4.892 -19.472
  702   2HD   PRO  92          HD3       PRO  92  -6.901   3.975 -20.883
  703    H    LYS  93           H        LYS  93  -2.455   3.647 -17.437
  704    HA   LYS  93           HA       LYS  93  -3.578   3.952 -14.867
  705   1HB   LYS  93          HB2       LYS  93  -1.365   2.940 -15.452
  706   2HB   LYS  93          HB3       LYS  93  -0.751   4.530 -15.862
  707   1HG   LYS  93          HG2       LYS  93  -1.909   4.500 -13.137
  708   2HG   LYS  93          HG3       LYS  93  -0.750   3.201 -13.346
  709   1HD   LYS  93          HD2       LYS  93   0.445   5.088 -12.519
  710   2HD   LYS  93          HD3       LYS  93   0.916   4.843 -14.219
  711   1HE   LYS  93          HE2       LYS  93  -0.557   6.664 -14.933
  712   2HE   LYS  93          HE3       LYS  93  -1.190   6.847 -13.288
  713   1HZ   LYS  93          HZ1       LYS  93   0.471   8.500 -13.909
  714   2HZ   LYS  93          HZ2       LYS  93   0.944   7.607 -12.574
  715   3HZ   LYS  93          HZ3       LYS  93   1.625   7.335 -14.041
  716    H    GLU  94           H        GLU  94  -2.399   6.467 -17.185
  717    HA   GLU  94           HA       GLU  94  -2.382   8.494 -15.245
  718   1HB   GLU  94          HB2       GLU  94  -1.384   8.294 -17.701
  719   2HB   GLU  94          HB3       GLU  94  -2.922   9.032 -18.160
  720   1HG   GLU  94          HG2       GLU  94  -1.471  10.828 -17.866
  721   2HG   GLU  94          HG3       GLU  94  -2.398  10.805 -16.363
  722    H    ALA  95           H        ALA  95  -5.015   7.245 -17.303
  723    HA   ALA  95           HA       ALA  95  -6.940   9.249 -16.546
  724   1HB   ALA  95          HB1       ALA  95  -7.306   6.377 -17.484
  725   2HB   ALA  95          HB2       ALA  95  -8.578   7.611 -17.397
  726   3HB   ALA  95          HB3       ALA  95  -7.234   7.818 -18.540
  727    H    LEU  96           H        LEU  96  -6.008   5.999 -15.328
  728    HA   LEU  96           HA       LEU  96  -8.055   5.812 -13.399
  729   1HB   LEU  96          HB2       LEU  96  -6.706   3.908 -14.216
  730   2HB   LEU  96          HB3       LEU  96  -5.280   4.563 -13.405
  731    HG   LEU  96           HG       LEU  96  -6.329   4.245 -11.206
  732   1HD1  LEU  96          HD11      LEU  96  -8.715   3.194 -12.783
  733   2HD1  LEU  96          HD12      LEU  96  -8.476   2.941 -11.039
  734   3HD1  LEU  96          HD13      LEU  96  -8.687   4.572 -11.657
  735   1HD2  LEU  96          HD21      LEU  96  -5.034   2.406 -12.283
  736   2HD2  LEU  96          HD22      LEU  96  -6.273   1.818 -11.172
  737   3HD2  LEU  96          HD23      LEU  96  -6.551   1.738 -12.926
  738    H    GLN  97           H        GLN  97  -4.737   7.217 -13.140
  739    HA   GLN  97           HA       GLN  97  -5.131   7.797 -10.341
  740   1HB   GLN  97          HB2       GLN  97  -3.116   9.026 -10.333
  741   2HB   GLN  97          HB3       GLN  97  -2.892   7.550 -11.247
  742   1HG   GLN  97          HG2       GLN  97  -1.710   9.121 -12.464
  743   2HG   GLN  97          HG3       GLN  97  -3.219   8.943 -13.339
  744   1HE2  GLN  97          HE22      GLN  97  -4.010  10.885 -14.081
  745   2HE2  GLN  97          HE21      GLN  97  -3.740  12.440 -13.309
  746    H    GLU  98           H        GLU  98  -5.894   9.548 -13.350
  747    HA   GLU  98           HA       GLU  98  -6.492  12.030 -12.071
  748   1HB   GLU  98          HB2       GLU  98  -6.100  11.910 -14.459
  749   2HB   GLU  98          HB3       GLU  98  -7.437  10.784 -14.693
  750   1HG   GLU  98          HG2       GLU  98  -9.058  12.471 -14.078
  751   2HG   GLU  98          HG3       GLU  98  -7.780  13.616 -13.648
  752    H    LEU  99           H        LEU  99  -8.379   9.096 -12.733
  753    HA   LEU  99           HA       LEU  99 -10.863  10.007 -11.609
  754   1HB   LEU  99          HB2       LEU  99 -10.755   8.007 -12.989
  755   2HB   LEU  99          HB3       LEU  99  -9.662   7.224 -11.861
  756    HG   LEU  99           HG       LEU  99 -11.432   7.174 -10.124
  757   1HD1  LEU  99          HD11      LEU  99 -12.800   9.109 -10.785
  758   2HD1  LEU  99          HD12      LEU  99 -13.220   8.314 -12.323
  759   3HD1  LEU  99          HD13      LEU  99 -13.772   7.644 -10.773
  760   1HD2  LEU  99          HD21      LEU  99 -12.251   5.956 -12.795
  761   2HD2  LEU  99          HD22      LEU  99 -11.108   5.255 -11.627
  762   3HD2  LEU  99          HD23      LEU  99 -12.812   5.439 -11.190
  763    H    VAL 100           H        VAL 100  -8.180   8.094 -10.108
  764    HA   VAL 100           HA       VAL 100  -9.417   7.899  -7.585
  765    HB   VAL 100           HB       VAL 100  -6.553   7.620  -8.546
  766   1HG1  VAL 100          HG11      VAL 100  -5.998   6.557  -6.363
  767   2HG1  VAL 100          HG12      VAL 100  -6.278   8.287  -6.225
  768   3HG1  VAL 100          HG13      VAL 100  -7.545   7.159  -5.703
  769   1HG2  VAL 100          HG21      VAL 100  -8.575   5.587  -7.484
  770   2HG2  VAL 100          HG22      VAL 100  -8.258   5.887  -9.200
  771   3HG2  VAL 100          HG23      VAL 100  -6.977   5.232  -8.175
  772    H    ASN 101           H        ASN 101  -7.068  10.360  -8.768
  773    HA   ASN 101           HA       ASN 101  -6.572  11.435  -6.231
  774   1HB   ASN 101          HB2       ASN 101  -5.230  12.918  -7.219
  775   2HB   ASN 101          HB3       ASN 101  -5.452  11.904  -8.634
  776   1HD2  ASN 101          HD22      ASN 101  -7.231  12.625 -10.209
  777   2HD2  ASN 101          HD21      ASN 101  -7.446  14.345 -10.385
  778    H    LYS 102           H        LYS 102  -9.307  12.039  -8.318
  779    HA   LYS 102           HA       LYS 102 -10.227  14.378  -6.845
  780   1HB   LYS 102          HB2       LYS 102 -11.639  12.525  -8.786
  781   2HB   LYS 102          HB3       LYS 102 -12.395  13.935  -8.026
  782   1HG   LYS 102          HG2       LYS 102 -10.526  15.377  -8.932
  783   2HG   LYS 102          HG3       LYS 102  -9.960  13.988  -9.863
  784   1HD   LYS 102          HD2       LYS 102 -12.708  15.298 -10.052
  785   2HD   LYS 102          HD3       LYS 102 -11.394  15.537 -11.200
  786   1HE   LYS 102          HE2       LYS 102 -12.649  12.826 -10.587
  787   2HE   LYS 102          HE3       LYS 102 -13.219  13.890 -11.879
  788   1HZ   LYS 102          HZ1       LYS 102 -10.492  12.713 -11.721
  789   2HZ   LYS 102          HZ2       LYS 102 -11.690  12.285 -12.762
  790   3HZ   LYS 102          HZ3       LYS 102 -11.011  13.758 -12.880
  791    H    HIS 103           H        HIS 103 -10.536  10.888  -6.346
  792    HA   HIS 103           HA       HIS 103 -12.775  11.243  -4.460
  793   1HB   HIS 103          HB2       HIS 103 -11.270   8.793  -5.450
  794   2HB   HIS 103          HB3       HIS 103 -12.537   8.745  -4.227
  795    HD1  HIS 103           HD1      HIS 103 -15.008   9.911  -5.150
  796    HD2  HIS 103           HD2      HIS 103 -12.156   8.509  -7.912
  797    HE1  HIS 103           HE1      HIS 103 -16.238   9.591  -7.354
  798    H    LEU 104           H        LEU 104  -9.274  11.063  -4.339
  799    HA   LEU 104           HA       LEU 104  -8.899  10.175  -1.681
  800   1HB   LEU 104          HB2       LEU 104  -7.334  12.283  -3.207
  801   2HB   LEU 104          HB3       LEU 104  -6.843  11.553  -1.687
  802    HG   LEU 104           HG       LEU 104  -7.131  10.121  -4.355
  803   1HD1  LEU 104          HD11      LEU 104  -4.699   9.852  -4.190
  804   2HD1  LEU 104          HD12      LEU 104  -5.147  11.564  -4.153
  805   3HD1  LEU 104          HD13      LEU 104  -4.695  10.741  -2.648
  806   1HD2  LEU 104          HD21      LEU 104  -7.758   8.512  -2.664
  807   2HD2  LEU 104          HD22      LEU 104  -6.113   8.155  -3.180
  808   3HD2  LEU 104          HD23      LEU 104  -6.389   8.984  -1.630
  Start of MODEL    8
    1   1H    MET   1          H1        MET   1   3.312  -0.804   0.987
    2   2H    MET   1          H2        MET   1   4.345  -0.390  -0.212
    3   3H    MET   1          H3        MET   1   3.511   0.776   0.595
    4    HA   MET   1           HA       MET   1   1.442  -0.032  -0.246
    5   1HB   MET   1          HB2       MET   1   1.597   0.643  -2.534
    6   2HB   MET   1          HB3       MET   1   2.530   1.738  -1.534
    7   1HG   MET   1          HG2       MET   1   3.656  -0.441  -3.343
    8   2HG   MET   1          HG3       MET   1   3.549   1.271  -3.704
    9   1HE   MET   1          HE1       MET   1   7.382   0.769  -3.511
   10   2HE   MET   1          HE2       MET   1   6.164  -0.355  -4.152
   11   3HE   MET   1          HE3       MET   1   6.020   1.390  -4.469
   12    H    ALA   2           H        ALA   2   0.223  -1.728  -0.988
   13    HA   ALA   2           HA       ALA   2   1.300  -3.755  -2.706
   14   1HB   ALA   2          HB1       ALA   2   2.163  -4.669  -0.551
   15   2HB   ALA   2          HB2       ALA   2   0.534  -4.548   0.156
   16   3HB   ALA   2          HB3       ALA   2   0.846  -5.674  -1.180
   17    H    ILE   3           H        ILE   3  -0.328  -4.917  -3.655
   18    HA   ILE   3           HA       ILE   3  -3.059  -3.929  -3.483
   19    HB   ILE   3           HB       ILE   3  -1.644  -6.099  -5.096
   20   1HG1  ILE   3          HG12      ILE   3  -2.642  -3.309  -5.851
   21   2HG1  ILE   3          HG13      ILE   3  -0.967  -3.726  -5.537
   22   1HG2  ILE   3          HG21      ILE   3  -4.012  -6.728  -4.935
   23   2HG2  ILE   3          HG22      ILE   3  -4.505  -5.100  -5.456
   24   3HG2  ILE   3          HG23      ILE   3  -3.626  -6.197  -6.551
   25   1HD1  ILE   3          HD11      ILE   3  -2.625  -4.707  -7.864
   26   2HD1  ILE   3          HD12      ILE   3  -1.247  -3.602  -7.867
   27   3HD1  ILE   3          HD13      ILE   3  -0.988  -5.304  -7.432
   28    H    VAL   4           H        VAL   4  -4.892  -5.339  -2.982
   29    HA   VAL   4           HA       VAL   4  -4.304  -7.423  -0.937
   30    HB   VAL   4           HB       VAL   4  -6.474  -5.286  -0.931
   31   1HG1  VAL   4          HG11      VAL   4  -5.622  -7.228   1.252
   32   2HG1  VAL   4          HG12      VAL   4  -6.743  -5.868   1.475
   33   3HG1  VAL   4          HG13      VAL   4  -7.193  -7.179   0.407
   34   1HG2  VAL   4          HG21      VAL   4  -3.867  -5.311   0.640
   35   2HG2  VAL   4          HG22      VAL   4  -4.374  -4.109  -0.571
   36   3HG2  VAL   4          HG23      VAL   4  -5.232  -4.219   0.956
   37    H    LYS   5           H        LYS   5  -6.370  -8.806  -0.670
   38    HA   LYS   5           HA       LYS   5  -8.036  -9.018  -3.106
   39   1HB   LYS   5          HB2       LYS   5  -6.321 -11.212  -1.873
   40   2HB   LYS   5          HB3       LYS   5  -7.800 -11.597  -2.737
   41   1HG   LYS   5          HG2       LYS   5  -6.969 -11.182  -4.772
   42   2HG   LYS   5          HG3       LYS   5  -6.035  -9.776  -4.278
   43   1HD   LYS   5          HD2       LYS   5  -5.188 -12.641  -3.698
   44   2HD   LYS   5          HD3       LYS   5  -4.665 -11.700  -5.108
   45   1HE   LYS   5          HE2       LYS   5  -3.730  -9.949  -3.614
   46   2HE   LYS   5          HE3       LYS   5  -4.215 -10.887  -2.198
   47   1HZ   LYS   5          HZ1       LYS   5  -1.893 -11.258  -2.742
   48   2HZ   LYS   5          HZ2       LYS   5  -2.713 -12.652  -2.932
   49   3HZ   LYS   5          HZ3       LYS   5  -2.259 -11.782  -4.239
   50    H    ALA   6           H        ALA   6 -10.121  -9.764  -2.588
   51    HA   ALA   6           HA       ALA   6 -10.664 -10.638   0.168
   52   1HB   ALA   6          HB1       ALA   6 -12.434  -8.992   0.516
   53   2HB   ALA   6          HB2       ALA   6 -10.918  -8.135   0.202
   54   3HB   ALA   6          HB3       ALA   6 -12.140  -8.278  -1.084
   55    H    THR   7           H        THR   7 -13.096 -11.196   0.333
   56    HA   THR   7           HA       THR   7 -14.318 -11.954  -2.212
   57    HB   THR   7           HB       THR   7 -14.971 -14.163  -1.315
   58    HG1  THR   7           HG1      THR   7 -13.097 -13.691   0.758
   59   1HG2  THR   7          HG21      THR   7 -12.918 -15.378  -1.602
   60   2HG2  THR   7          HG22      THR   7 -12.916 -14.013  -2.733
   61   3HG2  THR   7          HG23      THR   7 -11.938 -13.937  -1.257
   62    H    ASP   8           H        ASP   8 -16.748 -12.565  -1.597
   63    HA   ASP   8           HA       ASP   8 -18.040 -10.436  -0.487
   64   1HB   ASP   8          HB2       ASP   8 -19.035 -12.529  -1.677
   65   2HB   ASP   8          HB3       ASP   8 -19.118 -13.250  -0.081
   66    H    GLN   9           H        GLN   9 -16.635 -13.078   1.269
   67    HA   GLN   9           HA       GLN   9 -17.869 -12.916   3.790
   68   1HB   GLN   9          HB2       GLN   9 -15.116 -13.823   2.850
   69   2HB   GLN   9          HB3       GLN   9 -15.651 -13.993   4.511
   70   1HG   GLN   9          HG2       GLN   9 -15.897 -16.080   3.253
   71   2HG   GLN   9          HG3       GLN   9 -17.414 -15.501   3.928
   72   1HE2  GLN   9          HE22      GLN   9 -15.585 -15.057   0.756
   73   2HE2  GLN   9          HE21      GLN   9 -17.004 -15.409  -0.219
   74    H    SER  10           H        SER  10 -15.201 -10.972   2.424
   75    HA   SER  10           HA       SER  10 -15.146  -9.342   4.925
   76   1HB   SER  10          HB2       SER  10 -12.655 -10.452   3.560
   77   2HB   SER  10          HB3       SER  10 -12.730  -9.537   5.073
   78    HG   SER  10           HG       SER  10 -12.497 -11.788   5.424
   79    H    PHE  11           H        PHE  11 -15.348  -9.229   1.573
   80    HA   PHE  11           HA       PHE  11 -13.781  -7.056   0.811
   81   1HB   PHE  11          HB2       PHE  11 -15.169  -8.430  -0.687
   82   2HB   PHE  11          HB3       PHE  11 -16.637  -7.789   0.034
   83    HD1  PHE  11           HD1      PHE  11 -17.333  -5.419  -0.402
   84    HD2  PHE  11           HD2      PHE  11 -13.875  -7.167  -2.306
   85    HE1  PHE  11           HE1      PHE  11 -17.318  -3.589  -2.076
   86    HE2  PHE  11           HE2      PHE  11 -13.905  -5.378  -4.002
   87    HZ   PHE  11           HZ       PHE  11 -15.650  -3.587  -3.903
   88    H    SER  12           H        SER  12 -16.883  -7.024   2.634
   89    HA   SER  12           HA       SER  12 -17.234  -4.218   2.448
   90   1HB   SER  12          HB2       SER  12 -18.278  -6.059   4.633
   91   2HB   SER  12          HB3       SER  12 -19.002  -4.547   4.055
   92    HG   SER  12           HG       SER  12 -20.021  -6.412   3.183
   93    H    ALA  13           H        ALA  13 -15.541  -6.249   4.835
   94    HA   ALA  13           HA       ALA  13 -15.030  -4.119   6.698
   95   1HB   ALA  13          HB1       ALA  13 -14.929  -6.497   7.367
   96   2HB   ALA  13          HB2       ALA  13 -13.559  -6.763   6.260
   97   3HB   ALA  13          HB3       ALA  13 -13.379  -5.683   7.657
   98    H    GLU  14           H        GLU  14 -13.220  -5.619   3.974
   99    HA   GLU  14           HA       GLU  14 -10.853  -4.112   4.310
  100   1HB   GLU  14          HB2       GLU  14 -12.098  -5.557   1.940
  101   2HB   GLU  14          HB3       GLU  14 -10.577  -4.688   1.768
  102   1HG   GLU  14          HG2       GLU  14 -11.099  -6.888   3.802
  103   2HG   GLU  14          HG3       GLU  14 -10.297  -7.121   2.246
  104    H    THR  15           H        THR  15 -13.795  -3.398   2.354
  105    HA   THR  15           HA       THR  15 -12.581  -1.053   1.236
  106    HB   THR  15           HB       THR  15 -14.920  -0.655   0.361
  107    HG1  THR  15           HG1      THR  15 -15.341  -3.306   1.272
  108   1HG2  THR  15          HG21      THR  15 -13.195  -1.732  -0.984
  109   2HG2  THR  15          HG22      THR  15 -13.505  -3.304  -0.223
  110   3HG2  THR  15          HG23      THR  15 -14.740  -2.542  -1.245
  111    H    SER  16           H        SER  16 -13.345  -1.452   4.353
  112    HA   SER  16           HA       SER  16 -14.599   1.220   4.700
  113   1HB   SER  16          HB2       SER  16 -14.714  -1.233   6.497
  114   2HB   SER  16          HB3       SER  16 -15.459   0.339   6.834
  115    HG   SER  16           HG       SER  16 -16.156  -1.609   4.946
  116    H    GLU  17           H        GLU  17 -11.764   0.914   4.272
  117    HA   GLU  17           HA       GLU  17 -10.824   1.983   6.904
  118   1HB   GLU  17          HB2       GLU  17  -9.243   0.290   4.930
  119   2HB   GLU  17          HB3       GLU  17  -8.621   0.987   6.431
  120   1HG   GLU  17          HG2       GLU  17 -10.383  -0.356   7.676
  121   2HG   GLU  17          HG3       GLU  17 -10.683  -1.219   6.158
  122    H    GLY  18           H        GLY  18 -11.401   2.971   3.728
  123   1HA   GLY  18          HA2       GLY  18 -10.153   5.447   3.818
  124   2HA   GLY  18          HA3       GLY  18  -8.914   4.310   3.220
  125    H    VAL  19           H        VAL  19  -9.091   5.670   1.212
  126    HA   VAL  19           HA       VAL  19 -11.397   5.111  -0.528
  127    HB   VAL  19           HB       VAL  19  -8.608   6.196  -1.147
  128   1HG1  VAL  19          HG11      VAL  19  -9.587   6.888  -3.324
  129   2HG1  VAL  19          HG12      VAL  19  -9.625   5.133  -3.154
  130   3HG1  VAL  19          HG13      VAL  19 -11.109   6.071  -2.907
  131   1HG2  VAL  19          HG21      VAL  19  -9.763   8.362  -1.429
  132   2HG2  VAL  19          HG22      VAL  19 -11.288   7.626  -0.936
  133   3HG2  VAL  19          HG23      VAL  19  -9.941   7.770   0.226
  134    H    VAL  20           H        VAL  20 -11.542   3.253  -1.770
  135    HA   VAL  20           HA       VAL  20  -9.187   1.464  -1.900
  136    HB   VAL  20           HB       VAL  20 -11.968   0.547  -1.042
  137   1HG1  VAL  20          HG11      VAL  20 -10.746  -1.161  -2.303
  138   2HG1  VAL  20          HG12      VAL  20  -9.291  -0.882  -1.326
  139   3HG1  VAL  20          HG13      VAL  20 -10.747  -1.593  -0.590
  140   1HG2  VAL  20          HG21      VAL  20  -9.449   1.054   0.595
  141   2HG2  VAL  20          HG22      VAL  20 -11.096   1.652   0.878
  142   3HG2  VAL  20          HG23      VAL  20 -10.721  -0.043   1.143
  143    H    LEU  21           H        LEU  21  -8.890   0.782  -3.911
  144    HA   LEU  21           HA       LEU  21 -11.025   1.202  -5.939
  145   1HB   LEU  21          HB2       LEU  21  -8.786   2.129  -6.451
  146   2HB   LEU  21          HB3       LEU  21  -8.054   0.540  -6.192
  147    HG   LEU  21           HG       LEU  21  -9.374  -0.357  -8.132
  148   1HD1  LEU  21          HD11      LEU  21 -11.299   1.144  -8.186
  149   2HD1  LEU  21          HD12      LEU  21 -10.238   2.558  -8.414
  150   3HD1  LEU  21          HD13      LEU  21 -10.392   1.342  -9.689
  151   1HD2  LEU  21          HD21      LEU  21  -7.718   2.117  -8.774
  152   2HD2  LEU  21          HD22      LEU  21  -7.067   0.504  -8.410
  153   3HD2  LEU  21          HD23      LEU  21  -8.055   0.746  -9.857
  154    H    ALA  22           H        ALA  22 -12.385  -0.541  -5.740
  155    HA   ALA  22           HA       ALA  22 -11.313  -3.265  -5.350
  156   1HB   ALA  22          HB1       ALA  22 -13.708  -3.891  -5.698
  157   2HB   ALA  22          HB2       ALA  22 -13.435  -2.796  -4.319
  158   3HB   ALA  22          HB3       ALA  22 -14.100  -2.167  -5.846
  159    H    ASP  23           H        ASP  23 -11.173  -4.737  -7.025
  160    HA   ASP  23           HA       ASP  23 -11.788  -3.860  -9.813
  161   1HB   ASP  23          HB2       ASP  23  -9.427  -3.548  -9.606
  162   2HB   ASP  23          HB3       ASP  23  -9.233  -5.070  -8.732
  163    H    PHE  24           H        PHE  24 -13.538  -5.046 -10.087
  164    HA   PHE  24           HA       PHE  24 -13.767  -7.849  -9.271
  165   1HB   PHE  24          HB2       PHE  24 -15.573  -5.964 -10.834
  166   2HB   PHE  24          HB3       PHE  24 -15.942  -7.650 -10.525
  167    HD1  PHE  24           HD1      PHE  24 -15.319  -4.355  -8.847
  168    HD2  PHE  24           HD2      PHE  24 -16.836  -8.371  -8.403
  169    HE1  PHE  24           HE1      PHE  24 -16.125  -3.810  -6.568
  170    HE2  PHE  24           HE2      PHE  24 -17.653  -7.807  -6.139
  171    HZ   PHE  24           HZ       PHE  24 -17.252  -5.539  -5.195
  172    H    TRP  25           H        TRP  25 -12.749  -9.352 -10.482
  173    HA   TRP  25           HA       TRP  25 -12.290  -8.839 -13.380
  174   1HB   TRP  25          HB2       TRP  25  -9.991  -9.255 -13.234
  175   2HB   TRP  25          HB3       TRP  25 -10.336  -8.059 -12.008
  176    HD1  TRP  25           HD1      TRP  25 -10.710  -9.300  -9.448
  177    HE1  TRP  25           HE1      TRP  25  -9.299 -11.126  -8.332
  178    HE3  TRP  25           HE3      TRP  25  -8.268 -11.056 -13.588
  179    HZ2  TRP  25           HZ2      TRP  25  -7.233 -12.989  -9.116
  180    HZ3  TRP  25           HZ3      TRP  25  -6.528 -12.805 -13.357
  181    HH2  TRP  25           HH2      TRP  25  -6.034 -13.811 -11.145
  182    H    ALA  26           H        ALA  26 -11.164 -10.915 -14.337
  183    HA   ALA  26           HA       ALA  26 -11.702 -13.384 -12.933
  184   1HB   ALA  26          HB1       ALA  26 -13.869 -13.006 -14.158
  185   2HB   ALA  26          HB2       ALA  26 -12.956 -12.936 -15.685
  186   3HB   ALA  26          HB3       ALA  26 -12.981 -14.429 -14.719
  187    HA   PRO  27           HA       PRO  27  -7.826 -13.762 -14.860
  188   1HB   PRO  27          HB2       PRO  27  -7.277 -16.461 -14.793
  189   2HB   PRO  27          HB3       PRO  27  -7.362 -15.427 -13.337
  190   1HG   PRO  27          HG2       PRO  27  -9.524 -17.216 -14.480
  191   2HG   PRO  27          HG3       PRO  27  -8.983 -17.069 -12.775
  192   1HD   PRO  27          HD2       PRO  27 -11.189 -15.758 -13.728
  193   2HD   PRO  27          HD3       PRO  27 -10.115 -15.023 -12.494
  194    H    TRP  28           H        TRP  28 -10.444 -15.536 -16.464
  195    HA   TRP  28           HA       TRP  28  -8.839 -16.103 -18.834
  196   1HB   TRP  28          HB2       TRP  28 -11.145 -16.818 -19.699
  197   2HB   TRP  28          HB3       TRP  28 -10.404 -17.718 -18.398
  198    HD1  TRP  28           HD1      TRP  28 -12.617 -14.544 -18.007
  199    HE1  TRP  28           HE1      TRP  28 -14.642 -15.121 -16.584
  200    HE3  TRP  28           HE3      TRP  28 -11.717 -19.544 -17.328
  201    HZ2  TRP  28           HZ2      TRP  28 -15.714 -17.446 -15.218
  202    HZ3  TRP  28           HZ3      TRP  28 -13.253 -20.909 -15.942
  203    HH2  TRP  28           HH2      TRP  28 -15.250 -19.872 -14.882
  204    H    CYS  29           H        CYS  29 -10.186 -13.221 -17.667
  205    HA   CYS  29           HA       CYS  29 -11.194 -12.259 -20.264
  206   1HB   CYS  29          HB2       CYS  29 -12.387 -11.673 -18.185
  207   2HB   CYS  29          HB3       CYS  29 -10.905 -10.953 -17.535
  208    HG   CYS  29           HG       CYS  29 -12.692 -10.108 -20.200
  209    H    GLY  30           H        GLY  30  -9.687 -11.613 -21.731
  210   1HA   GLY  30          HA2       GLY  30  -6.969 -11.117 -21.353
  211   2HA   GLY  30          HA3       GLY  30  -7.947 -10.473 -22.680
  212    HA   PRO  31           HA       PRO  31  -7.919  -6.333 -21.048
  213   1HB   PRO  31          HB2       PRO  31 -10.770  -6.614 -20.092
  214   2HB   PRO  31          HB3       PRO  31  -9.992  -5.207 -20.886
  215   1HG   PRO  31          HG2       PRO  31 -11.479  -6.929 -22.345
  216   2HG   PRO  31          HG3       PRO  31  -9.889  -6.388 -22.978
  217   1HD   PRO  31          HD2       PRO  31 -10.593  -9.003 -21.651
  218   2HD   PRO  31          HD3       PRO  31  -9.515  -8.692 -23.039
  219    H    CYS  32           H        CYS  32  -9.350  -8.623 -18.617
  220    HA   CYS  32           HA       CYS  32  -8.578  -7.048 -16.334
  221   1HB   CYS  32          HB2       CYS  32  -8.937 -10.074 -16.567
  222   2HB   CYS  32          HB3       CYS  32  -8.662  -9.180 -15.078
  223    HG   CYS  32           HG       CYS  32 -11.146  -8.770 -17.239
  224    H    LYS  33           H        LYS  33  -6.804  -9.515 -18.303
  225    HA   LYS  33           HA       LYS  33  -4.435  -9.450 -16.626
  226   1HB   LYS  33          HB2       LYS  33  -4.653 -10.103 -19.602
  227   2HB   LYS  33          HB3       LYS  33  -3.263 -10.394 -18.563
  228   1HG   LYS  33          HG2       LYS  33  -4.618 -11.953 -17.174
  229   2HG   LYS  33          HG3       LYS  33  -6.001 -11.704 -18.260
  230   1HD   LYS  33          HD2       LYS  33  -4.644 -12.541 -20.173
  231   2HD   LYS  33          HD3       LYS  33  -3.277 -12.818 -19.070
  232   1HE   LYS  33          HE2       LYS  33  -4.705 -14.383 -17.741
  233   2HE   LYS  33          HE3       LYS  33  -6.026 -14.129 -18.885
  234   1HZ   LYS  33          HZ1       LYS  33  -4.795 -16.140 -19.387
  235   2HZ   LYS  33          HZ2       LYS  33  -4.619 -15.090 -20.620
  236   3HZ   LYS  33          HZ3       LYS  33  -3.397 -15.324 -19.557
  237    H    MET  34           H        MET  34  -5.552  -7.553 -19.461
  238    HA   MET  34           HA       MET  34  -3.122  -6.137 -19.852
  239   1HB   MET  34          HB2       MET  34  -5.980  -5.307 -20.502
  240   2HB   MET  34          HB3       MET  34  -4.536  -4.490 -21.094
  241   1HG   MET  34          HG2       MET  34  -3.817  -6.434 -22.320
  242   2HG   MET  34          HG3       MET  34  -5.076  -7.432 -21.602
  243   1HE   MET  34          HE1       MET  34  -6.296  -7.423 -25.262
  244   2HE   MET  34          HE2       MET  34  -4.631  -7.541 -24.650
  245   3HE   MET  34          HE3       MET  34  -5.950  -8.394 -23.814
  246    H    ILE  35           H        ILE  35  -5.964  -5.352 -17.755
  247    HA   ILE  35           HA       ILE  35  -4.753  -2.816 -17.031
  248    HB   ILE  35           HB       ILE  35  -7.224  -3.314 -17.229
  249   1HG1  ILE  35          HG12      ILE  35  -6.229  -1.873 -14.741
  250   2HG1  ILE  35          HG13      ILE  35  -6.281  -1.222 -16.382
  251   1HG2  ILE  35          HG21      ILE  35  -7.240  -5.367 -15.810
  252   2HG2  ILE  35          HG22      ILE  35  -6.972  -4.353 -14.380
  253   3HG2  ILE  35          HG23      ILE  35  -8.451  -4.181 -15.346
  254   1HD1  ILE  35          HD11      ILE  35  -8.643  -1.962 -14.617
  255   2HD1  ILE  35          HD12      ILE  35  -8.177  -0.362 -15.228
  256   3HD1  ILE  35          HD13      ILE  35  -8.800  -1.590 -16.348
  257    H    ALA  36           H        ALA  36  -4.324  -6.073 -15.833
  258    HA   ALA  36           HA       ALA  36  -3.819  -5.606 -13.145
  259   1HB   ALA  36          HB1       ALA  36  -2.433  -7.614 -13.178
  260   2HB   ALA  36          HB2       ALA  36  -3.910  -7.839 -14.133
  261   3HB   ALA  36          HB3       ALA  36  -2.354  -7.569 -14.947
  262    HA   PRO  37           HA       PRO  37   0.719  -4.328 -13.856
  263   1HB   PRO  37          HB2       PRO  37   1.485  -3.226 -16.281
  264   2HB   PRO  37          HB3       PRO  37   1.709  -4.939 -15.817
  265   1HG   PRO  37          HG2       PRO  37  -0.540  -3.726 -17.446
  266   2HG   PRO  37          HG3       PRO  37   0.417  -5.200 -17.803
  267   1HD   PRO  37          HD2       PRO  37  -2.008  -5.383 -16.661
  268   2HD   PRO  37          HD3       PRO  37  -0.683  -6.433 -16.101
  269    H    VAL  38           H        VAL  38  -1.931  -2.549 -15.528
  270    HA   VAL  38           HA       VAL  38  -0.944   0.057 -14.898
  271    HB   VAL  38           HB       VAL  38  -3.855  -0.797 -15.225
  272   1HG1  VAL  38          HG11      VAL  38  -2.496   1.895 -15.562
  273   2HG1  VAL  38          HG12      VAL  38  -4.209   1.546 -15.876
  274   3HG1  VAL  38          HG13      VAL  38  -3.582   1.446 -14.232
  275   1HG2  VAL  38          HG21      VAL  38  -3.603  -0.046 -17.579
  276   2HG2  VAL  38          HG22      VAL  38  -1.853   0.130 -17.332
  277   3HG2  VAL  38          HG23      VAL  38  -2.618  -1.472 -17.242
  278    H    LEU  39           H        LEU  39  -3.080  -2.279 -13.155
  279    HA   LEU  39           HA       LEU  39  -3.498  -0.599 -10.894
  280   1HB   LEU  39          HB2       LEU  39  -3.559  -3.633 -11.138
  281   2HB   LEU  39          HB3       LEU  39  -4.097  -2.742  -9.723
  282    HG   LEU  39           HG       LEU  39  -5.315  -2.399 -12.500
  283   1HD1  LEU  39          HD11      LEU  39  -5.702  -4.668 -11.655
  284   2HD1  LEU  39          HD12      LEU  39  -6.341  -4.005 -10.127
  285   3HD1  LEU  39          HD13      LEU  39  -7.196  -3.727 -11.661
  286   1HD2  LEU  39          HD21      LEU  39  -6.322  -1.484  -9.775
  287   2HD2  LEU  39          HD22      LEU  39  -5.659  -0.427 -11.042
  288   3HD2  LEU  39          HD23      LEU  39  -7.166  -1.298 -11.326
  289    H    GLU  40           H        GLU  40  -0.894  -3.003 -11.619
  290    HA   GLU  40           HA       GLU  40   0.369  -2.724  -9.070
  291   1HB   GLU  40          HB2       GLU  40   1.476  -3.506 -11.790
  292   2HB   GLU  40          HB3       GLU  40   2.439  -3.497 -10.309
  293   1HG   GLU  40          HG2       GLU  40   0.859  -5.080  -9.247
  294   2HG   GLU  40          HG3       GLU  40  -0.091  -5.145 -10.727
  295    H    GLU  41           H        GLU  41   0.776  -0.805 -12.085
  296    HA   GLU  41           HA       GLU  41   2.845   0.845 -10.964
  297   1HB   GLU  41          HB2       GLU  41   0.979   1.216 -13.332
  298   2HB   GLU  41          HB3       GLU  41   2.207   2.398 -12.851
  299   1HG   GLU  41          HG2       GLU  41   3.980   0.697 -13.063
  300   2HG   GLU  41          HG3       GLU  41   2.801  -0.492 -13.598
  301    H    LEU  42           H        LEU  42  -0.722   1.067 -11.006
  302    HA   LEU  42           HA       LEU  42  -0.885   3.667  -9.866
  303   1HB   LEU  42          HB2       LEU  42  -2.749   2.281 -11.006
  304   2HB   LEU  42          HB3       LEU  42  -2.865   1.393  -9.487
  305    HG   LEU  42           HG       LEU  42  -3.124   3.814  -8.419
  306   1HD1  LEU  42          HD11      LEU  42  -3.966   4.352 -11.295
  307   2HD1  LEU  42          HD12      LEU  42  -4.219   5.421  -9.896
  308   3HD1  LEU  42          HD13      LEU  42  -2.579   5.075 -10.455
  309   1HD2  LEU  42          HD21      LEU  42  -4.887   2.173  -8.321
  310   2HD2  LEU  42          HD22      LEU  42  -5.590   3.708  -8.839
  311   3HD2  LEU  42          HD23      LEU  42  -5.286   2.421 -10.028
  312    H    ASP  43           H        ASP  43  -0.705   0.380  -8.425
  313    HA   ASP  43           HA       ASP  43  -1.004   1.154  -5.706
  314   1HB   ASP  43          HB2       ASP  43  -1.230  -1.154  -6.394
  315   2HB   ASP  43          HB3       ASP  43   0.432  -1.199  -6.984
  316    H    GLN  44           H        GLN  44   1.919   0.777  -7.807
  317    HA   GLN  44           HA       GLN  44   3.801   1.570  -5.838
  318   1HB   GLN  44          HB2       GLN  44   3.759   1.655  -8.858
  319   2HB   GLN  44          HB3       GLN  44   5.157   2.240  -7.945
  320   1HG   GLN  44          HG2       GLN  44   5.564   0.099  -6.951
  321   2HG   GLN  44          HG3       GLN  44   4.011  -0.542  -7.481
  322   1HE2  GLN  44          HE22      GLN  44   3.671  -1.031  -9.710
  323   2HE2  GLN  44          HE21      GLN  44   5.028  -1.327 -10.796
  324    H    GLU  45           H        GLU  45   1.651   3.527  -7.864
  325    HA   GLU  45           HA       GLU  45   3.035   6.006  -7.279
  326   1HB   GLU  45          HB2       GLU  45   1.813   5.423  -9.412
  327   2HB   GLU  45          HB3       GLU  45   0.295   5.518  -8.526
  328   1HG   GLU  45          HG2       GLU  45   0.613   7.568  -9.717
  329   2HG   GLU  45          HG3       GLU  45   0.785   7.922  -8.004
  330    H    MET  46           H        MET  46  -0.014   4.468  -6.118
  331    HA   MET  46           HA       MET  46  -0.318   6.655  -4.091
  332   1HB   MET  46          HB2       MET  46  -2.453   5.450  -5.907
  333   2HB   MET  46          HB3       MET  46  -2.733   6.640  -4.630
  334   1HG   MET  46          HG2       MET  46  -1.190   8.208  -5.857
  335   2HG   MET  46          HG3       MET  46  -1.206   7.061  -7.204
  336   1HE   MET  46          HE1       MET  46  -2.250  10.343  -6.901
  337   2HE   MET  46          HE2       MET  46  -1.851   9.475  -8.399
  338   3HE   MET  46          HE3       MET  46  -3.446  10.241  -8.211
  339    H    GLY  47           H        GLY  47   0.211   3.416  -4.219
  340   1HA   GLY  47          HA2       GLY  47  -1.997   2.233  -2.948
  341   2HA   GLY  47          HA3       GLY  47  -0.406   1.541  -3.155
  342    H    ASP  48           H        ASP  48  -1.341   4.377  -1.247
  343    HA   ASP  48           HA       ASP  48  -1.167   2.958   1.265
  344   1HB   ASP  48          HB2       ASP  48   1.162   3.678   1.105
  345   2HB   ASP  48          HB3       ASP  48   0.663   5.323   0.693
  346    H    LYS  49           H        LYS  49  -1.553   6.142  -0.421
  347    HA   LYS  49           HA       LYS  49  -3.542   7.030   1.458
  348   1HB   LYS  49          HB2       LYS  49  -3.988   8.845  -0.141
  349   2HB   LYS  49          HB3       LYS  49  -2.323   8.699   0.400
  350   1HG   LYS  49          HG2       LYS  49  -1.778   7.551  -1.808
  351   2HG   LYS  49          HG3       LYS  49  -3.423   7.965  -2.344
  352   1HD   LYS  49          HD2       LYS  49  -2.910  10.377  -1.864
  353   2HD   LYS  49          HD3       LYS  49  -1.282   9.914  -1.350
  354   1HE   LYS  49          HE2       LYS  49  -0.819   9.012  -3.619
  355   2HE   LYS  49          HE3       LYS  49  -2.430   9.525  -4.148
  356   1HZ   LYS  49          HZ1       LYS  49  -0.710  11.153  -4.727
  357   2HZ   LYS  49          HZ2       LYS  49  -1.766  11.824  -3.680
  358   3HZ   LYS  49          HZ3       LYS  49  -0.292  11.341  -3.168
  359    H    LEU  50           H        LEU  50  -3.636   4.902  -1.318
  360    HA   LEU  50           HA       LEU  50  -6.341   4.263  -0.517
  361   1HB   LEU  50          HB2       LEU  50  -7.361   4.568  -2.446
  362   2HB   LEU  50          HB3       LEU  50  -6.043   5.634  -2.882
  363    HG   LEU  50           HG       LEU  50  -6.081   2.665  -3.666
  364   1HD1  LEU  50          HD11      LEU  50  -8.097   3.589  -4.536
  365   2HD1  LEU  50          HD12      LEU  50  -7.254   5.029  -5.123
  366   3HD1  LEU  50          HD13      LEU  50  -6.923   3.445  -5.855
  367   1HD2  LEU  50          HD21      LEU  50  -3.891   3.756  -3.845
  368   2HD2  LEU  50          HD22      LEU  50  -4.556   3.414  -5.443
  369   3HD2  LEU  50          HD23      LEU  50  -4.614   5.072  -4.797
  370    H    LYS  51           H        LYS  51  -6.814   1.933  -1.154
  371    HA   LYS  51           HA       LYS  51  -4.365   0.409  -1.855
  372   1HB   LYS  51          HB2       LYS  51  -4.949  -1.332  -0.341
  373   2HB   LYS  51          HB3       LYS  51  -4.932   0.221   0.539
  374   1HG   LYS  51          HG2       LYS  51  -7.393   0.288   0.410
  375   2HG   LYS  51          HG3       LYS  51  -7.372  -1.324  -0.348
  376   1HD   LYS  51          HD2       LYS  51  -6.343  -2.299   1.642
  377   2HD   LYS  51          HD3       LYS  51  -6.234  -0.697   2.417
  378   1HE   LYS  51          HE2       LYS  51  -8.650  -0.447   2.394
  379   2HE   LYS  51          HE3       LYS  51  -8.833  -1.926   1.428
  380   1HZ   LYS  51          HZ1       LYS  51  -7.865  -1.908   4.246
  381   2HZ   LYS  51          HZ2       LYS  51  -9.362  -2.240   3.709
  382   3HZ   LYS  51          HZ3       LYS  51  -8.157  -3.242   3.295
  383    H    ILE  52           H        ILE  52  -4.917  -1.691  -2.928
  384    HA   ILE  52           HA       ILE  52  -7.319  -1.335  -4.651
  385    HB   ILE  52           HB       ILE  52  -4.657  -2.639  -5.332
  386   1HG1  ILE  52          HG12      ILE  52  -5.779   0.096  -6.064
  387   2HG1  ILE  52          HG13      ILE  52  -4.294  -0.266  -5.183
  388   1HG2  ILE  52          HG21      ILE  52  -5.508  -2.867  -7.619
  389   2HG2  ILE  52          HG22      ILE  52  -6.572  -3.690  -6.506
  390   3HG2  ILE  52          HG23      ILE  52  -7.046  -2.100  -7.146
  391   1HD1  ILE  52          HD11      ILE  52  -3.614   0.397  -7.318
  392   2HD1  ILE  52          HD12      ILE  52  -3.417  -1.368  -7.292
  393   3HD1  ILE  52          HD13      ILE  52  -4.804  -0.630  -8.134
  394    H    VAL  53           H        VAL  53  -8.694  -3.153  -4.735
  395    HA   VAL  53           HA       VAL  53  -7.797  -5.573  -3.228
  396    HB   VAL  53           HB       VAL  53 -10.540  -4.243  -3.109
  397   1HG1  VAL  53          HG11      VAL  53  -9.579  -6.795  -1.755
  398   2HG1  VAL  53          HG12      VAL  53 -11.134  -5.979  -1.468
  399   3HG1  VAL  53          HG13      VAL  53 -10.795  -6.685  -3.049
  400   1HG2  VAL  53          HG21      VAL  53 -10.146  -3.866  -0.763
  401   2HG2  VAL  53          HG22      VAL  53  -8.595  -4.715  -0.813
  402   3HG2  VAL  53          HG23      VAL  53  -8.780  -3.161  -1.645
  403    H    LYS  54           H        LYS  54  -7.582  -7.103  -4.773
  404    HA   LYS  54           HA       LYS  54  -9.228  -7.105  -7.216
  405   1HB   LYS  54          HB2       LYS  54  -7.550  -9.405  -6.167
  406   2HB   LYS  54          HB3       LYS  54  -7.998  -9.062  -7.827
  407   1HG   LYS  54          HG2       LYS  54  -6.007  -7.520  -6.128
  408   2HG   LYS  54          HG3       LYS  54  -5.600  -8.656  -7.386
  409   1HD   LYS  54          HD2       LYS  54  -7.318  -6.307  -8.209
  410   2HD   LYS  54          HD3       LYS  54  -5.673  -5.972  -7.719
  411   1HE   LYS  54          HE2       LYS  54  -5.536  -6.241 -10.015
  412   2HE   LYS  54          HE3       LYS  54  -4.856  -7.727  -9.335
  413   1HZ   LYS  54          HZ1       LYS  54  -7.035  -8.793  -9.811
  414   2HZ   LYS  54          HZ2       LYS  54  -7.562  -7.386 -10.503
  415   3HZ   LYS  54          HZ3       LYS  54  -6.328  -8.221 -11.169
  416    H    ILE  55           H        ILE  55 -11.053  -8.434  -7.555
  417    HA   ILE  55           HA       ILE  55 -11.627 -10.559  -5.609
  418    HB   ILE  55           HB       ILE  55 -12.687  -8.728  -4.562
  419   1HG1  ILE  55          HG12      ILE  55 -14.881 -10.268  -5.992
  420   2HG1  ILE  55          HG13      ILE  55 -13.836 -10.952  -4.739
  421   1HG2  ILE  55          HG21      ILE  55 -14.189  -8.075  -7.115
  422   2HG2  ILE  55          HG22      ILE  55 -14.384  -7.274  -5.553
  423   3HG2  ILE  55          HG23      ILE  55 -12.869  -7.109  -6.425
  424   1HD1  ILE  55          HD11      ILE  55 -15.945 -10.259  -3.747
  425   2HD1  ILE  55          HD12      ILE  55 -14.624  -9.270  -3.116
  426   3HD1  ILE  55          HD13      ILE  55 -15.735  -8.607  -4.343
  427    H    ASP  56           H        ASP  56 -12.004 -12.340  -6.750
  428    HA   ASP  56           HA       ASP  56 -12.355 -12.186  -9.650
  429   1HB   ASP  56          HB2       ASP  56 -10.795 -13.776  -8.655
  430   2HB   ASP  56          HB3       ASP  56 -12.103 -14.535  -7.744
  431    H    VAL  57           H        VAL  57 -14.379 -12.061 -10.556
  432    HA   VAL  57           HA       VAL  57 -16.744 -12.275  -8.966
  433    HB   VAL  57           HB       VAL  57 -17.986 -11.990 -11.030
  434   1HG1  VAL  57          HG11      VAL  57 -15.526 -10.193 -11.014
  435   2HG1  VAL  57          HG12      VAL  57 -17.139  -9.812 -11.659
  436   3HG1  VAL  57          HG13      VAL  57 -16.916 -10.049  -9.921
  437   1HG2  VAL  57          HG21      VAL  57 -15.345 -12.267 -12.526
  438   2HG2  VAL  57          HG22      VAL  57 -16.710 -13.395 -12.603
  439   3HG2  VAL  57          HG23      VAL  57 -16.895 -11.756 -13.223
  440    H    ASP  58           H        ASP  58 -14.912 -14.730 -10.692
  441    HA   ASP  58           HA       ASP  58 -17.125 -16.591 -10.971
  442   1HB   ASP  58          HB2       ASP  58 -15.117 -16.540 -12.460
  443   2HB   ASP  58          HB3       ASP  58 -14.133 -17.096 -11.100
  444    H    GLU  59           H        GLU  59 -15.628 -15.467  -8.247
  445    HA   GLU  59           HA       GLU  59 -16.532 -17.858  -6.720
  446   1HB   GLU  59          HB2       GLU  59 -14.040 -16.189  -6.150
  447   2HB   GLU  59          HB3       GLU  59 -14.730 -17.394  -5.057
  448   1HG   GLU  59          HG2       GLU  59 -14.416 -19.131  -6.857
  449   2HG   GLU  59          HG3       GLU  59 -13.532 -17.927  -7.802
  450    H    ASN  60           H        ASN  60 -17.237 -14.733  -7.495
  451    HA   ASN  60           HA       ASN  60 -18.289 -14.025  -4.808
  452   1HB   ASN  60          HB2       ASN  60 -16.411 -12.258  -6.428
  453   2HB   ASN  60          HB3       ASN  60 -17.364 -11.732  -5.043
  454   1HD2  ASN  60          HD22      ASN  60 -14.528 -13.512  -6.014
  455   2HD2  ASN  60          HD21      ASN  60 -13.973 -13.904  -4.392
  456    H    GLN  61           H        GLN  61 -19.779 -15.032  -6.626
  457    HA   GLN  61           HA       GLN  61 -20.968 -13.461  -8.647
  458   1HB   GLN  61          HB2       GLN  61 -22.394 -15.493  -6.857
  459   2HB   GLN  61          HB3       GLN  61 -22.823 -14.995  -8.472
  460   1HG   GLN  61          HG2       GLN  61 -21.948 -17.176  -8.616
  461   2HG   GLN  61          HG3       GLN  61 -20.772 -16.094  -9.354
  462   1HE2  GLN  61          HE22      GLN  61 -20.906 -16.479  -5.685
  463   2HE2  GLN  61          HE21      GLN  61 -19.433 -17.399  -5.647
  464    H    GLU  62           H        GLU  62 -21.652 -13.905  -5.190
  465    HA   GLU  62           HA       GLU  62 -23.953 -12.332  -4.954
  466   1HB   GLU  62          HB2       GLU  62 -21.778 -13.013  -2.904
  467   2HB   GLU  62          HB3       GLU  62 -23.374 -12.358  -2.529
  468   1HG   GLU  62          HG2       GLU  62 -23.874 -14.525  -2.178
  469   2HG   GLU  62          HG3       GLU  62 -24.207 -14.510  -3.903
  470    H    THR  63           H        THR  63 -20.477 -11.440  -4.364
  471    HA   THR  63           HA       THR  63 -21.145  -8.823  -3.520
  472    HB   THR  63           HB       THR  63 -18.513  -9.423  -4.777
  473    HG1  THR  63           HG1      THR  63 -19.457 -10.427  -2.308
  474   1HG2  THR  63          HG21      THR  63 -17.626  -8.221  -2.792
  475   2HG2  THR  63          HG22      THR  63 -18.760  -7.234  -3.726
  476   3HG2  THR  63          HG23      THR  63 -19.284  -7.989  -2.206
  477    H    ALA  64           H        ALA  64 -20.120 -10.098  -6.758
  478    HA   ALA  64           HA       ALA  64 -20.110  -7.526  -7.990
  479   1HB   ALA  64          HB1       ALA  64 -20.160  -8.799 -10.085
  480   2HB   ALA  64          HB2       ALA  64 -19.126  -9.654  -8.936
  481   3HB   ALA  64          HB3       ALA  64 -20.775 -10.241  -9.244
  482    H    GLY  65           H        GLY  65 -22.715 -10.003  -7.675
  483   1HA   GLY  65          HA2       GLY  65 -24.821  -8.618  -8.910
  484   2HA   GLY  65          HA3       GLY  65 -24.970  -9.824  -7.618
  485    H    LYS  66           H        LYS  66 -23.378  -8.117  -5.709
  486    HA   LYS  66           HA       LYS  66 -25.429  -6.731  -4.404
  487   1HB   LYS  66          HB2       LYS  66 -23.028  -7.594  -3.669
  488   2HB   LYS  66          HB3       LYS  66 -22.515  -5.966  -4.069
  489   1HG   LYS  66          HG2       LYS  66 -24.127  -5.027  -2.454
  490   2HG   LYS  66          HG3       LYS  66 -24.725  -6.650  -2.080
  491   1HD   LYS  66          HD2       LYS  66 -21.876  -5.665  -1.628
  492   2HD   LYS  66          HD3       LYS  66 -23.127  -5.785  -0.381
  493   1HE   LYS  66          HE2       LYS  66 -23.288  -8.264  -0.818
  494   2HE   LYS  66          HE3       LYS  66 -21.972  -8.119  -1.978
  495   1HZ   LYS  66          HZ1       LYS  66 -21.033  -8.857  -0.058
  496   2HZ   LYS  66          HZ2       LYS  66 -20.599  -7.274  -0.084
  497   3HZ   LYS  66          HZ3       LYS  66 -21.793  -7.770   0.926
  498    H    TYR  67           H        TYR  67 -23.413  -5.657  -7.074
  499    HA   TYR  67           HA       TYR  67 -24.695  -2.968  -6.932
  500   1HB   TYR  67          HB2       TYR  67 -22.033  -3.371  -8.241
  501   2HB   TYR  67          HB3       TYR  67 -22.705  -1.919  -7.519
  502    HD1  TYR  67           HD1      TYR  67 -20.698  -4.905  -7.081
  503    HD2  TYR  67           HD2      TYR  67 -22.732  -1.784  -4.902
  504    HE1  TYR  67           HE1      TYR  67 -19.485  -5.548  -5.080
  505    HE2  TYR  67           HE2      TYR  67 -21.453  -2.381  -2.864
  506    HH   TYR  67           HH       TYR  67 -19.108  -5.092  -2.787
  507    H    GLY  68           H        GLY  68 -25.231  -5.710  -8.388
  508   1HA   GLY  68          HA2       GLY  68 -26.127  -6.363 -10.351
  509   2HA   GLY  68          HA3       GLY  68 -26.226  -4.662 -10.838
  510    H    VAL  69           H        VAL  69 -23.075  -6.026 -10.032
  511    HA   VAL  69           HA       VAL  69 -22.147  -5.693 -12.821
  512    HB   VAL  69           HB       VAL  69 -20.712  -6.327 -10.197
  513   1HG1  VAL  69          HG11      VAL  69 -19.514  -5.757 -12.943
  514   2HG1  VAL  69          HG12      VAL  69 -18.614  -5.884 -11.418
  515   3HG1  VAL  69          HG13      VAL  69 -19.432  -7.301 -12.063
  516   1HG2  VAL  69          HG21      VAL  69 -19.813  -4.044 -10.399
  517   2HG2  VAL  69          HG22      VAL  69 -20.755  -3.786 -11.886
  518   3HG2  VAL  69          HG23      VAL  69 -21.576  -3.998 -10.337
  519    H    MET  70           H        MET  70 -21.770  -7.407 -14.138
  520    HA   MET  70           HA       MET  70 -21.072  -9.992 -13.072
  521   1HB   MET  70          HB2       MET  70 -23.819  -9.543 -13.959
  522   2HB   MET  70          HB3       MET  70 -23.055 -10.704 -15.027
  523   1HG   MET  70          HG2       MET  70 -23.188 -10.897 -11.994
  524   2HG   MET  70          HG3       MET  70 -24.164 -11.791 -13.147
  525   1HE   MET  70          HE1       MET  70 -20.330 -13.202 -11.299
  526   2HE   MET  70          HE2       MET  70 -20.588 -11.453 -11.454
  527   3HE   MET  70          HE3       MET  70 -21.795 -12.456 -10.620
  528    H    SER  71           H        SER  71 -19.861  -7.775 -14.538
  529    HA   SER  71           HA       SER  71 -18.798  -9.184 -16.854
  530   1HB   SER  71          HB2       SER  71 -19.767  -6.289 -16.948
  531   2HB   SER  71          HB3       SER  71 -18.986  -7.181 -18.264
  532    HG   SER  71           HG       SER  71 -21.269  -7.097 -18.487
  533    H    ILE  72           H        ILE  72 -16.643  -8.264 -17.399
  534    HA   ILE  72           HA       ILE  72 -15.370  -6.719 -15.256
  535    HB   ILE  72           HB       ILE  72 -13.702  -8.423 -14.894
  536   1HG1  ILE  72          HG12      ILE  72 -13.753  -9.658 -17.008
  537   2HG1  ILE  72          HG13      ILE  72 -13.692 -10.639 -15.569
  538   1HG2  ILE  72          HG21      ILE  72 -14.926  -9.932 -13.470
  539   2HG2  ILE  72          HG22      ILE  72 -15.601  -8.298 -13.370
  540   3HG2  ILE  72          HG23      ILE  72 -16.447  -9.549 -14.291
  541   1HD1  ILE  72          HD11      ILE  72 -16.099 -11.214 -15.830
  542   2HD1  ILE  72          HD12      ILE  72 -16.137 -10.261 -17.338
  543   3HD1  ILE  72          HD13      ILE  72 -15.106 -11.688 -17.213
  544    HA   PRO  73           HA       PRO  73 -12.872  -6.498 -14.828
  545   1HB   PRO  73          HB2       PRO  73 -11.299  -4.277 -15.255
  546   2HB   PRO  73          HB3       PRO  73 -10.741  -5.958 -15.441
  547   1HG   PRO  73          HG2       PRO  73 -11.581  -4.014 -17.575
  548   2HG   PRO  73          HG3       PRO  73 -10.277  -5.247 -17.623
  549   1HD   PRO  73          HD2       PRO  73 -12.757  -5.586 -18.797
  550   2HD   PRO  73          HD3       PRO  73 -11.760  -6.935 -18.180
  551    H    THR  74           H        THR  74 -13.879  -5.235 -13.319
  552    HA   THR  74           HA       THR  74 -15.202  -2.725 -14.191
  553    HB   THR  74           HB       THR  74 -16.470  -5.004 -12.629
  554    HG1  THR  74           HG1      THR  74 -17.335  -5.399 -14.463
  555   1HG2  THR  74          HG21      THR  74 -17.157  -2.991 -11.515
  556   2HG2  THR  74          HG22      THR  74 -17.365  -2.116 -13.040
  557   3HG2  THR  74          HG23      THR  74 -18.479  -3.429 -12.606
  558    H    LEU  75           H        LEU  75 -14.538  -1.137 -12.983
  559    HA   LEU  75           HA       LEU  75 -12.988  -1.699 -10.501
  560   1HB   LEU  75          HB2       LEU  75 -13.099   0.739 -12.331
  561   2HB   LEU  75          HB3       LEU  75 -12.190   0.644 -10.832
  562    HG   LEU  75           HG       LEU  75 -11.693  -1.039 -13.330
  563   1HD1  LEU  75          HD11      LEU  75 -10.095   1.236 -12.089
  564   2HD1  LEU  75          HD12      LEU  75  -9.629   0.297 -13.518
  565   3HD1  LEU  75          HD13      LEU  75 -11.063   1.332 -13.577
  566   1HD2  LEU  75          HD21      LEU  75  -9.599  -1.756 -12.190
  567   2HD2  LEU  75          HD22      LEU  75 -10.157  -0.968 -10.694
  568   3HD2  LEU  75          HD23      LEU  75 -11.046  -2.343 -11.383
  569    H    LEU  76           H        LEU  76 -13.819  -0.925  -8.611
  570    HA   LEU  76           HA       LEU  76 -16.100   1.001  -8.721
  571   1HB   LEU  76          HB2       LEU  76 -15.840  -1.513  -7.062
  572   2HB   LEU  76          HB3       LEU  76 -16.476  -0.052  -6.315
  573    HG   LEU  76           HG       LEU  76 -18.216   0.105  -8.067
  574   1HD1  LEU  76          HD11      LEU  76 -17.306  -2.713  -8.808
  575   2HD1  LEU  76          HD12      LEU  76 -18.782  -1.909  -9.382
  576   3HD1  LEU  76          HD13      LEU  76 -17.200  -1.279  -9.845
  577   1HD2  LEU  76          HD21      LEU  76 -19.639  -1.617  -7.084
  578   2HD2  LEU  76          HD22      LEU  76 -18.222  -2.483  -6.459
  579   3HD2  LEU  76          HD23      LEU  76 -18.636  -0.877  -5.835
  580    H    VAL  77           H        VAL  77 -15.563   2.837  -7.603
  581    HA   VAL  77           HA       VAL  77 -13.088   2.748  -5.923
  582    HB   VAL  77           HB       VAL  77 -14.572   5.241  -6.815
  583   1HG1  VAL  77          HG11      VAL  77 -11.771   4.793  -5.680
  584   2HG1  VAL  77          HG12      VAL  77 -12.480   6.359  -6.124
  585   3HG1  VAL  77          HG13      VAL  77 -13.159   5.434  -4.781
  586   1HG2  VAL  77          HG21      VAL  77 -12.731   5.625  -8.441
  587   2HG2  VAL  77          HG22      VAL  77 -12.088   4.006  -8.092
  588   3HG2  VAL  77          HG23      VAL  77 -13.672   4.197  -8.871
  589    H    LEU  78           H        LEU  78 -13.527   2.575  -3.819
  590    HA   LEU  78           HA       LEU  78 -16.196   3.405  -2.772
  591   1HB   LEU  78          HB2       LEU  78 -14.456   1.125  -1.727
  592   2HB   LEU  78          HB3       LEU  78 -15.942   1.725  -1.018
  593    HG   LEU  78           HG       LEU  78 -16.902   1.117  -3.493
  594   1HD1  LEU  78          HD11      LEU  78 -14.686  -0.917  -2.988
  595   2HD1  LEU  78          HD12      LEU  78 -15.964  -1.054  -4.210
  596   3HD1  LEU  78          HD13      LEU  78 -14.752   0.230  -4.329
  597   1HD2  LEU  78          HD21      LEU  78 -17.741  -0.988  -2.535
  598   2HD2  LEU  78          HD22      LEU  78 -16.564  -0.875  -1.217
  599   3HD2  LEU  78          HD23      LEU  78 -17.851   0.335  -1.367
  600    H    LYS  79           H        LYS  79 -16.068   4.235  -0.561
  601    HA   LYS  79           HA       LYS  79 -13.380   4.906   0.427
  602   1HB   LYS  79          HB2       LYS  79 -14.126   6.803  -1.041
  603   2HB   LYS  79          HB3       LYS  79 -15.520   7.044   0.024
  604   1HG   LYS  79          HG2       LYS  79 -14.023   7.564   1.915
  605   2HG   LYS  79          HG3       LYS  79 -12.609   7.139   0.937
  606   1HD   LYS  79          HD2       LYS  79 -13.355   8.979  -0.698
  607   2HD   LYS  79          HD3       LYS  79 -14.501   9.500   0.548
  608   1HE   LYS  79          HE2       LYS  79 -12.638   9.931   2.113
  609   2HE   LYS  79          HE3       LYS  79 -11.490   9.220   0.969
  610   1HZ   LYS  79          HZ1       LYS  79 -12.929  11.773   0.652
  611   2HZ   LYS  79          HZ2       LYS  79 -11.295  11.505   0.623
  612   3HZ   LYS  79          HZ3       LYS  79 -12.194  11.005  -0.609
  613    H    ASP  80           H        ASP  80 -13.374   4.309   2.507
  614    HA   ASP  80           HA       ASP  80 -14.056   3.620   4.518
  615   1HB   ASP  80          HB2       ASP  80 -13.886   6.073   4.697
  616   2HB   ASP  80          HB3       ASP  80 -15.619   6.218   4.395
  617    H    GLY  81           H        GLY  81 -15.570   2.301   2.556
  618   1HA   GLY  81          HA2       GLY  81 -16.934   0.521   3.084
  619   2HA   GLY  81          HA3       GLY  81 -17.827   1.477   4.262
  620    H    GLU  82           H        GLU  82 -17.772   3.444   1.492
  621    HA   GLU  82           HA       GLU  82 -20.161   2.098   0.337
  622   1HB   GLU  82          HB2       GLU  82 -21.352   4.112   0.346
  623   2HB   GLU  82          HB3       GLU  82 -20.645   3.940   1.960
  624   1HG   GLU  82          HG2       GLU  82 -18.879   5.574   1.363
  625   2HG   GLU  82          HG3       GLU  82 -19.597   5.771  -0.239
  626    H    VAL  83           H        VAL  83 -20.515   2.435  -1.885
  627    HA   VAL  83           HA       VAL  83 -18.161   2.824  -3.527
  628    HB   VAL  83           HB       VAL  83 -21.075   2.687  -4.379
  629   1HG1  VAL  83          HG11      VAL  83 -18.474   1.997  -5.826
  630   2HG1  VAL  83          HG12      VAL  83 -20.109   1.741  -6.473
  631   3HG1  VAL  83          HG13      VAL  83 -19.537   3.379  -6.167
  632   1HG2  VAL  83          HG21      VAL  83 -19.166   0.366  -3.905
  633   2HG2  VAL  83          HG22      VAL  83 -20.675   0.680  -3.025
  634   3HG2  VAL  83          HG23      VAL  83 -20.731   0.250  -4.730
  635    H    VAL  84           H        VAL  84 -17.531   4.576  -4.566
  636    HA   VAL  84           HA       VAL  84 -19.233   7.008  -4.519
  637    HB   VAL  84           HB       VAL  84 -17.254   8.386  -4.376
  638   1HG1  VAL  84          HG11      VAL  84 -18.406   7.682  -2.283
  639   2HG1  VAL  84          HG12      VAL  84 -17.246   6.348  -2.103
  640   3HG1  VAL  84          HG13      VAL  84 -16.687   8.031  -2.044
  641   1HG2  VAL  84          HG21      VAL  84 -15.574   6.874  -5.413
  642   2HG2  VAL  84          HG22      VAL  84 -15.034   7.533  -3.865
  643   3HG2  VAL  84          HG23      VAL  84 -15.606   5.860  -3.946
  644    H    GLU  85           H        GLU  85 -17.380   4.702  -6.470
  645    HA   GLU  85           HA       GLU  85 -18.644   5.957  -8.775
  646   1HB   GLU  85          HB2       GLU  85 -16.521   7.268  -8.497
  647   2HB   GLU  85          HB3       GLU  85 -15.601   5.781  -8.682
  648   1HG   GLU  85          HG2       GLU  85 -15.605   7.149 -10.685
  649   2HG   GLU  85          HG3       GLU  85 -16.290   5.571 -10.991
  650    H    THR  86           H        THR  86 -18.360   4.642 -10.773
  651    HA   THR  86           HA       THR  86 -17.277   1.925 -10.455
  652    HB   THR  86           HB       THR  86 -20.155   2.545 -11.250
  653    HG1  THR  86           HG1      THR  86 -19.131   2.220  -8.924
  654   1HG2  THR  86          HG21      THR  86 -19.433   0.684 -12.608
  655   2HG2  THR  86          HG22      THR  86 -18.647  -0.100 -11.227
  656   3HG2  THR  86          HG23      THR  86 -20.420   0.034 -11.292
  657    H    SER  87           H        SER  87 -16.370   1.243 -12.372
  658    HA   SER  87           HA       SER  87 -16.918   2.625 -14.932
  659   1HB   SER  87          HB2       SER  87 -14.145   2.297 -13.692
  660   2HB   SER  87          HB3       SER  87 -14.511   2.991 -15.279
  661    HG   SER  87           HG       SER  87 -14.142   4.557 -13.600
  662    H    VAL  88           H        VAL  88 -16.168   1.278 -16.768
  663    HA   VAL  88           HA       VAL  88 -15.556  -1.548 -16.058
  664    HB   VAL  88           HB       VAL  88 -17.681  -0.627 -18.038
  665   1HG1  VAL  88          HG11      VAL  88 -16.680  -2.766 -18.709
  666   2HG1  VAL  88          HG12      VAL  88 -16.910  -3.417 -17.070
  667   3HG1  VAL  88          HG13      VAL  88 -18.309  -3.038 -18.097
  668   1HG2  VAL  88          HG21      VAL  88 -18.040  -1.890 -15.289
  669   2HG2  VAL  88          HG22      VAL  88 -18.536  -0.250 -15.767
  670   3HG2  VAL  88          HG23      VAL  88 -19.332  -1.649 -16.481
  671    H    GLY  89           H        GLY  89 -14.240  -2.587 -17.520
  672   1HA   GLY  89          HA2       GLY  89 -13.104  -2.949 -19.525
  673   2HA   GLY  89          HA3       GLY  89 -13.517  -1.331 -20.096
  674    H    PHE  90           H        PHE  90 -11.051  -1.933 -20.582
  675    HA   PHE  90           HA       PHE  90  -9.073  -1.498 -18.560
  676   1HB   PHE  90          HB2       PHE  90  -8.595  -2.596 -20.696
  677   2HB   PHE  90          HB3       PHE  90  -9.050  -1.148 -21.584
  678    HD1  PHE  90           HD1      PHE  90  -7.550   0.787 -21.742
  679    HD2  PHE  90           HD2      PHE  90  -6.444  -2.711 -19.467
  680    HE1  PHE  90           HE1      PHE  90  -5.215   1.613 -21.605
  681    HE2  PHE  90           HE2      PHE  90  -4.105  -1.881 -19.351
  682    HZ   PHE  90           HZ       PHE  90  -3.489   0.280 -20.405
  683    H    LYS  91           H        LYS  91  -7.868   0.395 -18.084
  684    HA   LYS  91           HA       LYS  91  -8.523   2.904 -19.400
  685   1HB   LYS  91          HB2       LYS  91  -9.022   2.406 -16.448
  686   2HB   LYS  91          HB3       LYS  91  -8.300   3.945 -16.930
  687   1HG   LYS  91          HG2       LYS  91 -10.131   4.361 -18.515
  688   2HG   LYS  91          HG3       LYS  91 -10.929   2.857 -17.993
  689   1HD   LYS  91          HD2       LYS  91 -11.019   3.746 -15.660
  690   2HD   LYS  91          HD3       LYS  91 -10.322   5.272 -16.214
  691   1HE   LYS  91          HE2       LYS  91 -12.957   4.061 -17.186
  692   2HE   LYS  91          HE3       LYS  91 -12.818   5.310 -15.946
  693   1HZ   LYS  91          HZ1       LYS  91 -11.856   6.784 -17.619
  694   2HZ   LYS  91          HZ2       LYS  91 -12.007   5.635 -18.778
  695   3HZ   LYS  91          HZ3       LYS  91 -13.329   6.274 -18.081
  696    HA   PRO  92           HA       PRO  92  -4.075   2.997 -18.833
  697   1HB   PRO  92          HB2       PRO  92  -3.508   5.586 -19.459
  698   2HB   PRO  92          HB3       PRO  92  -4.103   4.419 -20.684
  699   1HG   PRO  92          HG2       PRO  92  -5.713   6.471 -19.147
  700   2HG   PRO  92          HG3       PRO  92  -5.706   6.168 -20.913
  701   1HD   PRO  92          HD2       PRO  92  -7.577   5.068 -19.238
  702   2HD   PRO  92          HD3       PRO  92  -6.968   4.198 -20.678
  703    H    LYS  93           H        LYS  93  -2.458   3.964 -17.370
  704    HA   LYS  93           HA       LYS  93  -3.354   4.267 -14.723
  705   1HB   LYS  93          HB2       LYS  93  -1.018   3.640 -15.317
  706   2HB   LYS  93          HB3       LYS  93  -0.751   5.266 -15.959
  707   1HG   LYS  93          HG2       LYS  93  -1.214   6.184 -13.639
  708   2HG   LYS  93          HG3       LYS  93  -1.296   4.520 -13.037
  709   1HD   LYS  93          HD2       LYS  93   1.026   4.146 -13.658
  710   2HD   LYS  93          HD3       LYS  93   1.089   5.669 -14.569
  711   1HE   LYS  93          HE2       LYS  93   0.659   6.948 -12.493
  712   2HE   LYS  93          HE3       LYS  93   0.671   5.444 -11.558
  713   1HZ   LYS  93          HZ1       LYS  93   2.975   6.457 -13.137
  714   2HZ   LYS  93          HZ2       LYS  93   2.823   6.628 -11.523
  715   3HZ   LYS  93          HZ3       LYS  93   2.986   5.131 -12.173
  716    H    GLU  94           H        GLU  94  -2.541   6.855 -17.119
  717    HA   GLU  94           HA       GLU  94  -2.585   8.885 -15.172
  718   1HB   GLU  94          HB2       GLU  94  -3.070   9.061 -18.181
  719   2HB   GLU  94          HB3       GLU  94  -2.799  10.457 -17.126
  720   1HG   GLU  94          HG2       GLU  94  -0.580   9.530 -16.476
  721   2HG   GLU  94          HG3       GLU  94  -0.824   8.178 -17.582
  722    H    ALA  95           H        ALA  95  -5.245   7.620 -17.157
  723    HA   ALA  95           HA       ALA  95  -7.184   9.549 -16.269
  724   1HB   ALA  95          HB1       ALA  95  -7.497   6.704 -17.326
  725   2HB   ALA  95          HB2       ALA  95  -8.798   7.906 -17.189
  726   3HB   ALA  95          HB3       ALA  95  -7.459   8.182 -18.327
  727    H    LEU  96           H        LEU  96  -6.225   6.243 -15.222
  728    HA   LEU  96           HA       LEU  96  -8.297   5.991 -13.310
  729   1HB   LEU  96          HB2       LEU  96  -7.081   4.115 -14.328
  730   2HB   LEU  96          HB3       LEU  96  -5.594   4.603 -13.511
  731    HG   LEU  96           HG       LEU  96  -6.529   4.069 -11.335
  732   1HD1  LEU  96          HD11      LEU  96  -8.768   2.990 -11.105
  733   2HD1  LEU  96          HD12      LEU  96  -8.882   4.680 -11.572
  734   3HD1  LEU  96          HD13      LEU  96  -9.124   3.414 -12.798
  735   1HD2  LEU  96          HD21      LEU  96  -5.514   2.250 -12.657
  736   2HD2  LEU  96          HD22      LEU  96  -6.835   1.622 -11.660
  737   3HD2  LEU  96          HD23      LEU  96  -7.088   1.880 -13.395
  738    H    GLN  97           H        GLN  97  -4.907   7.183 -13.002
  739    HA   GLN  97           HA       GLN  97  -5.137   7.508 -10.148
  740   1HB   GLN  97          HB2       GLN  97  -3.006   8.560 -10.193
  741   2HB   GLN  97          HB3       GLN  97  -2.969   7.213 -11.312
  742   1HG   GLN  97          HG2       GLN  97  -1.856   8.822 -12.521
  743   2HG   GLN  97          HG3       GLN  97  -3.503   8.946 -13.129
  744   1HE2  GLN  97          HE22      GLN  97  -3.975  10.982 -13.624
  745   2HE2  GLN  97          HE21      GLN  97  -3.484  12.397 -12.702
  746    H    GLU  98           H        GLU  98  -5.894   9.538 -12.993
  747    HA   GLU  98           HA       GLU  98  -6.233  11.958 -11.523
  748   1HB   GLU  98          HB2       GLU  98  -6.044  11.977 -13.947
  749   2HB   GLU  98          HB3       GLU  98  -7.518  11.016 -14.123
  750   1HG   GLU  98          HG2       GLU  98  -8.856  12.832 -13.161
  751   2HG   GLU  98          HG3       GLU  98  -7.397  13.774 -12.839
  752    H    LEU  99           H        LEU  99  -8.434   9.289 -12.462
  753    HA   LEU  99           HA       LEU  99 -10.755  10.344 -11.251
  754   1HB   LEU  99          HB2       LEU  99 -10.727   8.461 -12.875
  755   2HB   LEU  99          HB3       LEU  99  -9.977   7.424 -11.659
  756    HG   LEU  99           HG       LEU  99 -11.986   7.648 -10.211
  757   1HD1  LEU  99          HD11      LEU  99 -14.071   8.638 -11.206
  758   2HD1  LEU  99          HD12      LEU  99 -12.845   9.842 -10.866
  759   3HD1  LEU  99          HD13      LEU  99 -13.099   9.286 -12.540
  760   1HD2  LEU  99          HD21      LEU  99 -13.481   6.272 -11.588
  761   2HD2  LEU  99          HD22      LEU  99 -12.610   6.765 -13.059
  762   3HD2  LEU  99          HD23      LEU  99 -11.795   5.787 -11.817
  763    H    VAL 100           H        VAL 100  -8.232   8.159  -9.871
  764    HA   VAL 100           HA       VAL 100  -9.421   7.895  -7.309
  765    HB   VAL 100           HB       VAL 100  -6.563   7.736  -8.316
  766   1HG1  VAL 100          HG11      VAL 100  -7.501   7.309  -5.448
  767   2HG1  VAL 100          HG12      VAL 100  -5.943   6.743  -6.107
  768   3HG1  VAL 100          HG13      VAL 100  -6.282   8.466  -6.019
  769   1HG2  VAL 100          HG21      VAL 100  -8.150   5.910  -8.928
  770   2HG2  VAL 100          HG22      VAL 100  -6.881   5.338  -7.840
  771   3HG2  VAL 100          HG23      VAL 100  -8.511   5.654  -7.213
  772    H    ASN 101           H        ASN 101  -7.127  10.412  -8.556
  773    HA   ASN 101           HA       ASN 101  -7.004  11.723  -6.052
  774   1HB   ASN 101          HB2       ASN 101  -5.406  12.894  -6.975
  775   2HB   ASN 101          HB3       ASN 101  -5.660  12.001  -8.458
  776   1HD2  ASN 101          HD22      ASN 101  -7.170  12.981 -10.086
  777   2HD2  ASN 101          HD21      ASN 101  -7.137  14.728 -10.219
  778    H    LYS 102           H        LYS 102  -9.473  11.949  -8.548
  779    HA   LYS 102           HA       LYS 102 -10.750  14.302  -7.442
  780   1HB   LYS 102          HB2       LYS 102 -12.065  11.970  -8.908
  781   2HB   LYS 102          HB3       LYS 102 -12.802  13.519  -8.570
  782   1HG   LYS 102          HG2       LYS 102 -10.527  12.955 -10.485
  783   2HG   LYS 102          HG3       LYS 102 -12.147  13.466 -10.875
  784   1HD   LYS 102          HD2       LYS 102 -10.008  15.126  -9.476
  785   2HD   LYS 102          HD3       LYS 102 -10.529  15.301 -11.140
  786   1HE   LYS 102          HE2       LYS 102 -12.314  15.768  -8.702
  787   2HE   LYS 102          HE3       LYS 102 -11.454  17.031  -9.582
  788   1HZ   LYS 102          HZ1       LYS 102 -13.567  15.309 -10.746
  789   2HZ   LYS 102          HZ2       LYS 102 -13.726  16.873 -10.325
  790   3HZ   LYS 102          HZ3       LYS 102 -12.743  16.469 -11.556
  791    H    HIS 103           H        HIS 103 -10.590  10.984  -6.270
  792    HA   HIS 103           HA       HIS 103 -12.887  11.482  -4.443
  793   1HB   HIS 103          HB2       HIS 103 -11.541   8.911  -5.344
  794   2HB   HIS 103          HB3       HIS 103 -12.836   9.005  -4.154
  795    HD1  HIS 103           HD1      HIS 103 -15.159  10.428  -5.279
  796    HD2  HIS 103           HD2      HIS 103 -12.423   8.380  -7.737
  797    HE1  HIS 103           HE1      HIS 103 -16.357   9.988  -7.482
  798    H    LEU 104           H        LEU 104  -9.402  11.200  -4.385
  799    HA   LEU 104           HA       LEU 104  -8.975  10.368  -1.721
  800   1HB   LEU 104          HB2       LEU 104  -7.495  12.444  -3.375
  801   2HB   LEU 104          HB3       LEU 104  -6.961  11.890  -1.796
  802    HG   LEU 104           HG       LEU 104  -7.236  10.113  -4.252
  803   1HD1  LEU 104          HD11      LEU 104  -4.782  10.099  -4.237
  804   2HD1  LEU 104          HD12      LEU 104  -5.397  11.747  -4.427
  805   3HD1  LEU 104          HD13      LEU 104  -4.780  11.225  -2.853
  806   1HD2  LEU 104          HD21      LEU 104  -7.576   8.754  -2.261
  807   2HD2  LEU 104          HD22      LEU 104  -5.968   8.444  -2.902
  808   3HD2  LEU 104          HD23      LEU 104  -6.160   9.484  -1.472
  Start of MODEL    9
    1   1H    MET   1          H1        MET   1   1.047   0.155  -2.374
    2   2H    MET   1          H2        MET   1   2.305   1.219  -2.291
    3   3H    MET   1          H3        MET   1   2.359  -0.094  -3.298
    4    HA   MET   1           HA       MET   1   3.736  -0.377  -1.336
    5   1HB   MET   1          HB2       MET   1   2.189   0.898   0.166
    6   2HB   MET   1          HB3       MET   1   1.091  -0.476   0.182
    7   1HG   MET   1          HG2       MET   1   4.010  -0.524   1.062
    8   2HG   MET   1          HG3       MET   1   2.655  -0.270   2.147
    9   1HE   MET   1          HE1       MET   1   1.017  -2.072   3.016
   10   2HE   MET   1          HE2       MET   1   0.443  -2.411   1.366
   11   3HE   MET   1          HE3       MET   1   0.949  -3.744   2.421
   12    H    ALA   2           H        ALA   2   0.482  -2.041  -1.252
   13    HA   ALA   2           HA       ALA   2   1.389  -4.096  -3.019
   14   1HB   ALA   2          HB1       ALA   2   0.801  -4.851  -0.102
   15   2HB   ALA   2          HB2       ALA   2   0.994  -5.987  -1.449
   16   3HB   ALA   2          HB3       ALA   2   2.378  -5.018  -0.911
   17    H    ILE   3           H        ILE   3  -0.381  -5.113  -3.889
   18    HA   ILE   3           HA       ILE   3  -3.005  -3.927  -3.443
   19    HB   ILE   3           HB       ILE   3  -1.939  -6.125  -5.275
   20   1HG1  ILE   3          HG12      ILE   3  -2.692  -3.211  -5.815
   21   2HG1  ILE   3          HG13      ILE   3  -1.050  -3.807  -5.657
   22   1HG2  ILE   3          HG21      ILE   3  -4.318  -6.548  -4.964
   23   2HG2  ILE   3          HG22      ILE   3  -4.707  -4.840  -5.259
   24   3HG2  ILE   3          HG23      ILE   3  -4.075  -5.872  -6.559
   25   1HD1  ILE   3          HD11      ILE   3  -1.401  -5.287  -7.616
   26   2HD1  ILE   3          HD12      ILE   3  -2.971  -4.460  -7.887
   27   3HD1  ILE   3          HD13      ILE   3  -1.458  -3.544  -7.946
   28    H    VAL   4           H        VAL   4  -4.889  -5.252  -2.840
   29    HA   VAL   4           HA       VAL   4  -4.235  -7.403  -0.883
   30    HB   VAL   4           HB       VAL   4  -6.289  -5.157  -0.647
   31   1HG1  VAL   4          HG11      VAL   4  -5.424  -7.289   1.353
   32   2HG1  VAL   4          HG12      VAL   4  -6.389  -5.859   1.764
   33   3HG1  VAL   4          HG13      VAL   4  -7.054  -7.047   0.665
   34   1HG2  VAL   4          HG21      VAL   4  -4.816  -4.281   1.184
   35   2HG2  VAL   4          HG22      VAL   4  -3.577  -5.462   0.712
   36   3HG2  VAL   4          HG23      VAL   4  -4.070  -4.168  -0.403
   37    H    LYS   5           H        LYS   5  -6.465  -8.659  -0.447
   38    HA   LYS   5           HA       LYS   5  -8.020  -8.905  -2.960
   39   1HB   LYS   5          HB2       LYS   5  -6.857 -11.326  -1.518
   40   2HB   LYS   5          HB3       LYS   5  -7.797 -11.287  -3.009
   41   1HG   LYS   5          HG2       LYS   5  -5.788  -9.803  -3.910
   42   2HG   LYS   5          HG3       LYS   5  -4.919 -10.455  -2.518
   43   1HD   LYS   5          HD2       LYS   5  -4.373 -11.879  -4.330
   44   2HD   LYS   5          HD3       LYS   5  -5.581 -12.789  -3.396
   45   1HE   LYS   5          HE2       LYS   5  -7.360 -11.856  -4.950
   46   2HE   LYS   5          HE3       LYS   5  -6.090 -11.057  -5.865
   47   1HZ   LYS   5          HZ1       LYS   5  -5.165 -13.257  -6.390
   48   2HZ   LYS   5          HZ2       LYS   5  -6.316 -14.005  -5.507
   49   3HZ   LYS   5          HZ3       LYS   5  -6.725 -13.204  -6.861
   50    H    ALA   6           H        ALA   6 -10.109  -9.731  -2.615
   51    HA   ALA   6           HA       ALA   6 -10.874 -10.566   0.098
   52   1HB   ALA   6          HB1       ALA   6 -11.062  -8.061   0.161
   53   2HB   ALA   6          HB2       ALA   6 -12.205  -8.149  -1.198
   54   3HB   ALA   6          HB3       ALA   6 -12.616  -8.878   0.370
   55    H    THR   7           H        THR   7 -13.286 -11.080   0.172
   56    HA   THR   7           HA       THR   7 -14.512 -11.763  -2.392
   57    HB   THR   7           HB       THR   7 -15.184 -13.990  -1.479
   58    HG1  THR   7           HG1      THR   7 -14.895 -14.268   0.508
   59   1HG2  THR   7          HG21      THR   7 -13.144 -15.190  -1.867
   60   2HG2  THR   7          HG22      THR   7 -13.154 -13.794  -2.963
   61   3HG2  THR   7          HG23      THR   7 -12.149 -13.768  -1.499
   62    H    ASP   8           H        ASP   8 -16.970 -12.373  -1.762
   63    HA   ASP   8           HA       ASP   8 -18.251 -10.216  -0.648
   64   1HB   ASP   8          HB2       ASP   8 -19.395 -12.094  -1.860
   65   2HB   ASP   8          HB3       ASP   8 -19.199 -13.095  -0.438
   66    H    GLN   9           H        GLN   9 -16.930 -12.939   1.125
   67    HA   GLN   9           HA       GLN   9 -18.178 -12.629   3.628
   68   1HB   GLN   9          HB2       GLN   9 -15.458 -13.762   2.828
   69   2HB   GLN   9          HB3       GLN   9 -16.160 -13.918   4.436
   70   1HG   GLN   9          HG2       GLN   9 -16.624 -15.968   3.345
   71   2HG   GLN   9          HG3       GLN   9 -18.146 -15.094   3.449
   72   1HE2  GLN   9          HE22      GLN   9 -19.081 -16.320   1.658
   73   2HE2  GLN   9          HE21      GLN   9 -18.545 -16.060   0.017
   74    H    SER  10           H        SER  10 -15.385 -10.897   2.271
   75    HA   SER  10           HA       SER  10 -15.180  -9.309   4.800
   76   1HB   SER  10          HB2       SER  10 -12.812 -10.470   3.280
   77   2HB   SER  10          HB3       SER  10 -12.768  -9.597   4.818
   78    HG   SER  10           HG       SER  10 -13.852 -11.334   5.786
   79    H    PHE  11           H        PHE  11 -15.545  -9.105   1.469
   80    HA   PHE  11           HA       PHE  11 -13.917  -6.983   0.678
   81   1HB   PHE  11          HB2       PHE  11 -15.448  -8.339  -0.748
   82   2HB   PHE  11          HB3       PHE  11 -16.834  -7.537  -0.026
   83    HD1  PHE  11           HD1      PHE  11 -17.405  -5.204  -0.681
   84    HD2  PHE  11           HD2      PHE  11 -13.971  -7.232  -2.327
   85    HE1  PHE  11           HE1      PHE  11 -17.276  -3.530  -2.504
   86    HE2  PHE  11           HE2      PHE  11 -13.872  -5.590  -4.151
   87    HZ   PHE  11           HZ       PHE  11 -15.543  -3.729  -4.263
   88    H    SER  12           H        SER  12 -16.903  -6.894   2.660
   89    HA   SER  12           HA       SER  12 -17.293  -4.084   2.542
   90   1HB   SER  12          HB2       SER  12 -18.617  -4.676   4.720
   91   2HB   SER  12          HB3       SER  12 -19.149  -5.375   3.181
   92    HG   SER  12           HG       SER  12 -19.024  -6.945   4.849
   93    H    ALA  13           H        ALA  13 -15.710  -6.184   4.952
   94    HA   ALA  13           HA       ALA  13 -14.882  -4.127   6.705
   95   1HB   ALA  13          HB1       ALA  13 -14.838  -6.521   7.310
   96   2HB   ALA  13          HB2       ALA  13 -13.531  -6.807   6.135
   97   3HB   ALA  13          HB3       ALA  13 -13.248  -5.773   7.549
   98    H    GLU  14           H        GLU  14 -13.224  -5.590   3.861
   99    HA   GLU  14           HA       GLU  14 -10.832  -4.093   4.198
  100   1HB   GLU  14          HB2       GLU  14 -12.056  -5.521   1.805
  101   2HB   GLU  14          HB3       GLU  14 -10.503  -4.695   1.697
  102   1HG   GLU  14          HG2       GLU  14 -11.174  -6.915   3.659
  103   2HG   GLU  14          HG3       GLU  14 -10.272  -7.117   2.151
  104    H    THR  15           H        THR  15 -13.835  -3.342   2.371
  105    HA   THR  15           HA       THR  15 -12.627  -0.993   1.225
  106    HB   THR  15           HB       THR  15 -14.940  -0.611   0.324
  107    HG1  THR  15           HG1      THR  15 -15.398  -3.235   1.264
  108   1HG2  THR  15          HG21      THR  15 -13.445  -3.226  -0.221
  109   2HG2  THR  15          HG22      THR  15 -14.791  -2.625  -1.207
  110   3HG2  THR  15          HG23      THR  15 -13.308  -1.681  -1.069
  111    H    SER  16           H        SER  16 -13.376  -1.472   4.346
  112    HA   SER  16           HA       SER  16 -14.656   1.178   4.751
  113   1HB   SER  16          HB2       SER  16 -14.692  -1.297   6.515
  114   2HB   SER  16          HB3       SER  16 -15.485   0.248   6.873
  115    HG   SER  16           HG       SER  16 -16.075  -1.647   4.875
  116    H    GLU  17           H        GLU  17 -11.793   0.875   4.330
  117    HA   GLU  17           HA       GLU  17 -10.882   1.997   6.951
  118   1HB   GLU  17          HB2       GLU  17  -9.336   0.106   5.133
  119   2HB   GLU  17          HB3       GLU  17  -8.712   0.862   6.605
  120   1HG   GLU  17          HG2       GLU  17 -10.539  -0.290   7.905
  121   2HG   GLU  17          HG3       GLU  17 -10.939  -1.194   6.434
  122    H    GLY  18           H        GLY  18 -11.386   2.881   3.767
  123   1HA   GLY  18          HA2       GLY  18  -9.992   5.284   3.798
  124   2HA   GLY  18          HA3       GLY  18  -8.853   4.062   3.155
  125    H    VAL  19           H        VAL  19  -9.070   5.531   1.191
  126    HA   VAL  19           HA       VAL  19 -11.443   5.029  -0.487
  127    HB   VAL  19           HB       VAL  19  -8.674   6.150  -1.136
  128   1HG1  VAL  19          HG11      VAL  19 -11.174   5.973  -2.892
  129   2HG1  VAL  19          HG12      VAL  19  -9.681   6.846  -3.303
  130   3HG1  VAL  19          HG13      VAL  19  -9.659   5.087  -3.154
  131   1HG2  VAL  19          HG21      VAL  19 -11.396   7.504  -0.914
  132   2HG2  VAL  19          HG22      VAL  19 -10.065   7.668   0.263
  133   3HG2  VAL  19          HG23      VAL  19  -9.895   8.296  -1.380
  134    H    VAL  20           H        VAL  20 -11.627   3.189  -1.747
  135    HA   VAL  20           HA       VAL  20  -9.303   1.362  -1.903
  136    HB   VAL  20           HB       VAL  20 -12.095   0.508  -1.037
  137   1HG1  VAL  20          HG11      VAL  20 -10.940  -1.224  -2.315
  138   2HG1  VAL  20          HG12      VAL  20  -9.465  -0.994  -1.358
  139   3HG1  VAL  20          HG13      VAL  20 -10.928  -1.667  -0.605
  140   1HG2  VAL  20          HG21      VAL  20  -9.601   1.106   0.583
  141   2HG2  VAL  20          HG22      VAL  20 -11.296   1.510   0.909
  142   3HG2  VAL  20          HG23      VAL  20 -10.715  -0.139   1.121
  143    H    LEU  21           H        LEU  21  -8.976   0.826  -3.929
  144    HA   LEU  21           HA       LEU  21 -11.148   1.114  -5.942
  145   1HB   LEU  21          HB2       LEU  21  -9.047   2.281  -6.454
  146   2HB   LEU  21          HB3       LEU  21  -8.117   0.802  -6.165
  147    HG   LEU  21           HG       LEU  21  -9.299  -0.259  -8.134
  148   1HD1  LEU  21          HD11      LEU  21 -11.345   1.064  -8.258
  149   2HD1  LEU  21          HD12      LEU  21 -10.409   2.567  -8.459
  150   3HD1  LEU  21          HD13      LEU  21 -10.405   1.340  -9.732
  151   1HD2  LEU  21          HD21      LEU  21  -7.071   0.793  -8.321
  152   2HD2  LEU  21          HD22      LEU  21  -8.022   0.953  -9.803
  153   3HD2  LEU  21          HD23      LEU  21  -7.840   2.348  -8.713
  154    H    ALA  22           H        ALA  22 -12.309  -0.770  -5.779
  155    HA   ALA  22           HA       ALA  22 -10.935  -3.360  -5.493
  156   1HB   ALA  22          HB1       ALA  22 -13.251  -4.259  -5.795
  157   2HB   ALA  22          HB2       ALA  22 -13.052  -3.195  -4.375
  158   3HB   ALA  22          HB3       ALA  22 -13.841  -2.591  -5.847
  159    H    ASP  23           H        ASP  23 -11.042  -4.920  -7.162
  160    HA   ASP  23           HA       ASP  23 -11.667  -4.017  -9.933
  161   1HB   ASP  23          HB2       ASP  23  -9.298  -3.666  -9.735
  162   2HB   ASP  23          HB3       ASP  23  -9.073  -5.210  -8.913
  163    H    PHE  24           H        PHE  24 -13.378  -5.264 -10.233
  164    HA   PHE  24           HA       PHE  24 -13.499  -8.100  -9.489
  165   1HB   PHE  24          HB2       PHE  24 -15.354  -6.219 -10.982
  166   2HB   PHE  24          HB3       PHE  24 -15.591  -7.951 -10.955
  167    HD1  PHE  24           HD1      PHE  24 -15.643  -4.879  -8.881
  168    HD2  PHE  24           HD2      PHE  24 -16.257  -9.149  -8.926
  169    HE1  PHE  24           HE1      PHE  24 -16.729  -4.760  -6.646
  170    HE2  PHE  24           HE2      PHE  24 -17.359  -9.018  -6.715
  171    HZ   PHE  24           HZ       PHE  24 -17.572  -6.822  -5.559
  172    H    TRP  25           H        TRP  25 -12.327  -9.489 -10.690
  173    HA   TRP  25           HA       TRP  25 -11.920  -8.932 -13.586
  174   1HB   TRP  25          HB2       TRP  25  -9.621  -9.219 -13.466
  175   2HB   TRP  25          HB3       TRP  25  -9.992  -8.107 -12.171
  176    HD1  TRP  25           HD1      TRP  25 -10.158  -9.399  -9.657
  177    HE1  TRP  25           HE1      TRP  25  -8.729 -11.279  -8.683
  178    HE3  TRP  25           HE3      TRP  25  -7.966 -11.046 -13.980
  179    HZ2  TRP  25           HZ2      TRP  25  -6.786 -13.212  -9.655
  180    HZ3  TRP  25           HZ3      TRP  25  -6.260 -12.840 -13.907
  181    HH2  TRP  25           HH2      TRP  25  -5.691 -13.955 -11.766
  182    H    ALA  26           H        ALA  26 -10.761 -10.960 -14.595
  183    HA   ALA  26           HA       ALA  26 -11.128 -13.458 -13.214
  184   1HB   ALA  26          HB1       ALA  26 -12.646 -13.012 -15.831
  185   2HB   ALA  26          HB2       ALA  26 -12.537 -14.524 -14.900
  186   3HB   ALA  26          HB3       ALA  26 -13.410 -13.142 -14.226
  187    HA   PRO  27           HA       PRO  27  -7.446 -13.804 -15.479
  188   1HB   PRO  27          HB2       PRO  27  -6.902 -16.494 -15.560
  189   2HB   PRO  27          HB3       PRO  27  -6.924 -15.543 -14.045
  190   1HG   PRO  27          HG2       PRO  27  -9.150 -17.252 -15.200
  191   2HG   PRO  27          HG3       PRO  27  -8.518 -17.239 -13.521
  192   1HD   PRO  27          HD2       PRO  27 -10.752 -15.843 -14.246
  193   2HD   PRO  27          HD3       PRO  27  -9.598 -15.202 -13.032
  194    H    TRP  28           H        TRP  28 -10.208 -15.451 -16.953
  195    HA   TRP  28           HA       TRP  28  -8.803 -16.020 -19.440
  196   1HB   TRP  28          HB2       TRP  28 -11.189 -16.589 -20.167
  197   2HB   TRP  28          HB3       TRP  28 -10.433 -17.552 -18.921
  198    HD1  TRP  28           HD1      TRP  28 -12.400 -14.252 -18.330
  199    HE1  TRP  28           HE1      TRP  28 -14.395 -14.736 -16.832
  200    HE3  TRP  28           HE3      TRP  28 -11.817 -19.320 -17.830
  201    HZ2  TRP  28           HZ2      TRP  28 -15.540 -17.016 -15.455
  202    HZ3  TRP  28           HZ3      TRP  28 -13.360 -20.614 -16.384
  203    HH2  TRP  28           HH2      TRP  28 -15.221 -19.474 -15.190
  204    H    CYS  29           H        CYS  29  -9.807 -13.097 -18.117
  205    HA   CYS  29           HA       CYS  29 -10.926 -12.010 -20.632
  206   1HB   CYS  29          HB2       CYS  29 -12.113 -11.605 -18.496
  207   2HB   CYS  29          HB3       CYS  29 -10.654 -10.839 -17.842
  208    HG   CYS  29           HG       CYS  29 -12.527  -9.994 -20.452
  209    H    GLY  30           H        GLY  30  -9.342 -11.389 -22.051
  210   1HA   GLY  30          HA2       GLY  30  -6.664 -10.790 -21.586
  211   2HA   GLY  30          HA3       GLY  30  -7.625 -10.170 -22.936
  212    HA   PRO  31           HA       PRO  31  -7.801  -6.047 -21.237
  213   1HB   PRO  31          HB2       PRO  31 -10.631  -6.456 -20.260
  214   2HB   PRO  31          HB3       PRO  31  -9.923  -5.014 -21.054
  215   1HG   PRO  31          HG2       PRO  31 -11.363  -6.786 -22.502
  216   2HG   PRO  31          HG3       PRO  31  -9.810  -6.170 -23.158
  217   1HD   PRO  31          HD2       PRO  31 -10.376  -8.825 -21.842
  218   2HD   PRO  31          HD3       PRO  31  -9.339  -8.457 -23.248
  219    H    CYS  32           H        CYS  32  -9.087  -8.467 -18.852
  220    HA   CYS  32           HA       CYS  32  -8.320  -6.863 -16.554
  221   1HB   CYS  32          HB2       CYS  32  -8.637  -9.909 -16.820
  222   2HB   CYS  32          HB3       CYS  32  -8.388  -9.025 -15.319
  223    HG   CYS  32           HG       CYS  32 -10.887  -8.682 -17.473
  224    H    LYS  33           H        LYS  33  -6.608  -9.349 -18.578
  225    HA   LYS  33           HA       LYS  33  -4.238  -9.395 -16.941
  226   1HB   LYS  33          HB2       LYS  33  -4.440  -9.803 -19.959
  227   2HB   LYS  33          HB3       LYS  33  -3.062 -10.192 -18.939
  228   1HG   LYS  33          HG2       LYS  33  -4.444 -11.828 -17.675
  229   2HG   LYS  33          HG3       LYS  33  -5.818 -11.480 -18.741
  230   1HD   LYS  33          HD2       LYS  33  -4.472 -12.200 -20.709
  231   2HD   LYS  33          HD3       LYS  33  -3.112 -12.578 -19.628
  232   1HE   LYS  33          HE2       LYS  33  -4.562 -14.212 -18.416
  233   2HE   LYS  33          HE3       LYS  33  -5.884 -13.851 -19.529
  234   1HZ   LYS  33          HZ1       LYS  33  -4.505 -14.707 -21.339
  235   2HZ   LYS  33          HZ2       LYS  33  -3.282 -15.041 -20.305
  236   3HZ   LYS  33          HZ3       LYS  33  -4.695 -15.841 -20.185
  237    H    MET  34           H        MET  34  -5.380  -7.170 -19.491
  238    HA   MET  34           HA       MET  34  -2.938  -5.647 -19.557
  239   1HB   MET  34          HB2       MET  34  -5.753  -4.854 -20.410
  240   2HB   MET  34          HB3       MET  34  -4.271  -3.979 -20.801
  241   1HG   MET  34          HG2       MET  34  -4.844  -6.850 -21.589
  242   2HG   MET  34          HG3       MET  34  -5.094  -5.453 -22.634
  243   1HE   MET  34          HE1       MET  34  -3.697  -6.743 -24.498
  244   2HE   MET  34          HE2       MET  34  -2.053  -7.368 -24.243
  245   3HE   MET  34          HE3       MET  34  -3.423  -8.093 -23.373
  246    H    ILE  35           H        ILE  35  -6.006  -5.296 -17.653
  247    HA   ILE  35           HA       ILE  35  -5.136  -2.794 -16.578
  248    HB   ILE  35           HB       ILE  35  -7.548  -3.926 -16.692
  249   1HG1  ILE  35          HG12      ILE  35  -8.361  -2.351 -14.941
  250   2HG1  ILE  35          HG13      ILE  35  -6.685  -2.001 -14.492
  251   1HG2  ILE  35          HG21      ILE  35  -7.057  -5.721 -14.999
  252   2HG2  ILE  35          HG22      ILE  35  -6.874  -4.460 -13.777
  253   3HG2  ILE  35          HG23      ILE  35  -8.427  -4.694 -14.591
  254   1HD1  ILE  35          HD11      ILE  35  -7.832  -1.645 -17.278
  255   2HD1  ILE  35          HD12      ILE  35  -7.798  -0.348 -16.062
  256   3HD1  ILE  35          HD13      ILE  35  -6.279  -1.012 -16.690
  257    H    ALA  36           H        ALA  36  -4.278  -6.075 -15.769
  258    HA   ALA  36           HA       ALA  36  -3.672  -5.754 -13.062
  259   1HB   ALA  36          HB1       ALA  36  -2.243  -7.535 -15.073
  260   2HB   ALA  36          HB2       ALA  36  -2.157  -7.672 -13.308
  261   3HB   ALA  36          HB3       ALA  36  -3.700  -7.929 -14.145
  262    HA   PRO  37           HA       PRO  37   0.732  -4.182 -13.850
  263   1HB   PRO  37          HB2       PRO  37   1.442  -3.074 -16.289
  264   2HB   PRO  37          HB3       PRO  37   1.732  -4.776 -15.819
  265   1HG   PRO  37          HG2       PRO  37  -0.577  -3.656 -17.431
  266   2HG   PRO  37          HG3       PRO  37   0.437  -5.090 -17.797
  267   1HD   PRO  37          HD2       PRO  37  -1.966  -5.385 -16.619
  268   2HD   PRO  37          HD3       PRO  37  -0.580  -6.362 -16.075
  269    H    VAL  38           H        VAL  38  -2.027  -2.546 -15.481
  270    HA   VAL  38           HA       VAL  38  -1.138   0.110 -14.907
  271    HB   VAL  38           HB       VAL  38  -3.960  -0.985 -15.284
  272   1HG1  VAL  38          HG11      VAL  38  -4.063   1.168 -14.113
  273   2HG1  VAL  38          HG12      VAL  38  -2.955   1.884 -15.297
  274   3HG1  VAL  38          HG13      VAL  38  -4.585   1.363 -15.788
  275   1HG2  VAL  38          HG21      VAL  38  -2.555  -1.293 -17.291
  276   2HG2  VAL  38          HG22      VAL  38  -3.740  -0.008 -17.556
  277   3HG2  VAL  38          HG23      VAL  38  -2.049   0.407 -17.216
  278    H    LEU  39           H        LEU  39  -3.121  -2.281 -13.043
  279    HA   LEU  39           HA       LEU  39  -3.469  -0.532 -10.812
  280   1HB   LEU  39          HB2       LEU  39  -3.621  -3.556 -11.076
  281   2HB   LEU  39          HB3       LEU  39  -4.042  -2.688  -9.602
  282    HG   LEU  39           HG       LEU  39  -5.402  -2.171 -12.285
  283   1HD1  LEU  39          HD11      LEU  39  -7.266  -3.500 -11.409
  284   2HD1  LEU  39          HD12      LEU  39  -5.796  -4.467 -11.561
  285   3HD1  LEU  39          HD13      LEU  39  -6.322  -3.902  -9.954
  286   1HD2  LEU  39          HD21      LEU  39  -6.203  -1.391  -9.451
  287   2HD2  LEU  39          HD22      LEU  39  -5.606  -0.284 -10.706
  288   3HD2  LEU  39          HD23      LEU  39  -7.150  -1.107 -10.926
  289    H    GLU  40           H        GLU  40  -0.900  -2.937 -11.609
  290    HA   GLU  40           HA       GLU  40   0.415  -2.666  -9.078
  291   1HB   GLU  40          HB2       GLU  40   1.467  -3.437 -11.825
  292   2HB   GLU  40          HB3       GLU  40   2.463  -3.425 -10.366
  293   1HG   GLU  40          HG2       GLU  40   0.913  -5.017  -9.268
  294   2HG   GLU  40          HG3       GLU  40  -0.063  -5.092 -10.731
  295    H    GLU  41           H        GLU  41   0.772  -0.796 -12.138
  296    HA   GLU  41           HA       GLU  41   2.731   1.026 -11.188
  297   1HB   GLU  41          HB2       GLU  41   0.626   0.989 -13.342
  298   2HB   GLU  41          HB3       GLU  41   1.227   2.560 -12.858
  299   1HG   GLU  41          HG2       GLU  41   2.997   0.236 -13.685
  300   2HG   GLU  41          HG3       GLU  41   2.449   1.507 -14.785
  301    H    LEU  42           H        LEU  42  -0.861   1.103 -10.983
  302    HA   LEU  42           HA       LEU  42  -1.000   3.635  -9.753
  303   1HB   LEU  42          HB2       LEU  42  -2.870   2.059 -10.803
  304   2HB   LEU  42          HB3       LEU  42  -2.988   1.433  -9.162
  305    HG   LEU  42           HG       LEU  42  -3.126   4.031  -8.537
  306   1HD1  LEU  42          HD11      LEU  42  -4.067   4.021 -11.432
  307   2HD1  LEU  42          HD12      LEU  42  -4.267   5.345 -10.265
  308   3HD1  LEU  42          HD13      LEU  42  -2.645   4.868 -10.794
  309   1HD2  LEU  42          HD21      LEU  42  -4.932   2.470  -8.082
  310   2HD2  LEU  42          HD22      LEU  42  -5.604   3.925  -8.827
  311   3HD2  LEU  42          HD23      LEU  42  -5.399   2.449  -9.795
  312    H    ASP  43           H        ASP  43  -0.681   0.358  -8.342
  313    HA   ASP  43           HA       ASP  43  -0.929   1.118  -5.624
  314   1HB   ASP  43          HB2       ASP  43  -1.113  -1.203  -6.200
  315   2HB   ASP  43          HB3       ASP  43   0.500  -1.223  -6.926
  316    H    GLN  44           H        GLN  44   1.930   0.835  -7.810
  317    HA   GLN  44           HA       GLN  44   3.857   1.557  -5.829
  318   1HB   GLN  44          HB2       GLN  44   3.796   1.591  -8.859
  319   2HB   GLN  44          HB3       GLN  44   5.222   2.135  -7.960
  320   1HG   GLN  44          HG2       GLN  44   5.540  -0.014  -6.936
  321   2HG   GLN  44          HG3       GLN  44   3.976  -0.604  -7.493
  322   1HE2  GLN  44          HE22      GLN  44   3.639  -0.904  -9.801
  323   2HE2  GLN  44          HE21      GLN  44   5.003  -1.287 -10.851
  324    H    GLU  45           H        GLU  45   1.878   3.473  -8.068
  325    HA   GLU  45           HA       GLU  45   3.230   5.950  -7.642
  326   1HB   GLU  45          HB2       GLU  45   1.833   5.300  -9.630
  327   2HB   GLU  45          HB3       GLU  45   0.391   5.393  -8.627
  328   1HG   GLU  45          HG2       GLU  45   0.558   7.407  -9.908
  329   2HG   GLU  45          HG3       GLU  45   0.870   7.824  -8.228
  330    H    MET  46           H        MET  46   0.069   4.722  -6.388
  331    HA   MET  46           HA       MET  46   0.183   6.646  -4.136
  332   1HB   MET  46          HB2       MET  46  -2.125   7.299  -4.779
  333   2HB   MET  46          HB3       MET  46  -0.895   7.666  -6.003
  334   1HG   MET  46          HG2       MET  46  -1.597   5.924  -7.435
  335   2HG   MET  46          HG3       MET  46  -2.613   5.193  -6.201
  336   1HE   MET  46          HE1       MET  46  -2.146   8.671  -8.124
  337   2HE   MET  46          HE2       MET  46  -3.800   9.321  -8.016
  338   3HE   MET  46          HE3       MET  46  -2.813   9.170  -6.552
  339    H    GLY  47           H        GLY  47   0.144   3.463  -4.562
  340   1HA   GLY  47          HA2       GLY  47  -2.247   2.538  -3.255
  341   2HA   GLY  47          HA3       GLY  47  -0.799   1.611  -3.605
  342    H    ASP  48           H        ASP  48  -1.517   4.406  -1.616
  343    HA   ASP  48           HA       ASP  48  -1.175   3.063   0.901
  344   1HB   ASP  48          HB2       ASP  48   1.169   3.716   0.557
  345   2HB   ASP  48          HB3       ASP  48   0.674   5.356   0.117
  346    H    LYS  49           H        LYS  49  -1.572   6.096  -0.993
  347    HA   LYS  49           HA       LYS  49  -3.354   7.370   0.859
  348   1HB   LYS  49          HB2       LYS  49  -2.951   7.742  -2.142
  349   2HB   LYS  49          HB3       LYS  49  -3.966   8.773  -1.117
  350   1HG   LYS  49          HG2       LYS  49  -1.955   9.249   0.324
  351   2HG   LYS  49          HG3       LYS  49  -0.949   8.387  -0.841
  352   1HD   LYS  49          HD2       LYS  49  -2.610  10.879  -1.421
  353   2HD   LYS  49          HD3       LYS  49  -0.873  10.841  -1.100
  354   1HE   LYS  49          HE2       LYS  49  -0.554   9.369  -3.105
  355   2HE   LYS  49          HE3       LYS  49  -2.281   9.527  -3.468
  356   1HZ   LYS  49          HZ1       LYS  49  -0.339  11.771  -3.369
  357   2HZ   LYS  49          HZ2       LYS  49  -0.949  11.118  -4.726
  358   3HZ   LYS  49          HZ3       LYS  49  -1.929  11.930  -3.706
  359    H    LEU  50           H        LEU  50  -3.752   4.922  -1.672
  360    HA   LEU  50           HA       LEU  50  -6.415   4.433  -0.591
  361   1HB   LEU  50          HB2       LEU  50  -7.485   4.266  -2.556
  362   2HB   LEU  50          HB3       LEU  50  -6.366   5.547  -2.978
  363    HG   LEU  50           HG       LEU  50  -5.855   2.605  -3.684
  364   1HD1  LEU  50          HD11      LEU  50  -7.387   4.678  -5.249
  365   2HD1  LEU  50          HD12      LEU  50  -6.772   3.144  -5.908
  366   3HD1  LEU  50          HD13      LEU  50  -7.972   3.147  -4.602
  367   1HD2  LEU  50          HD21      LEU  50  -3.882   3.953  -3.834
  368   2HD2  LEU  50          HD22      LEU  50  -4.446   3.595  -5.466
  369   3HD2  LEU  50          HD23      LEU  50  -4.721   5.207  -4.761
  370    H    LYS  51           H        LYS  51  -7.121   2.213  -0.966
  371    HA   LYS  51           HA       LYS  51  -4.888   0.218  -0.981
  372   1HB   LYS  51          HB2       LYS  51  -6.479   0.343   0.980
  373   2HB   LYS  51          HB3       LYS  51  -7.807   0.002  -0.127
  374   1HG   LYS  51          HG2       LYS  51  -6.667  -2.215  -0.663
  375   2HG   LYS  51          HG3       LYS  51  -5.516  -1.854   0.629
  376   1HD   LYS  51          HD2       LYS  51  -8.552  -2.110   0.910
  377   2HD   LYS  51          HD3       LYS  51  -7.366  -3.346   1.339
  378   1HE   LYS  51          HE2       LYS  51  -6.396  -1.830   3.054
  379   2HE   LYS  51          HE3       LYS  51  -7.618  -0.596   2.667
  380   1HZ   LYS  51          HZ1       LYS  51  -9.317  -2.078   3.399
  381   2HZ   LYS  51          HZ2       LYS  51  -8.284  -3.342   3.563
  382   3HZ   LYS  51          HZ3       LYS  51  -8.183  -2.081   4.596
  383    H    ILE  52           H        ILE  52  -5.243  -1.681  -2.445
  384    HA   ILE  52           HA       ILE  52  -7.330  -1.286  -4.514
  385    HB   ILE  52           HB       ILE  52  -4.551  -2.410  -5.013
  386   1HG1  ILE  52          HG12      ILE  52  -5.755   0.304  -5.675
  387   2HG1  ILE  52          HG13      ILE  52  -4.277  -0.050  -4.774
  388   1HG2  ILE  52          HG21      ILE  52  -6.343  -3.489  -6.374
  389   2HG2  ILE  52          HG22      ILE  52  -6.816  -1.888  -6.986
  390   3HG2  ILE  52          HG23      ILE  52  -5.219  -2.585  -7.357
  391   1HD1  ILE  52          HD11      ILE  52  -3.294  -0.975  -6.926
  392   2HD1  ILE  52          HD12      ILE  52  -4.703  -0.275  -7.761
  393   3HD1  ILE  52          HD13      ILE  52  -3.588   0.773  -6.868
  394    H    VAL  53           H        VAL  53  -8.583  -3.183  -4.801
  395    HA   VAL  53           HA       VAL  53  -7.750  -5.606  -3.244
  396    HB   VAL  53           HB       VAL  53 -10.474  -4.225  -3.183
  397   1HG1  VAL  53          HG11      VAL  53  -9.597  -6.771  -1.763
  398   2HG1  VAL  53          HG12      VAL  53 -11.145  -5.920  -1.543
  399   3HG1  VAL  53          HG13      VAL  53 -10.773  -6.670  -3.096
  400   1HG2  VAL  53          HG21      VAL  53  -8.527  -4.700  -0.883
  401   2HG2  VAL  53          HG22      VAL  53  -8.777  -3.143  -1.690
  402   3HG2  VAL  53          HG23      VAL  53 -10.109  -3.893  -0.801
  403    H    LYS  54           H        LYS  54  -7.553  -7.198  -4.623
  404    HA   LYS  54           HA       LYS  54  -9.082  -7.360  -7.128
  405   1HB   LYS  54          HB2       LYS  54  -7.310  -9.295  -5.565
  406   2HB   LYS  54          HB3       LYS  54  -8.007  -9.684  -7.136
  407   1HG   LYS  54          HG2       LYS  54  -6.038  -7.415  -6.633
  408   2HG   LYS  54          HG3       LYS  54  -5.672  -8.992  -7.353
  409   1HD   LYS  54          HD2       LYS  54  -7.449  -8.481  -9.113
  410   2HD   LYS  54          HD3       LYS  54  -7.485  -6.816  -8.489
  411   1HE   LYS  54          HE2       LYS  54  -5.275  -6.385  -9.116
  412   2HE   LYS  54          HE3       LYS  54  -4.884  -8.114  -9.274
  413   1HZ   LYS  54          HZ1       LYS  54  -5.241  -6.961 -11.446
  414   2HZ   LYS  54          HZ2       LYS  54  -6.224  -8.248 -11.227
  415   3HZ   LYS  54          HZ3       LYS  54  -6.837  -6.748 -11.041
  416    H    ILE  55           H        ILE  55 -10.917  -8.547  -7.517
  417    HA   ILE  55           HA       ILE  55 -11.681 -10.666  -5.653
  418    HB   ILE  55           HB       ILE  55 -12.720  -8.787  -4.608
  419   1HG1  ILE  55          HG12      ILE  55 -14.945 -10.157  -6.149
  420   2HG1  ILE  55          HG13      ILE  55 -13.969 -10.965  -4.911
  421   1HG2  ILE  55          HG21      ILE  55 -14.368  -7.298  -5.755
  422   2HG2  ILE  55          HG22      ILE  55 -12.728  -7.103  -6.358
  423   3HG2  ILE  55          HG23      ILE  55 -13.909  -8.032  -7.294
  424   1HD1  ILE  55          HD11      ILE  55 -15.711  -8.514  -4.434
  425   2HD1  ILE  55          HD12      ILE  55 -16.021 -10.175  -3.916
  426   3HD1  ILE  55          HD13      ILE  55 -14.655  -9.295  -3.229
  427    H    ASP  56           H        ASP  56 -13.136 -12.220  -6.755
  428    HA   ASP  56           HA       ASP  56 -12.930 -11.944  -9.730
  429   1HB   ASP  56          HB2       ASP  56 -11.231 -13.420  -8.706
  430   2HB   ASP  56          HB3       ASP  56 -12.522 -14.446  -8.076
  431    H    VAL  57           H        VAL  57 -14.819 -11.985 -10.722
  432    HA   VAL  57           HA       VAL  57 -17.270 -12.201  -9.381
  433    HB   VAL  57           HB       VAL  57 -18.285 -12.227 -11.652
  434   1HG1  VAL  57          HG11      VAL  57 -16.027 -10.210 -11.334
  435   2HG1  VAL  57          HG12      VAL  57 -17.486 -10.023 -12.331
  436   3HG1  VAL  57          HG13      VAL  57 -17.637 -10.112 -10.578
  437   1HG2  VAL  57          HG21      VAL  57 -16.886 -12.037 -13.662
  438   2HG2  VAL  57          HG22      VAL  57 -15.412 -12.294 -12.711
  439   3HG2  VAL  57          HG23      VAL  57 -16.608 -13.593 -12.883
  440    H    ASP  58           H        ASP  58 -15.342 -14.812 -10.773
  441    HA   ASP  58           HA       ASP  58 -17.539 -16.628 -11.207
  442   1HB   ASP  58          HB2       ASP  58 -15.334 -16.732 -12.372
  443   2HB   ASP  58          HB3       ASP  58 -14.577 -17.211 -10.846
  444    H    GLU  59           H        GLU  59 -16.090 -15.529  -8.334
  445    HA   GLU  59           HA       GLU  59 -17.339 -17.760  -6.792
  446   1HB   GLU  59          HB2       GLU  59 -14.670 -16.392  -6.228
  447   2HB   GLU  59          HB3       GLU  59 -15.483 -17.529  -5.147
  448   1HG   GLU  59          HG2       GLU  59 -15.346 -19.285  -6.923
  449   2HG   GLU  59          HG3       GLU  59 -14.402 -18.170  -7.919
  450    H    ASN  60           H        ASN  60 -17.793 -14.651  -7.619
  451    HA   ASN  60           HA       ASN  60 -18.620 -13.743  -4.905
  452   1HB   ASN  60          HB2       ASN  60 -16.700 -12.249  -6.736
  453   2HB   ASN  60          HB3       ASN  60 -17.529 -11.528  -5.381
  454   1HD2  ASN  60          HD22      ASN  60 -14.941 -13.677  -6.274
  455   2HD2  ASN  60          HD21      ASN  60 -14.342 -13.964  -4.644
  456    H    GLN  61           H        GLN  61 -20.357 -14.691  -6.663
  457    HA   GLN  61           HA       GLN  61 -21.572 -12.874  -8.486
  458   1HB   GLN  61          HB2       GLN  61 -23.011 -14.904  -6.704
  459   2HB   GLN  61          HB3       GLN  61 -23.567 -14.206  -8.201
  460   1HG   GLN  61          HG2       GLN  61 -22.984 -16.439  -8.639
  461   2HG   GLN  61          HG3       GLN  61 -21.793 -15.425  -9.437
  462   1HE2  GLN  61          HE22      GLN  61 -21.537 -16.150  -5.839
  463   2HE2  GLN  61          HE21      GLN  61 -20.226 -17.272  -6.065
  464    H    GLU  62           H        GLU  62 -21.924 -13.504  -5.007
  465    HA   GLU  62           HA       GLU  62 -24.096 -11.818  -4.498
  466   1HB   GLU  62          HB2       GLU  62 -21.878 -12.813  -2.638
  467   2HB   GLU  62          HB3       GLU  62 -23.425 -12.134  -2.121
  468   1HG   GLU  62          HG2       GLU  62 -24.021 -14.298  -1.970
  469   2HG   GLU  62          HG3       GLU  62 -24.405 -14.103  -3.673
  470    H    THR  63           H        THR  63 -20.574 -11.069  -4.451
  471    HA   THR  63           HA       THR  63 -21.092  -8.433  -3.402
  472    HB   THR  63           HB       THR  63 -18.511  -8.727  -4.676
  473    HG1  THR  63           HG1      THR  63 -17.779 -10.369  -3.191
  474   1HG2  THR  63          HG21      THR  63 -19.311  -8.422  -1.761
  475   2HG2  THR  63          HG22      THR  63 -17.694  -8.143  -2.453
  476   3HG2  THR  63          HG23      THR  63 -19.047  -7.099  -2.920
  477    H    ALA  64           H        ALA  64 -20.177  -9.830  -6.634
  478    HA   ALA  64           HA       ALA  64 -19.926  -7.267  -7.816
  479   1HB   ALA  64          HB1       ALA  64 -19.051  -9.465  -8.729
  480   2HB   ALA  64          HB2       ALA  64 -20.713  -9.915  -9.157
  481   3HB   ALA  64          HB3       ALA  64 -19.930  -8.518  -9.938
  482    H    GLY  65           H        GLY  65 -22.719  -9.540  -7.687
  483   1HA   GLY  65          HA2       GLY  65 -24.597  -7.994  -9.115
  484   2HA   GLY  65          HA3       GLY  65 -24.950  -9.216  -7.881
  485    H    LYS  66           H        LYS  66 -23.329  -7.582  -5.841
  486    HA   LYS  66           HA       LYS  66 -25.448  -6.097  -4.664
  487   1HB   LYS  66          HB2       LYS  66 -23.049  -7.084  -3.810
  488   2HB   LYS  66          HB3       LYS  66 -22.614  -5.390  -3.989
  489   1HG   LYS  66          HG2       LYS  66 -24.626  -4.840  -2.527
  490   2HG   LYS  66          HG3       LYS  66 -24.856  -6.578  -2.294
  491   1HD   LYS  66          HD2       LYS  66 -22.485  -4.873  -1.470
  492   2HD   LYS  66          HD3       LYS  66 -23.640  -5.658  -0.401
  493   1HE   LYS  66          HE2       LYS  66 -21.465  -6.960  -2.086
  494   2HE   LYS  66          HE3       LYS  66 -21.517  -6.822  -0.335
  495   1HZ   LYS  66          HZ1       LYS  66 -23.497  -8.299  -0.386
  496   2HZ   LYS  66          HZ2       LYS  66 -23.254  -8.560  -2.000
  497   3HZ   LYS  66          HZ3       LYS  66 -22.127  -9.024  -0.914
  498    H    TYR  67           H        TYR  67 -22.968  -5.208  -7.026
  499    HA   TYR  67           HA       TYR  67 -23.903  -2.376  -6.957
  500   1HB   TYR  67          HB2       TYR  67 -21.340  -3.316  -8.234
  501   2HB   TYR  67          HB3       TYR  67 -21.764  -1.706  -7.667
  502    HD1  TYR  67           HD1      TYR  67 -20.047  -4.735  -6.927
  503    HD2  TYR  67           HD2      TYR  67 -22.197  -1.521  -5.011
  504    HE1  TYR  67           HE1      TYR  67 -19.185  -5.470  -4.765
  505    HE2  TYR  67           HE2      TYR  67 -21.298  -2.218  -2.820
  506    HH   TYR  67           HH       TYR  67 -20.073  -3.823  -1.665
  507    H    GLY  68           H        GLY  68 -24.870  -5.002  -8.508
  508   1HA   GLY  68          HA2       GLY  68 -25.912  -5.366 -10.497
  509   2HA   GLY  68          HA3       GLY  68 -25.714  -3.651 -10.891
  510    H    VAL  69           H        VAL  69 -23.001  -5.881 -10.167
  511    HA   VAL  69           HA       VAL  69 -21.991  -5.567 -12.967
  512    HB   VAL  69           HB       VAL  69 -20.540  -5.924 -10.303
  513   1HG1  VAL  69          HG11      VAL  69 -19.284  -7.063 -12.072
  514   2HG1  VAL  69          HG12      VAL  69 -19.370  -5.606 -13.094
  515   3HG1  VAL  69          HG13      VAL  69 -18.466  -5.598 -11.560
  516   1HG2  VAL  69          HG21      VAL  69 -20.674  -3.530 -12.197
  517   2HG2  VAL  69          HG22      VAL  69 -21.400  -3.623 -10.587
  518   3HG2  VAL  69          HG23      VAL  69 -19.648  -3.651 -10.751
  519    H    MET  70           H        MET  70 -21.601  -7.395 -14.101
  520    HA   MET  70           HA       MET  70 -20.824  -9.800 -12.746
  521   1HB   MET  70          HB2       MET  70 -23.451  -9.863 -12.912
  522   2HB   MET  70          HB3       MET  70 -23.183 -10.180 -14.627
  523   1HG   MET  70          HG2       MET  70 -23.428 -12.277 -13.384
  524   2HG   MET  70          HG3       MET  70 -21.787 -12.154 -14.005
  525   1HE   MET  70          HE1       MET  70 -20.736 -14.019 -10.869
  526   2HE   MET  70          HE2       MET  70 -22.090 -14.386 -11.966
  527   3HE   MET  70          HE3       MET  70 -20.544 -13.784 -12.616
  528    H    SER  71           H        SER  71 -19.616  -7.824 -14.388
  529    HA   SER  71           HA       SER  71 -18.662  -9.391 -16.657
  530   1HB   SER  71          HB2       SER  71 -19.498  -6.461 -16.856
  531   2HB   SER  71          HB3       SER  71 -18.818  -7.455 -18.155
  532    HG   SER  71           HG       SER  71 -21.100  -7.260 -18.295
  533    H    ILE  72           H        ILE  72 -16.504  -8.479 -17.375
  534    HA   ILE  72           HA       ILE  72 -15.132  -6.927 -15.300
  535    HB   ILE  72           HB       ILE  72 -13.411  -8.557 -15.026
  536   1HG1  ILE  72          HG12      ILE  72 -13.451  -9.735 -17.168
  537   2HG1  ILE  72          HG13      ILE  72 -13.311 -10.753 -15.763
  538   1HG2  ILE  72          HG21      ILE  72 -16.079  -9.838 -14.390
  539   2HG2  ILE  72          HG22      ILE  72 -14.523 -10.169 -13.613
  540   3HG2  ILE  72          HG23      ILE  72 -15.274  -8.574 -13.451
  541   1HD1  ILE  72          HD11      ILE  72 -14.720 -11.804 -17.423
  542   2HD1  ILE  72          HD12      ILE  72 -15.684 -11.443 -15.985
  543   3HD1  ILE  72          HD13      ILE  72 -15.824 -10.425 -17.444
  544    HA   PRO  73           HA       PRO  73 -12.667  -6.582 -14.999
  545   1HB   PRO  73          HB2       PRO  73 -11.239  -4.274 -15.471
  546   2HB   PRO  73          HB3       PRO  73 -10.593  -5.916 -15.698
  547   1HG   PRO  73          HG2       PRO  73 -11.635  -4.005 -17.768
  548   2HG   PRO  73          HG3       PRO  73 -10.270  -5.162 -17.891
  549   1HD   PRO  73          HD2       PRO  73 -12.781  -5.627 -18.958
  550   2HD   PRO  73          HD3       PRO  73 -11.682  -6.921 -18.407
  551    H    THR  74           H        THR  74 -13.725  -5.400 -13.449
  552    HA   THR  74           HA       THR  74 -15.053  -2.884 -14.265
  553    HB   THR  74           HB       THR  74 -16.399  -5.084 -12.660
  554    HG1  THR  74           HG1      THR  74 -17.131  -5.592 -14.516
  555   1HG2  THR  74          HG21      THR  74 -17.063  -3.007 -11.677
  556   2HG2  THR  74          HG22      THR  74 -17.110  -2.178 -13.237
  557   3HG2  THR  74          HG23      THR  74 -18.345  -3.381 -12.845
  558    H    LEU  75           H        LEU  75 -14.225  -1.381 -13.131
  559    HA   LEU  75           HA       LEU  75 -12.745  -1.933 -10.624
  560   1HB   LEU  75          HB2       LEU  75 -12.985   0.558 -12.367
  561   2HB   LEU  75          HB3       LEU  75 -12.048   0.444 -10.886
  562    HG   LEU  75           HG       LEU  75 -11.547  -1.163 -13.437
  563   1HD1  LEU  75          HD11      LEU  75 -10.979   1.239 -13.631
  564   2HD1  LEU  75          HD12      LEU  75  -9.930   1.094 -12.203
  565   3HD1  LEU  75          HD13      LEU  75  -9.542   0.206 -13.693
  566   1HD2  LEU  75          HD21      LEU  75  -9.405  -1.843 -12.369
  567   2HD2  LEU  75          HD22      LEU  75  -9.948  -1.105 -10.840
  568   3HD2  LEU  75          HD23      LEU  75 -10.812  -2.492 -11.540
  569    H    LEU  76           H        LEU  76 -13.454  -1.060  -8.719
  570    HA   LEU  76           HA       LEU  76 -16.135   0.257  -8.628
  571   1HB   LEU  76          HB2       LEU  76 -15.355  -2.408  -7.672
  572   2HB   LEU  76          HB3       LEU  76 -15.638  -1.361  -6.300
  573    HG   LEU  76           HG       LEU  76 -17.598  -2.661  -6.850
  574   1HD1  LEU  76          HD11      LEU  76 -17.914  -0.513  -5.766
  575   2HD1  LEU  76          HD12      LEU  76 -18.005   0.300  -7.341
  576   3HD1  LEU  76          HD13      LEU  76 -19.253  -0.864  -6.867
  577   1HD2  LEU  76          HD21      LEU  76 -18.900  -2.240  -8.897
  578   2HD2  LEU  76          HD22      LEU  76 -17.606  -1.191  -9.505
  579   3HD2  LEU  76          HD23      LEU  76 -17.300  -2.921  -9.255
  580    H    VAL  77           H        VAL  77 -15.971   2.136  -7.351
  581    HA   VAL  77           HA       VAL  77 -13.367   2.473  -5.911
  582    HB   VAL  77           HB       VAL  77 -15.050   4.715  -7.058
  583   1HG1  VAL  77          HG11      VAL  77 -12.965   5.999  -6.784
  584   2HG1  VAL  77          HG12      VAL  77 -13.431   5.265  -5.245
  585   3HG1  VAL  77          HG13      VAL  77 -12.121   4.547  -6.204
  586   1HG2  VAL  77          HG21      VAL  77 -13.382   4.896  -8.905
  587   2HG2  VAL  77          HG22      VAL  77 -12.697   3.332  -8.413
  588   3HG2  VAL  77          HG23      VAL  77 -14.361   3.434  -9.025
  589    H    LEU  78           H        LEU  78 -13.658   2.515  -3.795
  590    HA   LEU  78           HA       LEU  78 -16.289   3.365  -2.661
  591   1HB   LEU  78          HB2       LEU  78 -14.581   1.035  -1.684
  592   2HB   LEU  78          HB3       LEU  78 -16.041   1.660  -0.938
  593    HG   LEU  78           HG       LEU  78 -16.996   1.131  -3.465
  594   1HD1  LEU  78          HD11      LEU  78 -16.213  -1.101  -4.125
  595   2HD1  LEU  78          HD12      LEU  78 -14.934   0.115  -4.273
  596   3HD1  LEU  78          HD13      LEU  78 -14.923  -1.019  -2.914
  597   1HD2  LEU  78          HD21      LEU  78 -16.881  -0.898  -1.208
  598   2HD2  LEU  78          HD22      LEU  78 -18.044   0.441  -1.344
  599   3HD2  LEU  78          HD23      LEU  78 -18.049  -0.845  -2.553
  600    H    LYS  79           H        LYS  79 -16.090   4.179  -0.456
  601    HA   LYS  79           HA       LYS  79 -13.377   4.883   0.450
  602   1HB   LYS  79          HB2       LYS  79 -14.126   6.727  -1.055
  603   2HB   LYS  79          HB3       LYS  79 -15.555   6.972  -0.040
  604   1HG   LYS  79          HG2       LYS  79 -14.138   7.612   1.869
  605   2HG   LYS  79          HG3       LYS  79 -12.681   7.174   0.965
  606   1HD   LYS  79          HD2       LYS  79 -13.417   8.928  -0.783
  607   2HD   LYS  79          HD3       LYS  79 -14.600   9.480   0.416
  608   1HE   LYS  79          HE2       LYS  79 -12.764   9.981   2.008
  609   2HE   LYS  79          HE3       LYS  79 -11.589   9.280   0.885
  610   1HZ   LYS  79          HZ1       LYS  79 -13.093  11.788   0.522
  611   2HZ   LYS  79          HZ2       LYS  79 -11.453  11.557   0.494
  612   3HZ   LYS  79          HZ3       LYS  79 -12.342  11.020  -0.730
  613    H    ASP  80           H        ASP  80 -13.320   4.363   2.545
  614    HA   ASP  80           HA       ASP  80 -13.960   3.733   4.598
  615   1HB   ASP  80          HB2       ASP  80 -13.762   6.193   4.681
  616   2HB   ASP  80          HB3       ASP  80 -15.501   6.341   4.427
  617    H    GLY  81           H        GLY  81 -15.557   2.387   2.698
  618   1HA   GLY  81          HA2       GLY  81 -16.934   0.641   3.277
  619   2HA   GLY  81          HA3       GLY  81 -17.743   1.607   4.509
  620    H    GLU  82           H        GLU  82 -17.725   3.513   1.649
  621    HA   GLU  82           HA       GLU  82 -20.215   2.235   0.653
  622   1HB   GLU  82          HB2       GLU  82 -21.344   4.266   0.634
  623   2HB   GLU  82          HB3       GLU  82 -20.544   4.185   2.212
  624   1HG   GLU  82          HG2       GLU  82 -18.781   5.731   1.387
  625   2HG   GLU  82          HG3       GLU  82 -19.607   5.842  -0.169
  626    H    VAL  83           H        VAL  83 -20.586   2.412  -1.562
  627    HA   VAL  83           HA       VAL  83 -18.268   2.770  -3.273
  628    HB   VAL  83           HB       VAL  83 -19.891   1.012  -3.660
  629   1HG1  VAL  83          HG11      VAL  83 -21.988   2.051  -2.912
  630   2HG1  VAL  83          HG12      VAL  83 -21.942   3.167  -4.296
  631   3HG1  VAL  83          HG13      VAL  83 -22.126   1.421  -4.554
  632   1HG2  VAL  83          HG21      VAL  83 -18.587   1.896  -5.525
  633   2HG2  VAL  83          HG22      VAL  83 -20.168   1.297  -6.050
  634   3HG2  VAL  83          HG23      VAL  83 -19.892   3.042  -5.921
  635    H    VAL  84           H        VAL  84 -17.776   4.336  -4.562
  636    HA   VAL  84           HA       VAL  84 -19.415   6.796  -4.611
  637    HB   VAL  84           HB       VAL  84 -17.369   8.136  -4.485
  638   1HG1  VAL  84          HG11      VAL  84 -16.976   7.950  -2.098
  639   2HG1  VAL  84          HG12      VAL  84 -18.691   7.661  -2.429
  640   3HG1  VAL  84          HG13      VAL  84 -17.614   6.296  -2.064
  641   1HG2  VAL  84          HG21      VAL  84 -15.233   7.236  -3.750
  642   2HG2  VAL  84          HG22      VAL  84 -15.881   5.590  -3.713
  643   3HG2  VAL  84          HG23      VAL  84 -15.701   6.450  -5.263
  644    H    GLU  85           H        GLU  85 -17.588   4.367  -6.440
  645    HA   GLU  85           HA       GLU  85 -18.870   5.505  -8.764
  646   1HB   GLU  85          HB2       GLU  85 -16.126   6.313  -8.307
  647   2HB   GLU  85          HB3       GLU  85 -16.139   5.243  -9.693
  648   1HG   GLU  85          HG2       GLU  85 -17.901   7.719  -9.401
  649   2HG   GLU  85          HG3       GLU  85 -16.361   7.663 -10.235
  650    H    THR  86           H        THR  86 -18.459   4.158 -10.758
  651    HA   THR  86           HA       THR  86 -17.175   1.546 -10.389
  652    HB   THR  86           HB       THR  86 -20.111   1.919 -11.135
  653    HG1  THR  86           HG1      THR  86 -19.085   1.627  -8.881
  654   1HG2  THR  86          HG21      THR  86 -18.364  -0.539 -11.470
  655   2HG2  THR  86          HG22      THR  86 -20.136  -0.620 -11.321
  656   3HG2  THR  86          HG23      THR  86 -19.394   0.256 -12.666
  657    H    SER  87           H        SER  87 -16.275   0.862 -12.369
  658    HA   SER  87           HA       SER  87 -16.921   2.337 -14.861
  659   1HB   SER  87          HB2       SER  87 -14.087   2.091 -13.757
  660   2HB   SER  87          HB3       SER  87 -14.593   2.931 -15.229
  661    HG   SER  87           HG       SER  87 -15.766   4.388 -13.860
  662    H    VAL  88           H        VAL  88 -16.346   1.078 -16.749
  663    HA   VAL  88           HA       VAL  88 -15.646  -1.764 -16.144
  664    HB   VAL  88           HB       VAL  88 -17.794  -0.739 -18.044
  665   1HG1  VAL  88          HG11      VAL  88 -16.898  -2.894 -18.794
  666   2HG1  VAL  88          HG12      VAL  88 -17.070  -3.569 -17.157
  667   3HG1  VAL  88          HG13      VAL  88 -18.504  -3.136 -18.112
  668   1HG2  VAL  88          HG21      VAL  88 -19.437  -1.718 -16.468
  669   2HG2  VAL  88          HG22      VAL  88 -18.130  -2.073 -15.325
  670   3HG2  VAL  88          HG23      VAL  88 -18.556  -0.391 -15.720
  671    H    GLY  89           H        GLY  89 -14.464  -2.837 -17.718
  672   1HA   GLY  89          HA2       GLY  89 -13.264  -3.173 -19.666
  673   2HA   GLY  89          HA3       GLY  89 -13.796  -1.610 -20.295
  674    H    PHE  90           H        PHE  90 -11.257  -2.158 -20.769
  675    HA   PHE  90           HA       PHE  90  -9.354  -1.544 -18.746
  676   1HB   PHE  90          HB2       PHE  90  -8.805  -2.734 -20.830
  677   2HB   PHE  90          HB3       PHE  90  -9.219  -1.312 -21.782
  678    HD1  PHE  90           HD1      PHE  90  -6.785  -2.690 -19.300
  679    HD2  PHE  90           HD2      PHE  90  -7.641   0.489 -22.096
  680    HE1  PHE  90           HE1      PHE  90  -4.468  -1.828 -19.053
  681    HE2  PHE  90           HE2      PHE  90  -5.324   1.337 -21.838
  682    HZ   PHE  90           HZ       PHE  90  -3.736   0.179 -20.312
  683    H    LYS  91           H        LYS  91  -8.052   0.385 -18.489
  684    HA   LYS  91           HA       LYS  91  -8.716   2.798 -19.873
  685   1HB   LYS  91          HB2       LYS  91  -9.831   2.341 -17.172
  686   2HB   LYS  91          HB3       LYS  91  -8.777   3.744 -17.199
  687   1HG   LYS  91          HG2       LYS  91 -10.088   4.963 -18.612
  688   2HG   LYS  91          HG3       LYS  91 -10.706   3.578 -19.492
  689   1HD   LYS  91          HD2       LYS  91 -11.542   4.322 -16.668
  690   2HD   LYS  91          HD3       LYS  91 -12.418   4.777 -18.129
  691   1HE   LYS  91          HE2       LYS  91 -11.943   1.920 -17.148
  692   2HE   LYS  91          HE3       LYS  91 -13.448   2.833 -17.031
  693   1HZ   LYS  91          HZ1       LYS  91 -13.586   1.394 -18.886
  694   2HZ   LYS  91          HZ2       LYS  91 -13.458   2.903 -19.498
  695   3HZ   LYS  91          HZ3       LYS  91 -12.155   1.890 -19.519
  696    HA   PRO  92           HA       PRO  92  -4.371   2.988 -19.029
  697   1HB   PRO  92          HB2       PRO  92  -3.745   5.604 -19.533
  698   2HB   PRO  92          HB3       PRO  92  -4.266   4.472 -20.815
  699   1HG   PRO  92          HG2       PRO  92  -5.963   6.487 -19.312
  700   2HG   PRO  92          HG3       PRO  92  -5.875   6.219 -21.082
  701   1HD   PRO  92          HD2       PRO  92  -7.830   5.103 -19.529
  702   2HD   PRO  92          HD3       PRO  92  -7.144   4.240 -20.939
  703    H    LYS  93           H        LYS  93  -2.751   3.888 -17.559
  704    HA   LYS  93           HA       LYS  93  -3.558   4.158 -14.884
  705   1HB   LYS  93          HB2       LYS  93  -1.243   3.560 -15.610
  706   2HB   LYS  93          HB3       LYS  93  -1.028   5.201 -16.226
  707   1HG   LYS  93          HG2       LYS  93  -1.437   6.015 -13.805
  708   2HG   LYS  93          HG3       LYS  93  -1.300   4.322 -13.313
  709   1HD   LYS  93          HD2       LYS  93   0.977   4.236 -14.295
  710   2HD   LYS  93          HD3       LYS  93   0.786   5.874 -14.942
  711   1HE   LYS  93          HE2       LYS  93   0.556   6.813 -12.707
  712   2HE   LYS  93          HE3       LYS  93   0.661   5.198 -11.979
  713   1HZ   LYS  93          HZ1       LYS  93   2.831   6.468 -13.546
  714   2HZ   LYS  93          HZ2       LYS  93   2.793   6.385 -11.918
  715   3HZ   LYS  93          HZ3       LYS  93   2.922   4.998 -12.824
  716    H    GLU  94           H        GLU  94  -2.850   6.799 -17.276
  717    HA   GLU  94           HA       GLU  94  -2.805   8.796 -15.345
  718   1HB   GLU  94          HB2       GLU  94  -1.930   8.886 -17.708
  719   2HB   GLU  94          HB3       GLU  94  -3.595   9.072 -18.282
  720   1HG   GLU  94          HG2       GLU  94  -3.808  11.158 -16.959
  721   2HG   GLU  94          HG3       GLU  94  -2.173  10.924 -16.330
  722    H    ALA  95           H        ALA  95  -5.556   7.609 -17.245
  723    HA   ALA  95           HA       ALA  95  -7.477   9.478 -16.229
  724   1HB   ALA  95          HB1       ALA  95  -7.742   6.634 -17.298
  725   2HB   ALA  95          HB2       ALA  95  -9.082   7.792 -17.115
  726   3HB   ALA  95          HB3       ALA  95  -7.777   8.121 -18.284
  727    H    LEU  96           H        LEU  96  -6.398   6.199 -15.215
  728    HA   LEU  96           HA       LEU  96  -8.399   5.912 -13.228
  729   1HB   LEU  96          HB2       LEU  96  -7.173   4.053 -14.287
  730   2HB   LEU  96          HB3       LEU  96  -5.679   4.569 -13.498
  731    HG   LEU  96           HG       LEU  96  -6.586   4.051 -11.297
  732   1HD1  LEU  96          HD11      LEU  96  -8.946   4.599 -11.508
  733   2HD1  LEU  96          HD12      LEU  96  -9.172   3.348 -12.751
  734   3HD1  LEU  96          HD13      LEU  96  -8.808   2.907 -11.066
  735   1HD2  LEU  96          HD21      LEU  96  -5.521   2.254 -12.589
  736   2HD2  LEU  96          HD22      LEU  96  -6.819   1.595 -11.592
  737   3HD2  LEU  96          HD23      LEU  96  -7.079   1.823 -13.328
  738    H    GLN  97           H        GLN  97  -5.015   7.156 -13.053
  739    HA   GLN  97           HA       GLN  97  -5.193   7.509 -10.192
  740   1HB   GLN  97          HB2       GLN  97  -3.079   8.605 -10.267
  741   2HB   GLN  97          HB3       GLN  97  -3.037   7.184 -11.287
  742   1HG   GLN  97          HG2       GLN  97  -1.860   8.726 -12.533
  743   2HG   GLN  97          HG3       GLN  97  -3.463   8.768 -13.247
  744   1HE2  GLN  97          HE22      GLN  97  -4.131  10.773 -13.759
  745   2HE2  GLN  97          HE21      GLN  97  -3.637  12.250 -12.943
  746    H    GLU  98           H        GLU  98  -6.054   9.495 -13.022
  747    HA   GLU  98           HA       GLU  98  -6.426  11.928 -11.588
  748   1HB   GLU  98          HB2       GLU  98  -6.361  11.826 -14.049
  749   2HB   GLU  98          HB3       GLU  98  -7.861  10.885 -14.071
  750   1HG   GLU  98          HG2       GLU  98  -8.994  12.798 -12.889
  751   2HG   GLU  98          HG3       GLU  98  -7.513  13.740 -13.080
  752    H    LEU  99           H        LEU  99  -8.600   9.210 -12.409
  753    HA   LEU  99           HA       LEU  99 -10.936  10.166 -11.149
  754   1HB   LEU  99          HB2       LEU  99 -10.920   8.284 -12.724
  755   2HB   LEU  99          HB3       LEU  99  -9.962   7.315 -11.608
  756    HG   LEU  99           HG       LEU  99 -11.835   7.290  -9.979
  757   1HD1  LEU  99          HD11      LEU  99 -13.367   8.787 -12.156
  758   2HD1  LEU  99          HD12      LEU  99 -14.089   8.038 -10.715
  759   3HD1  LEU  99          HD13      LEU  99 -12.982   9.393 -10.528
  760   1HD2  LEU  99          HD21      LEU  99 -13.303   5.791 -11.274
  761   2HD2  LEU  99          HD22      LEU  99 -12.586   6.380 -12.787
  762   3HD2  LEU  99          HD23      LEU  99 -11.594   5.481 -11.619
  763    H    VAL 100           H        VAL 100  -8.305   8.078  -9.811
  764    HA   VAL 100           HA       VAL 100  -9.524   7.841  -7.248
  765    HB   VAL 100           HB       VAL 100  -6.669   7.500  -8.217
  766   1HG1  VAL 100          HG11      VAL 100  -6.449   8.155  -5.872
  767   2HG1  VAL 100          HG12      VAL 100  -7.756   7.047  -5.396
  768   3HG1  VAL 100          HG13      VAL 100  -6.205   6.424  -6.012
  769   1HG2  VAL 100          HG21      VAL 100  -7.194   5.109  -7.788
  770   2HG2  VAL 100          HG22      VAL 100  -8.824   5.550  -7.250
  771   3HG2  VAL 100          HG23      VAL 100  -8.343   5.800  -8.937
  772    H    ASN 101           H        ASN 101  -7.018  10.206  -8.443
  773    HA   ASN 101           HA       ASN 101  -6.849  11.437  -5.898
  774   1HB   ASN 101          HB2       ASN 101  -5.221  12.644  -6.730
  775   2HB   ASN 101          HB3       ASN 101  -5.386  11.695  -8.191
  776   1HD2  ASN 101          HD22      ASN 101  -7.058  12.648  -9.839
  777   2HD2  ASN 101          HD21      ASN 101  -6.945  14.382 -10.052
  778    H    LYS 102           H        LYS 102  -9.189  11.929  -8.463
  779    HA   LYS 102           HA       LYS 102 -10.388  14.284  -7.305
  780   1HB   LYS 102          HB2       LYS 102 -11.378  12.147  -9.231
  781   2HB   LYS 102          HB3       LYS 102 -12.429  13.446  -8.661
  782   1HG   LYS 102          HG2       LYS 102 -10.984  15.154  -9.558
  783   2HG   LYS 102          HG3       LYS 102  -9.743  13.975 -10.003
  784   1HD   LYS 102          HD2       LYS 102 -11.175  12.973 -11.682
  785   2HD   LYS 102          HD3       LYS 102 -12.563  13.954 -11.156
  786   1HE   LYS 102          HE2       LYS 102 -11.421  16.016 -11.803
  787   2HE   LYS 102          HE3       LYS 102  -9.962  15.125 -12.246
  788   1HZ   LYS 102          HZ1       LYS 102 -11.448  15.754 -14.123
  789   2HZ   LYS 102          HZ2       LYS 102 -11.072  14.173 -14.096
  790   3HZ   LYS 102          HZ3       LYS 102 -12.562  14.691 -13.595
  791    H    HIS 103           H        HIS 103 -10.614  10.849  -6.428
  792    HA   HIS 103           HA       HIS 103 -12.914  11.407  -4.646
  793   1HB   HIS 103          HB2       HIS 103 -11.530   8.860  -5.541
  794   2HB   HIS 103          HB3       HIS 103 -12.678   8.892  -4.209
  795    HD1  HIS 103           HD1      HIS 103 -15.218  10.041  -4.960
  796    HD2  HIS 103           HD2      HIS 103 -12.660   8.382  -7.859
  797    HE1  HIS 103           HE1      HIS 103 -16.670   9.516  -6.986
  798    H    LEU 104           H        LEU 104  -9.419  11.091  -4.424
  799    HA   LEU 104           HA       LEU 104  -9.155  10.326  -1.720
  800   1HB   LEU 104          HB2       LEU 104  -7.484  12.300  -3.317
  801   2HB   LEU 104          HB3       LEU 104  -7.077  11.742  -1.705
  802    HG   LEU 104           HG       LEU 104  -7.221   9.999  -4.189
  803   1HD1  LEU 104          HD11      LEU 104  -4.803   9.818  -3.922
  804   2HD1  LEU 104          HD12      LEU 104  -5.268  11.520  -4.071
  805   3HD1  LEU 104          HD13      LEU 104  -4.862  10.857  -2.476
  806   1HD2  LEU 104          HD21      LEU 104  -6.567   9.231  -1.319
  807   2HD2  LEU 104          HD22      LEU 104  -7.877   8.600  -2.346
  808   3HD2  LEU 104          HD23      LEU 104  -6.207   8.226  -2.742
  Start of MODEL   10
    1   1H    MET   1          H1        MET   1   1.912   1.020  -1.955
    2   2H    MET   1          H2        MET   1   2.560   0.070  -3.137
    3   3H    MET   1          H3        MET   1   1.031  -0.193  -2.629
    4    HA   MET   1           HA       MET   1   3.516  -0.639  -1.138
    5   1HB   MET   1          HB2       MET   1   1.850   0.353   0.372
    6   2HB   MET   1          HB3       MET   1   0.673  -0.885  -0.074
    7   1HG   MET   1          HG2       MET   1   2.221  -2.633   0.844
    8   2HG   MET   1          HG3       MET   1   3.373  -1.363   1.254
    9   1HE   MET   1          HE1       MET   1   0.028  -3.165   2.094
   10   2HE   MET   1          HE2       MET   1  -0.665  -2.174   3.395
   11   3HE   MET   1          HE3       MET   1  -0.640  -1.555   1.734
   12    H    ALA   2           H        ALA   2   0.394  -2.445  -1.414
   13    HA   ALA   2           HA       ALA   2   1.323  -4.225  -3.444
   14   1HB   ALA   2          HB1       ALA   2   1.050  -6.304  -2.080
   15   2HB   ALA   2          HB2       ALA   2   2.433  -5.355  -1.504
   16   3HB   ALA   2          HB3       ALA   2   0.895  -5.327  -0.606
   17    H    ILE   3           H        ILE   3  -0.485  -5.267  -4.314
   18    HA   ILE   3           HA       ILE   3  -3.038  -4.016  -3.720
   19    HB   ILE   3           HB       ILE   3  -2.107  -6.157  -5.684
   20   1HG1  ILE   3          HG12      ILE   3  -2.820  -3.208  -6.047
   21   2HG1  ILE   3          HG13      ILE   3  -1.186  -3.844  -5.979
   22   1HG2  ILE   3          HG21      ILE   3  -4.494  -6.533  -5.283
   23   2HG2  ILE   3          HG22      ILE   3  -4.842  -4.809  -5.507
   24   3HG2  ILE   3          HG23      ILE   3  -4.290  -5.814  -6.866
   25   1HD1  ILE   3          HD11      ILE   3  -1.640  -5.219  -7.991
   26   2HD1  ILE   3          HD12      ILE   3  -3.208  -4.363  -8.162
   27   3HD1  ILE   3          HD13      ILE   3  -1.689  -3.463  -8.237
   28    H    VAL   4           H        VAL   4  -4.893  -5.100  -2.936
   29    HA   VAL   4           HA       VAL   4  -4.273  -7.359  -1.097
   30    HB   VAL   4           HB       VAL   4  -6.396  -5.186  -0.944
   31   1HG1  VAL   4          HG11      VAL   4  -6.579  -5.871   1.463
   32   2HG1  VAL   4          HG12      VAL   4  -7.167  -7.087   0.350
   33   3HG1  VAL   4          HG13      VAL   4  -5.560  -7.278   1.107
   34   1HG2  VAL   4          HG21      VAL   4  -5.002  -4.268   0.938
   35   2HG2  VAL   4          HG22      VAL   4  -3.726  -5.426   0.509
   36   3HG2  VAL   4          HG23      VAL   4  -4.207  -4.147  -0.627
   37    H    LYS   5           H        LYS   5  -6.383  -8.719  -0.701
   38    HA   LYS   5           HA       LYS   5  -7.936  -9.116  -3.192
   39   1HB   LYS   5          HB2       LYS   5  -6.421 -11.358  -1.747
   40   2HB   LYS   5          HB3       LYS   5  -7.564 -11.537  -3.074
   41   1HG   LYS   5          HG2       LYS   5  -5.635 -11.661  -4.274
   42   2HG   LYS   5          HG3       LYS   5  -5.906  -9.925  -4.359
   43   1HD   LYS   5          HD2       LYS   5  -4.308  -9.726  -2.329
   44   2HD   LYS   5          HD3       LYS   5  -3.941 -11.435  -2.587
   45   1HE   LYS   5          HE2       LYS   5  -3.151 -10.971  -4.852
   46   2HE   LYS   5          HE3       LYS   5  -3.710  -9.294  -4.751
   47   1HZ   LYS   5          HZ1       LYS   5  -1.577 -10.414  -3.026
   48   2HZ   LYS   5          HZ2       LYS   5  -1.306  -9.545  -4.377
   49   3HZ   LYS   5          HZ3       LYS   5  -2.050  -8.836  -3.110
   50    H    ALA   6           H        ALA   6 -10.046  -9.713  -2.694
   51    HA   ALA   6           HA       ALA   6 -10.656 -10.564   0.073
   52   1HB   ALA   6          HB1       ALA   6 -11.991  -8.149  -1.213
   53   2HB   ALA   6          HB2       ALA   6 -12.318  -8.814   0.401
   54   3HB   ALA   6          HB3       ALA   6 -10.755  -8.056   0.063
   55    H    THR   7           H        THR   7 -13.086 -10.990   0.304
   56    HA   THR   7           HA       THR   7 -14.388 -11.921  -2.155
   57    HB   THR   7           HB       THR   7 -14.950 -14.061  -0.992
   58    HG1  THR   7           HG1      THR   7 -14.597 -14.148   0.987
   59   1HG2  THR   7          HG21      THR   7 -12.987 -13.987  -2.551
   60   2HG2  THR   7          HG22      THR   7 -11.929 -13.737  -1.143
   61   3HG2  THR   7          HG23      THR   7 -12.876 -15.230  -1.289
   62    H    ASP   8           H        ASP   8 -16.801 -12.524  -1.413
   63    HA   ASP   8           HA       ASP   8 -18.084 -10.277  -0.471
   64   1HB   ASP   8          HB2       ASP   8 -19.158 -12.381  -1.507
   65   2HB   ASP   8          HB3       ASP   8 -19.115 -13.082   0.097
   66    H    GLN   9           H        GLN   9 -16.710 -12.852   1.464
   67    HA   GLN   9           HA       GLN   9 -17.967 -12.381   3.954
   68   1HB   GLN   9          HB2       GLN   9 -15.265 -13.616   3.240
   69   2HB   GLN   9          HB3       GLN   9 -16.011 -13.689   4.834
   70   1HG   GLN   9          HG2       GLN   9 -16.503 -15.774   3.838
   71   2HG   GLN   9          HG3       GLN   9 -18.004 -14.859   3.824
   72   1HE2  GLN   9          HE22      GLN   9 -18.876 -16.173   2.046
   73   2HE2  GLN   9          HE21      GLN   9 -18.254 -15.999   0.423
   74    H    SER  10           H        SER  10 -15.153 -10.808   2.455
   75    HA   SER  10           HA       SER  10 -14.816  -9.138   4.920
   76   1HB   SER  10          HB2       SER  10 -12.555 -10.395   3.316
   77   2HB   SER  10          HB3       SER  10 -12.418  -9.470   4.820
   78    HG   SER  10           HG       SER  10 -12.310 -11.734   5.169
   79    H    PHE  11           H        PHE  11 -15.275  -9.030   1.567
   80    HA   PHE  11           HA       PHE  11 -13.682  -6.900   0.714
   81   1HB   PHE  11          HB2       PHE  11 -15.191  -8.296  -0.683
   82   2HB   PHE  11          HB3       PHE  11 -16.592  -7.531   0.050
   83    HD1  PHE  11           HD1      PHE  11 -13.799  -7.173  -2.318
   84    HD2  PHE  11           HD2      PHE  11 -17.188  -5.173  -0.548
   85    HE1  PHE  11           HE1      PHE  11 -13.749  -5.501  -4.120
   86    HE2  PHE  11           HE2      PHE  11 -17.104  -3.465  -2.349
   87    HZ   PHE  11           HZ       PHE  11 -15.431  -3.647  -4.163
   88    H    SER  12           H        SER  12 -16.635  -6.836   2.740
   89    HA   SER  12           HA       SER  12 -17.086  -4.034   2.604
   90   1HB   SER  12          HB2       SER  12 -18.345  -4.637   4.819
   91   2HB   SER  12          HB3       SER  12 -18.901  -5.354   3.297
   92    HG   SER  12           HG       SER  12 -18.703  -6.911   4.973
   93    H    ALA  13           H        ALA  13 -15.425  -6.081   5.009
   94    HA   ALA  13           HA       ALA  13 -14.589  -3.991   6.718
   95   1HB   ALA  13          HB1       ALA  13 -12.916  -5.604   7.551
   96   2HB   ALA  13          HB2       ALA  13 -14.500  -6.378   7.352
   97   3HB   ALA  13          HB3       ALA  13 -13.212  -6.659   6.156
   98    H    GLU  14           H        GLU  14 -12.970  -5.467   3.858
   99    HA   GLU  14           HA       GLU  14 -10.593  -3.938   4.118
  100   1HB   GLU  14          HB2       GLU  14 -11.862  -5.383   1.759
  101   2HB   GLU  14          HB3       GLU  14 -10.313  -4.555   1.621
  102   1HG   GLU  14          HG2       GLU  14 -10.939  -6.779   3.594
  103   2HG   GLU  14          HG3       GLU  14 -10.073  -6.979   2.068
  104    H    THR  15           H        THR  15 -13.645  -3.244   2.345
  105    HA   THR  15           HA       THR  15 -12.509  -0.879   1.169
  106    HB   THR  15           HB       THR  15 -14.869  -0.513   0.368
  107    HG1  THR  15           HG1      THR  15 -15.239  -3.156   1.299
  108   1HG2  THR  15          HG21      THR  15 -13.353  -3.094  -0.264
  109   2HG2  THR  15          HG22      THR  15 -14.744  -2.501  -1.190
  110   3HG2  THR  15          HG23      THR  15 -13.272  -1.535  -1.098
  111    H    SER  16           H        SER  16 -13.197  -1.374   4.321
  112    HA   SER  16           HA       SER  16 -14.476   1.270   4.745
  113   1HB   SER  16          HB2       SER  16 -14.440  -1.194   6.525
  114   2HB   SER  16          HB3       SER  16 -15.243   0.343   6.893
  115    HG   SER  16           HG       SER  16 -15.853  -1.565   4.911
  116    H    GLU  17           H        GLU  17 -11.624   0.985   4.256
  117    HA   GLU  17           HA       GLU  17 -10.665   2.164   6.835
  118   1HB   GLU  17          HB2       GLU  17  -9.133   0.274   5.007
  119   2HB   GLU  17          HB3       GLU  17  -8.481   1.072   6.445
  120   1HG   GLU  17          HG2       GLU  17 -10.254  -0.085   7.818
  121   2HG   GLU  17          HG3       GLU  17 -10.665  -1.033   6.380
  122    H    GLY  18           H        GLY  18 -11.282   2.990   3.654
  123   1HA   GLY  18          HA2       GLY  18  -9.953   5.424   3.617
  124   2HA   GLY  18          HA3       GLY  18  -8.792   4.226   2.964
  125    H    VAL  19           H        VAL  19  -9.091   5.682   0.996
  126    HA   VAL  19           HA       VAL  19 -11.478   5.110  -0.635
  127    HB   VAL  19           HB       VAL  19  -8.745   6.283  -1.339
  128   1HG1  VAL  19          HG11      VAL  19 -11.260   6.025  -3.062
  129   2HG1  VAL  19          HG12      VAL  19  -9.797   6.936  -3.498
  130   3HG1  VAL  19          HG13      VAL  19  -9.721   5.182  -3.332
  131   1HG2  VAL  19          HG21      VAL  19 -10.038   8.392  -1.614
  132   2HG2  VAL  19          HG22      VAL  19 -11.496   7.570  -1.067
  133   3HG2  VAL  19          HG23      VAL  19 -10.123   7.800   0.051
  134    H    VAL  20           H        VAL  20 -11.637   3.274  -1.907
  135    HA   VAL  20           HA       VAL  20  -9.290   1.479  -2.071
  136    HB   VAL  20           HB       VAL  20 -12.068   0.608  -1.175
  137   1HG1  VAL  20          HG11      VAL  20 -10.885  -1.557  -0.746
  138   2HG1  VAL  20          HG12      VAL  20 -10.919  -1.122  -2.458
  139   3HG1  VAL  20          HG13      VAL  20  -9.433  -0.880  -1.516
  140   1HG2  VAL  20          HG21      VAL  20 -11.280   1.585   0.776
  141   2HG2  VAL  20          HG22      VAL  20 -10.614  -0.037   0.961
  142   3HG2  VAL  20          HG23      VAL  20  -9.574   1.263   0.415
  143    H    LEU  21           H        LEU  21  -8.968   0.960  -4.115
  144    HA   LEU  21           HA       LEU  21 -11.173   1.204  -6.096
  145   1HB   LEU  21          HB2       LEU  21  -9.080   2.403  -6.622
  146   2HB   LEU  21          HB3       LEU  21  -8.142   0.923  -6.386
  147    HG   LEU  21           HG       LEU  21  -9.353  -0.099  -8.355
  148   1HD1  LEU  21          HD11      LEU  21 -11.417   1.200  -8.383
  149   2HD1  LEU  21          HD12      LEU  21 -10.505   2.720  -8.576
  150   3HD1  LEU  21          HD13      LEU  21 -10.533   1.526  -9.879
  151   1HD2  LEU  21          HD21      LEU  21  -8.139   1.216 -10.049
  152   2HD2  LEU  21          HD22      LEU  21  -7.922   2.543  -8.886
  153   3HD2  LEU  21          HD23      LEU  21  -7.146   0.969  -8.606
  154    H    ALA  22           H        ALA  22 -12.306  -0.683  -5.869
  155    HA   ALA  22           HA       ALA  22 -10.916  -3.264  -5.602
  156   1HB   ALA  22          HB1       ALA  22 -12.997  -3.082  -4.416
  157   2HB   ALA  22          HB2       ALA  22 -13.834  -2.491  -5.866
  158   3HB   ALA  22          HB3       ALA  22 -13.250  -4.163  -5.812
  159    H    ASP  23           H        ASP  23 -11.125  -4.864  -7.227
  160    HA   ASP  23           HA       ASP  23 -11.835  -4.017  -9.991
  161   1HB   ASP  23          HB2       ASP  23  -9.449  -3.688  -9.867
  162   2HB   ASP  23          HB3       ASP  23  -9.223  -5.237  -9.060
  163    H    PHE  24           H        PHE  24 -13.575  -5.238 -10.171
  164    HA   PHE  24           HA       PHE  24 -13.730  -8.041  -9.332
  165   1HB   PHE  24          HB2       PHE  24 -15.594  -6.099 -10.719
  166   2HB   PHE  24          HB3       PHE  24 -15.865  -7.820 -10.819
  167    HD1  PHE  24           HD1      PHE  24 -16.014  -4.895  -8.613
  168    HD2  PHE  24           HD2      PHE  24 -16.260  -9.199  -8.762
  169    HE1  PHE  24           HE1      PHE  24 -17.044  -4.928  -6.350
  170    HE2  PHE  24           HE2      PHE  24 -17.328  -9.222  -6.533
  171    HZ   PHE  24           HZ       PHE  24 -17.687  -7.089  -5.310
  172    H    TRP  25           H        TRP  25 -12.694  -9.536 -10.530
  173    HA   TRP  25           HA       TRP  25 -12.399  -9.102 -13.455
  174   1HB   TRP  25          HB2       TRP  25 -10.092  -9.495 -13.431
  175   2HB   TRP  25          HB3       TRP  25 -10.366  -8.283 -12.199
  176    HD1  TRP  25           HD1      TRP  25 -10.530  -9.434  -9.590
  177    HE1  TRP  25           HE1      TRP  25  -9.100 -11.277  -8.545
  178    HE3  TRP  25           HE3      TRP  25  -8.504 -11.392 -13.867
  179    HZ2  TRP  25           HZ2      TRP  25  -7.254 -13.320  -9.448
  180    HZ3  TRP  25           HZ3      TRP  25  -6.872 -13.249 -13.734
  181    HH2  TRP  25           HH2      TRP  25  -6.268 -14.247 -11.545
  182    H    ALA  26           H        ALA  26 -11.351 -11.122 -14.434
  183    HA   ALA  26           HA       ALA  26 -11.650 -13.633 -13.103
  184   1HB   ALA  26          HB1       ALA  26 -13.314 -13.135 -15.623
  185   2HB   ALA  26          HB2       ALA  26 -13.138 -14.673 -14.762
  186   3HB   ALA  26          HB3       ALA  26 -13.989 -13.333 -13.989
  187    HA   PRO  27           HA       PRO  27  -8.087 -13.794 -15.571
  188   1HB   PRO  27          HB2       PRO  27  -7.461 -16.452 -15.765
  189   2HB   PRO  27          HB3       PRO  27  -7.484 -15.577 -14.207
  190   1HG   PRO  27          HG2       PRO  27  -9.658 -17.322 -15.392
  191   2HG   PRO  27          HG3       PRO  27  -9.004 -17.338 -13.722
  192   1HD   PRO  27          HD2       PRO  27 -11.308 -16.005 -14.427
  193   2HD   PRO  27          HD3       PRO  27 -10.212 -15.415 -13.131
  194    H    TRP  28           H        TRP  28 -10.872 -15.444 -16.989
  195    HA   TRP  28           HA       TRP  28  -9.523 -16.106 -19.466
  196   1HB   TRP  28          HB2       TRP  28 -11.903 -16.688 -20.146
  197   2HB   TRP  28          HB3       TRP  28 -11.189 -17.570 -18.815
  198    HD1  TRP  28           HD1      TRP  28 -12.978 -14.165 -18.429
  199    HE1  TRP  28           HE1      TRP  28 -15.036 -14.456 -16.955
  200    HE3  TRP  28           HE3      TRP  28 -12.763 -19.237 -17.752
  201    HZ2  TRP  28           HZ2      TRP  28 -16.372 -16.607 -15.542
  202    HZ3  TRP  28           HZ3      TRP  28 -14.427 -20.376 -16.310
  203    HH2  TRP  28           HH2      TRP  28 -16.232 -19.073 -15.198
  204    H    CYS  29           H        CYS  29 -10.542 -13.105 -18.275
  205    HA   CYS  29           HA       CYS  29 -11.422 -12.130 -20.936
  206   1HB   CYS  29          HB2       CYS  29 -12.886 -11.702 -18.966
  207   2HB   CYS  29          HB3       CYS  29 -11.570 -10.771 -18.229
  208    HG   CYS  29           HG       CYS  29 -13.398  -9.130 -19.232
  209    H    GLY  30           H        GLY  30  -9.643 -11.559 -22.115
  210   1HA   GLY  30          HA2       GLY  30  -7.042 -11.171 -21.361
  211   2HA   GLY  30          HA3       GLY  30  -7.780 -10.410 -22.776
  212    HA   PRO  31           HA       PRO  31  -7.709  -6.320 -21.053
  213   1HB   PRO  31          HB2       PRO  31 -10.586  -6.486 -20.152
  214   2HB   PRO  31          HB3       PRO  31  -9.723  -5.093 -20.882
  215   1HG   PRO  31          HG2       PRO  31 -11.246  -6.695 -22.438
  216   2HG   PRO  31          HG3       PRO  31  -9.614  -6.212 -23.009
  217   1HD   PRO  31          HD2       PRO  31 -10.485  -8.825 -21.784
  218   2HD   PRO  31          HD3       PRO  31  -9.349  -8.531 -23.129
  219    H    CYS  32           H        CYS  32  -9.139  -8.653 -18.665
  220    HA   CYS  32           HA       CYS  32  -8.488  -7.088 -16.342
  221   1HB   CYS  32          HB2       CYS  32  -8.531 -10.134 -16.633
  222   2HB   CYS  32          HB3       CYS  32  -8.580  -9.220 -15.131
  223    HG   CYS  32           HG       CYS  32 -10.831 -10.471 -16.276
  224    H    LYS  33           H        LYS  33  -6.607  -9.393 -18.367
  225    HA   LYS  33           HA       LYS  33  -4.254  -9.346 -16.650
  226   1HB   LYS  33          HB2       LYS  33  -4.445 -10.039 -19.619
  227   2HB   LYS  33          HB3       LYS  33  -3.105 -10.386 -18.531
  228   1HG   LYS  33          HG2       LYS  33  -4.606 -11.864 -17.176
  229   2HG   LYS  33          HG3       LYS  33  -5.913 -11.569 -18.342
  230   1HD   LYS  33          HD2       LYS  33  -4.490 -12.501 -20.162
  231   2HD   LYS  33          HD3       LYS  33  -3.212 -12.840 -18.971
  232   1HE   LYS  33          HE2       LYS  33  -4.804 -14.296 -17.712
  233   2HE   LYS  33          HE3       LYS  33  -6.043 -13.971 -18.929
  234   1HZ   LYS  33          HZ1       LYS  33  -4.618 -15.044 -20.575
  235   2HZ   LYS  33          HZ2       LYS  33  -3.472 -15.349 -19.447
  236   3HZ   LYS  33          HZ3       LYS  33  -4.932 -16.065 -19.346
  237    H    MET  34           H        MET  34  -5.416  -7.496 -19.493
  238    HA   MET  34           HA       MET  34  -3.001  -6.061 -19.933
  239   1HB   MET  34          HB2       MET  34  -5.862  -5.196 -20.524
  240   2HB   MET  34          HB3       MET  34  -4.407  -4.449 -21.180
  241   1HG   MET  34          HG2       MET  34  -3.799  -6.488 -22.353
  242   2HG   MET  34          HG3       MET  34  -5.135  -7.365 -21.614
  243   1HE   MET  34          HE1       MET  34  -6.347  -7.327 -25.279
  244   2HE   MET  34          HE2       MET  34  -4.696  -7.566 -24.664
  245   3HE   MET  34          HE3       MET  34  -6.078  -8.298 -23.815
  246    H    ILE  35           H        ILE  35  -5.848  -5.273 -17.836
  247    HA   ILE  35           HA       ILE  35  -4.650  -2.735 -17.112
  248    HB   ILE  35           HB       ILE  35  -7.108  -3.229 -17.356
  249   1HG1  ILE  35          HG12      ILE  35  -6.179  -1.817 -14.828
  250   2HG1  ILE  35          HG13      ILE  35  -6.207  -1.145 -16.460
  251   1HG2  ILE  35          HG21      ILE  35  -8.380  -4.134 -15.523
  252   2HG2  ILE  35          HG22      ILE  35  -7.151  -5.306 -15.968
  253   3HG2  ILE  35          HG23      ILE  35  -6.927  -4.312 -14.517
  254   1HD1  ILE  35          HD11      ILE  35  -8.722  -1.533 -16.478
  255   2HD1  ILE  35          HD12      ILE  35  -8.595  -1.942 -14.755
  256   3HD1  ILE  35          HD13      ILE  35  -8.135  -0.323 -15.319
  257    H    ALA  36           H        ALA  36  -4.277  -5.980 -15.873
  258    HA   ALA  36           HA       ALA  36  -3.791  -5.506 -13.189
  259   1HB   ALA  36          HB1       ALA  36  -3.899  -7.747 -14.153
  260   2HB   ALA  36          HB2       ALA  36  -2.348  -7.501 -14.977
  261   3HB   ALA  36          HB3       ALA  36  -2.414  -7.536 -13.208
  262    HA   PRO  37           HA       PRO  37   0.789  -4.344 -13.817
  263   1HB   PRO  37          HB2       PRO  37   1.631  -3.273 -16.227
  264   2HB   PRO  37          HB3       PRO  37   1.796  -4.993 -15.759
  265   1HG   PRO  37          HG2       PRO  37  -0.384  -3.716 -17.432
  266   2HG   PRO  37          HG3       PRO  37   0.536  -5.219 -17.769
  267   1HD   PRO  37          HD2       PRO  37  -1.916  -5.323 -16.672
  268   2HD   PRO  37          HD3       PRO  37  -0.634  -6.416 -16.091
  269    H    VAL  38           H        VAL  38  -1.788  -2.532 -15.547
  270    HA   VAL  38           HA       VAL  38  -0.743   0.060 -14.976
  271    HB   VAL  38           HB       VAL  38  -3.682  -0.684 -15.311
  272   1HG1  VAL  38          HG11      VAL  38  -3.173   1.633 -14.528
  273   2HG1  VAL  38          HG12      VAL  38  -2.160   1.855 -15.970
  274   3HG1  VAL  38          HG13      VAL  38  -3.911   1.587 -16.131
  275   1HG2  VAL  38          HG21      VAL  38  -1.614  -0.094 -17.478
  276   2HG2  VAL  38          HG22      VAL  38  -2.496  -1.620 -17.255
  277   3HG2  VAL  38          HG23      VAL  38  -3.372  -0.161 -17.722
  278    H    LEU  39           H        LEU  39  -3.020  -2.140 -13.237
  279    HA   LEU  39           HA       LEU  39  -3.433  -0.387 -11.029
  280   1HB   LEU  39          HB2       LEU  39  -3.661  -3.408 -11.296
  281   2HB   LEU  39          HB3       LEU  39  -4.140  -2.529  -9.850
  282    HG   LEU  39           HG       LEU  39  -5.323  -1.928 -12.595
  283   1HD1  LEU  39          HD11      LEU  39  -6.408  -3.753 -10.411
  284   2HD1  LEU  39          HD12      LEU  39  -7.275  -3.257 -11.883
  285   3HD1  LEU  39          HD13      LEU  39  -5.816  -4.242 -12.022
  286   1HD2  LEU  39          HD21      LEU  39  -7.138  -0.878 -11.300
  287   2HD2  LEU  39          HD22      LEU  39  -6.295  -1.255  -9.782
  288   3HD2  LEU  39          HD23      LEU  39  -5.593  -0.105 -10.940
  289    H    GLU  40           H        GLU  40  -0.914  -2.899 -11.654
  290    HA   GLU  40           HA       GLU  40   0.269  -2.653  -9.057
  291   1HB   GLU  40          HB2       GLU  40   1.404  -3.551 -11.730
  292   2HB   GLU  40          HB3       GLU  40   2.341  -3.540 -10.232
  293   1HG   GLU  40          HG2       GLU  40   0.688  -5.025  -9.152
  294   2HG   GLU  40          HG3       GLU  40  -0.257  -5.083 -10.636
  295    H    GLU  41           H        GLU  41   0.823  -0.793 -12.087
  296    HA   GLU  41           HA       GLU  41   2.924   0.806 -10.964
  297   1HB   GLU  41          HB2       GLU  41   1.047   1.222 -13.316
  298   2HB   GLU  41          HB3       GLU  41   2.255   2.416 -12.821
  299   1HG   GLU  41          HG2       GLU  41   4.054   0.750 -13.063
  300   2HG   GLU  41          HG3       GLU  41   2.892  -0.455 -13.603
  301    H    LEU  42           H        LEU  42  -0.641   1.139 -11.025
  302    HA   LEU  42           HA       LEU  42  -0.714   3.716  -9.838
  303   1HB   LEU  42          HB2       LEU  42  -2.599   2.455 -11.042
  304   2HB   LEU  42          HB3       LEU  42  -2.784   1.507  -9.566
  305    HG   LEU  42           HG       LEU  42  -3.137   3.745  -8.340
  306   1HD1  LEU  42          HD11      LEU  42  -3.958   5.618  -9.733
  307   2HD1  LEU  42          HD12      LEU  42  -2.247   5.295 -10.012
  308   3HD1  LEU  42          HD13      LEU  42  -3.454   4.752 -11.200
  309   1HD2  LEU  42          HD21      LEU  42  -5.513   3.886  -9.087
  310   2HD2  LEU  42          HD22      LEU  42  -5.114   2.837 -10.469
  311   3HD2  LEU  42          HD23      LEU  42  -4.980   2.224  -8.811
  312    H    ASP  43           H        ASP  43  -0.668   0.417  -8.427
  313    HA   ASP  43           HA       ASP  43  -0.945   1.175  -5.705
  314   1HB   ASP  43          HB2       ASP  43  -1.273  -1.113  -6.258
  315   2HB   ASP  43          HB3       ASP  43   0.296  -1.236  -7.056
  316    H    GLN  44           H        GLN  44   1.953   0.770  -7.817
  317    HA   GLN  44           HA       GLN  44   3.857   1.377  -5.782
  318   1HB   GLN  44          HB2       GLN  44   3.872   1.453  -8.807
  319   2HB   GLN  44          HB3       GLN  44   5.290   1.958  -7.876
  320   1HG   GLN  44          HG2       GLN  44   5.545  -0.201  -6.865
  321   2HG   GLN  44          HG3       GLN  44   3.971  -0.750  -7.436
  322   1HE2  GLN  44          HE22      GLN  44   3.654  -1.141  -9.706
  323   2HE2  GLN  44          HE21      GLN  44   5.018  -1.535 -10.752
  324    H    GLU  45           H        GLU  45   2.019   3.438  -8.023
  325    HA   GLU  45           HA       GLU  45   3.431   5.858  -7.443
  326   1HB   GLU  45          HB2       GLU  45   2.103   5.440  -9.492
  327   2HB   GLU  45          HB3       GLU  45   0.625   5.370  -8.543
  328   1HG   GLU  45          HG2       GLU  45   0.738   7.511  -9.597
  329   2HG   GLU  45          HG3       GLU  45   0.950   7.756  -7.872
  330    H    MET  46           H        MET  46   0.170   4.720  -6.371
  331    HA   MET  46           HA       MET  46   0.322   6.491  -3.998
  332   1HB   MET  46          HB2       MET  46  -1.878   7.366  -4.655
  333   2HB   MET  46          HB3       MET  46  -0.622   7.670  -5.864
  334   1HG   MET  46          HG2       MET  46  -1.484   6.051  -7.364
  335   2HG   MET  46          HG3       MET  46  -2.546   5.358  -6.143
  336   1HE   MET  46          HE1       MET  46  -2.252   9.340  -6.506
  337   2HE   MET  46          HE2       MET  46  -1.808   8.741  -8.123
  338   3HE   MET  46          HE3       MET  46  -3.338   9.612  -7.882
  339    H    GLY  47           H        GLY  47   0.207   3.375  -4.506
  340   1HA   GLY  47          HA2       GLY  47  -2.231   2.462  -3.252
  341   2HA   GLY  47          HA3       GLY  47  -0.776   1.530  -3.553
  342    H    ASP  48           H        ASP  48  -1.612   4.353  -1.658
  343    HA   ASP  48           HA       ASP  48  -1.214   3.204   0.934
  344   1HB   ASP  48          HB2       ASP  48   1.131   3.821   0.519
  345   2HB   ASP  48          HB3       ASP  48   0.634   5.421  -0.049
  346    H    LYS  49           H        LYS  49  -1.547   6.115  -1.155
  347    HA   LYS  49           HA       LYS  49  -3.303   7.588   0.557
  348   1HB   LYS  49          HB2       LYS  49  -3.029   7.616  -2.482
  349   2HB   LYS  49          HB3       LYS  49  -3.894   8.812  -1.511
  350   1HG   LYS  49          HG2       LYS  49  -1.751   9.389  -0.349
  351   2HG   LYS  49          HG3       LYS  49  -0.894   8.263  -1.421
  352   1HD   LYS  49          HD2       LYS  49  -1.667   9.578  -3.398
  353   2HD   LYS  49          HD3       LYS  49  -2.470  10.723  -2.298
  354   1HE   LYS  49          HE2       LYS  49  -0.271  11.192  -1.212
  355   2HE   LYS  49          HE3       LYS  49   0.516  10.086  -2.344
  356   1HZ   LYS  49          HZ1       LYS  49   0.715  12.380  -3.057
  357   2HZ   LYS  49          HZ2       LYS  49  -0.165  11.559  -4.153
  358   3HZ   LYS  49          HZ3       LYS  49  -0.899  12.579  -3.103
  359    H    LEU  50           H        LEU  50  -3.755   5.034  -1.875
  360    HA   LEU  50           HA       LEU  50  -6.407   4.556  -0.752
  361   1HB   LEU  50          HB2       LEU  50  -7.489   4.380  -2.713
  362   2HB   LEU  50          HB3       LEU  50  -6.359   5.641  -3.158
  363    HG   LEU  50           HG       LEU  50  -5.916   2.679  -3.831
  364   1HD1  LEU  50          HD11      LEU  50  -6.791   3.247  -6.065
  365   2HD1  LEU  50          HD12      LEU  50  -8.005   3.323  -4.774
  366   3HD1  LEU  50          HD13      LEU  50  -7.320   4.818  -5.414
  367   1HD2  LEU  50          HD21      LEU  50  -4.470   3.621  -5.627
  368   2HD2  LEU  50          HD22      LEU  50  -4.651   5.227  -4.880
  369   3HD2  LEU  50          HD23      LEU  50  -3.880   3.899  -3.991
  370    H    LYS  51           H        LYS  51  -7.129   2.318  -1.177
  371    HA   LYS  51           HA       LYS  51  -4.883   0.333  -1.178
  372   1HB   LYS  51          HB2       LYS  51  -6.431   0.462   0.806
  373   2HB   LYS  51          HB3       LYS  51  -7.786   0.122  -0.269
  374   1HG   LYS  51          HG2       LYS  51  -6.691  -2.102  -0.821
  375   2HG   LYS  51          HG3       LYS  51  -5.483  -1.744   0.420
  376   1HD   LYS  51          HD2       LYS  51  -8.505  -1.973   0.828
  377   2HD   LYS  51          HD3       LYS  51  -7.310  -3.207   1.231
  378   1HE   LYS  51          HE2       LYS  51  -6.257  -1.642   2.869
  379   2HE   LYS  51          HE3       LYS  51  -7.514  -0.433   2.521
  380   1HZ   LYS  51          HZ1       LYS  51  -8.099  -3.175   3.489
  381   2HZ   LYS  51          HZ2       LYS  51  -7.965  -1.895   4.500
  382   3HZ   LYS  51          HZ3       LYS  51  -9.154  -1.924   3.355
  383    H    ILE  52           H        ILE  52  -5.246  -1.571  -2.636
  384    HA   ILE  52           HA       ILE  52  -7.363  -1.180  -4.676
  385    HB   ILE  52           HB       ILE  52  -4.589  -2.292  -5.205
  386   1HG1  ILE  52          HG12      ILE  52  -5.814   0.407  -5.892
  387   2HG1  ILE  52          HG13      ILE  52  -4.332   0.075  -4.988
  388   1HG2  ILE  52          HG21      ILE  52  -6.403  -3.382  -6.544
  389   2HG2  ILE  52          HG22      ILE  52  -6.861  -1.785  -7.174
  390   3HG2  ILE  52          HG23      ILE  52  -5.271  -2.499  -7.539
  391   1HD1  ILE  52          HD11      ILE  52  -3.346  -0.876  -7.128
  392   2HD1  ILE  52          HD12      ILE  52  -4.757  -0.205  -7.975
  393   3HD1  ILE  52          HD13      ILE  52  -3.652   0.873  -7.106
  394    H    VAL  53           H        VAL  53  -8.612  -3.095  -4.956
  395    HA   VAL  53           HA       VAL  53  -7.722  -5.478  -3.382
  396    HB   VAL  53           HB       VAL  53 -10.490  -4.206  -3.297
  397   1HG1  VAL  53          HG11      VAL  53 -11.026  -5.897  -1.586
  398   2HG1  VAL  53          HG12      VAL  53 -10.696  -6.643  -3.147
  399   3HG1  VAL  53          HG13      VAL  53  -9.459  -6.692  -1.871
  400   1HG2  VAL  53          HG21      VAL  53  -8.792  -3.023  -1.860
  401   2HG2  VAL  53          HG22      VAL  53 -10.114  -3.771  -0.952
  402   3HG2  VAL  53          HG23      VAL  53  -8.520  -4.545  -0.998
  403    H    LYS  54           H        LYS  54  -7.607  -7.169  -4.778
  404    HA   LYS  54           HA       LYS  54  -9.250  -7.311  -7.222
  405   1HB   LYS  54          HB2       LYS  54  -7.451  -9.318  -5.779
  406   2HB   LYS  54          HB3       LYS  54  -8.222  -9.633  -7.324
  407   1HG   LYS  54          HG2       LYS  54  -6.192  -7.418  -6.861
  408   2HG   LYS  54          HG3       LYS  54  -5.859  -9.006  -7.571
  409   1HD   LYS  54          HD2       LYS  54  -7.592  -8.521  -9.337
  410   2HD   LYS  54          HD3       LYS  54  -7.722  -6.865  -8.697
  411   1HE   LYS  54          HE2       LYS  54  -5.494  -6.338  -9.243
  412   2HE   LYS  54          HE3       LYS  54  -5.060  -8.049  -9.475
  413   1HZ   LYS  54          HZ1       LYS  54  -5.413  -6.793 -11.593
  414   2HZ   LYS  54          HZ2       LYS  54  -6.356  -8.120 -11.458
  415   3HZ   LYS  54          HZ3       LYS  54  -7.020  -6.651 -11.212
  416    H    ILE  55           H        ILE  55 -11.116  -8.530  -7.511
  417    HA   ILE  55           HA       ILE  55 -11.741 -10.610  -5.546
  418    HB   ILE  55           HB       ILE  55 -12.756  -8.760  -4.466
  419   1HG1  ILE  55          HG12      ILE  55 -15.039 -10.158  -5.887
  420   2HG1  ILE  55          HG13      ILE  55 -14.002 -10.943  -4.690
  421   1HG2  ILE  55          HG21      ILE  55 -14.044  -8.010  -7.104
  422   2HG2  ILE  55          HG22      ILE  55 -14.486  -7.297  -5.549
  423   3HG2  ILE  55          HG23      ILE  55 -12.861  -7.068  -6.184
  424   1HD1  ILE  55          HD11      ILE  55 -14.635  -9.290  -2.983
  425   2HD1  ILE  55          HD12      ILE  55 -15.738  -8.506  -4.141
  426   3HD1  ILE  55          HD13      ILE  55 -16.036 -10.163  -3.608
  427    H    ASP  56           H        ASP  56 -12.962 -12.293  -6.483
  428    HA   ASP  56           HA       ASP  56 -12.930 -12.253  -9.451
  429   1HB   ASP  56          HB2       ASP  56 -11.657 -13.997  -8.347
  430   2HB   ASP  56          HB3       ASP  56 -13.067 -14.496  -7.408
  431    H    VAL  57           H        VAL  57 -14.836 -12.245 -10.636
  432    HA   VAL  57           HA       VAL  57 -17.273 -11.774  -9.239
  433    HB   VAL  57           HB       VAL  57 -18.341 -11.839 -11.510
  434   1HG1  VAL  57          HG11      VAL  57 -17.448  -9.775 -10.580
  435   2HG1  VAL  57          HG12      VAL  57 -15.847 -10.123 -11.288
  436   3HG1  VAL  57          HG13      VAL  57 -17.265  -9.820 -12.324
  437   1HG2  VAL  57          HG21      VAL  57 -15.524 -12.338 -12.558
  438   2HG2  VAL  57          HG22      VAL  57 -16.856 -13.509 -12.611
  439   3HG2  VAL  57          HG23      VAL  57 -16.978 -12.001 -13.517
  440    H    ASP  58           H        ASP  58 -15.971 -14.895 -10.266
  441    HA   ASP  58           HA       ASP  58 -18.689 -16.054 -10.533
  442   1HB   ASP  58          HB2       ASP  58 -16.959 -16.890 -12.040
  443   2HB   ASP  58          HB3       ASP  58 -15.929 -17.326 -10.672
  444    H    GLU  59           H        GLU  59 -15.852 -16.104  -8.371
  445    HA   GLU  59           HA       GLU  59 -17.091 -17.802  -6.374
  446   1HB   GLU  59          HB2       GLU  59 -14.694 -15.923  -6.295
  447   2HB   GLU  59          HB3       GLU  59 -15.196 -16.938  -4.937
  448   1HG   GLU  59          HG2       GLU  59 -14.962 -18.962  -6.380
  449   2HG   GLU  59          HG3       GLU  59 -14.360 -17.947  -7.690
  450    H    ASN  60           H        ASN  60 -17.213 -14.359  -7.069
  451    HA   ASN  60           HA       ASN  60 -18.674 -13.842  -4.510
  452   1HB   ASN  60          HB2       ASN  60 -16.774 -11.925  -5.897
  453   2HB   ASN  60          HB3       ASN  60 -17.624 -11.691  -4.385
  454   1HD2  ASN  60          HD22      ASN  60 -14.972 -13.355  -5.926
  455   2HD2  ASN  60          HD21      ASN  60 -14.226 -13.976  -4.450
  456    H    GLN  61           H        GLN  61 -19.960 -14.672  -6.669
  457    HA   GLN  61           HA       GLN  61 -21.039 -12.854  -8.496
  458   1HB   GLN  61          HB2       GLN  61 -22.777 -14.478  -8.783
  459   2HB   GLN  61          HB3       GLN  61 -21.227 -15.283  -8.619
  460   1HG   GLN  61          HG2       GLN  61 -23.479 -15.153  -6.603
  461   2HG   GLN  61          HG3       GLN  61 -22.890 -16.569  -7.468
  462   1HE2  GLN  61          HE22      GLN  61 -20.295 -17.010  -6.955
  463   2HE2  GLN  61          HE21      GLN  61 -19.893 -16.796  -5.262
  464    H    GLU  62           H        GLU  62 -21.988 -13.522  -5.097
  465    HA   GLU  62           HA       GLU  62 -24.252 -11.812  -5.042
  466   1HB   GLU  62          HB2       GLU  62 -22.315 -12.951  -3.004
  467   2HB   GLU  62          HB3       GLU  62 -23.549 -11.793  -2.492
  468   1HG   GLU  62          HG2       GLU  62 -24.174 -14.394  -3.956
  469   2HG   GLU  62          HG3       GLU  62 -24.192 -14.208  -2.206
  470    H    THR  63           H        THR  63 -20.744 -11.151  -4.273
  471    HA   THR  63           HA       THR  63 -21.299  -8.510  -3.441
  472    HB   THR  63           HB       THR  63 -18.631  -9.251  -4.534
  473    HG1  THR  63           HG1      THR  63 -19.737 -10.250  -2.117
  474   1HG2  THR  63          HG21      THR  63 -18.966  -7.069  -3.354
  475   2HG2  THR  63          HG22      THR  63 -19.409  -7.957  -1.887
  476   3HG2  THR  63          HG23      THR  63 -17.775  -8.113  -2.562
  477    H    ALA  64           H        ALA  64 -20.203  -9.827  -6.628
  478    HA   ALA  64           HA       ALA  64 -19.973  -7.252  -7.828
  479   1HB   ALA  64          HB1       ALA  64 -19.989  -8.475  -9.938
  480   2HB   ALA  64          HB2       ALA  64 -19.095  -9.442  -8.760
  481   3HB   ALA  64          HB3       ALA  64 -20.762  -9.886  -9.182
  482    H    GLY  65           H        GLY  65 -22.747  -9.558  -7.622
  483   1HA   GLY  65          HA2       GLY  65 -24.715  -8.044  -8.923
  484   2HA   GLY  65          HA3       GLY  65 -24.987  -9.211  -7.616
  485    H    LYS  66           H        LYS  66 -23.332  -7.621  -5.689
  486    HA   LYS  66           HA       LYS  66 -25.324  -6.062  -4.465
  487   1HB   LYS  66          HB2       LYS  66 -23.039  -7.163  -3.640
  488   2HB   LYS  66          HB3       LYS  66 -22.385  -5.560  -3.946
  489   1HG   LYS  66          HG2       LYS  66 -24.036  -4.588  -2.372
  490   2HG   LYS  66          HG3       LYS  66 -24.728  -6.193  -2.096
  491   1HD   LYS  66          HD2       LYS  66 -21.876  -5.333  -1.448
  492   2HD   LYS  66          HD3       LYS  66 -23.198  -5.513  -0.281
  493   1HE   LYS  66          HE2       LYS  66 -23.365  -7.972  -0.987
  494   2HE   LYS  66          HE3       LYS  66 -21.890  -7.727  -1.920
  495   1HZ   LYS  66          HZ1       LYS  66 -22.131  -7.612   0.999
  496   2HZ   LYS  66          HZ2       LYS  66 -21.277  -8.674   0.069
  497   3HZ   LYS  66          HZ3       LYS  66 -20.793  -7.110   0.193
  498    H    TYR  67           H        TYR  67 -23.126  -5.190  -7.050
  499    HA   TYR  67           HA       TYR  67 -24.041  -2.357  -6.860
  500   1HB   TYR  67          HB2       TYR  67 -21.447  -3.131  -8.163
  501   2HB   TYR  67          HB3       TYR  67 -21.933  -1.583  -7.493
  502    HD1  TYR  67           HD1      TYR  67 -20.105  -4.600  -6.970
  503    HD2  TYR  67           HD2      TYR  67 -22.285  -1.566  -4.811
  504    HE1  TYR  67           HE1      TYR  67 -19.094  -5.376  -4.901
  505    HE2  TYR  67           HE2      TYR  67 -21.218  -2.296  -2.706
  506    HH   TYR  67           HH       TYR  67 -18.928  -5.046  -2.555
  507    H    GLY  68           H        GLY  68 -24.936  -4.984  -8.404
  508   1HA   GLY  68          HA2       GLY  68 -25.970  -5.374 -10.389
  509   2HA   GLY  68          HA3       GLY  68 -25.795  -3.657 -10.789
  510    H    VAL  69           H        VAL  69 -23.074  -5.889 -10.088
  511    HA   VAL  69           HA       VAL  69 -22.070  -5.557 -12.890
  512    HB   VAL  69           HB       VAL  69 -20.626  -5.902 -10.220
  513   1HG1  VAL  69          HG11      VAL  69 -19.441  -5.631 -13.016
  514   2HG1  VAL  69          HG12      VAL  69 -18.540  -5.598 -11.482
  515   3HG1  VAL  69          HG13      VAL  69 -19.360  -7.071 -11.972
  516   1HG2  VAL  69          HG21      VAL  69 -19.712  -3.639 -10.732
  517   2HG2  VAL  69          HG22      VAL  69 -20.767  -3.540 -12.156
  518   3HG2  VAL  69          HG23      VAL  69 -21.460  -3.605 -10.528
  519    H    MET  70           H        MET  70 -21.660  -7.371 -14.032
  520    HA   MET  70           HA       MET  70 -20.889  -9.796 -12.713
  521   1HB   MET  70          HB2       MET  70 -23.523  -9.844 -12.872
  522   2HB   MET  70          HB3       MET  70 -23.256 -10.152 -14.587
  523   1HG   MET  70          HG2       MET  70 -23.506 -12.256 -13.383
  524   2HG   MET  70          HG3       MET  70 -21.850 -12.131 -13.964
  525   1HE   MET  70          HE1       MET  70 -20.727 -13.880 -12.479
  526   2HE   MET  70          HE2       MET  70 -21.075 -14.102 -10.754
  527   3HE   MET  70          HE3       MET  70 -22.360 -14.365 -11.955
  528    H    SER  71           H        SER  71 -19.695  -7.791 -14.367
  529    HA   SER  71           HA       SER  71 -18.829  -9.333 -16.699
  530   1HB   SER  71          HB2       SER  71 -19.581  -6.378 -16.782
  531   2HB   SER  71          HB3       SER  71 -18.980  -7.354 -18.132
  532    HG   SER  71           HG       SER  71 -21.260  -7.091 -18.180
  533    H    ILE  72           H        ILE  72 -16.657  -8.454 -17.467
  534    HA   ILE  72           HA       ILE  72 -15.173  -7.097 -15.321
  535    HB   ILE  72           HB       ILE  72 -13.520  -8.850 -15.232
  536   1HG1  ILE  72          HG12      ILE  72 -13.887  -9.907 -17.463
  537   2HG1  ILE  72          HG13      ILE  72 -13.548 -10.951 -16.115
  538   1HG2  ILE  72          HG21      ILE  72 -15.280  -8.798 -13.549
  539   2HG2  ILE  72          HG22      ILE  72 -16.267  -9.907 -14.510
  540   3HG2  ILE  72          HG23      ILE  72 -14.725 -10.457 -13.850
  541   1HD1  ILE  72          HD11      ILE  72 -15.901 -11.666 -16.001
  542   2HD1  ILE  72          HD12      ILE  72 -16.307 -10.568 -17.346
  543   3HD1  ILE  72          HD13      ILE  72 -15.211 -11.931 -17.607
  544    HA   PRO  73           HA       PRO  73 -12.859  -6.801 -14.930
  545   1HB   PRO  73          HB2       PRO  73 -11.222  -4.625 -15.224
  546   2HB   PRO  73          HB3       PRO  73 -10.702  -6.302 -15.549
  547   1HG   PRO  73          HG2       PRO  73 -11.588  -4.199 -17.525
  548   2HG   PRO  73          HG3       PRO  73 -10.225  -5.355 -17.663
  549   1HD   PRO  73          HD2       PRO  73 -12.668  -5.759 -18.874
  550   2HD   PRO  73          HD3       PRO  73 -11.654  -7.108 -18.282
  551    H    THR  74           H        THR  74 -13.886  -5.517 -13.412
  552    HA   THR  74           HA       THR  74 -15.110  -2.971 -14.316
  553    HB   THR  74           HB       THR  74 -16.520  -5.111 -12.687
  554    HG1  THR  74           HG1      THR  74 -17.182  -5.655 -14.562
  555   1HG2  THR  74          HG21      THR  74 -17.152  -2.983 -11.770
  556   2HG2  THR  74          HG22      THR  74 -17.207  -2.219 -13.362
  557   3HG2  THR  74          HG23      THR  74 -18.442  -3.406 -12.913
  558    H    LEU  75           H        LEU  75 -14.290  -1.449 -13.186
  559    HA   LEU  75           HA       LEU  75 -12.841  -1.977 -10.661
  560   1HB   LEU  75          HB2       LEU  75 -13.121   0.531 -12.366
  561   2HB   LEU  75          HB3       LEU  75 -12.179   0.402 -10.887
  562    HG   LEU  75           HG       LEU  75 -11.651  -1.136 -13.472
  563   1HD1  LEU  75          HD11      LEU  75 -10.119   1.150 -12.174
  564   2HD1  LEU  75          HD12      LEU  75  -9.670   0.288 -13.657
  565   3HD1  LEU  75          HD13      LEU  75 -11.140   1.270 -13.624
  566   1HD2  LEU  75          HD21      LEU  75  -9.497  -1.793 -12.403
  567   2HD2  LEU  75          HD22      LEU  75 -10.076  -1.115 -10.861
  568   3HD2  LEU  75          HD23      LEU  75 -10.900  -2.501 -11.617
  569    H    LEU  76           H        LEU  76 -13.522  -1.034  -8.774
  570    HA   LEU  76           HA       LEU  76 -16.213   0.254  -8.667
  571   1HB   LEU  76          HB2       LEU  76 -15.374  -2.391  -7.666
  572   2HB   LEU  76          HB3       LEU  76 -15.717  -1.324  -6.328
  573    HG   LEU  76           HG       LEU  76 -17.618  -2.714  -6.927
  574   1HD1  LEU  76          HD11      LEU  76 -19.326  -0.953  -6.957
  575   2HD1  LEU  76          HD12      LEU  76 -18.024  -0.599  -5.814
  576   3HD1  LEU  76          HD13      LEU  76 -18.092   0.247  -7.375
  577   1HD2  LEU  76          HD21      LEU  76 -17.668  -1.188  -9.552
  578   2HD2  LEU  76          HD22      LEU  76 -17.269  -2.903  -9.346
  579   3HD2  LEU  76          HD23      LEU  76 -18.904  -2.318  -8.974
  580    H    VAL  77           H        VAL  77 -16.016   2.159  -7.442
  581    HA   VAL  77           HA       VAL  77 -13.415   2.490  -5.994
  582    HB   VAL  77           HB       VAL  77 -15.107   4.759  -7.061
  583   1HG1  VAL  77          HG11      VAL  77 -12.996   6.018  -6.786
  584   2HG1  VAL  77          HG12      VAL  77 -13.469   5.259  -5.261
  585   3HG1  VAL  77          HG13      VAL  77 -12.171   4.546  -6.241
  586   1HG2  VAL  77          HG21      VAL  77 -13.469   4.993  -8.921
  587   2HG2  VAL  77          HG22      VAL  77 -12.777   3.416  -8.489
  588   3HG2  VAL  77          HG23      VAL  77 -14.448   3.532  -9.075
  589    H    LEU  78           H        LEU  78 -13.692   2.503  -3.886
  590    HA   LEU  78           HA       LEU  78 -16.322   3.311  -2.715
  591   1HB   LEU  78          HB2       LEU  78 -14.550   1.010  -1.779
  592   2HB   LEU  78          HB3       LEU  78 -15.984   1.625  -0.974
  593    HG   LEU  78           HG       LEU  78 -17.040   1.087  -3.455
  594   1HD1  LEU  78          HD11      LEU  78 -16.279  -1.132  -4.153
  595   2HD1  LEU  78          HD12      LEU  78 -15.011   0.090  -4.353
  596   3HD1  LEU  78          HD13      LEU  78 -14.933  -1.049  -3.001
  597   1HD2  LEU  78          HD21      LEU  78 -16.814  -0.935  -1.202
  598   2HD2  LEU  78          HD22      LEU  78 -17.992   0.392  -1.293
  599   3HD2  LEU  78          HD23      LEU  78 -18.038  -0.896  -2.497
  600    H    LYS  79           H        LYS  79 -16.101   4.140  -0.515
  601    HA   LYS  79           HA       LYS  79 -13.383   4.846   0.356
  602   1HB   LYS  79          HB2       LYS  79 -14.147   6.731  -1.089
  603   2HB   LYS  79          HB3       LYS  79 -15.570   6.940  -0.055
  604   1HG   LYS  79          HG2       LYS  79 -14.119   7.490   1.873
  605   2HG   LYS  79          HG3       LYS  79 -12.679   7.131   0.908
  606   1HD   LYS  79          HD2       LYS  79 -13.490   8.961  -0.716
  607   2HD   LYS  79          HD3       LYS  79 -14.664   9.418   0.532
  608   1HE   LYS  79          HE2       LYS  79 -12.822   9.878   2.122
  609   2HE   LYS  79          HE3       LYS  79 -11.646   9.252   0.956
  610   1HZ   LYS  79          HZ1       LYS  79 -13.196  11.746   0.715
  611   2HZ   LYS  79          HZ2       LYS  79 -11.551  11.547   0.677
  612   3HZ   LYS  79          HZ3       LYS  79 -12.431  11.041  -0.567
  613    H    ASP  80           H        ASP  80 -13.284   4.364   2.460
  614    HA   ASP  80           HA       ASP  80 -13.893   3.711   4.519
  615   1HB   ASP  80          HB2       ASP  80 -13.742   6.175   4.590
  616   2HB   ASP  80          HB3       ASP  80 -15.487   6.289   4.351
  617    H    GLY  81           H        GLY  81 -15.491   2.337   2.638
  618   1HA   GLY  81          HA2       GLY  81 -16.828   0.562   3.243
  619   2HA   GLY  81          HA3       GLY  81 -17.657   1.526   4.464
  620    H    GLU  82           H        GLU  82 -17.698   3.433   1.618
  621    HA   GLU  82           HA       GLU  82 -20.167   2.102   0.633
  622   1HB   GLU  82          HB2       GLU  82 -21.337   4.115   0.644
  623   2HB   GLU  82          HB3       GLU  82 -20.525   4.022   2.215
  624   1HG   GLU  82          HG2       GLU  82 -18.796   5.612   1.409
  625   2HG   GLU  82          HG3       GLU  82 -19.630   5.733  -0.142
  626    H    VAL  83           H        VAL  83 -20.593   2.316  -1.572
  627    HA   VAL  83           HA       VAL  83 -18.301   2.716  -3.315
  628    HB   VAL  83           HB       VAL  83 -19.893   0.925  -3.676
  629   1HG1  VAL  83          HG11      VAL  83 -22.147   1.289  -4.546
  630   2HG1  VAL  83          HG12      VAL  83 -22.003   1.922  -2.906
  631   3HG1  VAL  83          HG13      VAL  83 -21.993   3.039  -4.290
  632   1HG2  VAL  83          HG21      VAL  83 -20.207   1.203  -6.064
  633   2HG2  VAL  83          HG22      VAL  83 -19.952   2.952  -5.939
  634   3HG2  VAL  83          HG23      VAL  83 -18.628   1.823  -5.556
  635    H    VAL  84           H        VAL  84 -17.858   4.275  -4.619
  636    HA   VAL  84           HA       VAL  84 -19.519   6.719  -4.644
  637    HB   VAL  84           HB       VAL  84 -17.477   8.076  -4.502
  638   1HG1  VAL  84          HG11      VAL  84 -18.817   7.593  -2.460
  639   2HG1  VAL  84          HG12      VAL  84 -17.740   6.231  -2.088
  640   3HG1  VAL  84          HG13      VAL  84 -17.107   7.886  -2.111
  641   1HG2  VAL  84          HG21      VAL  84 -15.992   5.531  -3.721
  642   2HG2  VAL  84          HG22      VAL  84 -15.792   6.399  -5.263
  643   3HG2  VAL  84          HG23      VAL  84 -15.346   7.177  -3.740
  644    H    GLU  85           H        GLU  85 -17.662   4.330  -6.487
  645    HA   GLU  85           HA       GLU  85 -18.930   5.481  -8.814
  646   1HB   GLU  85          HB2       GLU  85 -16.201   6.314  -8.317
  647   2HB   GLU  85          HB3       GLU  85 -16.188   5.268  -9.721
  648   1HG   GLU  85          HG2       GLU  85 -17.985   7.714  -9.407
  649   2HG   GLU  85          HG3       GLU  85 -16.429   7.699 -10.214
  650    H    THR  86           H        THR  86 -18.444   4.163 -10.837
  651    HA   THR  86           HA       THR  86 -17.165   1.551 -10.461
  652    HB   THR  86           HB       THR  86 -20.093   1.919 -11.232
  653    HG1  THR  86           HG1      THR  86 -19.065   1.609  -8.971
  654   1HG2  THR  86          HG21      THR  86 -19.355   0.262 -12.763
  655   2HG2  THR  86          HG22      THR  86 -18.349  -0.542 -11.552
  656   3HG2  THR  86          HG23      THR  86 -20.123  -0.614 -11.432
  657    H    SER  87           H        SER  87 -16.272   0.840 -12.428
  658    HA   SER  87           HA       SER  87 -16.825   2.322 -14.936
  659   1HB   SER  87          HB2       SER  87 -14.031   2.068 -13.735
  660   2HB   SER  87          HB3       SER  87 -14.465   2.852 -15.259
  661    HG   SER  87           HG       SER  87 -14.152   4.356 -13.569
  662    H    VAL  88           H        VAL  88 -16.001   1.080 -16.834
  663    HA   VAL  88           HA       VAL  88 -15.416  -1.775 -16.177
  664    HB   VAL  88           HB       VAL  88 -17.399  -0.751 -18.247
  665   1HG1  VAL  88          HG11      VAL  88 -16.455  -2.925 -18.890
  666   2HG1  VAL  88          HG12      VAL  88 -16.785  -3.577 -17.267
  667   3HG1  VAL  88          HG13      VAL  88 -18.118  -3.139 -18.357
  668   1HG2  VAL  88          HG21      VAL  88 -19.171  -1.715 -16.801
  669   2HG2  VAL  88          HG22      VAL  88 -17.961  -2.046 -15.547
  670   3HG2  VAL  88          HG23      VAL  88 -18.357  -0.373 -16.007
  671    H    GLY  89           H        GLY  89 -14.122  -2.867 -17.658
  672   1HA   GLY  89          HA2       GLY  89 -12.858  -3.226 -19.557
  673   2HA   GLY  89          HA3       GLY  89 -13.324  -1.647 -20.194
  674    H    PHE  90           H        PHE  90 -10.875  -2.067 -20.692
  675    HA   PHE  90           HA       PHE  90  -8.882  -1.607 -18.701
  676   1HB   PHE  90          HB2       PHE  90  -8.426  -2.604 -20.899
  677   2HB   PHE  90          HB3       PHE  90  -8.921  -1.122 -21.707
  678    HD1  PHE  90           HD1      PHE  90  -7.439   0.816 -21.837
  679    HD2  PHE  90           HD2      PHE  90  -6.281  -2.711 -19.635
  680    HE1  PHE  90           HE1      PHE  90  -5.119   1.679 -21.673
  681    HE2  PHE  90           HE2      PHE  90  -3.954  -1.847 -19.498
  682    HZ   PHE  90           HZ       PHE  90  -3.373   0.348 -20.501
  683    H    LYS  91           H        LYS  91  -7.686   0.310 -18.236
  684    HA   LYS  91           HA       LYS  91  -8.386   2.810 -19.478
  685   1HB   LYS  91          HB2       LYS  91  -8.949   2.322 -16.524
  686   2HB   LYS  91          HB3       LYS  91  -8.287   3.869 -17.027
  687   1HG   LYS  91          HG2       LYS  91 -10.385   4.527 -17.338
  688   2HG   LYS  91          HG3       LYS  91 -10.282   3.667 -18.862
  689   1HD   LYS  91          HD2       LYS  91 -11.157   1.590 -17.432
  690   2HD   LYS  91          HD3       LYS  91 -11.570   2.830 -16.244
  691   1HE   LYS  91          HE2       LYS  91 -13.556   2.727 -17.474
  692   2HE   LYS  91          HE3       LYS  91 -12.710   4.060 -18.267
  693   1HZ   LYS  91          HZ1       LYS  91 -13.225   1.350 -19.212
  694   2HZ   LYS  91          HZ2       LYS  91 -13.338   2.752 -20.035
  695   3HZ   LYS  91          HZ3       LYS  91 -11.854   2.076 -19.766
  696    HA   PRO  92           HA       PRO  92  -3.977   3.034 -18.747
  697   1HB   PRO  92          HB2       PRO  92  -3.466   5.653 -19.290
  698   2HB   PRO  92          HB3       PRO  92  -4.005   4.510 -20.562
  699   1HG   PRO  92          HG2       PRO  92  -5.702   6.472 -18.992
  700   2HG   PRO  92          HG3       PRO  92  -5.652   6.225 -20.767
  701   1HD   PRO  92          HD2       PRO  92  -7.527   5.023 -19.163
  702   2HD   PRO  92          HD3       PRO  92  -6.868   4.219 -20.619
  703    H    LYS  93           H        LYS  93  -2.423   3.995 -17.217
  704    HA   LYS  93           HA       LYS  93  -3.365   4.220 -14.580
  705   1HB   LYS  93          HB2       LYS  93  -1.014   3.666 -15.149
  706   2HB   LYS  93          HB3       LYS  93  -0.788   5.293 -15.797
  707   1HG   LYS  93          HG2       LYS  93  -1.275   6.190 -13.453
  708   2HG   LYS  93          HG3       LYS  93  -1.248   4.518 -12.868
  709   1HD   LYS  93          HD2       LYS  93   1.072   4.278 -13.513
  710   2HD   LYS  93          HD3       LYS  93   1.029   5.765 -14.481
  711   1HE   LYS  93          HE2       LYS  93   0.590   7.096 -12.426
  712   2HE   LYS  93          HE3       LYS  93   0.753   5.626 -11.452
  713   1HZ   LYS  93          HZ1       LYS  93   2.829   6.915 -11.547
  714   2HZ   LYS  93          HZ2       LYS  93   3.051   5.441 -12.231
  715   3HZ   LYS  93          HZ3       LYS  93   2.889   6.772 -13.171
  716    H    GLU  94           H        GLU  94  -2.659   6.855 -16.945
  717    HA   GLU  94           HA       GLU  94  -2.777   8.954 -15.135
  718   1HB   GLU  94          HB2       GLU  94  -1.945   8.986 -17.504
  719   2HB   GLU  94          HB3       GLU  94  -3.625   8.967 -18.068
  720   1HG   GLU  94          HG2       GLU  94  -4.038  11.101 -16.875
  721   2HG   GLU  94          HG3       GLU  94  -2.382  11.075 -16.256
  722    H    ALA  95           H        ALA  95  -5.437   7.367 -16.914
  723    HA   ALA  95           HA       ALA  95  -7.499   9.161 -16.061
  724   1HB   ALA  95          HB1       ALA  95  -7.610   6.235 -16.905
  725   2HB   ALA  95          HB2       ALA  95  -9.004   7.327 -16.787
  726   3HB   ALA  95          HB3       ALA  95  -7.744   7.638 -18.002
  727    H    LEU  96           H        LEU  96  -6.214   6.053 -14.794
  728    HA   LEU  96           HA       LEU  96  -8.157   5.788 -12.725
  729   1HB   LEU  96          HB2       LEU  96  -5.312   4.695 -12.827
  730   2HB   LEU  96          HB3       LEU  96  -6.560   4.227 -11.676
  731    HG   LEU  96           HG       LEU  96  -6.581   3.709 -14.671
  732   1HD1  LEU  96          HD11      LEU  96  -5.103   2.261 -13.275
  733   2HD1  LEU  96          HD12      LEU  96  -6.519   1.790 -12.310
  734   3HD1  LEU  96          HD13      LEU  96  -6.430   1.369 -14.035
  735   1HD2  LEU  96          HD21      LEU  96  -8.726   3.123 -12.594
  736   2HD2  LEU  96          HD22      LEU  96  -8.884   4.136 -14.050
  737   3HD2  LEU  96          HD23      LEU  96  -8.660   2.397 -14.215
  738    H    GLN  97           H        GLN  97  -4.869   7.295 -12.745
  739    HA   GLN  97           HA       GLN  97  -5.088   7.869  -9.929
  740   1HB   GLN  97          HB2       GLN  97  -3.029   9.082 -10.099
  741   2HB   GLN  97          HB3       GLN  97  -2.924   7.542 -10.926
  742   1HG   GLN  97          HG2       GLN  97  -1.776   8.933 -12.351
  743   2HG   GLN  97          HG3       GLN  97  -3.371   8.877 -13.080
  744   1HE2  GLN  97          HE22      GLN  97  -4.251  10.831 -13.631
  745   2HE2  GLN  97          HE21      GLN  97  -3.728  12.382 -12.982
  746    H    GLU  98           H        GLU  98  -6.125   9.578 -12.848
  747    HA   GLU  98           HA       GLU  98  -6.606  12.072 -11.533
  748   1HB   GLU  98          HB2       GLU  98  -6.463  11.850 -13.996
  749   2HB   GLU  98          HB3       GLU  98  -7.890  10.820 -14.000
  750   1HG   GLU  98          HG2       GLU  98  -8.577  12.977 -14.714
  751   2HG   GLU  98          HG3       GLU  98  -9.239  12.746 -13.105
  752    H    LEU  99           H        LEU  99  -8.629   9.223 -12.288
  753    HA   LEU  99           HA       LEU  99 -11.028  10.139 -11.108
  754   1HB   LEU  99          HB2       LEU  99 -10.886   8.200 -12.610
  755   2HB   LEU  99          HB3       LEU  99  -9.922   7.316 -11.429
  756    HG   LEU  99           HG       LEU  99 -11.837   7.253  -9.863
  757   1HD1  LEU  99          HD11      LEU  99 -13.042   9.305 -10.470
  758   2HD1  LEU  99          HD12      LEU  99 -13.367   8.665 -12.099
  759   3HD1  LEU  99          HD13      LEU  99 -14.099   7.913 -10.664
  760   1HD2  LEU  99          HD21      LEU  99 -11.509   5.423 -11.460
  761   2HD2  LEU  99          HD22      LEU  99 -13.238   5.697 -11.193
  762   3HD2  LEU  99          HD23      LEU  99 -12.470   6.282 -12.682
  763    H    VAL 100           H        VAL 100  -8.337   8.214  -9.677
  764    HA   VAL 100           HA       VAL 100  -9.525   7.947  -7.118
  765    HB   VAL 100           HB       VAL 100  -6.662   7.787  -8.123
  766   1HG1  VAL 100          HG11      VAL 100  -6.100   6.709  -5.942
  767   2HG1  VAL 100          HG12      VAL 100  -6.447   8.423  -5.778
  768   3HG1  VAL 100          HG13      VAL 100  -7.674   7.231  -5.296
  769   1HG2  VAL 100          HG21      VAL 100  -7.015   5.374  -7.791
  770   2HG2  VAL 100          HG22      VAL 100  -8.639   5.672  -7.125
  771   3HG2  VAL 100          HG23      VAL 100  -8.303   5.999  -8.821
  772    H    ASN 101           H        ASN 101  -7.211  10.489  -8.385
  773    HA   ASN 101           HA       ASN 101  -7.008  11.733  -5.859
  774   1HB   ASN 101          HB2       ASN 101  -5.797  13.391  -6.787
  775   2HB   ASN 101          HB3       ASN 101  -5.624  12.159  -8.033
  776   1HD2  ASN 101          HD22      ASN 101  -5.799  12.890  -9.992
  777   2HD2  ASN 101          HD21      ASN 101  -6.858  14.160 -10.571
  778    H    LYS 102           H        LYS 102  -9.463  12.142  -8.388
  779    HA   LYS 102           HA       LYS 102 -10.829  14.261  -6.993
  780   1HB   LYS 102          HB2       LYS 102 -11.766  12.335  -9.161
  781   2HB   LYS 102          HB3       LYS 102 -12.727  13.691  -8.579
  782   1HG   LYS 102          HG2       LYS 102  -9.974  13.957  -9.865
  783   2HG   LYS 102          HG3       LYS 102 -11.511  14.183 -10.697
  784   1HD   LYS 102          HD2       LYS 102 -12.080  16.076  -9.246
  785   2HD   LYS 102          HD3       LYS 102 -10.600  15.871  -8.313
  786   1HE   LYS 102          HE2       LYS 102 -10.714  16.602 -11.263
  787   2HE   LYS 102          HE3       LYS 102 -10.448  17.712  -9.915
  788   1HZ   LYS 102          HZ1       LYS 102  -8.467  16.170  -9.391
  789   2HZ   LYS 102          HZ2       LYS 102  -8.624  15.643 -10.935
  790   3HZ   LYS 102          HZ3       LYS 102  -8.333  17.221 -10.654
  791    H    HIS 103           H        HIS 103 -10.661  10.944  -6.132
  792    HA   HIS 103           HA       HIS 103 -13.065  11.307  -4.399
  793   1HB   HIS 103          HB2       HIS 103 -11.614   8.806  -5.313
  794   2HB   HIS 103          HB3       HIS 103 -12.813   8.822  -4.025
  795    HD1  HIS 103           HD1      HIS 103 -15.355   9.869  -4.869
  796    HD2  HIS 103           HD2      HIS 103 -12.602   8.427  -7.701
  797    HE1  HIS 103           HE1      HIS 103 -16.691   9.371  -6.980
  798    H    LEU 104           H        LEU 104  -9.560  11.235  -4.260
  799    HA   LEU 104           HA       LEU 104  -9.205  10.404  -1.574
  800   1HB   LEU 104          HB2       LEU 104  -7.680  12.508  -3.147
  801   2HB   LEU 104          HB3       LEU 104  -7.213  11.920  -1.561
  802    HG   LEU 104           HG       LEU 104  -7.298  10.271  -4.111
  803   1HD1  LEU 104          HD11      LEU 104  -4.870  10.193  -3.860
  804   2HD1  LEU 104          HD12      LEU 104  -5.424  11.871  -3.950
  805   3HD1  LEU 104          HD13      LEU 104  -4.971  11.177  -2.381
  806   1HD2  LEU 104          HD21      LEU 104  -6.207   8.478  -2.764
  807   2HD2  LEU 104          HD22      LEU 104  -6.562   9.406  -1.288
  808   3HD2  LEU 104          HD23      LEU 104  -7.877   8.771  -2.303
  Start of MODEL   11
    1   1H    MET   1          H1        MET   1   4.498  -2.243  -0.012
    2   2H    MET   1          H2        MET   1   4.880  -1.122  -1.133
    3   3H    MET   1          H3        MET   1   4.411  -0.653   0.372
    4    HA   MET   1           HA       MET   1   2.214  -1.572   0.021
    5   1HB   MET   1          HB2       MET   1   3.131   0.443  -2.081
    6   2HB   MET   1          HB3       MET   1   1.446  -0.033  -1.856
    7   1HG   MET   1          HG2       MET   1   3.204   1.241   0.272
    8   2HG   MET   1          HG3       MET   1   1.949   2.051  -0.662
    9   1HE   MET   1          HE1       MET   1   0.755   1.674   3.181
   10   2HE   MET   1          HE2       MET   1   2.464   1.527   2.718
   11   3HE   MET   1          HE3       MET   1   1.454   2.794   1.993
   12    H    ALA   2           H        ALA   2   0.835  -2.885  -1.127
   13    HA   ALA   2           HA       ALA   2   1.418  -3.841  -3.803
   14   1HB   ALA   2          HB1       ALA   2   1.395  -6.232  -3.146
   15   2HB   ALA   2          HB2       ALA   2   2.808  -5.417  -2.456
   16   3HB   ALA   2          HB3       ALA   2   1.398  -5.778  -1.431
   17    H    ILE   3           H        ILE   3  -0.381  -5.066  -4.587
   18    HA   ILE   3           HA       ILE   3  -2.914  -3.976  -3.803
   19    HB   ILE   3           HB       ILE   3  -1.993  -6.097  -5.793
   20   1HG1  ILE   3          HG12      ILE   3  -2.855  -3.191  -6.124
   21   2HG1  ILE   3          HG13      ILE   3  -1.198  -3.776  -6.179
   22   1HG2  ILE   3          HG21      ILE   3  -4.789  -4.889  -5.559
   23   2HG2  ILE   3          HG22      ILE   3  -4.212  -5.885  -6.911
   24   3HG2  ILE   3          HG23      ILE   3  -4.345  -6.595  -5.321
   25   1HD1  ILE   3          HD11      ILE   3  -3.361  -4.311  -8.219
   26   2HD1  ILE   3          HD12      ILE   3  -1.865  -3.394  -8.390
   27   3HD1  ILE   3          HD13      ILE   3  -1.779  -5.153  -8.177
   28    H    VAL   4           H        VAL   4  -4.787  -5.228  -3.143
   29    HA   VAL   4           HA       VAL   4  -4.122  -7.441  -1.257
   30    HB   VAL   4           HB       VAL   4  -6.234  -5.253  -1.038
   31   1HG1  VAL   4          HG11      VAL   4  -6.333  -5.936   1.374
   32   2HG1  VAL   4          HG12      VAL   4  -6.940  -7.161   0.283
   33   3HG1  VAL   4          HG13      VAL   4  -5.309  -7.333   0.990
   34   1HG2  VAL   4          HG21      VAL   4  -4.788  -4.326   0.799
   35   2HG2  VAL   4          HG22      VAL   4  -3.514  -5.467   0.327
   36   3HG2  VAL   4          HG23      VAL   4  -4.049  -4.190  -0.790
   37    H    LYS   5           H        LYS   5  -6.235  -8.779  -0.832
   38    HA   LYS   5           HA       LYS   5  -7.932  -9.045  -3.254
   39   1HB   LYS   5          HB2       LYS   5  -6.321 -11.246  -1.887
   40   2HB   LYS   5          HB3       LYS   5  -7.742 -11.586  -2.861
   41   1HG   LYS   5          HG2       LYS   5  -6.714 -11.279  -4.820
   42   2HG   LYS   5          HG3       LYS   5  -5.847  -9.842  -4.302
   43   1HD   LYS   5          HD2       LYS   5  -4.995 -12.658  -3.539
   44   2HD   LYS   5          HD3       LYS   5  -4.378 -11.762  -4.941
   45   1HE   LYS   5          HE2       LYS   5  -3.616  -9.924  -3.449
   46   2HE   LYS   5          HE3       LYS   5  -4.189 -10.822  -2.041
   47   1HZ   LYS   5          HZ1       LYS   5  -2.585 -12.568  -2.578
   48   2HZ   LYS   5          HZ2       LYS   5  -2.051 -11.738  -3.881
   49   3HZ   LYS   5          HZ3       LYS   5  -1.821 -11.144  -2.382
   50    H    ALA   6           H        ALA   6 -10.024  -9.777  -2.727
   51    HA   ALA   6           HA       ALA   6 -10.620 -10.542   0.044
   52   1HB   ALA   6          HB1       ALA   6 -10.773  -8.035   0.052
   53   2HB   ALA   6          HB2       ALA   6 -11.974  -8.135  -1.256
   54   3HB   ALA   6          HB3       ALA   6 -12.335  -8.816   0.345
   55    H    THR   7           H        THR   7 -13.064 -11.042   0.214
   56    HA   THR   7           HA       THR   7 -14.330 -11.720  -2.324
   57    HB   THR   7           HB       THR   7 -15.011 -13.948  -1.492
   58    HG1  THR   7           HG1      THR   7 -13.104 -13.557   0.571
   59   1HG2  THR   7          HG21      THR   7 -12.993 -15.186  -1.858
   60   2HG2  THR   7          HG22      THR   7 -12.952 -13.768  -2.922
   61   3HG2  THR   7          HG23      THR   7 -11.973 -13.792  -1.446
   62    H    ASP   8           H        ASP   8 -16.785 -12.333  -1.688
   63    HA   ASP   8           HA       ASP   8 -18.068 -10.229  -0.462
   64   1HB   ASP   8          HB2       ASP   8 -19.204 -12.103  -1.721
   65   2HB   ASP   8          HB3       ASP   8 -18.990 -13.122  -0.319
   66    H    GLN   9           H        GLN   9 -16.614 -12.963   1.144
   67    HA   GLN   9           HA       GLN   9 -17.770 -12.867   3.706
   68   1HB   GLN   9          HB2       GLN   9 -15.054 -13.773   2.667
   69   2HB   GLN   9          HB3       GLN   9 -15.549 -13.990   4.334
   70   1HG   GLN   9          HG2       GLN   9 -15.854 -16.036   3.035
   71   2HG   GLN   9          HG3       GLN   9 -17.353 -15.452   3.745
   72   1HE2  GLN   9          HE22      GLN   9 -15.567 -14.934   0.560
   73   2HE2  GLN   9          HE21      GLN   9 -16.995 -15.271  -0.405
   74    H    SER  10           H        SER  10 -15.135 -10.895   2.333
   75    HA   SER  10           HA       SER  10 -14.953  -9.376   4.900
   76   1HB   SER  10          HB2       SER  10 -12.547 -10.430   3.358
   77   2HB   SER  10          HB3       SER  10 -12.537  -9.581   4.912
   78    HG   SER  10           HG       SER  10 -12.304 -11.847   5.152
   79    H    PHE  11           H        PHE  11 -15.312  -9.127   1.564
   80    HA   PHE  11           HA       PHE  11 -13.720  -6.983   0.786
   81   1HB   PHE  11          HB2       PHE  11 -15.224  -8.320  -0.663
   82   2HB   PHE  11          HB3       PHE  11 -16.629  -7.580   0.089
   83    HD1  PHE  11           HD1      PHE  11 -17.232  -5.208  -0.444
   84    HD2  PHE  11           HD2      PHE  11 -13.834  -7.147  -2.264
   85    HE1  PHE  11           HE1      PHE  11 -17.159  -3.456  -2.203
   86    HE2  PHE  11           HE2      PHE  11 -13.802  -5.437  -4.031
   87    HZ   PHE  11           HZ       PHE  11 -15.484  -3.586  -4.025
   88    H    SER  12           H        SER  12 -16.679  -6.931   2.799
   89    HA   SER  12           HA       SER  12 -17.133  -4.132   2.685
   90   1HB   SER  12          HB2       SER  12 -18.378  -4.740   4.904
   91   2HB   SER  12          HB3       SER  12 -18.938  -5.464   3.386
   92    HG   SER  12           HG       SER  12 -18.725  -7.019   5.060
   93    H    ALA  13           H        ALA  13 -15.502  -6.161   5.131
   94    HA   ALA  13           HA       ALA  13 -14.651  -4.055   6.804
   95   1HB   ALA  13          HB1       ALA  13 -12.989  -5.669   7.665
   96   2HB   ALA  13          HB2       ALA  13 -14.580  -6.432   7.468
   97   3HB   ALA  13          HB3       ALA  13 -13.289  -6.740   6.281
   98    H    GLU  14           H        GLU  14 -13.035  -5.568   3.973
   99    HA   GLU  14           HA       GLU  14 -10.626  -4.088   4.216
  100   1HB   GLU  14          HB2       GLU  14 -11.946  -5.523   1.881
  101   2HB   GLU  14          HB3       GLU  14 -10.375  -4.745   1.721
  102   1HG   GLU  14          HG2       GLU  14 -11.048  -6.877   3.777
  103   2HG   GLU  14          HG3       GLU  14 -10.256  -7.189   2.227
  104    H    THR  15           H        THR  15 -13.690  -3.303   2.526
  105    HA   THR  15           HA       THR  15 -12.470  -0.979   1.312
  106    HB   THR  15           HB       THR  15 -14.776  -0.618   0.397
  107    HG1  THR  15           HG1      THR  15 -15.210  -3.249   1.341
  108   1HG2  THR  15          HG21      THR  15 -14.596  -2.564  -1.173
  109   2HG2  THR  15          HG22      THR  15 -13.095  -1.668  -0.966
  110   3HG2  THR  15          HG23      THR  15 -13.298  -3.235  -0.164
  111    H    SER  16           H        SER  16 -13.353  -1.462   4.430
  112    HA   SER  16           HA       SER  16 -14.647   1.200   4.697
  113   1HB   SER  16          HB2       SER  16 -14.923  -1.242   6.487
  114   2HB   SER  16          HB3       SER  16 -15.762   0.308   6.690
  115    HG   SER  16           HG       SER  16 -16.057  -1.656   4.705
  116    H    GLU  17           H        GLU  17 -11.777   0.874   4.612
  117    HA   GLU  17           HA       GLU  17 -11.258   2.382   7.100
  118   1HB   GLU  17          HB2       GLU  17  -9.193   1.109   7.568
  119   2HB   GLU  17          HB3       GLU  17 -10.667   0.166   7.757
  120   1HG   GLU  17          HG2       GLU  17 -10.294  -0.990   5.643
  121   2HG   GLU  17          HG3       GLU  17  -8.931   0.063   5.262
  122    H    GLY  18           H        GLY  18 -11.423   2.873   4.010
  123   1HA   GLY  18          HA2       GLY  18  -9.816   5.093   3.970
  124   2HA   GLY  18          HA3       GLY  18  -8.793   3.807   3.259
  125    H    VAL  19           H        VAL  19  -8.902   5.342   1.430
  126    HA   VAL  19           HA       VAL  19 -11.349   5.189  -0.204
  127    HB   VAL  19           HB       VAL  19  -8.649   6.067  -1.199
  128   1HG1  VAL  19          HG11      VAL  19 -10.022   7.582  -2.584
  129   2HG1  VAL  19          HG12      VAL  19 -10.736   5.964  -2.669
  130   3HG1  VAL  19          HG13      VAL  19 -11.468   7.195  -1.634
  131   1HG2  VAL  19          HG21      VAL  19  -9.131   8.436  -0.473
  132   2HG2  VAL  19          HG22      VAL  19 -10.342   7.781   0.644
  133   3HG2  VAL  19          HG23      VAL  19  -8.630   7.351   0.813
  134    H    VAL  20           H        VAL  20 -11.536   3.491  -1.762
  135    HA   VAL  20           HA       VAL  20  -9.222   1.660  -2.016
  136    HB   VAL  20           HB       VAL  20 -12.020   0.749  -1.218
  137   1HG1  VAL  20          HG11      VAL  20 -10.873  -0.940  -2.531
  138   2HG1  VAL  20          HG12      VAL  20  -9.377  -0.716  -1.607
  139   3HG1  VAL  20          HG13      VAL  20 -10.803  -1.438  -0.839
  140   1HG2  VAL  20          HG21      VAL  20  -9.561   1.233   0.494
  141   2HG2  VAL  20          HG22      VAL  20 -11.261   1.660   0.800
  142   3HG2  VAL  20          HG23      VAL  20 -10.715  -0.005   0.938
  143    H    LEU  21           H        LEU  21  -9.054   0.738  -3.989
  144    HA   LEU  21           HA       LEU  21 -11.234   1.206  -5.974
  145   1HB   LEU  21          HB2       LEU  21  -9.111   2.432  -6.476
  146   2HB   LEU  21          HB3       LEU  21  -8.230   0.909  -6.388
  147    HG   LEU  21           HG       LEU  21  -9.636   0.069  -8.340
  148   1HD1  LEU  21          HD11      LEU  21 -11.571   1.533  -8.211
  149   2HD1  LEU  21          HD12      LEU  21 -10.543   2.986  -8.315
  150   3HD1  LEU  21          HD13      LEU  21 -10.715   1.918  -9.712
  151   1HD2  LEU  21          HD21      LEU  21  -8.376   1.361 -10.014
  152   2HD2  LEU  21          HD22      LEU  21  -7.998   2.601  -8.795
  153   3HD2  LEU  21          HD23      LEU  21  -7.355   0.951  -8.632
  154    H    ALA  22           H        ALA  22 -12.344  -0.694  -5.805
  155    HA   ALA  22           HA       ALA  22 -10.925  -3.274  -5.606
  156   1HB   ALA  22          HB1       ALA  22 -13.042  -3.094  -4.424
  157   2HB   ALA  22          HB2       ALA  22 -13.863  -2.553  -5.906
  158   3HB   ALA  22          HB3       ALA  22 -13.229  -4.204  -5.807
  159    H    ASP  23           H        ASP  23 -11.102  -4.815  -7.291
  160    HA   ASP  23           HA       ASP  23 -11.859  -3.870 -10.011
  161   1HB   ASP  23          HB2       ASP  23  -9.467  -3.558  -9.916
  162   2HB   ASP  23          HB3       ASP  23  -9.240  -5.136  -9.166
  163    H    PHE  24           H        PHE  24 -13.602  -5.075 -10.217
  164    HA   PHE  24           HA       PHE  24 -13.764  -7.890  -9.451
  165   1HB   PHE  24          HB2       PHE  24 -15.632  -5.954 -10.844
  166   2HB   PHE  24          HB3       PHE  24 -15.914  -7.682 -10.857
  167    HD1  PHE  24           HD1      PHE  24 -16.117  -8.962  -8.685
  168    HD2  PHE  24           HD2      PHE  24 -16.115  -4.653  -8.820
  169    HE1  PHE  24           HE1      PHE  24 -17.085  -8.902  -6.418
  170    HE2  PHE  24           HE2      PHE  24 -17.041  -4.596  -6.510
  171    HZ   PHE  24           HZ       PHE  24 -17.501  -6.716  -5.301
  172    H    TRP  25           H        TRP  25 -12.733  -9.356 -10.643
  173    HA   TRP  25           HA       TRP  25 -12.297  -8.857 -13.546
  174   1HB   TRP  25          HB2       TRP  25 -10.008  -9.267 -13.395
  175   2HB   TRP  25          HB3       TRP  25 -10.343  -8.090 -12.149
  176    HD1  TRP  25           HD1      TRP  25 -10.635  -9.295  -9.600
  177    HE1  TRP  25           HE1      TRP  25  -9.231 -11.143  -8.514
  178    HE3  TRP  25           HE3      TRP  25  -8.432 -11.201 -13.810
  179    HZ2  TRP  25           HZ2      TRP  25  -7.266 -13.089  -9.353
  180    HZ3  TRP  25           HZ3      TRP  25  -6.760 -13.017 -13.627
  181    HH2  TRP  25           HH2      TRP  25  -6.193 -13.994 -11.417
  182    H    ALA  26           H        ALA  26 -11.205 -10.950 -14.516
  183    HA   ALA  26           HA       ALA  26 -11.722 -13.409 -13.093
  184   1HB   ALA  26          HB1       ALA  26 -13.086 -14.444 -14.830
  185   2HB   ALA  26          HB2       ALA  26 -13.931 -13.015 -14.225
  186   3HB   ALA  26          HB3       ALA  26 -13.087 -12.945 -15.790
  187    HA   PRO  27           HA       PRO  27  -7.964 -13.944 -15.265
  188   1HB   PRO  27          HB2       PRO  27  -7.483 -16.637 -15.131
  189   2HB   PRO  27          HB3       PRO  27  -7.523 -15.584 -13.685
  190   1HG   PRO  27          HG2       PRO  27  -9.747 -17.334 -14.776
  191   2HG   PRO  27          HG3       PRO  27  -9.163 -17.200 -13.085
  192   1HD   PRO  27          HD2       PRO  27 -11.355 -15.829 -14.016
  193   2HD   PRO  27          HD3       PRO  27 -10.259 -15.145 -12.771
  194    H    TRP  28           H        TRP  28 -10.776 -15.541 -16.676
  195    HA   TRP  28           HA       TRP  28  -9.340 -16.309 -19.107
  196   1HB   TRP  28          HB2       TRP  28 -11.707 -16.883 -19.843
  197   2HB   TRP  28          HB3       TRP  28 -11.008 -17.783 -18.518
  198    HD1  TRP  28           HD1      TRP  28 -12.909 -14.417 -18.210
  199    HE1  TRP  28           HE1      TRP  28 -14.959 -14.749 -16.737
  200    HE3  TRP  28           HE3      TRP  28 -12.464 -19.447 -17.347
  201    HZ2  TRP  28           HZ2      TRP  28 -16.203 -16.907 -15.251
  202    HZ3  TRP  28           HZ3      TRP  28 -14.084 -20.607 -15.871
  203    HH2  TRP  28           HH2      TRP  28 -15.953 -19.350 -14.819
  204    H    CYS  29           H        CYS  29 -10.368 -13.315 -17.910
  205    HA   CYS  29           HA       CYS  29 -11.297 -12.291 -20.530
  206   1HB   CYS  29          HB2       CYS  29 -12.584 -11.707 -18.513
  207   2HB   CYS  29          HB3       CYS  29 -11.133 -11.001 -17.779
  208    HG   CYS  29           HG       CYS  29 -13.017  -9.240 -18.800
  209    H    GLY  30           H        GLY  30  -9.757 -11.497 -21.886
  210   1HA   GLY  30          HA2       GLY  30  -7.004 -11.258 -21.335
  211   2HA   GLY  30          HA3       GLY  30  -7.858 -10.509 -22.689
  212    HA   PRO  31           HA       PRO  31  -7.689  -6.416 -21.028
  213   1HB   PRO  31          HB2       PRO  31 -10.590  -6.556 -20.185
  214   2HB   PRO  31          HB3       PRO  31  -9.710  -5.185 -20.935
  215   1HG   PRO  31          HG2       PRO  31 -11.212  -6.823 -22.473
  216   2HG   PRO  31          HG3       PRO  31  -9.574  -6.350 -23.031
  217   1HD   PRO  31          HD2       PRO  31 -10.461  -8.942 -21.776
  218   2HD   PRO  31          HD3       PRO  31  -9.297  -8.665 -23.099
  219    H    CYS  32           H        CYS  32  -9.367  -8.600 -18.679
  220    HA   CYS  32           HA       CYS  32  -8.746  -7.105 -16.323
  221   1HB   CYS  32          HB2       CYS  32  -9.073 -10.119 -16.749
  222   2HB   CYS  32          HB3       CYS  32  -8.858  -9.347 -15.185
  223    HG   CYS  32           HG       CYS  32 -11.210  -8.671 -17.420
  224    H    LYS  33           H        LYS  33  -6.782  -9.404 -18.235
  225    HA   LYS  33           HA       LYS  33  -4.605  -9.360 -16.245
  226   1HB   LYS  33          HB2       LYS  33  -4.870 -10.590 -19.021
  227   2HB   LYS  33          HB3       LYS  33  -3.421 -10.715 -18.010
  228   1HG   LYS  33          HG2       LYS  33  -4.646 -11.828 -16.230
  229   2HG   LYS  33          HG3       LYS  33  -6.184 -11.625 -17.064
  230   1HD   LYS  33          HD2       LYS  33  -3.875 -13.321 -18.094
  231   2HD   LYS  33          HD3       LYS  33  -5.291 -13.908 -17.207
  232   1HE   LYS  33          HE2       LYS  33  -6.715 -12.767 -19.041
  233   2HE   LYS  33          HE3       LYS  33  -5.215 -12.650 -19.979
  234   1HZ   LYS  33          HZ1       LYS  33  -6.497 -15.116 -18.965
  235   2HZ   LYS  33          HZ2       LYS  33  -6.400 -14.664 -20.538
  236   3HZ   LYS  33          HZ3       LYS  33  -5.044 -15.106 -19.744
  237    H    MET  34           H        MET  34  -5.412  -7.807 -19.384
  238    HA   MET  34           HA       MET  34  -2.886  -6.548 -19.731
  239   1HB   MET  34          HB2       MET  34  -5.647  -5.626 -20.630
  240   2HB   MET  34          HB3       MET  34  -4.124  -4.940 -21.190
  241   1HG   MET  34          HG2       MET  34  -4.923  -7.849 -21.530
  242   2HG   MET  34          HG3       MET  34  -5.106  -6.601 -22.760
  243   1HE   MET  34          HE1       MET  34  -3.862  -8.211 -24.461
  244   2HE   MET  34          HE2       MET  34  -2.261  -8.922 -24.159
  245   3HE   MET  34          HE3       MET  34  -3.653  -9.422 -23.175
  246    H    ILE  35           H        ILE  35  -5.809  -5.451 -17.901
  247    HA   ILE  35           HA       ILE  35  -4.549  -2.935 -17.253
  248    HB   ILE  35           HB       ILE  35  -7.021  -3.386 -17.491
  249   1HG1  ILE  35          HG12      ILE  35  -6.052  -1.860 -15.049
  250   2HG1  ILE  35          HG13      ILE  35  -6.142  -1.273 -16.707
  251   1HG2  ILE  35          HG21      ILE  35  -6.878  -4.354 -14.612
  252   2HG2  ILE  35          HG22      ILE  35  -8.320  -4.192 -15.636
  253   3HG2  ILE  35          HG23      ILE  35  -7.107  -5.401 -16.026
  254   1HD1  ILE  35          HD11      ILE  35  -8.660  -1.645 -16.600
  255   2HD1  ILE  35          HD12      ILE  35  -8.461  -1.974 -14.865
  256   3HD1  ILE  35          HD13      ILE  35  -8.025  -0.389 -15.520
  257    H    ALA  36           H        ALA  36  -3.991  -6.100 -16.016
  258    HA   ALA  36           HA       ALA  36  -3.754  -5.556 -13.265
  259   1HB   ALA  36          HB1       ALA  36  -2.168  -7.607 -14.856
  260   2HB   ALA  36          HB2       ALA  36  -2.417  -7.578 -13.105
  261   3HB   ALA  36          HB3       ALA  36  -3.798  -7.834 -14.189
  262    HA   PRO  37           HA       PRO  37   0.838  -4.348 -13.712
  263   1HB   PRO  37          HB2       PRO  37   1.766  -3.372 -16.137
  264   2HB   PRO  37          HB3       PRO  37   1.958  -5.057 -15.566
  265   1HG   PRO  37          HG2       PRO  37  -0.179  -3.941 -17.407
  266   2HG   PRO  37          HG3       PRO  37   0.802  -5.428 -17.619
  267   1HD   PRO  37          HD2       PRO  37  -1.691  -5.577 -16.638
  268   2HD   PRO  37          HD3       PRO  37  -0.399  -6.568 -15.919
  269    H    VAL  38           H        VAL  38  -1.701  -2.693 -15.603
  270    HA   VAL  38           HA       VAL  38  -0.740  -0.039 -15.182
  271    HB   VAL  38           HB       VAL  38  -3.635  -0.910 -15.594
  272   1HG1  VAL  38          HG11      VAL  38  -2.178   1.582 -16.508
  273   2HG1  VAL  38          HG12      VAL  38  -3.908   1.233 -16.654
  274   3HG1  VAL  38          HG13      VAL  38  -3.210   1.501 -15.055
  275   1HG2  VAL  38          HG21      VAL  38  -1.477  -0.486 -17.713
  276   2HG2  VAL  38          HG22      VAL  38  -2.338  -2.003 -17.381
  277   3HG2  VAL  38          HG23      VAL  38  -3.217  -0.622 -18.035
  278    H    LEU  39           H        LEU  39  -3.039  -2.186 -13.411
  279    HA   LEU  39           HA       LEU  39  -3.536  -0.334 -11.299
  280   1HB   LEU  39          HB2       LEU  39  -3.808  -3.348 -11.528
  281   2HB   LEU  39          HB3       LEU  39  -4.272  -2.469 -10.075
  282    HG   LEU  39           HG       LEU  39  -5.419  -1.779 -12.811
  283   1HD1  LEU  39          HD11      LEU  39  -6.559  -3.660 -10.706
  284   2HD1  LEU  39          HD12      LEU  39  -7.395  -3.106 -12.175
  285   3HD1  LEU  39          HD13      LEU  39  -5.944  -4.104 -12.321
  286   1HD2  LEU  39          HD21      LEU  39  -5.679  -0.011 -11.096
  287   2HD2  LEU  39          HD22      LEU  39  -7.233  -0.748 -11.485
  288   3HD2  LEU  39          HD23      LEU  39  -6.400  -1.190  -9.979
  289    H    GLU  40           H        GLU  40  -0.962  -2.829 -11.763
  290    HA   GLU  40           HA       GLU  40   0.062  -2.523  -9.106
  291   1HB   GLU  40          HB2       GLU  40   1.450  -3.393 -11.659
  292   2HB   GLU  40          HB3       GLU  40   2.232  -3.328 -10.070
  293   1HG   GLU  40          HG2       GLU  40   0.571  -4.884  -9.140
  294   2HG   GLU  40          HG3       GLU  40  -0.246  -4.989 -10.696
  295    H    GLU  41           H        GLU  41   0.843  -0.744 -12.147
  296    HA   GLU  41           HA       GLU  41   2.787   0.965 -10.968
  297   1HB   GLU  41          HB2       GLU  41   0.854   1.350 -13.287
  298   2HB   GLU  41          HB3       GLU  41   1.988   2.602 -12.806
  299   1HG   GLU  41          HG2       GLU  41   2.818  -0.223 -13.610
  300   2HG   GLU  41          HG3       GLU  41   2.768   1.152 -14.706
  301    H    LEU  42           H        LEU  42  -0.781   1.251 -11.196
  302    HA   LEU  42           HA       LEU  42  -0.931   3.780  -9.942
  303   1HB   LEU  42          HB2       LEU  42  -2.754   2.658 -11.260
  304   2HB   LEU  42          HB3       LEU  42  -2.954   1.502  -9.941
  305    HG   LEU  42           HG       LEU  42  -3.576   3.414  -8.409
  306   1HD1  LEU  42          HD11      LEU  42  -2.523   5.303  -9.611
  307   2HD1  LEU  42          HD12      LEU  42  -3.585   5.024 -11.008
  308   3HD1  LEU  42          HD13      LEU  42  -4.262   5.548  -9.451
  309   1HD2  LEU  42          HD21      LEU  42  -5.835   3.718  -9.510
  310   2HD2  LEU  42          HD22      LEU  42  -5.167   2.880 -10.936
  311   3HD2  LEU  42          HD23      LEU  42  -5.285   2.040  -9.391
  312    H    ASP  43           H        ASP  43  -0.891   0.455  -8.575
  313    HA   ASP  43           HA       ASP  43  -1.484   1.151  -5.877
  314   1HB   ASP  43          HB2       ASP  43  -1.734  -1.114  -6.383
  315   2HB   ASP  43          HB3       ASP  43  -0.232  -1.197  -7.286
  316    H    GLN  44           H        GLN  44   1.624   0.832  -7.679
  317    HA   GLN  44           HA       GLN  44   3.252   1.433  -5.417
  318   1HB   GLN  44          HB2       GLN  44   3.661   1.706  -8.409
  319   2HB   GLN  44          HB3       GLN  44   4.958   1.980  -7.229
  320   1HG   GLN  44          HG2       GLN  44   3.485  -0.642  -7.739
  321   2HG   GLN  44          HG3       GLN  44   5.146  -0.270  -8.142
  322   1HE2  GLN  44          HE22      GLN  44   2.964  -1.468  -5.663
  323   2HE2  GLN  44          HE21      GLN  44   4.173  -1.726  -4.448
  324    H    GLU  45           H        GLU  45   1.407   3.497  -7.579
  325    HA   GLU  45           HA       GLU  45   2.760   5.951  -6.751
  326   1HB   GLU  45          HB2       GLU  45   2.005   5.449  -9.060
  327   2HB   GLU  45          HB3       GLU  45   0.325   5.429  -8.497
  328   1HG   GLU  45          HG2       GLU  45   0.398   7.789  -7.979
  329   2HG   GLU  45          HG3       GLU  45   2.155   7.844  -8.195
  330    H    MET  46           H        MET  46  -0.299   4.290  -6.034
  331    HA   MET  46           HA       MET  46  -1.172   6.573  -4.330
  332   1HB   MET  46          HB2       MET  46  -2.762   4.684  -6.096
  333   2HB   MET  46          HB3       MET  46  -3.492   5.769  -4.925
  334   1HG   MET  46          HG2       MET  46  -1.735   6.729  -7.208
  335   2HG   MET  46          HG3       MET  46  -3.494   6.641  -7.247
  336   1HE   MET  46          HE1       MET  46  -3.208  10.476  -7.010
  337   2HE   MET  46          HE2       MET  46  -2.242   9.353  -7.991
  338   3HE   MET  46          HE3       MET  46  -3.994   9.091  -7.792
  339    H    GLY  47           H        GLY  47  -0.280   3.284  -4.130
  340   1HA   GLY  47          HA2       GLY  47  -2.046   1.888  -2.716
  341   2HA   GLY  47          HA3       GLY  47  -0.328   1.797  -2.408
  342    H    ASP  48           H        ASP  48  -0.093   4.465  -1.212
  343    HA   ASP  48           HA       ASP  48  -0.682   3.705   1.525
  344   1HB   ASP  48          HB2       ASP  48   1.426   4.832   0.963
  345   2HB   ASP  48          HB3       ASP  48   0.543   6.213   0.312
  346    H    LYS  49           H        LYS  49  -1.916   5.999  -0.862
  347    HA   LYS  49           HA       LYS  49  -3.685   7.384   1.006
  348   1HB   LYS  49          HB2       LYS  49  -3.211   7.610  -1.997
  349   2HB   LYS  49          HB3       LYS  49  -4.322   8.629  -1.096
  350   1HG   LYS  49          HG2       LYS  49  -2.675   9.826  -0.015
  351   2HG   LYS  49          HG3       LYS  49  -1.467   8.553  -0.114
  352   1HD   LYS  49          HD2       LYS  49  -2.421  10.108  -2.553
  353   2HD   LYS  49          HD3       LYS  49  -1.027  10.578  -1.561
  354   1HE   LYS  49          HE2       LYS  49   0.066   8.412  -1.986
  355   2HE   LYS  49          HE3       LYS  49  -1.332   7.871  -2.919
  356   1HZ   LYS  49          HZ1       LYS  49   0.479  10.093  -3.672
  357   2HZ   LYS  49          HZ2       LYS  49   0.424   8.613  -4.376
  358   3HZ   LYS  49          HZ3       LYS  49  -0.844   9.635  -4.530
  359    H    LEU  50           H        LEU  50  -3.727   4.774  -1.356
  360    HA   LEU  50           HA       LEU  50  -6.575   4.321  -0.927
  361   1HB   LEU  50          HB2       LEU  50  -6.756   5.786  -2.722
  362   2HB   LEU  50          HB3       LEU  50  -5.295   5.204  -3.501
  363    HG   LEU  50           HG       LEU  50  -7.250   3.026  -3.384
  364   1HD1  LEU  50          HD11      LEU  50  -8.969   3.946  -4.843
  365   2HD1  LEU  50          HD12      LEU  50  -8.936   4.713  -3.262
  366   3HD1  LEU  50          HD13      LEU  50  -8.268   5.567  -4.660
  367   1HD2  LEU  50          HD21      LEU  50  -5.993   4.531  -5.692
  368   2HD2  LEU  50          HD22      LEU  50  -5.358   3.075  -4.909
  369   3HD2  LEU  50          HD23      LEU  50  -6.876   2.994  -5.808
  370    H    LYS  51           H        LYS  51  -6.933   2.242  -0.690
  371    HA   LYS  51           HA       LYS  51  -4.848   0.221  -1.173
  372   1HB   LYS  51          HB2       LYS  51  -6.339   0.256   0.832
  373   2HB   LYS  51          HB3       LYS  51  -7.742   0.041  -0.214
  374   1HG   LYS  51          HG2       LYS  51  -6.757  -2.187  -0.943
  375   2HG   LYS  51          HG3       LYS  51  -5.492  -1.956   0.269
  376   1HD   LYS  51          HD2       LYS  51  -8.505  -2.100   0.780
  377   2HD   LYS  51          HD3       LYS  51  -7.345  -3.407   1.053
  378   1HE   LYS  51          HE2       LYS  51  -6.165  -2.021   2.741
  379   2HE   LYS  51          HE3       LYS  51  -7.337  -0.708   2.498
  380   1HZ   LYS  51          HZ1       LYS  51  -7.826  -2.160   4.409
  381   2HZ   LYS  51          HZ2       LYS  51  -9.061  -2.131   3.303
  382   3HZ   LYS  51          HZ3       LYS  51  -8.060  -3.434   3.405
  383    H    ILE  52           H        ILE  52  -5.167  -1.591  -2.708
  384    HA   ILE  52           HA       ILE  52  -7.355  -1.200  -4.672
  385    HB   ILE  52           HB       ILE  52  -4.502  -2.012  -5.317
  386   1HG1  ILE  52          HG12      ILE  52  -6.128   0.510  -5.761
  387   2HG1  ILE  52          HG13      ILE  52  -4.566   0.341  -4.975
  388   1HG2  ILE  52          HG21      ILE  52  -6.155  -3.289  -6.691
  389   2HG2  ILE  52          HG22      ILE  52  -6.881  -1.752  -7.211
  390   3HG2  ILE  52          HG23      ILE  52  -5.211  -2.180  -7.656
  391   1HD1  ILE  52          HD11      ILE  52  -4.286   1.463  -7.052
  392   2HD1  ILE  52          HD12      ILE  52  -3.542  -0.142  -7.215
  393   3HD1  ILE  52          HD13      ILE  52  -5.125   0.185  -7.950
  394    H    VAL  53           H        VAL  53  -8.563  -3.057  -4.975
  395    HA   VAL  53           HA       VAL  53  -7.633  -5.489  -3.495
  396    HB   VAL  53           HB       VAL  53 -10.433  -4.293  -3.406
  397   1HG1  VAL  53          HG11      VAL  53 -10.845  -5.947  -1.632
  398   2HG1  VAL  53          HG12      VAL  53 -10.443  -6.747  -3.153
  399   3HG1  VAL  53          HG13      VAL  53  -9.218  -6.629  -1.867
  400   1HG2  VAL  53          HG21      VAL  53  -8.349  -4.360  -1.186
  401   2HG2  VAL  53          HG22      VAL  53  -8.855  -2.912  -2.074
  402   3HG2  VAL  53          HG23      VAL  53 -10.022  -3.766  -1.060
  403    H    LYS  54           H        LYS  54  -7.468  -7.114  -4.948
  404    HA   LYS  54           HA       LYS  54  -9.112  -7.225  -7.390
  405   1HB   LYS  54          HB2       LYS  54  -7.189  -9.175  -6.023
  406   2HB   LYS  54          HB3       LYS  54  -8.001  -9.531  -7.539
  407   1HG   LYS  54          HG2       LYS  54  -6.068  -7.229  -7.114
  408   2HG   LYS  54          HG3       LYS  54  -5.696  -8.785  -7.878
  409   1HD   LYS  54          HD2       LYS  54  -7.557  -8.305  -9.544
  410   2HD   LYS  54          HD3       LYS  54  -7.642  -6.656  -8.867
  411   1HE   LYS  54          HE2       LYS  54  -5.468  -6.113  -9.539
  412   2HE   LYS  54          HE3       LYS  54  -5.025  -7.824  -9.793
  413   1HZ   LYS  54          HZ1       LYS  54  -5.495  -6.577 -11.895
  414   2HZ   LYS  54          HZ2       LYS  54  -6.413  -7.915 -11.709
  415   3HZ   LYS  54          HZ3       LYS  54  -7.080  -6.453 -11.435
  416    H    ILE  55           H        ILE  55 -10.968  -8.420  -7.692
  417    HA   ILE  55           HA       ILE  55 -11.591 -10.540  -5.752
  418    HB   ILE  55           HB       ILE  55 -12.550  -8.703  -4.660
  419   1HG1  ILE  55          HG12      ILE  55 -14.871 -10.011  -6.100
  420   2HG1  ILE  55          HG13      ILE  55 -13.840 -10.839  -4.926
  421   1HG2  ILE  55          HG21      ILE  55 -13.856  -7.832  -7.250
  422   2HG2  ILE  55          HG22      ILE  55 -14.232  -7.150  -5.666
  423   3HG2  ILE  55          HG23      ILE  55 -12.616  -6.964  -6.334
  424   1HD1  ILE  55          HD11      ILE  55 -15.842 -10.046  -3.814
  425   2HD1  ILE  55          HD12      ILE  55 -14.424  -9.209  -3.183
  426   3HD1  ILE  55          HD13      ILE  55 -15.525  -8.380  -4.312
  427    H    ASP  56           H        ASP  56 -12.178 -12.315  -6.854
  428    HA   ASP  56           HA       ASP  56 -12.488 -12.134  -9.769
  429   1HB   ASP  56          HB2       ASP  56 -10.951 -13.746  -8.806
  430   2HB   ASP  56          HB3       ASP  56 -12.242 -14.470  -7.848
  431    H    VAL  57           H        VAL  57 -14.519 -11.999 -10.692
  432    HA   VAL  57           HA       VAL  57 -16.889 -12.104  -9.125
  433    HB   VAL  57           HB       VAL  57 -18.125 -12.023 -11.260
  434   1HG1  VAL  57          HG11      VAL  57 -17.323  -9.834 -11.994
  435   2HG1  VAL  57          HG12      VAL  57 -17.331  -9.962 -10.243
  436   3HG1  VAL  57          HG13      VAL  57 -15.787 -10.081 -11.125
  437   1HG2  VAL  57          HG21      VAL  57 -16.676 -13.411 -12.702
  438   2HG2  VAL  57          HG22      VAL  57 -16.970 -11.821 -13.407
  439   3HG2  VAL  57          HG23      VAL  57 -15.412 -12.167 -12.635
  440    H    ASP  58           H        ASP  58 -15.164 -14.740 -10.727
  441    HA   ASP  58           HA       ASP  58 -17.501 -16.458 -10.926
  442   1HB   ASP  58          HB2       ASP  58 -15.473 -16.657 -12.375
  443   2HB   ASP  58          HB3       ASP  58 -14.544 -17.177 -10.963
  444    H    GLU  59           H        GLU  59 -15.685 -15.418  -8.273
  445    HA   GLU  59           HA       GLU  59 -16.768 -17.629  -6.576
  446   1HB   GLU  59          HB2       GLU  59 -14.191 -16.026  -6.288
  447   2HB   GLU  59          HB3       GLU  59 -14.827 -17.084  -5.037
  448   1HG   GLU  59          HG2       GLU  59 -13.925 -17.943  -7.816
  449   2HG   GLU  59          HG3       GLU  59 -13.030 -18.148  -6.318
  450    H    ASN  60           H        ASN  60 -17.385 -14.549  -7.531
  451    HA   ASN  60           HA       ASN  60 -18.347 -13.608  -4.888
  452   1HB   ASN  60          HB2       ASN  60 -16.351 -12.095  -6.633
  453   2HB   ASN  60          HB3       ASN  60 -17.229 -11.400  -5.291
  454   1HD2  ASN  60          HD22      ASN  60 -14.563 -13.435  -6.148
  455   2HD2  ASN  60          HD21      ASN  60 -14.020 -13.773  -4.507
  456    H    GLN  61           H        GLN  61 -19.749 -14.592  -7.113
  457    HA   GLN  61           HA       GLN  61 -20.835 -12.527  -8.753
  458   1HB   GLN  61          HB2       GLN  61 -22.762 -14.105  -9.017
  459   2HB   GLN  61          HB3       GLN  61 -21.193 -14.731  -9.489
  460   1HG   GLN  61          HG2       GLN  61 -22.368 -15.360  -6.767
  461   2HG   GLN  61          HG3       GLN  61 -22.809 -16.264  -8.206
  462   1HE2  GLN  61          HE22      GLN  61 -20.457 -16.074  -5.666
  463   2HE2  GLN  61          HE21      GLN  61 -19.359 -17.251  -6.356
  464    H    GLU  62           H        GLU  62 -21.401 -13.540  -5.421
  465    HA   GLU  62           HA       GLU  62 -23.801 -12.140  -4.878
  466   1HB   GLU  62          HB2       GLU  62 -21.406 -12.817  -3.090
  467   2HB   GLU  62          HB3       GLU  62 -22.970 -12.241  -2.528
  468   1HG   GLU  62          HG2       GLU  62 -23.083 -14.516  -2.152
  469   2HG   GLU  62          HG3       GLU  62 -24.012 -14.297  -3.631
  470    H    THR  63           H        THR  63 -20.316 -11.177  -4.318
  471    HA   THR  63           HA       THR  63 -21.036  -8.626  -3.389
  472    HB   THR  63           HB       THR  63 -18.370  -8.805  -4.602
  473    HG1  THR  63           HG1      THR  63 -17.659 -10.395  -3.069
  474   1HG2  THR  63          HG21      THR  63 -17.635  -8.125  -2.388
  475   2HG2  THR  63          HG22      THR  63 -19.025  -7.147  -2.893
  476   3HG2  THR  63          HG23      THR  63 -19.248  -8.462  -1.715
  477    H    ALA  64           H        ALA  64 -19.943  -9.736  -6.654
  478    HA   ALA  64           HA       ALA  64 -19.860  -7.126  -7.766
  479   1HB   ALA  64          HB1       ALA  64 -18.889  -9.259  -8.733
  480   2HB   ALA  64          HB2       ALA  64 -20.530  -9.756  -9.190
  481   3HB   ALA  64          HB3       ALA  64 -19.799  -8.297  -9.905
  482    H    GLY  65           H        GLY  65 -22.506  -9.581  -7.654
  483   1HA   GLY  65          HA2       GLY  65 -24.530  -8.126  -8.945
  484   2HA   GLY  65          HA3       GLY  65 -24.751  -9.390  -7.721
  485    H    LYS  66           H        LYS  66 -23.198  -7.731  -5.683
  486    HA   LYS  66           HA       LYS  66 -25.346  -6.365  -4.439
  487   1HB   LYS  66          HB2       LYS  66 -22.966  -7.279  -3.587
  488   2HB   LYS  66          HB3       LYS  66 -22.483  -5.605  -3.862
  489   1HG   LYS  66          HG2       LYS  66 -24.432  -4.919  -2.365
  490   2HG   LYS  66          HG3       LYS  66 -24.677  -6.632  -2.013
  491   1HD   LYS  66          HD2       LYS  66 -22.250  -4.913  -1.387
  492   2HD   LYS  66          HD3       LYS  66 -23.370  -5.604  -0.226
  493   1HE   LYS  66          HE2       LYS  66 -21.409  -7.154  -1.979
  494   2HE   LYS  66          HE3       LYS  66 -21.163  -6.741  -0.288
  495   1HZ   LYS  66          HZ1       LYS  66 -23.039  -8.135   0.298
  496   2HZ   LYS  66          HZ2       LYS  66 -23.310  -8.537  -1.264
  497   3HZ   LYS  66          HZ3       LYS  66 -21.927  -9.012  -0.521
  498    H    TYR  67           H        TYR  67 -23.058  -5.313  -6.893
  499    HA   TYR  67           HA       TYR  67 -24.164  -2.543  -6.773
  500   1HB   TYR  67          HB2       TYR  67 -21.565  -3.276  -8.104
  501   2HB   TYR  67          HB3       TYR  67 -22.090  -1.713  -7.496
  502    HD1  TYR  67           HD1      TYR  67 -20.136  -4.625  -6.874
  503    HD2  TYR  67           HD2      TYR  67 -22.455  -1.612  -4.833
  504    HE1  TYR  67           HE1      TYR  67 -19.128  -5.312  -4.761
  505    HE2  TYR  67           HE2      TYR  67 -21.402  -2.261  -2.682
  506    HH   TYR  67           HH       TYR  67 -19.017  -4.927  -2.434
  507    H    GLY  68           H        GLY  68 -24.958  -5.233  -8.287
  508   1HA   GLY  68          HA2       GLY  68 -25.923  -5.761 -10.262
  509   2HA   GLY  68          HA3       GLY  68 -25.929  -4.039 -10.686
  510    H    VAL  69           H        VAL  69 -22.870  -5.643  -9.951
  511    HA   VAL  69           HA       VAL  69 -21.968  -5.309 -12.768
  512    HB   VAL  69           HB       VAL  69 -20.487  -5.831 -10.142
  513   1HG1  VAL  69          HG11      VAL  69 -19.241  -6.881 -11.975
  514   2HG1  VAL  69          HG12      VAL  69 -19.348  -5.388 -12.934
  515   3HG1  VAL  69          HG13      VAL  69 -18.418  -5.430 -11.417
  516   1HG2  VAL  69          HG21      VAL  69 -19.601  -3.530 -10.494
  517   2HG2  VAL  69          HG22      VAL  69 -20.608  -3.352 -11.944
  518   3HG2  VAL  69          HG23      VAL  69 -21.358  -3.498 -10.354
  519    H    MET  70           H        MET  70 -21.742  -7.066 -14.048
  520    HA   MET  70           HA       MET  70 -20.807  -9.525 -12.926
  521   1HB   MET  70          HB2       MET  70 -23.448  -9.634 -12.822
  522   2HB   MET  70          HB3       MET  70 -23.336  -9.907 -14.561
  523   1HG   MET  70          HG2       MET  70 -23.393 -12.041 -13.361
  524   2HG   MET  70          HG3       MET  70 -21.819 -11.841 -14.120
  525   1HE   MET  70          HE1       MET  70 -20.233 -13.622 -11.203
  526   2HE   MET  70          HE2       MET  70 -21.620 -14.121 -12.204
  527   3HE   MET  70          HE3       MET  70 -20.236 -13.275 -12.942
  528    H    SER  71           H        SER  71 -19.800  -7.469 -14.576
  529    HA   SER  71           HA       SER  71 -18.893  -9.032 -16.851
  530   1HB   SER  71          HB2       SER  71 -19.744  -6.104 -17.080
  531   2HB   SER  71          HB3       SER  71 -18.966  -7.069 -18.344
  532    HG   SER  71           HG       SER  71 -21.542  -7.476 -17.200
  533    H    ILE  72           H        ILE  72 -16.694  -8.193 -17.494
  534    HA   ILE  72           HA       ILE  72 -15.340  -6.677 -15.376
  535    HB   ILE  72           HB       ILE  72 -13.737  -8.414 -15.001
  536   1HG1  ILE  72          HG12      ILE  72 -13.775  -9.661 -17.103
  537   2HG1  ILE  72          HG13      ILE  72 -13.784 -10.645 -15.664
  538   1HG2  ILE  72          HG21      ILE  72 -14.992  -9.893 -13.582
  539   2HG2  ILE  72          HG22      ILE  72 -15.660  -8.256 -13.501
  540   3HG2  ILE  72          HG23      ILE  72 -16.502  -9.506 -14.425
  541   1HD1  ILE  72          HD11      ILE  72 -16.172 -10.176 -17.486
  542   2HD1  ILE  72          HD12      ILE  72 -15.189 -11.637 -17.352
  543   3HD1  ILE  72          HD13      ILE  72 -16.196 -11.143 -15.986
  544    HA   PRO  73           HA       PRO  73 -12.866  -6.482 -14.959
  545   1HB   PRO  73          HB2       PRO  73 -11.243  -4.310 -15.374
  546   2HB   PRO  73          HB3       PRO  73 -10.728  -6.000 -15.605
  547   1HG   PRO  73          HG2       PRO  73 -11.584  -3.999 -17.686
  548   2HG   PRO  73          HG3       PRO  73 -10.271  -5.217 -17.776
  549   1HD   PRO  73          HD2       PRO  73 -12.764  -5.557 -18.925
  550   2HD   PRO  73          HD3       PRO  73 -11.762  -6.913 -18.343
  551    H    THR  74           H        THR  74 -13.902  -5.243 -13.470
  552    HA   THR  74           HA       THR  74 -15.086  -2.660 -14.311
  553    HB   THR  74           HB       THR  74 -16.538  -4.862 -12.803
  554    HG1  THR  74           HG1      THR  74 -17.295  -5.257 -14.677
  555   1HG2  THR  74          HG21      THR  74 -17.201  -1.928 -13.294
  556   2HG2  THR  74          HG22      THR  74 -18.445  -3.136 -12.927
  557   3HG2  THR  74          HG23      THR  74 -17.162  -2.793 -11.753
  558    H    LEU  75           H        LEU  75 -14.286  -1.181 -13.094
  559    HA   LEU  75           HA       LEU  75 -12.869  -1.834 -10.583
  560   1HB   LEU  75          HB2       LEU  75 -13.077   0.761 -12.164
  561   2HB   LEU  75          HB3       LEU  75 -12.124   0.512 -10.707
  562    HG   LEU  75           HG       LEU  75 -11.667  -0.873 -13.387
  563   1HD1  LEU  75          HD11      LEU  75 -11.067   1.516 -13.394
  564   2HD1  LEU  75          HD12      LEU  75 -10.037   1.268 -11.965
  565   3HD1  LEU  75          HD13      LEU  75  -9.635   0.481 -13.508
  566   1HD2  LEU  75          HD21      LEU  75  -9.540  -1.680 -12.389
  567   2HD2  LEU  75          HD22      LEU  75 -10.064  -1.061 -10.800
  568   3HD2  LEU  75          HD23      LEU  75 -10.959  -2.368 -11.612
  569    H    LEU  76           H        LEU  76 -13.541  -0.923  -8.661
  570    HA   LEU  76           HA       LEU  76 -16.193   0.442  -8.555
  571   1HB   LEU  76          HB2       LEU  76 -15.505  -2.237  -7.606
  572   2HB   LEU  76          HB3       LEU  76 -15.704  -1.186  -6.222
  573    HG   LEU  76           HG       LEU  76 -17.738  -2.398  -6.748
  574   1HD1  LEU  76          HD11      LEU  76 -19.305  -0.549  -6.647
  575   2HD1  LEU  76          HD12      LEU  76 -17.883  -0.205  -5.649
  576   3HD1  LEU  76          HD13      LEU  76 -18.070   0.577  -7.229
  577   1HD2  LEU  76          HD21      LEU  76 -17.497  -2.627  -9.171
  578   2HD2  LEU  76          HD22      LEU  76 -19.059  -1.885  -8.765
  579   3HD2  LEU  76          HD23      LEU  76 -17.733  -0.885  -9.384
  580    H    VAL  77           H        VAL  77 -15.965   2.323  -7.355
  581    HA   VAL  77           HA       VAL  77 -13.362   2.645  -5.916
  582    HB   VAL  77           HB       VAL  77 -15.085   4.926  -6.883
  583   1HG1  VAL  77          HG11      VAL  77 -13.346   5.369  -5.163
  584   2HG1  VAL  77          HG12      VAL  77 -12.109   4.696  -6.243
  585   3HG1  VAL  77          HG13      VAL  77 -12.974   6.183  -6.688
  586   1HG2  VAL  77          HG21      VAL  77 -12.828   3.655  -8.482
  587   2HG2  VAL  77          HG22      VAL  77 -14.535   3.731  -8.961
  588   3HG2  VAL  77          HG23      VAL  77 -13.593   5.218  -8.830
  589    H    LEU  78           H        LEU  78 -13.613   2.738  -3.789
  590    HA   LEU  78           HA       LEU  78 -16.249   3.493  -2.636
  591   1HB   LEU  78          HB2       LEU  78 -14.460   1.226  -1.640
  592   2HB   LEU  78          HB3       LEU  78 -15.886   1.853  -0.842
  593    HG   LEU  78           HG       LEU  78 -17.018   1.220  -3.238
  594   1HD1  LEU  78          HD11      LEU  78 -14.958   0.277  -4.210
  595   2HD1  LEU  78          HD12      LEU  78 -14.800  -0.836  -2.843
  596   3HD1  LEU  78          HD13      LEU  78 -16.171  -0.990  -3.956
  597   1HD2  LEU  78          HD21      LEU  78 -17.844  -0.829  -2.191
  598   2HD2  LEU  78          HD22      LEU  78 -16.570  -0.749  -0.966
  599   3HD2  LEU  78          HD23      LEU  78 -17.827   0.502  -1.029
  600    H    LYS  79           H        LYS  79 -16.018   4.348  -0.426
  601    HA   LYS  79           HA       LYS  79 -13.309   5.007   0.489
  602   1HB   LYS  79          HB2       LYS  79 -14.017   6.878  -1.041
  603   2HB   LYS  79          HB3       LYS  79 -15.420   7.166  -0.000
  604   1HG   LYS  79          HG2       LYS  79 -13.931   7.724   1.895
  605   2HG   LYS  79          HG3       LYS  79 -12.516   7.284   0.919
  606   1HD   LYS  79          HD2       LYS  79 -13.227   9.059  -0.746
  607   2HD   LYS  79          HD3       LYS  79 -14.459   9.582   0.419
  608   1HE   LYS  79          HE2       LYS  79 -12.690  10.130   2.064
  609   2HE   LYS  79          HE3       LYS  79 -11.462   9.458   0.982
  610   1HZ   LYS  79          HZ1       LYS  79 -12.991  11.937   0.584
  611   2HZ   LYS  79          HZ2       LYS  79 -11.347  11.705   0.551
  612   3HZ   LYS  79          HZ3       LYS  79 -12.241  11.158  -0.665
  613    H    ASP  80           H        ASP  80 -13.259   4.664   2.617
  614    HA   ASP  80           HA       ASP  80 -13.955   3.953   4.638
  615   1HB   ASP  80          HB2       ASP  80 -13.862   6.416   4.782
  616   2HB   ASP  80          HB3       ASP  80 -15.592   6.502   4.449
  617    H    GLY  81           H        GLY  81 -15.390   2.527   2.696
  618   1HA   GLY  81          HA2       GLY  81 -16.809   0.778   3.034
  619   2HA   GLY  81          HA3       GLY  81 -17.564   1.597   4.403
  620    H    GLU  82           H        GLU  82 -17.552   3.697   1.666
  621    HA   GLU  82           HA       GLU  82 -20.241   2.715   0.772
  622   1HB   GLU  82          HB2       GLU  82 -19.200   5.574   1.012
  623   2HB   GLU  82          HB3       GLU  82 -20.722   5.114   0.262
  624   1HG   GLU  82          HG2       GLU  82 -19.963   4.785   3.179
  625   2HG   GLU  82          HG3       GLU  82 -21.077   5.968   2.495
  626    H    VAL  83           H        VAL  83 -20.583   2.740  -1.426
  627    HA   VAL  83           HA       VAL  83 -18.310   2.859  -3.276
  628    HB   VAL  83           HB       VAL  83 -21.310   2.667  -3.751
  629   1HG1  VAL  83          HG11      VAL  83 -18.955   2.274  -5.647
  630   2HG1  VAL  83          HG12      VAL  83 -20.632   1.820  -6.020
  631   3HG1  VAL  83          HG13      VAL  83 -20.221   3.514  -5.761
  632   1HG2  VAL  83          HG21      VAL  83 -20.474   0.672  -2.545
  633   2HG2  VAL  83          HG22      VAL  83 -20.913   0.285  -4.208
  634   3HG2  VAL  83          HG23      VAL  83 -19.208   0.465  -3.772
  635    H    VAL  84           H        VAL  84 -17.735   4.491  -4.491
  636    HA   VAL  84           HA       VAL  84 -19.360   6.964  -4.486
  637    HB   VAL  84           HB       VAL  84 -17.400   8.333  -4.389
  638   1HG1  VAL  84          HG11      VAL  84 -16.722   8.016  -2.085
  639   2HG1  VAL  84          HG12      VAL  84 -18.439   7.613  -2.227
  640   3HG1  VAL  84          HG13      VAL  84 -17.233   6.320  -2.098
  641   1HG2  VAL  84          HG21      VAL  84 -15.726   5.808  -4.086
  642   2HG2  VAL  84          HG22      VAL  84 -15.756   6.885  -5.510
  643   3HG2  VAL  84          HG23      VAL  84 -15.145   7.474  -3.960
  644    H    GLU  85           H        GLU  85 -17.566   4.533  -6.371
  645    HA   GLU  85           HA       GLU  85 -18.870   5.683  -8.696
  646   1HB   GLU  85          HB2       GLU  85 -16.078   6.394  -8.209
  647   2HB   GLU  85          HB3       GLU  85 -16.179   5.420  -9.662
  648   1HG   GLU  85          HG2       GLU  85 -17.798   7.941  -9.146
  649   2HG   GLU  85          HG3       GLU  85 -16.284   7.864 -10.022
  650    H    THR  86           H        THR  86 -18.470   4.357 -10.695
  651    HA   THR  86           HA       THR  86 -17.203   1.734 -10.341
  652    HB   THR  86           HB       THR  86 -20.126   2.110 -11.131
  653    HG1  THR  86           HG1      THR  86 -19.134   1.823  -8.856
  654   1HG2  THR  86          HG21      THR  86 -19.372   0.451 -12.643
  655   2HG2  THR  86          HG22      THR  86 -18.371  -0.345 -11.425
  656   3HG2  THR  86          HG23      THR  86 -20.146  -0.424 -11.316
  657    H    SER  87           H        SER  87 -16.274   1.077 -12.289
  658    HA   SER  87           HA       SER  87 -16.767   2.632 -14.772
  659   1HB   SER  87          HB2       SER  87 -14.020   2.387 -13.465
  660   2HB   SER  87          HB3       SER  87 -14.399   3.197 -14.991
  661    HG   SER  87           HG       SER  87 -14.211   4.684 -13.284
  662    H    VAL  88           H        VAL  88 -15.843   1.490 -16.681
  663    HA   VAL  88           HA       VAL  88 -15.281  -1.391 -16.128
  664    HB   VAL  88           HB       VAL  88 -17.225  -0.278 -18.189
  665   1HG1  VAL  88          HG11      VAL  88 -16.289  -2.432 -18.904
  666   2HG1  VAL  88          HG12      VAL  88 -16.652  -3.145 -17.313
  667   3HG1  VAL  88          HG13      VAL  88 -17.961  -2.650 -18.405
  668   1HG2  VAL  88          HG21      VAL  88 -18.230   0.024 -15.965
  669   2HG2  VAL  88          HG22      VAL  88 -19.024  -1.301 -16.806
  670   3HG2  VAL  88          HG23      VAL  88 -17.832  -1.659 -15.541
  671    H    GLY  89           H        GLY  89 -14.008  -2.439 -17.640
  672   1HA   GLY  89          HA2       GLY  89 -12.931  -2.794 -19.652
  673   2HA   GLY  89          HA3       GLY  89 -13.257  -1.135 -20.157
  674    H    PHE  90           H        PHE  90 -10.839  -2.124 -20.734
  675    HA   PHE  90           HA       PHE  90  -8.751  -1.576 -18.827
  676   1HB   PHE  90          HB2       PHE  90  -8.387  -2.947 -20.834
  677   2HB   PHE  90          HB3       PHE  90  -8.789  -1.585 -21.875
  678    HD1  PHE  90           HD1      PHE  90  -7.231   0.353 -22.106
  679    HD2  PHE  90           HD2      PHE  90  -6.198  -3.122 -19.764
  680    HE1  PHE  90           HE1      PHE  90  -4.863   1.083 -22.067
  681    HE2  PHE  90           HE2      PHE  90  -3.821  -2.392 -19.753
  682    HZ   PHE  90           HZ       PHE  90  -3.154  -0.290 -20.889
  683    H    LYS  91           H        LYS  91  -7.788   0.369 -18.310
  684    HA   LYS  91           HA       LYS  91  -8.283   2.786 -19.888
  685   1HB   LYS  91          HB2       LYS  91  -9.292   2.306 -17.079
  686   2HB   LYS  91          HB3       LYS  91  -8.627   3.901 -17.455
  687   1HG   LYS  91          HG2       LYS  91 -10.192   4.299 -19.196
  688   2HG   LYS  91          HG3       LYS  91 -10.744   2.616 -19.202
  689   1HD   LYS  91          HD2       LYS  91 -11.705   2.865 -16.951
  690   2HD   LYS  91          HD3       LYS  91 -11.147   4.542 -16.890
  691   1HE   LYS  91          HE2       LYS  91 -13.525   4.461 -17.449
  692   2HE   LYS  91          HE3       LYS  91 -12.592   5.142 -18.780
  693   1HZ   LYS  91          HZ1       LYS  91 -13.599   2.336 -18.688
  694   2HZ   LYS  91          HZ2       LYS  91 -14.255   3.560 -19.544
  695   3HZ   LYS  91          HZ3       LYS  91 -12.770   3.019 -19.926
  696    HA   PRO  92           HA       PRO  92  -4.015   3.009 -18.833
  697   1HB   PRO  92          HB2       PRO  92  -3.376   5.597 -19.390
  698   2HB   PRO  92          HB3       PRO  92  -3.919   4.451 -20.660
  699   1HG   PRO  92          HG2       PRO  92  -5.598   6.499 -19.184
  700   2HG   PRO  92          HG3       PRO  92  -5.485   6.230 -20.953
  701   1HD   PRO  92          HD2       PRO  92  -7.469   5.112 -19.442
  702   2HD   PRO  92          HD3       PRO  92  -6.747   4.245 -20.830
  703    H    LYS  93           H        LYS  93  -2.441   3.866 -17.247
  704    HA   LYS  93           HA       LYS  93  -3.581   4.081 -14.687
  705   1HB   LYS  93          HB2       LYS  93  -1.317   3.181 -15.257
  706   2HB   LYS  93          HB3       LYS  93  -0.769   4.798 -15.625
  707   1HG   LYS  93          HG2       LYS  93  -1.937   4.684 -12.913
  708   2HG   LYS  93          HG3       LYS  93  -0.770   3.390 -13.140
  709   1HD   LYS  93          HD2       LYS  93   0.425   5.269 -12.277
  710   2HD   LYS  93          HD3       LYS  93   0.887   5.053 -13.988
  711   1HE   LYS  93          HE2       LYS  93  -0.585   6.873 -14.669
  712   2HE   LYS  93          HE3       LYS  93  -1.235   7.019 -13.025
  713   1HZ   LYS  93          HZ1       LYS  93   0.801   7.871 -12.269
  714   2HZ   LYS  93          HZ2       LYS  93   1.601   7.519 -13.673
  715   3HZ   LYS  93          HZ3       LYS  93   0.439   8.676 -13.684
  716    H    GLU  94           H        GLU  94  -2.503   6.661 -16.926
  717    HA   GLU  94           HA       GLU  94  -2.610   8.768 -15.038
  718   1HB   GLU  94          HB2       GLU  94  -2.967   8.697 -18.047
  719   2HB   GLU  94          HB3       GLU  94  -3.018  10.207 -17.136
  720   1HG   GLU  94          HG2       GLU  94  -0.656   8.281 -17.061
  721   2HG   GLU  94          HG3       GLU  94  -0.778   9.660 -18.146
  722    H    ALA  95           H        ALA  95  -5.237   7.259 -16.934
  723    HA   ALA  95           HA       ALA  95  -7.225   9.188 -16.099
  724   1HB   ALA  95          HB1       ALA  95  -7.472   7.811 -18.150
  725   2HB   ALA  95          HB2       ALA  95  -7.492   6.338 -17.141
  726   3HB   ALA  95          HB3       ALA  95  -8.805   7.523 -17.007
  727    H    LEU  96           H        LEU  96  -6.123   5.947 -14.994
  728    HA   LEU  96           HA       LEU  96  -8.136   5.671 -13.001
  729   1HB   LEU  96          HB2       LEU  96  -5.347   4.451 -12.975
  730   2HB   LEU  96          HB3       LEU  96  -6.741   3.976 -11.997
  731    HG   LEU  96           HG       LEU  96  -6.455   3.627 -14.997
  732   1HD1  LEU  96          HD11      LEU  96  -6.488   1.255 -14.484
  733   2HD1  LEU  96          HD12      LEU  96  -5.199   2.034 -13.558
  734   3HD1  LEU  96          HD13      LEU  96  -6.723   1.592 -12.754
  735   1HD2  LEU  96          HD21      LEU  96  -8.779   4.146 -14.620
  736   2HD2  LEU  96          HD22      LEU  96  -8.644   2.396 -14.810
  737   3HD2  LEU  96          HD23      LEU  96  -8.837   3.095 -13.188
  738    H    GLN  97           H        GLN  97  -4.827   7.109 -12.852
  739    HA   GLN  97           HA       GLN  97  -5.080   7.607 -10.031
  740   1HB   GLN  97          HB2       GLN  97  -3.067   8.839 -10.104
  741   2HB   GLN  97          HB3       GLN  97  -2.895   7.430 -11.131
  742   1HG   GLN  97          HG2       GLN  97  -1.850   9.109 -12.340
  743   2HG   GLN  97          HG3       GLN  97  -3.430   8.946 -13.083
  744   1HE2  GLN  97          HE22      GLN  97  -4.275  10.905 -13.680
  745   2HE2  GLN  97          HE21      GLN  97  -3.986  12.420 -12.840
  746    H    GLU  98           H        GLU  98  -6.093   9.379 -12.938
  747    HA   GLU  98           HA       GLU  98  -6.649  11.844 -11.613
  748   1HB   GLU  98          HB2       GLU  98  -6.548  11.635 -14.073
  749   2HB   GLU  98          HB3       GLU  98  -7.986  10.606 -14.061
  750   1HG   GLU  98          HG2       GLU  98  -9.247  12.480 -12.971
  751   2HG   GLU  98          HG3       GLU  98  -7.828  13.511 -13.183
  752    H    LEU  99           H        LEU  99  -8.606   8.939 -12.348
  753    HA   LEU  99           HA       LEU  99 -10.999   9.724 -11.062
  754   1HB   LEU  99          HB2       LEU  99 -10.845   7.829 -12.597
  755   2HB   LEU  99          HB3       LEU  99  -9.775   6.972 -11.494
  756    HG   LEU  99           HG       LEU  99 -11.595   6.767  -9.828
  757   1HD1  LEU  99          HD11      LEU  99 -13.334   8.079 -11.970
  758   2HD1  LEU  99          HD12      LEU  99 -13.931   7.281 -10.500
  759   3HD1  LEU  99          HD13      LEU  99 -12.962   8.747 -10.364
  760   1HD2  LEU  99          HD21      LEU  99 -12.262   5.792 -12.639
  761   2HD2  LEU  99          HD22      LEU  99 -11.205   4.987 -11.460
  762   3HD2  LEU  99          HD23      LEU  99 -12.937   5.130 -11.134
  763    H    VAL 100           H        VAL 100  -8.138   7.994  -9.715
  764    HA   VAL 100           HA       VAL 100  -9.206   7.669  -7.100
  765    HB   VAL 100           HB       VAL 100  -6.399   7.750  -8.252
  766   1HG1  VAL 100          HG11      VAL 100  -7.124   7.347  -5.329
  767   2HG1  VAL 100          HG12      VAL 100  -5.589   6.822  -6.055
  768   3HG1  VAL 100          HG13      VAL 100  -6.004   8.530  -6.022
  769   1HG2  VAL 100          HG21      VAL 100  -8.013   5.484  -7.000
  770   2HG2  VAL 100          HG22      VAL 100  -7.898   5.780  -8.733
  771   3HG2  VAL 100          HG23      VAL 100  -6.443   5.356  -7.830
  772    H    ASN 101           H        ASN 101  -7.046  10.283  -8.417
  773    HA   ASN 101           HA       ASN 101  -7.037  11.658  -5.939
  774   1HB   ASN 101          HB2       ASN 101  -5.524  12.961  -6.847
  775   2HB   ASN 101          HB3       ASN 101  -5.602  11.933  -8.262
  776   1HD2  ASN 101          HD22      ASN 101  -7.419  12.646  -9.919
  777   2HD2  ASN 101          HD21      ASN 101  -7.452  14.371 -10.217
  778    H    LYS 102           H        LYS 102  -9.391  11.737  -8.534
  779    HA   LYS 102           HA       LYS 102 -10.823  14.042  -7.587
  780   1HB   LYS 102          HB2       LYS 102 -11.539  11.675  -9.351
  781   2HB   LYS 102          HB3       LYS 102 -12.764  12.849  -8.867
  782   1HG   LYS 102          HG2       LYS 102 -11.543  14.686  -9.844
  783   2HG   LYS 102          HG3       LYS 102 -10.160  13.653 -10.230
  784   1HD   LYS 102          HD2       LYS 102 -11.440  12.400 -11.859
  785   2HD   LYS 102          HD3       LYS 102 -12.949  13.205 -11.373
  786   1HE   LYS 102          HE2       LYS 102 -12.109  15.370 -12.121
  787   2HE   LYS 102          HE3       LYS 102 -10.531  14.680 -12.513
  788   1HZ   LYS 102          HZ1       LYS 102 -11.461  13.498 -14.321
  789   2HZ   LYS 102          HZ2       LYS 102 -13.019  13.804 -13.854
  790   3HZ   LYS 102          HZ3       LYS 102 -12.072  15.000 -14.425
  791    H    HIS 103           H        HIS 103 -10.618  10.795  -6.236
  792    HA   HIS 103           HA       HIS 103 -12.917  11.467  -4.451
  793   1HB   HIS 103          HB2       HIS 103 -11.821   8.789  -5.357
  794   2HB   HIS 103          HB3       HIS 103 -12.995   8.985  -4.057
  795    HD1  HIS 103           HD1      HIS 103 -15.371  10.379  -4.904
  796    HD2  HIS 103           HD2      HIS 103 -12.875   8.529  -7.740
  797    HE1  HIS 103           HE1      HIS 103 -16.768  10.094  -7.013
  798    H    LEU 104           H        LEU 104  -9.451  11.071  -4.413
  799    HA   LEU 104           HA       LEU 104  -9.093  10.303  -1.713
  800   1HB   LEU 104          HB2       LEU 104  -7.492  12.302  -3.359
  801   2HB   LEU 104          HB3       LEU 104  -7.036  11.733  -1.762
  802    HG   LEU 104           HG       LEU 104  -7.171  10.064  -4.292
  803   1HD1  LEU 104          HD11      LEU 104  -5.212  11.539  -4.073
  804   2HD1  LEU 104          HD12      LEU 104  -4.856  10.835  -2.482
  805   3HD1  LEU 104          HD13      LEU 104  -4.761   9.834  -3.949
  806   1HD2  LEU 104          HD21      LEU 104  -6.651   9.161  -1.437
  807   2HD2  LEU 104          HD22      LEU 104  -7.903   8.583  -2.560
  808   3HD2  LEU 104          HD23      LEU 104  -6.212   8.219  -2.882
  Start of MODEL   12
    1   1H    MET   1          H1        MET   1   2.000   0.441   0.605
    2   2H    MET   1          H2        MET   1   1.445  -1.090   0.747
    3   3H    MET   1          H3        MET   1   3.050  -0.826   0.591
    4    HA   MET   1           HA       MET   1   1.023  -0.246  -1.466
    5   1HB   MET   1          HB2       MET   1   4.048   0.059  -1.537
    6   2HB   MET   1          HB3       MET   1   3.028   0.008  -2.980
    7   1HG   MET   1          HG2       MET   1   1.780   1.957  -2.254
    8   2HG   MET   1          HG3       MET   1   2.692   2.044  -0.745
    9   1HE   MET   1          HE1       MET   1   2.139   4.329  -3.073
   10   2HE   MET   1          HE2       MET   1   2.861   4.665  -1.481
   11   3HE   MET   1          HE3       MET   1   3.684   5.200  -2.965
   12    H    ALA   2           H        ALA   2   0.065  -2.252  -1.399
   13    HA   ALA   2           HA       ALA   2   1.217  -4.153  -3.143
   14   1HB   ALA   2          HB1       ALA   2   0.930  -6.148  -1.679
   15   2HB   ALA   2          HB2       ALA   2   2.241  -5.116  -1.074
   16   3HB   ALA   2          HB3       ALA   2   0.648  -5.096  -0.276
   17    H    ILE   3           H        ILE   3  -0.474  -5.253  -4.112
   18    HA   ILE   3           HA       ILE   3  -3.118  -4.123  -3.681
   19    HB   ILE   3           HB       ILE   3  -1.990  -6.203  -5.604
   20   1HG1  ILE   3          HG12      ILE   3  -2.769  -3.268  -5.952
   21   2HG1  ILE   3          HG13      ILE   3  -1.122  -3.861  -5.815
   22   1HG2  ILE   3          HG21      ILE   3  -4.398  -6.637  -5.316
   23   2HG2  ILE   3          HG22      ILE   3  -4.765  -4.923  -5.574
   24   3HG2  ILE   3          HG23      ILE   3  -4.117  -5.922  -6.894
   25   1HD1  ILE   3          HD11      ILE   3  -1.514  -3.434  -8.087
   26   2HD1  ILE   3          HD12      ILE   3  -1.433  -5.195  -7.879
   27   3HD1  ILE   3          HD13      ILE   3  -3.015  -4.373  -8.104
   28    H    VAL   4           H        VAL   4  -4.876  -5.139  -2.834
   29    HA   VAL   4           HA       VAL   4  -4.313  -7.432  -1.032
   30    HB   VAL   4           HB       VAL   4  -6.538  -5.354  -1.007
   31   1HG1  VAL   4          HG11      VAL   4  -6.797  -6.009   1.400
   32   2HG1  VAL   4          HG12      VAL   4  -7.267  -7.273   0.285
   33   3HG1  VAL   4          HG13      VAL   4  -5.690  -7.366   1.118
   34   1HG2  VAL   4          HG21      VAL   4  -4.427  -4.192  -0.606
   35   2HG2  VAL   4          HG22      VAL   4  -5.276  -4.345   0.926
   36   3HG2  VAL   4          HG23      VAL   4  -3.924  -5.435   0.563
   37    H    LYS   5           H        LYS   5  -6.353  -8.883  -0.729
   38    HA   LYS   5           HA       LYS   5  -7.885  -9.289  -3.232
   39   1HB   LYS   5          HB2       LYS   5  -6.323 -11.512  -1.809
   40   2HB   LYS   5          HB3       LYS   5  -7.465 -11.703  -3.133
   41   1HG   LYS   5          HG2       LYS   5  -5.536 -11.786  -4.337
   42   2HG   LYS   5          HG3       LYS   5  -5.843 -10.056  -4.416
   43   1HD   LYS   5          HD2       LYS   5  -4.245  -9.831  -2.388
   44   2HD   LYS   5          HD3       LYS   5  -3.843 -11.530  -2.657
   45   1HE   LYS   5          HE2       LYS   5  -3.089 -11.031  -4.934
   46   2HE   LYS   5          HE3       LYS   5  -3.664  -9.361  -4.797
   47   1HZ   LYS   5          HZ1       LYS   5  -1.256  -9.587  -4.452
   48   2HZ   LYS   5          HZ2       LYS   5  -1.997  -8.918  -3.159
   49   3HZ   LYS   5          HZ3       LYS   5  -1.500 -10.490  -3.118
   50    H    ALA   6           H        ALA   6  -9.996  -9.868  -2.722
   51    HA   ALA   6           HA       ALA   6 -10.606 -10.804   0.006
   52   1HB   ALA   6          HB1       ALA   6 -10.610  -8.293   0.136
   53   2HB   ALA   6          HB2       ALA   6 -11.849  -8.271  -1.139
   54   3HB   ALA   6          HB3       ALA   6 -12.205  -9.003   0.439
   55    H    THR   7           H        THR   7 -13.080 -11.155   0.199
   56    HA   THR   7           HA       THR   7 -14.360 -11.848  -2.343
   57    HB   THR   7           HB       THR   7 -15.021 -14.062  -1.389
   58    HG1  THR   7           HG1      THR   7 -14.711 -14.323   0.596
   59   1HG2  THR   7          HG21      THR   7 -12.988 -15.271  -1.764
   60   2HG2  THR   7          HG22      THR   7 -12.992 -13.896  -2.884
   61   3HG2  THR   7          HG23      THR   7 -11.984 -13.850  -1.421
   62    H    ASP   8           H        ASP   8 -16.790 -12.474  -1.706
   63    HA   ASP   8           HA       ASP   8 -18.141 -10.354  -0.624
   64   1HB   ASP   8          HB2       ASP   8 -19.220 -12.287  -1.789
   65   2HB   ASP   8          HB3       ASP   8 -18.952 -13.272  -0.366
   66    H    GLN   9           H        GLN   9 -16.734 -13.007   1.197
   67    HA   GLN   9           HA       GLN   9 -17.991 -12.656   3.693
   68   1HB   GLN   9          HB2       GLN   9 -15.271 -13.808   2.921
   69   2HB   GLN   9          HB3       GLN   9 -15.985 -13.938   4.527
   70   1HG   GLN   9          HG2       GLN   9 -16.450 -16.005   3.464
   71   2HG   GLN   9          HG3       GLN   9 -17.969 -15.122   3.541
   72   1HE2  GLN   9          HE22      GLN   9 -18.892 -16.377   1.757
   73   2HE2  GLN   9          HE21      GLN   9 -18.337 -16.144   0.118
   74    H    SER  10           H        SER  10 -15.186 -10.954   2.309
   75    HA   SER  10           HA       SER  10 -14.967  -9.349   4.830
   76   1HB   SER  10          HB2       SER  10 -12.616 -10.533   3.301
   77   2HB   SER  10          HB3       SER  10 -12.562  -9.642   4.830
   78    HG   SER  10           HG       SER  10 -12.427 -11.911   5.131
   79    H    PHE  11           H        PHE  11 -15.279  -9.170   1.467
   80    HA   PHE  11           HA       PHE  11 -13.647  -7.022   0.734
   81   1HB   PHE  11          HB2       PHE  11 -15.008  -8.388  -0.798
   82   2HB   PHE  11          HB3       PHE  11 -16.490  -7.731  -0.114
   83    HD1  PHE  11           HD1      PHE  11 -13.402  -6.885  -2.032
   84    HD2  PHE  11           HD2      PHE  11 -17.387  -5.641  -0.940
   85    HE1  PHE  11           HE1      PHE  11 -13.283  -5.068  -3.686
   86    HE2  PHE  11           HE2      PHE  11 -17.266  -3.817  -2.615
   87    HZ   PHE  11           HZ       PHE  11 -15.230  -3.518  -3.987
   88    H    SER  12           H        SER  12 -16.687  -6.998   2.619
   89    HA   SER  12           HA       SER  12 -17.171  -4.202   2.462
   90   1HB   SER  12          HB2       SER  12 -18.520  -4.822   4.616
   91   2HB   SER  12          HB3       SER  12 -18.997  -5.547   3.072
   92    HG   SER  12           HG       SER  12 -18.855  -7.102   4.755
   93    H    ALA  13           H        ALA  13 -15.516  -6.234   4.885
   94    HA   ALA  13           HA       ALA  13 -14.807  -4.125   6.645
   95   1HB   ALA  13          HB1       ALA  13 -13.353  -6.761   6.126
   96   2HB   ALA  13          HB2       ALA  13 -13.127  -5.700   7.529
   97   3HB   ALA  13          HB3       ALA  13 -14.685  -6.510   7.280
   98    H    GLU  14           H        GLU  14 -13.078  -5.572   3.837
   99    HA   GLU  14           HA       GLU  14 -10.731  -4.014   4.159
  100   1HB   GLU  14          HB2       GLU  14 -11.934  -5.459   1.765
  101   2HB   GLU  14          HB3       GLU  14 -10.394  -4.609   1.657
  102   1HG   GLU  14          HG2       GLU  14 -11.029  -6.838   3.622
  103   2HG   GLU  14          HG3       GLU  14 -10.139  -7.035   2.107
  104    H    THR  15           H        THR  15 -13.743  -3.330   2.315
  105    HA   THR  15           HA       THR  15 -12.593  -0.961   1.162
  106    HB   THR  15           HB       THR  15 -14.968  -0.595   0.370
  107    HG1  THR  15           HG1      THR  15 -15.303  -3.266   1.240
  108   1HG2  THR  15          HG21      THR  15 -13.444  -3.158  -0.309
  109   2HG2  THR  15          HG22      THR  15 -14.823  -2.528  -1.234
  110   3HG2  THR  15          HG23      THR  15 -13.342  -1.579  -1.105
  111    H    SER  16           H        SER  16 -13.362  -1.454   4.312
  112    HA   SER  16           HA       SER  16 -14.694   1.173   4.695
  113   1HB   SER  16          HB2       SER  16 -14.655  -1.292   6.468
  114   2HB   SER  16          HB3       SER  16 -15.481   0.235   6.829
  115    HG   SER  16           HG       SER  16 -16.045  -1.680   4.844
  116    H    GLU  17           H        GLU  17 -11.830   0.947   4.259
  117    HA   GLU  17           HA       GLU  17 -10.921   2.109   6.864
  118   1HB   GLU  17          HB2       GLU  17  -9.343   0.265   5.027
  119   2HB   GLU  17          HB3       GLU  17  -8.729   1.032   6.497
  120   1HG   GLU  17          HG2       GLU  17 -10.533  -0.172   7.799
  121   2HG   GLU  17          HG3       GLU  17 -10.888  -1.094   6.329
  122    H    GLY  18           H        GLY  18 -11.439   2.965   3.651
  123   1HA   GLY  18          HA2       GLY  18 -10.072   5.394   3.697
  124   2HA   GLY  18          HA3       GLY  18  -8.923   4.181   3.056
  125    H    VAL  19           H        VAL  19  -9.116   5.632   1.092
  126    HA   VAL  19           HA       VAL  19 -11.492   5.150  -0.594
  127    HB   VAL  19           HB       VAL  19  -8.725   6.290  -1.225
  128   1HG1  VAL  19          HG11      VAL  19 -11.211   6.100  -3.002
  129   2HG1  VAL  19          HG12      VAL  19  -9.720   6.984  -3.398
  130   3HG1  VAL  19          HG13      VAL  19  -9.687   5.225  -3.252
  131   1HG2  VAL  19          HG21      VAL  19  -9.961   8.426  -1.480
  132   2HG2  VAL  19          HG22      VAL  19 -11.459   7.625  -1.012
  133   3HG2  VAL  19          HG23      VAL  19 -10.127   7.798   0.164
  134    H    VAL  20           H        VAL  20 -11.699   3.288  -1.785
  135    HA   VAL  20           HA       VAL  20  -9.366   1.468  -1.962
  136    HB   VAL  20           HB       VAL  20 -12.142   0.617  -1.045
  137   1HG1  VAL  20          HG11      VAL  20 -10.947  -1.547  -0.600
  138   2HG1  VAL  20          HG12      VAL  20 -10.995  -1.124  -2.315
  139   3HG1  VAL  20          HG13      VAL  20  -9.507  -0.871  -1.392
  140   1HG2  VAL  20          HG21      VAL  20 -10.721   0.011   1.101
  141   2HG2  VAL  20          HG22      VAL  20  -9.629   1.263   0.525
  142   3HG2  VAL  20          HG23      VAL  20 -11.322   1.651   0.870
  143    H    LEU  21           H        LEU  21  -9.037   1.022  -3.983
  144    HA   LEU  21           HA       LEU  21 -11.176   1.219  -6.028
  145   1HB   LEU  21          HB2       LEU  21  -8.908   2.169  -6.500
  146   2HB   LEU  21          HB3       LEU  21  -8.166   0.609  -6.134
  147    HG   LEU  21           HG       LEU  21  -9.382  -0.379  -8.106
  148   1HD1  LEU  21          HD11      LEU  21 -10.155   2.543  -8.577
  149   2HD1  LEU  21          HD12      LEU  21 -10.253   1.266  -9.800
  150   3HD1  LEU  21          HD13      LEU  21 -11.260   1.169  -8.356
  151   1HD2  LEU  21          HD21      LEU  21  -7.635   2.046  -8.704
  152   2HD2  LEU  21          HD22      LEU  21  -7.048   0.429  -8.261
  153   3HD2  LEU  21          HD23      LEU  21  -7.934   0.658  -9.774
  154    H    ALA  22           H        ALA  22 -12.028  -0.720  -6.891
  155    HA   ALA  22           HA       ALA  22 -10.953  -3.304  -5.847
  156   1HB   ALA  22          HB1       ALA  22 -13.818  -2.304  -5.909
  157   2HB   ALA  22          HB2       ALA  22 -13.342  -3.994  -5.658
  158   3HB   ALA  22          HB3       ALA  22 -12.856  -2.741  -4.482
  159    H    ASP  23           H        ASP  23 -10.305  -4.421  -7.522
  160    HA   ASP  23           HA       ASP  23 -11.448  -3.958 -10.224
  161   1HB   ASP  23          HB2       ASP  23  -9.052  -3.803 -10.098
  162   2HB   ASP  23          HB3       ASP  23  -8.944  -5.334  -9.236
  163    H    PHE  24           H        PHE  24 -13.311  -4.978 -10.234
  164    HA   PHE  24           HA       PHE  24 -13.710  -7.736  -9.324
  165   1HB   PHE  24          HB2       PHE  24 -15.419  -5.715 -10.822
  166   2HB   PHE  24          HB3       PHE  24 -15.880  -7.398 -10.645
  167    HD1  PHE  24           HD1      PHE  24 -17.124  -8.078  -8.757
  168    HD2  PHE  24           HD2      PHE  24 -14.862  -4.414  -8.565
  169    HE1  PHE  24           HE1      PHE  24 -17.957  -7.685  -6.465
  170    HE2  PHE  24           HE2      PHE  24 -15.698  -4.040  -6.256
  171    HZ   PHE  24           HZ       PHE  24 -17.202  -5.679  -5.191
  172    H    TRP  25           H        TRP  25 -12.808  -9.329 -10.537
  173    HA   TRP  25           HA       TRP  25 -12.324  -8.863 -13.439
  174   1HB   TRP  25          HB2       TRP  25 -10.058  -9.378 -13.265
  175   2HB   TRP  25          HB3       TRP  25 -10.357  -8.178 -12.032
  176    HD1  TRP  25           HD1      TRP  25 -10.767  -9.384  -9.479
  177    HE1  TRP  25           HE1      TRP  25  -9.430 -11.259  -8.362
  178    HE3  TRP  25           HE3      TRP  25  -8.477 -11.303 -13.632
  179    HZ2  TRP  25           HZ2      TRP  25  -7.496 -13.256  -9.157
  180    HZ3  TRP  25           HZ3      TRP  25  -6.843 -13.153 -13.410
  181    HH2  TRP  25           HH2      TRP  25  -6.375 -14.162 -11.193
  182    H    ALA  26           H        ALA  26 -11.300 -10.985 -14.388
  183    HA   ALA  26           HA       ALA  26 -11.893 -13.430 -12.987
  184   1HB   ALA  26          HB1       ALA  26 -14.092 -12.987 -14.141
  185   2HB   ALA  26          HB2       ALA  26 -13.227 -12.952 -15.697
  186   3HB   ALA  26          HB3       ALA  26 -13.270 -14.439 -14.725
  187    HA   PRO  27           HA       PRO  27  -8.106 -13.955 -15.045
  188   1HB   PRO  27          HB2       PRO  27  -7.674 -16.674 -15.046
  189   2HB   PRO  27          HB3       PRO  27  -7.688 -15.673 -13.565
  190   1HG   PRO  27          HG2       PRO  27  -9.947 -17.338 -14.708
  191   2HG   PRO  27          HG3       PRO  27  -9.365 -17.263 -13.012
  192   1HD   PRO  27          HD2       PRO  27 -11.529 -15.832 -13.887
  193   2HD   PRO  27          HD3       PRO  27 -10.405 -15.180 -12.650
  194    H    TRP  28           H        TRP  28 -10.848 -15.562 -16.607
  195    HA   TRP  28           HA       TRP  28  -9.342 -16.203 -19.017
  196   1HB   TRP  28          HB2       TRP  28 -11.688 -16.783 -19.838
  197   2HB   TRP  28          HB3       TRP  28 -11.005 -17.712 -18.524
  198    HD1  TRP  28           HD1      TRP  28 -12.952 -14.377 -18.103
  199    HE1  TRP  28           HE1      TRP  28 -15.027 -14.802 -16.697
  200    HE3  TRP  28           HE3      TRP  28 -12.506 -19.450 -17.536
  201    HZ2  TRP  28           HZ2      TRP  28 -16.307 -17.052 -15.389
  202    HZ3  TRP  28           HZ3      TRP  28 -14.166 -20.704 -16.186
  203    HH2  TRP  28           HH2      TRP  28 -16.067 -19.517 -15.109
  204    H    CYS  29           H        CYS  29 -10.468 -13.239 -17.815
  205    HA   CYS  29           HA       CYS  29 -11.394 -12.235 -20.444
  206   1HB   CYS  29          HB2       CYS  29 -12.726 -11.706 -18.448
  207   2HB   CYS  29          HB3       CYS  29 -11.313 -10.950 -17.690
  208    HG   CYS  29           HG       CYS  29 -13.190  -9.205 -18.696
  209    H    GLY  30           H        GLY  30  -9.722 -11.702 -21.782
  210   1HA   GLY  30          HA2       GLY  30  -7.050 -11.300 -21.206
  211   2HA   GLY  30          HA3       GLY  30  -7.889 -10.608 -22.600
  212    HA   PRO  31           HA       PRO  31  -7.741  -6.461 -21.006
  213   1HB   PRO  31          HB2       PRO  31 -10.624  -6.570 -20.113
  214   2HB   PRO  31          HB3       PRO  31  -9.754  -5.224 -20.916
  215   1HG   PRO  31          HG2       PRO  31 -11.304  -6.892 -22.373
  216   2HG   PRO  31          HG3       PRO  31  -9.677  -6.444 -22.984
  217   1HD   PRO  31          HD2       PRO  31 -10.541  -8.995 -21.625
  218   2HD   PRO  31          HD3       PRO  31  -9.425  -8.767 -22.998
  219    H    CYS  32           H        CYS  32  -9.241  -8.703 -18.600
  220    HA   CYS  32           HA       CYS  32  -8.596  -7.100 -16.290
  221   1HB   CYS  32          HB2       CYS  32  -8.891 -10.131 -16.551
  222   2HB   CYS  32          HB3       CYS  32  -8.712  -9.240 -15.044
  223    HG   CYS  32           HG       CYS  32 -11.065  -8.820 -17.336
  224    H    LYS  33           H        LYS  33  -6.705  -9.403 -18.284
  225    HA   LYS  33           HA       LYS  33  -4.396  -9.361 -16.489
  226   1HB   LYS  33          HB2       LYS  33  -4.508 -10.084 -19.453
  227   2HB   LYS  33          HB3       LYS  33  -3.194 -10.410 -18.327
  228   1HG   LYS  33          HG2       LYS  33  -4.702 -11.881 -16.991
  229   2HG   LYS  33          HG3       LYS  33  -6.005 -11.594 -18.164
  230   1HD   LYS  33          HD2       LYS  33  -4.597 -12.555 -19.970
  231   2HD   LYS  33          HD3       LYS  33  -3.309 -12.876 -18.783
  232   1HE   LYS  33          HE2       LYS  33  -4.883 -14.314 -17.490
  233   2HE   LYS  33          HE3       LYS  33  -6.145 -14.002 -18.685
  234   1HZ   LYS  33          HZ1       LYS  33  -5.047 -16.103 -19.095
  235   2HZ   LYS  33          HZ2       LYS  33  -4.753 -15.102 -20.346
  236   3HZ   LYS  33          HZ3       LYS  33  -3.588 -15.395 -19.236
  237    H    MET  34           H        MET  34  -5.457  -7.585 -19.435
  238    HA   MET  34           HA       MET  34  -3.036  -6.157 -19.793
  239   1HB   MET  34          HB2       MET  34  -5.859  -5.294 -20.548
  240   2HB   MET  34          HB3       MET  34  -4.369  -4.584 -21.167
  241   1HG   MET  34          HG2       MET  34  -5.193  -7.482 -21.532
  242   2HG   MET  34          HG3       MET  34  -5.394  -6.209 -22.731
  243   1HE   MET  34          HE1       MET  34  -4.233  -7.849 -24.479
  244   2HE   MET  34          HE2       MET  34  -2.629  -8.576 -24.234
  245   3HE   MET  34          HE3       MET  34  -3.992  -9.063 -23.200
  246    H    ILE  35           H        ILE  35  -5.880  -5.371 -17.739
  247    HA   ILE  35           HA       ILE  35  -4.708  -2.803 -17.040
  248    HB   ILE  35           HB       ILE  35  -7.175  -3.372 -17.271
  249   1HG1  ILE  35          HG12      ILE  35  -6.270  -1.818 -14.819
  250   2HG1  ILE  35          HG13      ILE  35  -6.272  -1.233 -16.487
  251   1HG2  ILE  35          HG21      ILE  35  -7.168  -5.377 -15.794
  252   2HG2  ILE  35          HG22      ILE  35  -6.928  -4.316 -14.392
  253   3HG2  ILE  35          HG23      ILE  35  -8.404  -4.196 -15.370
  254   1HD1  ILE  35          HD11      ILE  35  -8.681  -1.924 -14.773
  255   2HD1  ILE  35          HD12      ILE  35  -8.226  -0.358 -15.479
  256   3HD1  ILE  35          HD13      ILE  35  -8.787  -1.672 -16.529
  257    H    ALA  36           H        ALA  36  -3.970  -5.978 -15.998
  258    HA   ALA  36           HA       ALA  36  -3.601  -5.543 -13.225
  259   1HB   ALA  36          HB1       ALA  36  -2.123  -7.466 -13.252
  260   2HB   ALA  36          HB2       ALA  36  -3.550  -7.779 -14.259
  261   3HB   ALA  36          HB3       ALA  36  -1.988  -7.400 -15.015
  262    HA   PRO  37           HA       PRO  37   0.822  -3.976 -13.993
  263   1HB   PRO  37          HB2       PRO  37   1.476  -2.806 -16.429
  264   2HB   PRO  37          HB3       PRO  37   1.837  -4.497 -15.967
  265   1HG   PRO  37          HG2       PRO  37  -0.518  -3.462 -17.571
  266   2HG   PRO  37          HG3       PRO  37   0.542  -4.863 -17.934
  267   1HD   PRO  37          HD2       PRO  37  -1.847  -5.232 -16.769
  268   2HD   PRO  37          HD3       PRO  37  -0.437  -6.164 -16.208
  269    H    VAL  38           H        VAL  38  -1.928  -2.332 -15.655
  270    HA   VAL  38           HA       VAL  38  -1.156   0.325 -14.960
  271    HB   VAL  38           HB       VAL  38  -3.806  -1.013 -15.586
  272   1HG1  VAL  38          HG11      VAL  38  -4.477   0.699 -14.042
  273   2HG1  VAL  38          HG12      VAL  38  -3.417   1.890 -14.820
  274   3HG1  VAL  38          HG13      VAL  38  -4.842   1.253 -15.670
  275   1HG2  VAL  38          HG21      VAL  38  -3.690   0.399 -17.592
  276   2HG2  VAL  38          HG22      VAL  38  -2.145   1.079 -17.036
  277   3HG2  VAL  38          HG23      VAL  38  -2.264  -0.641 -17.459
  278    H    LEU  39           H        LEU  39  -3.053  -2.185 -13.188
  279    HA   LEU  39           HA       LEU  39  -3.519  -0.515 -10.922
  280   1HB   LEU  39          HB2       LEU  39  -3.506  -3.539 -11.245
  281   2HB   LEU  39          HB3       LEU  39  -4.013  -2.721  -9.770
  282    HG   LEU  39           HG       LEU  39  -5.323  -2.166 -12.470
  283   1HD1  LEU  39          HD11      LEU  39  -5.598  -4.531 -11.944
  284   2HD1  LEU  39          HD12      LEU  39  -6.204  -4.124 -10.314
  285   3HD1  LEU  39          HD13      LEU  39  -7.126  -3.667 -11.768
  286   1HD2  LEU  39          HD21      LEU  39  -5.690  -0.419 -10.759
  287   2HD2  LEU  39          HD22      LEU  39  -7.173  -1.306 -11.115
  288   3HD2  LEU  39          HD23      LEU  39  -6.274  -1.655  -9.624
  289    H    GLU  40           H        GLU  40  -0.832  -2.789 -11.712
  290    HA   GLU  40           HA       GLU  40   0.433  -2.492  -9.155
  291   1HB   GLU  40          HB2       GLU  40   1.516  -3.290 -11.882
  292   2HB   GLU  40          HB3       GLU  40   2.499  -3.258 -10.413
  293   1HG   GLU  40          HG2       GLU  40   0.943  -4.845  -9.314
  294   2HG   GLU  40          HG3       GLU  40  -0.022  -4.933 -10.784
  295    H    GLU  41           H        GLU  41   0.711  -0.592 -12.188
  296    HA   GLU  41           HA       GLU  41   2.757   1.172 -11.245
  297   1HB   GLU  41          HB2       GLU  41   0.608   1.429 -13.369
  298   2HB   GLU  41          HB3       GLU  41   1.687   2.761 -12.949
  299   1HG   GLU  41          HG2       GLU  41   3.664   1.359 -13.436
  300   2HG   GLU  41          HG3       GLU  41   2.623   0.020 -13.903
  301    H    LEU  42           H        LEU  42  -0.817   1.180 -10.917
  302    HA   LEU  42           HA       LEU  42  -0.817   3.747  -9.678
  303   1HB   LEU  42          HB2       LEU  42  -2.793   2.470 -10.802
  304   2HB   LEU  42          HB3       LEU  42  -2.890   1.540  -9.308
  305    HG   LEU  42           HG       LEU  42  -3.093   3.872  -8.112
  306   1HD1  LEU  42          HD11      LEU  42  -2.422   5.264 -10.068
  307   2HD1  LEU  42          HD12      LEU  42  -3.817   4.663 -10.984
  308   3HD1  LEU  42          HD13      LEU  42  -4.055   5.652  -9.525
  309   1HD2  LEU  42          HD21      LEU  42  -4.948   2.360  -8.184
  310   2HD2  LEU  42          HD22      LEU  42  -5.551   3.941  -8.682
  311   3HD2  LEU  42          HD23      LEU  42  -5.237   2.684  -9.898
  312    H    ASP  43           H        ASP  43  -0.622   0.393  -8.401
  313    HA   ASP  43           HA       ASP  43  -0.975   1.033  -5.658
  314   1HB   ASP  43          HB2       ASP  43  -1.185  -1.249  -6.438
  315   2HB   ASP  43          HB3       ASP  43   0.465  -1.248  -7.059
  316    H    GLN  44           H        GLN  44   1.969   0.758  -7.724
  317    HA   GLN  44           HA       GLN  44   3.705   1.207  -5.508
  318   1HB   GLN  44          HB2       GLN  44   5.423   0.933  -7.019
  319   2HB   GLN  44          HB3       GLN  44   4.063  -0.015  -7.662
  320   1HG   GLN  44          HG2       GLN  44   3.599   1.900  -9.228
  321   2HG   GLN  44          HG3       GLN  44   5.116   2.637  -8.708
  322   1HE2  GLN  44          HE22      GLN  44   3.786  -0.496  -9.918
  323   2HE2  GLN  44          HE21      GLN  44   5.171  -0.900 -10.924
  324    H    GLU  45           H        GLU  45   1.881   3.358  -7.391
  325    HA   GLU  45           HA       GLU  45   3.506   5.722  -6.643
  326   1HB   GLU  45          HB2       GLU  45   1.190   5.272  -8.544
  327   2HB   GLU  45          HB3       GLU  45   1.795   6.886  -8.129
  328   1HG   GLU  45          HG2       GLU  45   4.063   6.270  -8.898
  329   2HG   GLU  45          HG3       GLU  45   3.493   4.659  -9.334
  330    H    MET  46           H        MET  46   0.278   4.323  -5.982
  331    HA   MET  46           HA       MET  46  -0.250   6.515  -4.014
  332   1HB   MET  46          HB2       MET  46  -2.103   5.351  -6.141
  333   2HB   MET  46          HB3       MET  46  -2.630   6.382  -4.813
  334   1HG   MET  46          HG2       MET  46  -1.168   8.194  -5.604
  335   2HG   MET  46          HG3       MET  46  -0.746   7.221  -7.024
  336   1HE   MET  46          HE1       MET  46  -3.303  10.207  -8.085
  337   2HE   MET  46          HE2       MET  46  -2.259  10.257  -6.646
  338   3HE   MET  46          HE3       MET  46  -1.612   9.662  -8.194
  339    H    GLY  47           H        GLY  47   0.175   3.204  -4.218
  340   1HA   GLY  47          HA2       GLY  47  -2.135   2.142  -2.961
  341   2HA   GLY  47          HA3       GLY  47  -0.586   1.345  -3.174
  342    H    ASP  48           H        ASP  48  -1.498   4.188  -1.330
  343    HA   ASP  48           HA       ASP  48  -1.405   2.971   1.259
  344   1HB   ASP  48          HB2       ASP  48   0.994   3.501   1.073
  345   2HB   ASP  48          HB3       ASP  48   0.610   5.136   0.521
  346    H    LYS  49           H        LYS  49  -1.453   5.906  -0.792
  347    HA   LYS  49           HA       LYS  49  -3.258   7.457   0.782
  348   1HB   LYS  49          HB2       LYS  49  -2.737   7.490  -2.223
  349   2HB   LYS  49          HB3       LYS  49  -3.581   8.739  -1.299
  350   1HG   LYS  49          HG2       LYS  49  -1.486   9.133   0.032
  351   2HG   LYS  49          HG3       LYS  49  -0.659   7.914  -0.940
  352   1HD   LYS  49          HD2       LYS  49  -0.008  10.017  -1.792
  353   2HD   LYS  49          HD3       LYS  49  -1.091   9.295  -2.992
  354   1HE   LYS  49          HE2       LYS  49  -2.953  10.699  -2.172
  355   2HE   LYS  49          HE3       LYS  49  -1.930  11.345  -0.884
  356   1HZ   LYS  49          HZ1       LYS  49  -1.464  11.764  -3.784
  357   2HZ   LYS  49          HZ2       LYS  49  -2.060  12.872  -2.745
  358   3HZ   LYS  49          HZ3       LYS  49  -0.528  12.355  -2.581
  359    H    LEU  50           H        LEU  50  -3.669   4.920  -1.677
  360    HA   LEU  50           HA       LEU  50  -6.389   4.550  -0.701
  361   1HB   LEU  50          HB2       LEU  50  -7.418   4.538  -2.668
  362   2HB   LEU  50          HB3       LEU  50  -6.151   5.658  -3.122
  363    HG   LEU  50           HG       LEU  50  -6.006   2.659  -3.742
  364   1HD1  LEU  50          HD11      LEU  50  -6.826   3.247  -5.988
  365   2HD1  LEU  50          HD12      LEU  50  -8.036   3.470  -4.711
  366   3HD1  LEU  50          HD13      LEU  50  -7.206   4.876  -5.387
  367   1HD2  LEU  50          HD21      LEU  50  -3.868   3.753  -3.926
  368   2HD2  LEU  50          HD22      LEU  50  -4.477   3.383  -5.536
  369   3HD2  LEU  50          HD23      LEU  50  -4.569   5.051  -4.923
  370    H    LYS  51           H        LYS  51  -7.156   2.323  -1.159
  371    HA   LYS  51           HA       LYS  51  -4.941   0.303  -1.113
  372   1HB   LYS  51          HB2       LYS  51  -6.483   0.430   0.853
  373   2HB   LYS  51          HB3       LYS  51  -7.852   0.165  -0.225
  374   1HG   LYS  51          HG2       LYS  51  -6.859  -2.089  -0.822
  375   2HG   LYS  51          HG3       LYS  51  -5.623  -1.806   0.412
  376   1HD   LYS  51          HD2       LYS  51  -8.648  -1.939   0.846
  377   2HD   LYS  51          HD3       LYS  51  -7.487  -3.213   1.220
  378   1HE   LYS  51          HE2       LYS  51  -6.374  -1.687   2.869
  379   2HE   LYS  51          HE3       LYS  51  -7.622  -0.459   2.557
  380   1HZ   LYS  51          HZ1       LYS  51  -8.204  -3.210   3.508
  381   2HZ   LYS  51          HZ2       LYS  51  -8.085  -1.926   4.517
  382   3HZ   LYS  51          HZ3       LYS  51  -9.270  -1.969   3.372
  383    H    ILE  52           H        ILE  52  -5.216  -1.534  -2.602
  384    HA   ILE  52           HA       ILE  52  -7.349  -1.230  -4.654
  385    HB   ILE  52           HB       ILE  52  -4.551  -2.311  -5.161
  386   1HG1  ILE  52          HG12      ILE  52  -5.816   0.359  -5.901
  387   2HG1  ILE  52          HG13      ILE  52  -4.363   0.073  -4.944
  388   1HG2  ILE  52          HG21      ILE  52  -5.258  -2.539  -7.494
  389   2HG2  ILE  52          HG22      ILE  52  -6.334  -3.453  -6.473
  390   3HG2  ILE  52          HG23      ILE  52  -6.866  -1.878  -7.099
  391   1HD1  ILE  52          HD11      ILE  52  -3.325  -0.946  -7.060
  392   2HD1  ILE  52          HD12      ILE  52  -4.704  -0.236  -7.932
  393   3HD1  ILE  52          HD13      ILE  52  -3.582   0.806  -7.037
  394    H    VAL  53           H        VAL  53  -8.589  -3.084  -4.787
  395    HA   VAL  53           HA       VAL  53  -7.640  -5.527  -3.357
  396    HB   VAL  53           HB       VAL  53 -10.476  -4.399  -3.474
  397   1HG1  VAL  53          HG11      VAL  53  -9.347  -6.764  -1.922
  398   2HG1  VAL  53          HG12      VAL  53 -10.981  -6.087  -1.735
  399   3HG1  VAL  53          HG13      VAL  53 -10.514  -6.823  -3.266
  400   1HG2  VAL  53          HG21      VAL  53 -10.310  -3.879  -1.111
  401   2HG2  VAL  53          HG22      VAL  53  -8.633  -4.472  -1.047
  402   3HG2  VAL  53          HG23      VAL  53  -9.036  -3.018  -1.979
  403    H    LYS  54           H        LYS  54  -7.805  -7.377  -4.568
  404    HA   LYS  54           HA       LYS  54  -9.162  -7.317  -7.223
  405   1HB   LYS  54          HB2       LYS  54  -7.431  -9.361  -5.741
  406   2HB   LYS  54          HB3       LYS  54  -8.156  -9.677  -7.305
  407   1HG   LYS  54          HG2       LYS  54  -6.168  -7.433  -6.802
  408   2HG   LYS  54          HG3       LYS  54  -5.772  -9.038  -7.445
  409   1HD   LYS  54          HD2       LYS  54  -7.445  -8.646  -9.295
  410   2HD   LYS  54          HD3       LYS  54  -7.622  -6.974  -8.712
  411   1HE   LYS  54          HE2       LYS  54  -5.398  -6.416  -9.204
  412   2HE   LYS  54          HE3       LYS  54  -4.914  -8.128  -9.342
  413   1HZ   LYS  54          HZ1       LYS  54  -6.128  -8.322 -11.368
  414   2HZ   LYS  54          HZ2       LYS  54  -6.822  -6.853 -11.227
  415   3HZ   LYS  54          HZ3       LYS  54  -5.198  -6.990 -11.530
  416    H    ILE  55           H        ILE  55 -11.080  -8.427  -7.588
  417    HA   ILE  55           HA       ILE  55 -11.797 -10.546  -5.672
  418    HB   ILE  55           HB       ILE  55 -12.756  -8.619  -4.671
  419   1HG1  ILE  55          HG12      ILE  55 -15.008 -10.177  -5.979
  420   2HG1  ILE  55          HG13      ILE  55 -13.943 -10.824  -4.723
  421   1HG2  ILE  55          HG21      ILE  55 -12.950  -7.105  -6.652
  422   2HG2  ILE  55          HG22      ILE  55 -14.364  -8.044  -7.173
  423   3HG2  ILE  55          HG23      ILE  55 -14.392  -7.146  -5.646
  424   1HD1  ILE  55          HD11      ILE  55 -15.830  -8.459  -4.413
  425   2HD1  ILE  55          HD12      ILE  55 -15.940 -10.058  -3.654
  426   3HD1  ILE  55          HD13      ILE  55 -14.628  -8.967  -3.198
  427    H    ASP  56           H        ASP  56 -12.160 -12.310  -6.832
  428    HA   ASP  56           HA       ASP  56 -12.508 -12.151  -9.734
  429   1HB   ASP  56          HB2       ASP  56 -10.946 -13.745  -8.828
  430   2HB   ASP  56          HB3       ASP  56 -12.186 -14.452  -7.788
  431    H    VAL  57           H        VAL  57 -14.559 -11.939 -10.590
  432    HA   VAL  57           HA       VAL  57 -16.890 -12.168  -8.981
  433    HB   VAL  57           HB       VAL  57 -18.176 -11.839 -11.013
  434   1HG1  VAL  57          HG11      VAL  57 -17.334  -9.653 -11.610
  435   2HG1  VAL  57          HG12      VAL  57 -17.064  -9.937  -9.887
  436   3HG1  VAL  57          HG13      VAL  57 -15.703 -10.060 -11.020
  437   1HG2  VAL  57          HG21      VAL  57 -16.951 -13.233 -12.632
  438   2HG2  VAL  57          HG22      VAL  57 -17.133 -11.580 -13.222
  439   3HG2  VAL  57          HG23      VAL  57 -15.573 -12.119 -12.569
  440    H    ASP  58           H        ASP  58 -15.159 -14.663 -10.750
  441    HA   ASP  58           HA       ASP  58 -17.439 -16.431 -11.055
  442   1HB   ASP  58          HB2       ASP  58 -15.411 -16.453 -12.520
  443   2HB   ASP  58          HB3       ASP  58 -14.470 -17.066 -11.155
  444    H    GLU  59           H        GLU  59 -15.832 -15.434  -8.312
  445    HA   GLU  59           HA       GLU  59 -16.874 -17.767  -6.783
  446   1HB   GLU  59          HB2       GLU  59 -14.260 -16.252  -6.346
  447   2HB   GLU  59          HB3       GLU  59 -14.943 -17.369  -5.176
  448   1HG   GLU  59          HG2       GLU  59 -14.003 -18.091  -7.981
  449   2HG   GLU  59          HG3       GLU  59 -13.137 -18.381  -6.481
  450    H    ASN  60           H        ASN  60 -17.550 -14.701  -7.561
  451    HA   ASN  60           HA       ASN  60 -18.340 -13.833  -4.829
  452   1HB   ASN  60          HB2       ASN  60 -16.471 -12.300  -6.680
  453   2HB   ASN  60          HB3       ASN  60 -17.330 -11.563  -5.352
  454   1HD2  ASN  60          HD22      ASN  60 -14.605 -13.522  -6.168
  455   2HD2  ASN  60          HD21      ASN  60 -14.048 -13.805  -4.525
  456    H    GLN  61           H        GLN  61 -20.057 -14.838  -6.579
  457    HA   GLN  61           HA       GLN  61 -21.297 -13.047  -8.410
  458   1HB   GLN  61          HB2       GLN  61 -22.691 -15.191  -6.729
  459   2HB   GLN  61          HB3       GLN  61 -23.225 -14.491  -8.235
  460   1HG   GLN  61          HG2       GLN  61 -22.485 -16.668  -8.713
  461   2HG   GLN  61          HG3       GLN  61 -21.307 -15.562  -9.410
  462   1HE2  GLN  61          HE22      GLN  61 -21.197 -16.368  -5.821
  463   2HE2  GLN  61          HE21      GLN  61 -19.819 -17.412  -6.005
  464    H    GLU  62           H        GLU  62 -21.740 -13.767  -4.964
  465    HA   GLU  62           HA       GLU  62 -23.971 -12.154  -4.468
  466   1HB   GLU  62          HB2       GLU  62 -21.752 -13.084  -2.575
  467   2HB   GLU  62          HB3       GLU  62 -23.336 -12.477  -2.088
  468   1HG   GLU  62          HG2       GLU  62 -23.839 -14.668  -1.966
  469   2HG   GLU  62          HG3       GLU  62 -24.201 -14.470  -3.674
  470    H    THR  63           H        THR  63 -20.487 -11.288  -4.425
  471    HA   THR  63           HA       THR  63 -21.072  -8.685  -3.335
  472    HB   THR  63           HB       THR  63 -18.500  -8.901  -4.655
  473    HG1  THR  63           HG1      THR  63 -17.700 -10.531  -3.207
  474   1HG2  THR  63          HG21      THR  63 -19.274  -8.616  -1.730
  475   2HG2  THR  63          HG22      THR  63 -17.669  -8.297  -2.430
  476   3HG2  THR  63          HG23      THR  63 -19.049  -7.286  -2.887
  477    H    ALA  64           H        ALA  64 -20.191 -10.014  -6.613
  478    HA   ALA  64           HA       ALA  64 -20.078  -7.435  -7.793
  479   1HB   ALA  64          HB1       ALA  64 -20.194  -8.678  -9.929
  480   2HB   ALA  64          HB2       ALA  64 -19.176  -9.571  -8.785
  481   3HB   ALA  64          HB3       ALA  64 -20.838 -10.111  -9.092
  482    H    GLY  65           H        GLY  65 -22.808  -9.777  -7.571
  483   1HA   GLY  65          HA2       GLY  65 -24.769  -8.227  -8.898
  484   2HA   GLY  65          HA3       GLY  65 -25.056  -9.492  -7.688
  485    H    LYS  66           H        LYS  66 -23.342  -7.802  -5.705
  486    HA   LYS  66           HA       LYS  66 -25.503  -6.470  -4.396
  487   1HB   LYS  66          HB2       LYS  66 -23.065  -7.391  -3.620
  488   2HB   LYS  66          HB3       LYS  66 -22.656  -5.694  -3.806
  489   1HG   LYS  66          HG2       LYS  66 -24.609  -5.158  -2.270
  490   2HG   LYS  66          HG3       LYS  66 -24.841  -6.896  -2.047
  491   1HD   LYS  66          HD2       LYS  66 -22.447  -5.205  -1.256
  492   2HD   LYS  66          HD3       LYS  66 -23.574  -6.016  -0.176
  493   1HE   LYS  66          HE2       LYS  66 -21.433  -7.271  -1.938
  494   2HE   LYS  66          HE3       LYS  66 -21.460  -7.185  -0.182
  495   1HZ   LYS  66          HZ1       LYS  66 -23.443  -8.660  -0.253
  496   2HZ   LYS  66          HZ2       LYS  66 -23.208  -8.881  -1.875
  497   3HZ   LYS  66          HZ3       LYS  66 -22.072  -9.362  -0.806
  498    H    TYR  67           H        TYR  67 -23.156  -5.431  -6.816
  499    HA   TYR  67           HA       TYR  67 -24.222  -2.647  -6.668
  500   1HB   TYR  67          HB2       TYR  67 -21.643  -3.397  -8.027
  501   2HB   TYR  67          HB3       TYR  67 -22.135  -1.844  -7.367
  502    HD1  TYR  67           HD1      TYR  67 -22.415  -1.755  -4.711
  503    HD2  TYR  67           HD2      TYR  67 -20.321  -4.884  -6.818
  504    HE1  TYR  67           HE1      TYR  67 -21.379  -2.486  -2.588
  505    HE2  TYR  67           HE2      TYR  67 -19.351  -5.667  -4.722
  506    HH   TYR  67           HH       TYR  67 -20.038  -4.080  -1.546
  507    H    GLY  68           H        GLY  68 -25.089  -5.294  -8.202
  508   1HA   GLY  68          HA2       GLY  68 -26.076  -5.780 -10.180
  509   2HA   GLY  68          HA3       GLY  68 -26.055  -4.053 -10.577
  510    H    VAL  69           H        VAL  69 -23.066  -5.883  -9.892
  511    HA   VAL  69           HA       VAL  69 -22.194  -5.433 -12.699
  512    HB   VAL  69           HB       VAL  69 -20.619  -5.872 -10.122
  513   1HG1  VAL  69          HG11      VAL  69 -18.605  -5.343 -11.532
  514   2HG1  VAL  69          HG12      VAL  69 -19.311  -6.909 -11.854
  515   3HG1  VAL  69          HG13      VAL  69 -19.614  -5.579 -12.993
  516   1HG2  VAL  69          HG21      VAL  69 -20.851  -3.445 -11.983
  517   2HG2  VAL  69          HG22      VAL  69 -21.579  -3.575 -10.375
  518   3HG2  VAL  69          HG23      VAL  69 -19.825  -3.556 -10.544
  519    H    MET  70           H        MET  70 -21.062  -7.035 -13.693
  520    HA   MET  70           HA       MET  70 -20.520  -9.600 -12.749
  521   1HB   MET  70          HB2       MET  70 -23.158  -9.397 -14.036
  522   2HB   MET  70          HB3       MET  70 -22.092 -10.440 -14.974
  523   1HG   MET  70          HG2       MET  70 -22.657 -10.720 -12.002
  524   2HG   MET  70          HG3       MET  70 -23.358 -11.705 -13.285
  525   1HE   MET  70          HE1       MET  70 -20.862 -14.024 -11.179
  526   2HE   MET  70          HE2       MET  70 -21.804 -12.638 -10.585
  527   3HE   MET  70          HE3       MET  70 -22.556 -13.817 -11.684
  528    H    SER  71           H        SER  71 -20.746  -7.201 -15.357
  529    HA   SER  71           HA       SER  71 -18.975  -8.410 -17.209
  530   1HB   SER  71          HB2       SER  71 -19.311  -5.452 -16.555
  531   2HB   SER  71          HB3       SER  71 -18.797  -6.168 -18.093
  532    HG   SER  71           HG       SER  71 -21.005  -5.545 -18.127
  533    H    ILE  72           H        ILE  72 -16.675  -8.013 -17.443
  534    HA   ILE  72           HA       ILE  72 -15.268  -6.690 -15.268
  535    HB   ILE  72           HB       ILE  72 -13.717  -8.477 -14.919
  536   1HG1  ILE  72          HG12      ILE  72 -13.853  -9.731 -17.014
  537   2HG1  ILE  72          HG13      ILE  72 -13.842 -10.697 -15.566
  538   1HG2  ILE  72          HG21      ILE  72 -15.587  -8.239 -13.371
  539   2HG2  ILE  72          HG22      ILE  72 -16.516  -9.435 -14.280
  540   3HG2  ILE  72          HG23      ILE  72 -15.016  -9.911 -13.472
  541   1HD1  ILE  72          HD11      ILE  72 -15.333 -11.662 -17.204
  542   2HD1  ILE  72          HD12      ILE  72 -16.266 -11.142 -15.795
  543   3HD1  ILE  72          HD13      ILE  72 -16.286 -10.176 -17.296
  544    HA   PRO  73           HA       PRO  73 -12.807  -6.520 -14.877
  545   1HB   PRO  73          HB2       PRO  73 -11.196  -4.341 -15.343
  546   2HB   PRO  73          HB3       PRO  73 -10.671  -6.033 -15.530
  547   1HG   PRO  73          HG2       PRO  73 -11.532  -4.087 -17.662
  548   2HG   PRO  73          HG3       PRO  73 -10.218  -5.309 -17.718
  549   1HD   PRO  73          HD2       PRO  73 -12.706  -5.683 -18.860
  550   2HD   PRO  73          HD3       PRO  73 -11.702  -7.021 -18.234
  551    H    THR  74           H        THR  74 -13.752  -5.180 -13.385
  552    HA   THR  74           HA       THR  74 -15.033  -2.672 -14.310
  553    HB   THR  74           HB       THR  74 -16.335  -4.852 -12.640
  554    HG1  THR  74           HG1      THR  74 -17.220  -5.307 -14.444
  555   1HG2  THR  74          HG21      THR  74 -18.303  -3.277 -12.590
  556   2HG2  THR  74          HG22      THR  74 -16.924  -2.709 -11.632
  557   3HG2  THR  74          HG23      THR  74 -17.258  -2.002 -13.222
  558    H    LEU  75           H        LEU  75 -14.367  -1.058 -13.143
  559    HA   LEU  75           HA       LEU  75 -12.749  -1.543 -10.693
  560   1HB   LEU  75          HB2       LEU  75 -12.893   0.823 -12.605
  561   2HB   LEU  75          HB3       LEU  75 -12.001   0.804 -11.093
  562    HG   LEU  75           HG       LEU  75 -11.464  -0.913 -13.556
  563   1HD1  LEU  75          HD11      LEU  75 -10.737   1.446 -13.693
  564   2HD1  LEU  75          HD12      LEU  75  -9.830   1.253 -12.176
  565   3HD1  LEU  75          HD13      LEU  75  -9.347   0.353 -13.620
  566   1HD2  LEU  75          HD21      LEU  75 -10.918  -2.323 -11.673
  567   2HD2  LEU  75          HD22      LEU  75  -9.417  -1.705 -12.344
  568   3HD2  LEU  75          HD23      LEU  75 -10.065  -0.997 -10.846
  569    H    LEU  76           H        LEU  76 -14.109  -1.591  -9.084
  570    HA   LEU  76           HA       LEU  76 -16.344   0.351  -8.770
  571   1HB   LEU  76          HB2       LEU  76 -15.500  -2.246  -7.613
  572   2HB   LEU  76          HB3       LEU  76 -15.789  -1.063  -6.367
  573    HG   LEU  76           HG       LEU  76 -17.737  -2.501  -6.848
  574   1HD1  LEU  76          HD11      LEU  76 -18.175   0.448  -7.403
  575   2HD1  LEU  76          HD12      LEU  76 -19.403  -0.707  -6.855
  576   3HD1  LEU  76          HD13      LEU  76 -18.028  -0.312  -5.810
  577   1HD2  LEU  76          HD21      LEU  76 -17.784  -1.091  -9.550
  578   2HD2  LEU  76          HD22      LEU  76 -17.497  -2.816  -9.246
  579   3HD2  LEU  76          HD23      LEU  76 -19.081  -2.100  -8.884
  580    H    VAL  77           H        VAL  77 -16.074   2.139  -7.341
  581    HA   VAL  77           HA       VAL  77 -13.425   2.342  -5.990
  582    HB   VAL  77           HB       VAL  77 -14.933   4.709  -7.141
  583   1HG1  VAL  77          HG11      VAL  77 -13.330   5.140  -5.281
  584   2HG1  VAL  77          HG12      VAL  77 -12.044   4.340  -6.206
  585   3HG1  VAL  77          HG13      VAL  77 -12.763   5.851  -6.796
  586   1HG2  VAL  77          HG21      VAL  77 -14.267   3.425  -9.113
  587   2HG2  VAL  77          HG22      VAL  77 -13.214   4.829  -8.941
  588   3HG2  VAL  77          HG23      VAL  77 -12.626   3.222  -8.462
  589    H    LEU  78           H        LEU  78 -13.710   2.525  -3.875
  590    HA   LEU  78           HA       LEU  78 -16.354   3.378  -2.784
  591   1HB   LEU  78          HB2       LEU  78 -14.607   1.097  -1.750
  592   2HB   LEU  78          HB3       LEU  78 -16.046   1.741  -0.987
  593    HG   LEU  78           HG       LEU  78 -17.147   1.108  -3.386
  594   1HD1  LEU  78          HD11      LEU  78 -16.289  -1.103  -4.109
  595   2HD1  LEU  78          HD12      LEU  78 -15.093   0.177  -4.373
  596   3HD1  LEU  78          HD13      LEU  78 -14.911  -0.931  -3.008
  597   1HD2  LEU  78          HD21      LEU  78 -16.701  -0.885  -1.134
  598   2HD2  LEU  78          HD22      LEU  78 -17.961   0.363  -1.188
  599   3HD2  LEU  78          HD23      LEU  78 -17.972  -0.954  -2.367
  600    H    LYS  79           H        LYS  79 -16.162   4.224  -0.578
  601    HA   LYS  79           HA       LYS  79 -13.455   4.927   0.334
  602   1HB   LYS  79          HB2       LYS  79 -14.225   6.800  -1.135
  603   2HB   LYS  79          HB3       LYS  79 -15.638   7.022  -0.089
  604   1HG   LYS  79          HG2       LYS  79 -14.185   7.612   1.811
  605   2HG   LYS  79          HG3       LYS  79 -12.745   7.208   0.864
  606   1HD   LYS  79          HD2       LYS  79 -13.516   9.001  -0.818
  607   2HD   LYS  79          HD3       LYS  79 -14.697   9.507   0.403
  608   1HE   LYS  79          HE2       LYS  79 -12.858   9.998   1.992
  609   2HE   LYS  79          HE3       LYS  79 -11.681   9.338   0.848
  610   1HZ   LYS  79          HZ1       LYS  79 -11.582  11.630   0.511
  611   2HZ   LYS  79          HZ2       LYS  79 -12.458  11.097  -0.726
  612   3HZ   LYS  79          HZ3       LYS  79 -13.225  11.829   0.537
  613    H    ASP  80           H        ASP  80 -13.394   4.422   2.446
  614    HA   ASP  80           HA       ASP  80 -14.045   3.732   4.475
  615   1HB   ASP  80          HB2       ASP  80 -13.935   6.193   4.612
  616   2HB   ASP  80          HB3       ASP  80 -15.672   6.288   4.322
  617    H    GLY  81           H        GLY  81 -15.539   2.341   2.552
  618   1HA   GLY  81          HA2       GLY  81 -16.869   0.542   3.088
  619   2HA   GLY  81          HA3       GLY  81 -17.750   1.478   4.291
  620    H    GLU  82           H        GLU  82 -17.794   3.458   1.527
  621    HA   GLU  82           HA       GLU  82 -20.202   2.091   0.440
  622   1HB   GLU  82          HB2       GLU  82 -21.418   4.088   0.507
  623   2HB   GLU  82          HB3       GLU  82 -20.658   3.907   2.096
  624   1HG   GLU  82          HG2       GLU  82 -18.940   5.573   1.474
  625   2HG   GLU  82          HG3       GLU  82 -19.694   5.774  -0.111
  626    H    VAL  83           H        VAL  83 -20.668   2.489  -1.759
  627    HA   VAL  83           HA       VAL  83 -18.381   2.776  -3.488
  628    HB   VAL  83           HB       VAL  83 -21.356   2.718  -4.106
  629   1HG1  VAL  83          HG11      VAL  83 -18.924   2.239  -5.879
  630   2HG1  VAL  83          HG12      VAL  83 -20.600   1.890  -6.353
  631   3HG1  VAL  83          HG13      VAL  83 -20.111   3.552  -6.034
  632   1HG2  VAL  83          HG21      VAL  83 -20.737   0.658  -2.922
  633   2HG2  VAL  83          HG22      VAL  83 -20.997   0.316  -4.629
  634   3HG2  VAL  83          HG23      VAL  83 -19.346   0.432  -4.000
  635    H    VAL  84           H        VAL  84 -17.724   4.410  -4.648
  636    HA   VAL  84           HA       VAL  84 -19.237   6.952  -4.652
  637    HB   VAL  84           HB       VAL  84 -17.136   8.201  -4.582
  638   1HG1  VAL  84          HG11      VAL  84 -17.408   6.372  -2.156
  639   2HG1  VAL  84          HG12      VAL  84 -16.696   7.998  -2.206
  640   3HG1  VAL  84          HG13      VAL  84 -18.428   7.786  -2.497
  641   1HG2  VAL  84          HG21      VAL  84 -15.024   7.202  -3.894
  642   2HG2  VAL  84          HG22      VAL  84 -15.747   5.587  -3.859
  643   3HG2  VAL  84          HG23      VAL  84 -15.561   6.454  -5.403
  644    H    GLU  85           H        GLU  85 -17.567   4.454  -6.534
  645    HA   GLU  85           HA       GLU  85 -18.870   5.632  -8.823
  646   1HB   GLU  85          HB2       GLU  85 -16.064   6.285  -8.447
  647   2HB   GLU  85          HB3       GLU  85 -16.190   5.233  -9.837
  648   1HG   GLU  85          HG2       GLU  85 -17.801   7.799  -9.473
  649   2HG   GLU  85          HG3       GLU  85 -16.295   7.667 -10.356
  650    H    THR  86           H        THR  86 -18.635   4.253 -10.789
  651    HA   THR  86           HA       THR  86 -17.411   1.607 -10.467
  652    HB   THR  86           HB       THR  86 -20.363   2.041 -11.098
  653    HG1  THR  86           HG1      THR  86 -19.286   1.759  -8.882
  654   1HG2  THR  86          HG21      THR  86 -18.672  -0.452 -11.468
  655   2HG2  THR  86          HG22      THR  86 -20.441  -0.492 -11.282
  656   3HG2  THR  86          HG23      THR  86 -19.709   0.361 -12.647
  657    H    SER  87           H        SER  87 -16.398   1.112 -12.347
  658    HA   SER  87           HA       SER  87 -17.132   2.463 -14.901
  659   1HB   SER  87          HB2       SER  87 -14.326   2.387 -13.696
  660   2HB   SER  87          HB3       SER  87 -14.805   3.150 -15.219
  661    HG   SER  87           HG       SER  87 -16.076   4.616 -13.991
  662    H    VAL  88           H        VAL  88 -16.235   1.260 -16.791
  663    HA   VAL  88           HA       VAL  88 -15.545  -1.568 -16.117
  664    HB   VAL  88           HB       VAL  88 -17.599  -0.635 -18.158
  665   1HG1  VAL  88          HG11      VAL  88 -16.872  -3.426 -17.157
  666   2HG1  VAL  88          HG12      VAL  88 -18.248  -3.047 -18.216
  667   3HG1  VAL  88          HG13      VAL  88 -16.608  -2.786 -18.796
  668   1HG2  VAL  88          HG21      VAL  88 -18.064  -1.894 -15.423
  669   2HG2  VAL  88          HG22      VAL  88 -18.535  -0.251 -15.917
  670   3HG2  VAL  88          HG23      VAL  88 -19.310  -1.644 -16.661
  671    H    GLY  89           H        GLY  89 -14.283  -2.646 -17.645
  672   1HA   GLY  89          HA2       GLY  89 -13.039  -2.987 -19.553
  673   2HA   GLY  89          HA3       GLY  89 -13.552  -1.425 -20.197
  674    H    PHE  90           H        PHE  90 -11.041  -1.965 -20.672
  675    HA   PHE  90           HA       PHE  90  -9.081  -1.364 -18.704
  676   1HB   PHE  90          HB2       PHE  90  -8.610  -2.483 -20.850
  677   2HB   PHE  90          HB3       PHE  90  -9.039  -1.019 -21.728
  678    HD1  PHE  90           HD1      PHE  90  -6.531  -2.567 -19.448
  679    HD2  PHE  90           HD2      PHE  90  -7.478   0.840 -21.924
  680    HE1  PHE  90           HE1      PHE  90  -4.198  -1.739 -19.218
  681    HE2  PHE  90           HE2      PHE  90  -5.149   1.661 -21.681
  682    HZ   PHE  90           HZ       PHE  90  -3.508   0.373 -20.324
  683    H    LYS  91           H        LYS  91  -7.848   0.552 -18.376
  684    HA   LYS  91           HA       LYS  91  -8.478   3.008 -19.703
  685   1HB   LYS  91          HB2       LYS  91  -9.580   2.492 -16.997
  686   2HB   LYS  91          HB3       LYS  91  -8.523   3.894 -17.019
  687   1HG   LYS  91          HG2       LYS  91  -9.849   5.138 -18.389
  688   2HG   LYS  91          HG3       LYS  91 -10.476   3.772 -19.292
  689   1HD   LYS  91          HD2       LYS  91 -11.284   4.454 -16.443
  690   2HD   LYS  91          HD3       LYS  91 -12.173   4.946 -17.883
  691   1HE   LYS  91          HE2       LYS  91 -11.692   2.064 -16.981
  692   2HE   LYS  91          HE3       LYS  91 -13.196   2.974 -16.822
  693   1HZ   LYS  91          HZ1       LYS  91 -13.354   1.588 -18.719
  694   2HZ   LYS  91          HZ2       LYS  91 -13.228   3.112 -19.290
  695   3HZ   LYS  91          HZ3       LYS  91 -11.928   2.097 -19.348
  696    HA   PRO  92           HA       PRO  92  -4.125   3.020 -18.744
  697   1HB   PRO  92          HB2       PRO  92  -3.396   5.611 -19.228
  698   2HB   PRO  92          HB3       PRO  92  -3.877   4.483 -20.531
  699   1HG   PRO  92          HG2       PRO  92  -5.587   6.571 -19.151
  700   2HG   PRO  92          HG3       PRO  92  -5.425   6.260 -20.907
  701   1HD   PRO  92          HD2       PRO  92  -7.487   5.242 -19.412
  702   2HD   PRO  92          HD3       PRO  92  -6.779   4.340 -20.788
  703    H    LYS  93           H        LYS  93  -2.591   3.775 -17.120
  704    HA   LYS  93           HA       LYS  93  -3.685   4.147 -14.559
  705   1HB   LYS  93          HB2       LYS  93  -1.467   3.133 -15.163
  706   2HB   LYS  93          HB3       LYS  93  -0.872   4.728 -15.579
  707   1HG   LYS  93          HG2       LYS  93  -1.965   4.821 -12.865
  708   2HG   LYS  93          HG3       LYS  93  -0.966   3.387 -13.025
  709   1HD   LYS  93          HD2       LYS  93   0.487   5.100 -12.294
  710   2HD   LYS  93          HD3       LYS  93   0.854   4.838 -14.014
  711   1HE   LYS  93          HE2       LYS  93  -0.468   6.831 -14.623
  712   2HE   LYS  93          HE3       LYS  93  -0.932   7.058 -12.926
  713   1HZ   LYS  93          HZ1       LYS  93   0.923   8.499 -13.534
  714   2HZ   LYS  93          HZ2       LYS  93   1.404   7.416 -12.399
  715   3HZ   LYS  93          HZ3       LYS  93   1.843   7.218 -13.963
  716    H    GLU  94           H        GLU  94  -2.518   6.587 -16.913
  717    HA   GLU  94           HA       GLU  94  -2.488   8.745 -15.084
  718   1HB   GLU  94          HB2       GLU  94  -2.962   8.726 -18.095
  719   2HB   GLU  94          HB3       GLU  94  -2.664  10.184 -17.136
  720   1HG   GLU  94          HG2       GLU  94  -0.464   9.258 -16.420
  721   2HG   GLU  94          HG3       GLU  94  -0.738   7.837 -17.430
  722    H    ALA  95           H        ALA  95  -5.182   7.455 -17.029
  723    HA   ALA  95           HA       ALA  95  -7.051   9.501 -16.218
  724   1HB   ALA  95          HB1       ALA  95  -7.331   8.135 -18.261
  725   2HB   ALA  95          HB2       ALA  95  -7.439   6.664 -17.255
  726   3HB   ALA  95          HB3       ALA  95  -8.706   7.907 -17.151
  727    H    LEU  96           H        LEU  96  -6.205   6.196 -15.124
  728    HA   LEU  96           HA       LEU  96  -8.262   6.003 -13.201
  729   1HB   LEU  96          HB2       LEU  96  -7.029   4.105 -14.171
  730   2HB   LEU  96          HB3       LEU  96  -5.556   4.618 -13.339
  731    HG   LEU  96           HG       LEU  96  -6.517   4.138 -11.174
  732   1HD1  LEU  96          HD11      LEU  96  -9.100   3.483 -12.653
  733   2HD1  LEU  96          HD12      LEU  96  -8.765   3.047 -10.958
  734   3HD1  LEU  96          HD13      LEU  96  -8.858   4.739 -11.420
  735   1HD2  LEU  96          HD21      LEU  96  -5.482   2.298 -12.448
  736   2HD2  LEU  96          HD22      LEU  96  -6.797   1.684 -11.442
  737   3HD2  LEU  96          HD23      LEU  96  -7.050   1.895 -13.182
  738    H    GLN  97           H        GLN  97  -4.866   7.223 -12.905
  739    HA   GLN  97           HA       GLN  97  -5.155   7.640 -10.072
  740   1HB   GLN  97          HB2       GLN  97  -3.085   8.766 -10.076
  741   2HB   GLN  97          HB3       GLN  97  -2.961   7.387 -11.148
  742   1HG   GLN  97          HG2       GLN  97  -1.802   9.058 -12.256
  743   2HG   GLN  97          HG3       GLN  97  -3.359   8.981 -13.062
  744   1HE2  GLN  97          HE22      GLN  97  -4.074  10.986 -13.652
  745   2HE2  GLN  97          HE21      GLN  97  -3.768  12.466 -12.757
  746    H    GLU  98           H        GLU  98  -6.009   9.556 -12.948
  747    HA   GLU  98           HA       GLU  98  -6.431  12.004 -11.537
  748   1HB   GLU  98          HB2       GLU  98  -6.217  11.951 -13.963
  749   2HB   GLU  98          HB3       GLU  98  -7.672  10.966 -14.122
  750   1HG   GLU  98          HG2       GLU  98  -9.055  12.762 -13.228
  751   2HG   GLU  98          HG3       GLU  98  -7.624  13.746 -12.894
  752    H    LEU  99           H        LEU  99  -8.537   9.249 -12.418
  753    HA   LEU  99           HA       LEU  99 -10.922  10.177 -11.206
  754   1HB   LEU  99          HB2       LEU  99 -10.814   8.264 -12.755
  755   2HB   LEU  99          HB3       LEU  99  -9.887   7.335 -11.580
  756    HG   LEU  99           HG       LEU  99 -11.818   7.338 -10.017
  757   1HD1  LEU  99          HD11      LEU  99 -12.971   9.403 -10.661
  758   2HD1  LEU  99          HD12      LEU  99 -13.272   8.763 -12.295
  759   3HD1  LEU  99          HD13      LEU  99 -14.052   8.033 -10.876
  760   1HD2  LEU  99          HD21      LEU  99 -11.498   5.483 -11.594
  761   2HD2  LEU  99          HD22      LEU  99 -13.221   5.783 -11.317
  762   3HD2  LEU  99          HD23      LEU  99 -12.458   6.337 -12.823
  763    H    VAL 100           H        VAL 100  -8.258   8.185  -9.809
  764    HA   VAL 100           HA       VAL 100  -9.449   7.906  -7.246
  765    HB   VAL 100           HB       VAL 100  -6.620   7.690  -8.312
  766   1HG1  VAL 100          HG11      VAL 100  -6.266   8.411  -6.010
  767   2HG1  VAL 100          HG12      VAL 100  -7.460   7.236  -5.418
  768   3HG1  VAL 100          HG13      VAL 100  -5.925   6.694  -6.152
  769   1HG2  VAL 100          HG21      VAL 100  -7.021   5.295  -7.815
  770   2HG2  VAL 100          HG22      VAL 100  -8.632   5.682  -7.184
  771   3HG2  VAL 100          HG23      VAL 100  -8.265   5.921  -8.899
  772    H    ASN 101           H        ASN 101  -7.063  10.373  -8.444
  773    HA   ASN 101           HA       ASN 101  -6.905  11.609  -5.908
  774   1HB   ASN 101          HB2       ASN 101  -5.331  12.871  -6.768
  775   2HB   ASN 101          HB3       ASN 101  -5.487  11.912  -8.223
  776   1HD2  ASN 101          HD22      ASN 101  -7.213  12.813  -9.860
  777   2HD2  ASN 101          HD21      ASN 101  -7.154  14.548 -10.069
  778    H    LYS 102           H        LYS 102  -9.299  12.030  -8.441
  779    HA   LYS 102           HA       LYS 102 -10.535  14.369  -7.276
  780   1HB   LYS 102          HB2       LYS 102 -11.590  12.173  -9.104
  781   2HB   LYS 102          HB3       LYS 102 -12.569  13.543  -8.575
  782   1HG   LYS 102          HG2       LYS 102 -11.102  15.140  -9.640
  783   2HG   LYS 102          HG3       LYS 102  -9.898  13.906  -9.993
  784   1HD   LYS 102          HD2       LYS 102 -11.093  14.436 -12.013
  785   2HD   LYS 102          HD3       LYS 102 -11.465  12.773 -11.534
  786   1HE   LYS 102          HE2       LYS 102 -13.626  13.526 -10.568
  787   2HE   LYS 102          HE3       LYS 102 -13.233  15.202 -10.970
  788   1HZ   LYS 102          HZ1       LYS 102 -14.695  14.216 -12.611
  789   2HZ   LYS 102          HZ2       LYS 102 -13.275  14.586 -13.313
  790   3HZ   LYS 102          HZ3       LYS 102 -13.631  13.031 -12.949
  791    H    HIS 103           H        HIS 103 -10.700  10.907  -6.440
  792    HA   HIS 103           HA       HIS 103 -13.009  11.374  -4.658
  793   1HB   HIS 103          HB2       HIS 103 -11.457   8.883  -5.446
  794   2HB   HIS 103          HB3       HIS 103 -12.700   8.894  -4.202
  795    HD1  HIS 103           HD1      HIS 103 -15.195  10.054  -5.234
  796    HD2  HIS 103           HD2      HIS 103 -12.417   8.159  -7.765
  797    HE1  HIS 103           HE1      HIS 103 -16.477   9.362  -7.323
  798    H    LEU 104           H        LEU 104  -9.503  11.200  -4.395
  799    HA   LEU 104           HA       LEU 104  -9.225  10.482  -1.683
  800   1HB   LEU 104          HB2       LEU 104  -7.640  12.513  -3.293
  801   2HB   LEU 104          HB3       LEU 104  -7.211  11.987  -1.676
  802    HG   LEU 104           HG       LEU 104  -7.283  10.205  -4.139
  803   1HD1  LEU 104          HD11      LEU 104  -4.974  11.242  -2.458
  804   2HD1  LEU 104          HD12      LEU 104  -4.846  10.159  -3.868
  805   3HD1  LEU 104          HD13      LEU 104  -5.412  11.823  -4.075
  806   1HD2  LEU 104          HD21      LEU 104  -7.849   8.819  -2.238
  807   2HD2  LEU 104          HD22      LEU 104  -6.176   8.508  -2.679
  808   3HD2  LEU 104          HD23      LEU 104  -6.537   9.526  -1.266
  Start of MODEL   13
    1   1H    MET   1          H1        MET   1   4.195  -2.612   0.980
    2   2H    MET   1          H2        MET   1   4.435  -1.304   0.034
    3   3H    MET   1          H3        MET   1   3.940  -1.112   1.589
    4    HA   MET   1           HA       MET   1   1.865  -2.201   1.122
    5   1HB   MET   1          HB2       MET   1   2.027   0.274   0.926
    6   2HB   MET   1          HB3       MET   1   2.408   0.116  -0.791
    7   1HG   MET   1          HG2       MET   1   0.046   0.686  -0.360
    8   2HG   MET   1          HG3       MET   1   0.216  -0.820  -1.247
    9   1HE   MET   1          HE1       MET   1  -2.561   0.021   0.049
   10   2HE   MET   1          HE2       MET   1  -2.244  -1.474  -0.860
   11   3HE   MET   1          HE3       MET   1  -3.046  -1.548   0.726
   12    H    ALA   2           H        ALA   2   0.461  -3.264  -0.365
   13    HA   ALA   2           HA       ALA   2   1.270  -3.885  -3.095
   14   1HB   ALA   2          HB1       ALA   2   2.544  -5.621  -1.813
   15   2HB   ALA   2          HB2       ALA   2   1.042  -6.090  -0.979
   16   3HB   ALA   2          HB3       ALA   2   1.207  -6.332  -2.729
   17    H    ILE   3           H        ILE   3  -0.419  -5.105  -4.119
   18    HA   ILE   3           HA       ILE   3  -3.028  -4.088  -3.534
   19    HB   ILE   3           HB       ILE   3  -1.914  -6.159  -5.476
   20   1HG1  ILE   3          HG12      ILE   3  -2.702  -3.232  -5.819
   21   2HG1  ILE   3          HG13      ILE   3  -1.061  -3.860  -5.752
   22   1HG2  ILE   3          HG21      ILE   3  -4.314  -6.637  -5.208
   23   2HG2  ILE   3          HG22      ILE   3  -4.711  -4.924  -5.467
   24   3HG2  ILE   3          HG23      ILE   3  -4.033  -5.916  -6.777
   25   1HD1  ILE   3          HD11      ILE   3  -1.508  -3.413  -7.999
   26   2HD1  ILE   3          HD12      ILE   3  -1.506  -5.176  -7.825
   27   3HD1  ILE   3          HD13      ILE   3  -3.051  -4.275  -7.975
   28    H    VAL   4           H        VAL   4  -4.926  -5.454  -3.073
   29    HA   VAL   4           HA       VAL   4  -4.282  -7.579  -1.083
   30    HB   VAL   4           HB       VAL   4  -6.431  -5.424  -0.961
   31   1HG1  VAL   4          HG11      VAL   4  -6.499  -5.995   1.480
   32   2HG1  VAL   4          HG12      VAL   4  -7.078  -7.284   0.450
   33   3HG1  VAL   4          HG13      VAL   4  -5.439  -7.381   1.153
   34   1HG2  VAL   4          HG21      VAL   4  -4.290  -4.275  -0.767
   35   2HG2  VAL   4          HG22      VAL   4  -5.013  -4.373   0.831
   36   3HG2  VAL   4          HG23      VAL   4  -3.701  -5.485   0.395
   37    H    LYS   5           H        LYS   5  -6.345  -8.916  -0.617
   38    HA   LYS   5           HA       LYS   5  -7.964  -9.403  -3.068
   39   1HB   LYS   5          HB2       LYS   5  -6.011 -11.067  -2.707
   40   2HB   LYS   5          HB3       LYS   5  -6.793 -11.499  -1.196
   41   1HG   LYS   5          HG2       LYS   5  -7.367 -13.183  -2.738
   42   2HG   LYS   5          HG3       LYS   5  -8.819 -12.242  -2.466
   43   1HD   LYS   5          HD2       LYS   5  -8.560 -12.861  -4.835
   44   2HD   LYS   5          HD3       LYS   5  -8.564 -11.124  -4.618
   45   1HE   LYS   5          HE2       LYS   5  -6.881 -11.704  -6.256
   46   2HE   LYS   5          HE3       LYS   5  -6.089 -11.060  -4.820
   47   1HZ   LYS   5          HZ1       LYS   5  -6.323 -13.948  -5.502
   48   2HZ   LYS   5          HZ2       LYS   5  -4.980 -13.047  -5.675
   49   3HZ   LYS   5          HZ3       LYS   5  -5.552 -13.361  -4.185
   50    H    ALA   6           H        ALA   6 -10.111  -9.944  -2.531
   51    HA   ALA   6           HA       ALA   6 -10.783 -10.571   0.252
   52   1HB   ALA   6          HB1       ALA   6 -12.545  -8.890   0.418
   53   2HB   ALA   6          HB2       ALA   6 -10.995  -8.080   0.148
   54   3HB   ALA   6          HB3       ALA   6 -12.148  -8.260  -1.196
   55    H    THR   7           H        THR   7 -13.171 -11.148   0.401
   56    HA   THR   7           HA       THR   7 -14.377 -12.103  -2.094
   57    HB   THR   7           HB       THR   7 -14.930 -14.260  -0.967
   58    HG1  THR   7           HG1      THR   7 -14.648 -14.342   1.027
   59   1HG2  THR   7          HG21      THR   7 -12.922 -14.141  -2.460
   60   2HG2  THR   7          HG22      THR   7 -11.913 -13.876  -1.020
   61   3HG2  THR   7          HG23      THR   7 -12.824 -15.388  -1.200
   62    H    ASP   8           H        ASP   8 -16.794 -12.739  -1.414
   63    HA   ASP   8           HA       ASP   8 -18.066 -10.473  -0.501
   64   1HB   ASP   8          HB2       ASP   8 -19.106 -12.516  -1.657
   65   2HB   ASP   8          HB3       ASP   8 -19.188 -13.270  -0.074
   66    H    GLN   9           H        GLN   9 -16.800 -13.071   1.444
   67    HA   GLN   9           HA       GLN   9 -18.130 -12.628   3.901
   68   1HB   GLN   9          HB2       GLN   9 -15.389 -13.810   3.253
   69   2HB   GLN   9          HB3       GLN   9 -16.174 -13.902   4.827
   70   1HG   GLN   9          HG2       GLN   9 -16.605 -15.994   3.817
   71   2HG   GLN   9          HG3       GLN   9 -18.121 -15.104   3.757
   72   1HE2  GLN   9          HE22      GLN   9 -18.907 -16.450   1.956
   73   2HE2  GLN   9          HE21      GLN   9 -18.242 -16.260   0.351
   74    H    SER  10           H        SER  10 -15.309 -10.993   2.477
   75    HA   SER  10           HA       SER  10 -15.079  -9.312   4.944
   76   1HB   SER  10          HB2       SER  10 -12.745 -10.538   3.426
   77   2HB   SER  10          HB3       SER  10 -12.674  -9.606   4.930
   78    HG   SER  10           HG       SER  10 -12.539 -11.866   5.293
   79    H    PHE  11           H        PHE  11 -15.453  -9.200   1.587
   80    HA   PHE  11           HA       PHE  11 -13.842  -7.066   0.775
   81   1HB   PHE  11          HB2       PHE  11 -15.295  -8.434  -0.685
   82   2HB   PHE  11          HB3       PHE  11 -16.729  -7.724   0.044
   83    HD1  PHE  11           HD1      PHE  11 -13.935  -7.222  -2.301
   84    HD2  PHE  11           HD2      PHE  11 -17.368  -5.362  -0.462
   85    HE1  PHE  11           HE1      PHE  11 -13.898  -5.456  -4.020
   86    HE2  PHE  11           HE2      PHE  11 -17.293  -3.562  -2.168
   87    HZ   PHE  11           HZ       PHE  11 -15.594  -3.621  -3.969
   88    H    SER  12           H        SER  12 -16.837  -6.987   2.736
   89    HA   SER  12           HA       SER  12 -17.253  -4.181   2.577
   90   1HB   SER  12          HB2       SER  12 -18.579  -4.755   4.760
   91   2HB   SER  12          HB3       SER  12 -19.101  -5.479   3.228
   92    HG   SER  12           HG       SER  12 -18.965  -7.026   4.920
   93    H    ALA  13           H        ALA  13 -15.658  -6.234   5.020
   94    HA   ALA  13           HA       ALA  13 -14.845  -4.143   6.741
   95   1HB   ALA  13          HB1       ALA  13 -14.783  -6.528   7.383
   96   2HB   ALA  13          HB2       ALA  13 -13.475  -6.823   6.211
   97   3HB   ALA  13          HB3       ALA  13 -13.197  -5.765   7.608
   98    H    GLU  14           H        GLU  14 -13.176  -5.644   3.922
   99    HA   GLU  14           HA       GLU  14 -10.788  -4.140   4.227
  100   1HB   GLU  14          HB2       GLU  14 -12.028  -5.595   1.859
  101   2HB   GLU  14          HB3       GLU  14 -10.473  -4.775   1.730
  102   1HG   GLU  14          HG2       GLU  14 -11.130  -6.960   3.738
  103   2HG   GLU  14          HG3       GLU  14 -10.266  -7.201   2.215
  104    H    THR  15           H        THR  15 -13.798  -3.409   2.394
  105    HA   THR  15           HA       THR  15 -12.581  -1.074   1.231
  106    HB   THR  15           HB       THR  15 -14.907  -0.670   0.355
  107    HG1  THR  15           HG1      THR  15 -15.349  -3.308   1.284
  108   1HG2  THR  15          HG21      THR  15 -14.740  -2.586  -1.237
  109   2HG2  THR  15          HG22      THR  15 -13.206  -1.751  -0.997
  110   3HG2  THR  15          HG23      THR  15 -13.484  -3.319  -0.221
  111    H    SER  16           H        SER  16 -13.407  -1.549   4.362
  112    HA   SER  16           HA       SER  16 -14.641   1.126   4.717
  113   1HB   SER  16          HB2       SER  16 -14.731  -1.323   6.521
  114   2HB   SER  16          HB3       SER  16 -15.528   0.230   6.833
  115    HG   SER  16           HG       SER  16 -16.078  -1.702   4.860
  116    H    GLU  17           H        GLU  17 -11.778   0.773   4.358
  117    HA   GLU  17           HA       GLU  17 -10.914   1.929   6.977
  118   1HB   GLU  17          HB2       GLU  17  -9.332   0.012   5.217
  119   2HB   GLU  17          HB3       GLU  17  -8.742   0.771   6.701
  120   1HG   GLU  17          HG2       GLU  17 -10.587  -0.372   7.966
  121   2HG   GLU  17          HG3       GLU  17 -10.978  -1.267   6.490
  122    H    GLY  18           H        GLY  18 -11.411   2.831   3.841
  123   1HA   GLY  18          HA2       GLY  18  -9.994   5.205   3.912
  124   2HA   GLY  18          HA3       GLY  18  -8.861   4.010   3.206
  125    H    VAL  19           H        VAL  19  -9.006   5.468   1.358
  126    HA   VAL  19           HA       VAL  19 -11.399   5.204  -0.330
  127    HB   VAL  19           HB       VAL  19  -8.679   6.088  -1.283
  128   1HG1  VAL  19          HG11      VAL  19 -11.496   7.154  -1.854
  129   2HG1  VAL  19          HG12      VAL  19 -10.019   7.531  -2.763
  130   3HG1  VAL  19          HG13      VAL  19 -10.711   5.902  -2.821
  131   1HG2  VAL  19          HG21      VAL  19  -9.251   8.468  -0.644
  132   2HG2  VAL  19          HG22      VAL  19 -10.478   7.808   0.449
  133   3HG2  VAL  19          HG23      VAL  19  -8.757   7.436   0.689
  134    H    VAL  20           H        VAL  20 -11.532   3.478  -1.843
  135    HA   VAL  20           HA       VAL  20  -9.222   1.633  -1.987
  136    HB   VAL  20           HB       VAL  20 -12.065   0.774  -1.297
  137   1HG1  VAL  20          HG11      VAL  20 -10.913  -0.958  -2.530
  138   2HG1  VAL  20          HG12      VAL  20  -9.448  -0.753  -1.550
  139   3HG1  VAL  20          HG13      VAL  20 -10.920  -1.427  -0.830
  140   1HG2  VAL  20          HG21      VAL  20  -9.669   1.255   0.500
  141   2HG2  VAL  20          HG22      VAL  20 -11.372   1.704   0.727
  142   3HG2  VAL  20          HG23      VAL  20 -10.858   0.035   0.922
  143    H    LEU  21           H        LEU  21  -9.040   0.598  -3.929
  144    HA   LEU  21           HA       LEU  21 -11.099   1.153  -6.020
  145   1HB   LEU  21          HB2       LEU  21  -8.897   2.209  -6.474
  146   2HB   LEU  21          HB3       LEU  21  -8.102   0.644  -6.254
  147    HG   LEU  21           HG       LEU  21  -9.356  -0.225  -8.256
  148   1HD1  LEU  21          HD11      LEU  21 -10.385   1.511  -9.767
  149   2HD1  LEU  21          HD12      LEU  21 -11.311   1.243  -8.286
  150   3HD1  LEU  21          HD13      LEU  21 -10.276   2.683  -8.447
  151   1HD2  LEU  21          HD21      LEU  21  -8.008   1.001  -9.899
  152   2HD2  LEU  21          HD22      LEU  21  -7.721   2.311  -8.729
  153   3HD2  LEU  21          HD23      LEU  21  -7.061   0.687  -8.439
  154    H    ALA  22           H        ALA  22 -12.356  -0.657  -5.857
  155    HA   ALA  22           HA       ALA  22 -11.135  -3.324  -5.480
  156   1HB   ALA  22          HB1       ALA  22 -13.992  -2.402  -5.956
  157   2HB   ALA  22          HB2       ALA  22 -13.487  -4.095  -5.785
  158   3HB   ALA  22          HB3       ALA  22 -13.282  -2.964  -4.422
  159    H    ASP  23           H        ASP  23 -11.059  -4.829  -7.136
  160    HA   ASP  23           HA       ASP  23 -11.736  -3.979  -9.913
  161   1HB   ASP  23          HB2       ASP  23  -9.357  -3.665  -9.742
  162   2HB   ASP  23          HB3       ASP  23  -9.157  -5.216  -8.926
  163    H    PHE  24           H        PHE  24 -13.451  -5.158 -10.170
  164    HA   PHE  24           HA       PHE  24 -13.742  -7.930  -9.276
  165   1HB   PHE  24          HB2       PHE  24 -15.501  -6.009 -10.851
  166   2HB   PHE  24          HB3       PHE  24 -15.913  -7.681 -10.562
  167    HD1  PHE  24           HD1      PHE  24 -15.222  -4.426  -8.843
  168    HD2  PHE  24           HD2      PHE  24 -16.834  -8.410  -8.453
  169    HE1  PHE  24           HE1      PHE  24 -16.059  -3.879  -6.573
  170    HE2  PHE  24           HE2      PHE  24 -17.688  -7.842  -6.204
  171    HZ   PHE  24           HZ       PHE  24 -17.261  -5.588  -5.240
  172    H    TRP  25           H        TRP  25 -12.744  -9.479 -10.466
  173    HA   TRP  25           HA       TRP  25 -12.286  -9.025 -13.374
  174   1HB   TRP  25          HB2       TRP  25  -9.986  -9.436 -13.212
  175   2HB   TRP  25          HB3       TRP  25 -10.331  -8.229 -11.994
  176    HD1  TRP  25           HD1      TRP  25 -10.690  -9.417  -9.421
  177    HE1  TRP  25           HE1      TRP  25  -9.331 -11.269  -8.294
  178    HE3  TRP  25           HE3      TRP  25  -8.330 -11.295 -13.555
  179    HZ2  TRP  25           HZ2      TRP  25  -7.340 -13.224  -9.070
  180    HZ3  TRP  25           HZ3      TRP  25  -6.655 -13.107 -13.317
  181    HH2  TRP  25           HH2      TRP  25  -6.185 -14.108 -11.097
  182    H    ALA  26           H        ALA  26 -11.148 -11.110 -14.294
  183    HA   ALA  26           HA       ALA  26 -11.679 -13.564 -12.873
  184   1HB   ALA  26          HB1       ALA  26 -13.003 -14.617 -14.629
  185   2HB   ALA  26          HB2       ALA  26 -13.869 -13.186 -14.058
  186   3HB   ALA  26          HB3       ALA  26 -12.987 -13.129 -15.604
  187    HA   PRO  27           HA       PRO  27  -7.862 -14.066 -14.895
  188   1HB   PRO  27          HB2       PRO  27  -7.350 -16.755 -14.751
  189   2HB   PRO  27          HB3       PRO  27  -7.470 -15.708 -13.305
  190   1HG   PRO  27          HG2       PRO  27  -9.626 -17.472 -14.508
  191   2HG   PRO  27          HG3       PRO  27  -9.116 -17.351 -12.791
  192   1HD   PRO  27          HD2       PRO  27 -11.277 -15.986 -13.777
  193   2HD   PRO  27          HD3       PRO  27 -10.208 -15.290 -12.512
  194    H    TRP  28           H        TRP  28 -10.579 -15.647 -16.461
  195    HA   TRP  28           HA       TRP  28  -9.015 -16.377 -18.831
  196   1HB   TRP  28          HB2       TRP  28 -11.368 -16.972 -19.661
  197   2HB   TRP  28          HB3       TRP  28 -10.661 -17.902 -18.361
  198    HD1  TRP  28           HD1      TRP  28 -12.719 -14.617 -18.023
  199    HE1  TRP  28           HE1      TRP  28 -14.752 -15.061 -16.564
  200    HE3  TRP  28           HE3      TRP  28 -12.003 -19.618 -17.156
  201    HZ2  TRP  28           HZ2      TRP  28 -15.882 -17.281 -15.079
  202    HZ3  TRP  28           HZ3      TRP  28 -13.561 -20.861 -15.682
  203    HH2  TRP  28           HH2      TRP  28 -15.500 -19.705 -14.637
  204    H    CYS  29           H        CYS  29 -10.164 -13.422 -17.655
  205    HA   CYS  29           HA       CYS  29 -11.130 -12.401 -20.250
  206   1HB   CYS  29          HB2       CYS  29 -12.311 -11.785 -18.170
  207   2HB   CYS  29          HB3       CYS  29 -10.804 -11.124 -17.511
  208    HG   CYS  29           HG       CYS  29 -12.544 -10.203 -20.184
  209    H    GLY  30           H        GLY  30  -9.595 -11.747 -21.693
  210   1HA   GLY  30          HA2       GLY  30  -6.855 -11.318 -21.225
  211   2HA   GLY  30          HA3       GLY  30  -7.781 -10.690 -22.596
  212    HA   PRO  31           HA       PRO  31  -7.795  -6.523 -21.080
  213   1HB   PRO  31          HB2       PRO  31 -10.658  -6.768 -20.143
  214   2HB   PRO  31          HB3       PRO  31  -9.868  -5.385 -20.967
  215   1HG   PRO  31          HG2       PRO  31 -11.339  -7.149 -22.393
  216   2HG   PRO  31          HG3       PRO  31  -9.743  -6.623 -23.023
  217   1HD   PRO  31          HD2       PRO  31 -10.464  -9.204 -21.646
  218   2HD   PRO  31          HD3       PRO  31  -9.359  -8.923 -23.016
  219    H    CYS  32           H        CYS  32  -9.243  -8.713 -18.574
  220    HA   CYS  32           HA       CYS  32  -8.537  -7.079 -16.332
  221   1HB   CYS  32          HB2       CYS  32  -8.749 -10.124 -16.520
  222   2HB   CYS  32          HB3       CYS  32  -8.536  -9.202 -15.036
  223    HG   CYS  32           HG       CYS  32 -11.007  -8.925 -17.235
  224    H    LYS  33           H        LYS  33  -6.590  -9.356 -18.309
  225    HA   LYS  33           HA       LYS  33  -4.250  -9.210 -16.570
  226   1HB   LYS  33          HB2       LYS  33  -4.351  -9.898 -19.541
  227   2HB   LYS  33          HB3       LYS  33  -3.051 -10.246 -18.409
  228   1HG   LYS  33          HG2       LYS  33  -4.495 -11.805 -17.166
  229   2HG   LYS  33          HG3       LYS  33  -5.859 -11.423 -18.230
  230   1HD   LYS  33          HD2       LYS  33  -4.501 -12.221 -20.192
  231   2HD   LYS  33          HD3       LYS  33  -3.273 -12.807 -19.060
  232   1HE   LYS  33          HE2       LYS  33  -6.224 -13.602 -19.030
  233   2HE   LYS  33          HE3       LYS  33  -4.971 -14.539 -19.846
  234   1HZ   LYS  33          HZ1       LYS  33  -4.858 -13.952 -16.953
  235   2HZ   LYS  33          HZ2       LYS  33  -5.621 -15.252 -17.556
  236   3HZ   LYS  33          HZ3       LYS  33  -3.995 -15.078 -17.782
  237    H    MET  34           H        MET  34  -5.434  -7.480 -19.494
  238    HA   MET  34           HA       MET  34  -3.060  -5.994 -19.931
  239   1HB   MET  34          HB2       MET  34  -5.924  -5.212 -20.630
  240   2HB   MET  34          HB3       MET  34  -4.464  -4.484 -21.299
  241   1HG   MET  34          HG2       MET  34  -5.262  -7.397 -21.594
  242   2HG   MET  34          HG3       MET  34  -5.490  -6.148 -22.813
  243   1HE   MET  34          HE1       MET  34  -4.075  -9.013 -23.228
  244   2HE   MET  34          HE2       MET  34  -4.353  -7.839 -24.536
  245   3HE   MET  34          HE3       MET  34  -2.738  -8.546 -24.303
  246    H    ILE  35           H        ILE  35  -5.929  -5.219 -17.889
  247    HA   ILE  35           HA       ILE  35  -4.816  -2.621 -17.222
  248    HB   ILE  35           HB       ILE  35  -7.257  -3.211 -17.391
  249   1HG1  ILE  35          HG12      ILE  35  -6.330  -1.768 -14.878
  250   2HG1  ILE  35          HG13      ILE  35  -6.418  -1.095 -16.508
  251   1HG2  ILE  35          HG21      ILE  35  -8.437  -4.167 -15.514
  252   2HG2  ILE  35          HG22      ILE  35  -7.186  -5.292 -16.026
  253   3HG2  ILE  35          HG23      ILE  35  -6.940  -4.309 -14.570
  254   1HD1  ILE  35          HD11      ILE  35  -8.925  -1.617 -16.461
  255   2HD1  ILE  35          HD12      ILE  35  -8.725  -1.960 -14.732
  256   3HD1  ILE  35          HD13      ILE  35  -8.356  -0.343 -15.367
  257    H    ALA  36           H        ALA  36  -4.127  -5.813 -16.067
  258    HA   ALA  36           HA       ALA  36  -3.757  -5.341 -13.338
  259   1HB   ALA  36          HB1       ALA  36  -3.716  -7.584 -14.359
  260   2HB   ALA  36          HB2       ALA  36  -2.122  -7.235 -15.065
  261   3HB   ALA  36          HB3       ALA  36  -2.317  -7.292 -13.308
  262    HA   PRO  37           HA       PRO  37   0.730  -3.887 -13.930
  263   1HB   PRO  37          HB2       PRO  37   1.503  -2.703 -16.318
  264   2HB   PRO  37          HB3       PRO  37   1.786  -4.416 -15.885
  265   1HG   PRO  37          HG2       PRO  37  -0.480  -3.258 -17.535
  266   2HG   PRO  37          HG3       PRO  37   0.545  -4.684 -17.904
  267   1HD   PRO  37          HD2       PRO  37  -1.891  -4.995 -16.819
  268   2HD   PRO  37          HD3       PRO  37  -0.534  -5.997 -16.249
  269    H    VAL  38           H        VAL  38  -1.994  -2.207 -15.540
  270    HA   VAL  38           HA       VAL  38  -1.096   0.431 -14.860
  271    HB   VAL  38           HB       VAL  38  -3.989  -0.438 -15.248
  272   1HG1  VAL  38          HG11      VAL  38  -4.276   1.861 -16.040
  273   2HG1  VAL  38          HG12      VAL  38  -3.576   1.876 -14.420
  274   3HG1  VAL  38          HG13      VAL  38  -2.539   2.171 -15.828
  275   1HG2  VAL  38          HG21      VAL  38  -3.697   0.148 -17.653
  276   2HG2  VAL  38          HG22      VAL  38  -1.942   0.261 -17.402
  277   3HG2  VAL  38          HG23      VAL  38  -2.782  -1.294 -17.213
  278    H    LEU  39           H        LEU  39  -3.149  -2.059 -13.249
  279    HA   LEU  39           HA       LEU  39  -3.695  -0.475 -10.940
  280   1HB   LEU  39          HB2       LEU  39  -3.699  -3.475 -11.400
  281   2HB   LEU  39          HB3       LEU  39  -4.200  -2.736  -9.885
  282    HG   LEU  39           HG       LEU  39  -5.484  -1.985 -12.547
  283   1HD1  LEU  39          HD11      LEU  39  -5.789  -4.375 -12.208
  284   2HD1  LEU  39          HD12      LEU  39  -6.391  -4.092 -10.549
  285   3HD1  LEU  39          HD13      LEU  39  -7.313  -3.517 -11.959
  286   1HD2  LEU  39          HD21      LEU  39  -5.842  -0.373 -10.690
  287   2HD2  LEU  39          HD22      LEU  39  -7.335  -1.203 -11.130
  288   3HD2  LEU  39          HD23      LEU  39  -6.453  -1.689  -9.667
  289    H    GLU  40           H        GLU  40  -0.954  -2.663 -11.755
  290    HA   GLU  40           HA       GLU  40   0.249  -2.434  -9.160
  291   1HB   GLU  40          HB2       GLU  40   1.411  -3.130 -11.880
  292   2HB   GLU  40          HB3       GLU  40   2.356  -3.117 -10.388
  293   1HG   GLU  40          HG2       GLU  40   0.808  -4.765  -9.368
  294   2HG   GLU  40          HG3       GLU  40  -0.111  -4.841 -10.868
  295    H    GLU  41           H        GLU  41   0.530  -0.407 -12.114
  296    HA   GLU  41           HA       GLU  41   2.500   1.376 -11.056
  297   1HB   GLU  41          HB2       GLU  41   0.331   1.624 -13.161
  298   2HB   GLU  41          HB3       GLU  41   1.219   3.045 -12.638
  299   1HG   GLU  41          HG2       GLU  41   2.533   0.519 -13.722
  300   2HG   GLU  41          HG3       GLU  41   2.133   1.935 -14.692
  301    H    LEU  42           H        LEU  42  -1.104   1.413 -10.911
  302    HA   LEU  42           HA       LEU  42  -1.282   3.738  -9.301
  303   1HB   LEU  42          HB2       LEU  42  -3.068   1.507 -10.120
  304   2HB   LEU  42          HB3       LEU  42  -3.465   2.175  -8.561
  305    HG   LEU  42           HG       LEU  42  -4.733   3.190 -10.356
  306   1HD1  LEU  42          HD11      LEU  42  -4.576   5.464  -9.637
  307   2HD1  LEU  42          HD12      LEU  42  -4.225   4.430  -8.247
  308   3HD1  LEU  42          HD13      LEU  42  -2.898   5.261  -9.090
  309   1HD2  LEU  42          HD21      LEU  42  -2.123   4.435 -11.339
  310   2HD2  LEU  42          HD22      LEU  42  -3.032   3.160 -12.168
  311   3HD2  LEU  42          HD23      LEU  42  -3.748   4.766 -11.956
  312    H    ASP  43           H        ASP  43  -0.799   0.314  -8.346
  313    HA   ASP  43           HA       ASP  43  -1.080   0.758  -5.549
  314   1HB   ASP  43          HB2       ASP  43  -1.093  -1.473  -6.454
  315   2HB   ASP  43          HB3       ASP  43   0.541  -1.292  -7.092
  316    H    GLN  44           H        GLN  44   1.766   0.970  -7.741
  317    HA   GLN  44           HA       GLN  44   3.648   1.570  -5.672
  318   1HB   GLN  44          HB2       GLN  44   3.581   1.934  -8.679
  319   2HB   GLN  44          HB3       GLN  44   4.976   2.448  -7.721
  320   1HG   GLN  44          HG2       GLN  44   5.431   0.219  -6.969
  321   2HG   GLN  44          HG3       GLN  44   3.886  -0.390  -7.562
  322   1HE2  GLN  44          HE22      GLN  44   3.510  -0.476  -9.871
  323   2HE2  GLN  44          HE21      GLN  44   4.857  -0.597 -11.003
  324    H    GLU  45           H        GLU  45   1.594   3.597  -7.734
  325    HA   GLU  45           HA       GLU  45   2.890   6.064  -6.880
  326   1HB   GLU  45          HB2       GLU  45   0.572   5.378  -8.718
  327   2HB   GLU  45          HB3       GLU  45   1.148   7.027  -8.498
  328   1HG   GLU  45          HG2       GLU  45   3.070   4.836  -9.392
  329   2HG   GLU  45          HG3       GLU  45   1.973   5.610 -10.522
  330    H    MET  46           H        MET  46  -0.145   4.392  -6.152
  331    HA   MET  46           HA       MET  46  -1.033   6.614  -4.373
  332   1HB   MET  46          HB2       MET  46  -2.593   5.077  -6.489
  333   2HB   MET  46          HB3       MET  46  -3.369   6.000  -5.217
  334   1HG   MET  46          HG2       MET  46  -1.423   7.232  -7.190
  335   2HG   MET  46          HG3       MET  46  -3.172   7.177  -7.404
  336   1HE   MET  46          HE1       MET  46  -1.609   9.897  -7.551
  337   2HE   MET  46          HE2       MET  46  -3.371   9.710  -7.739
  338   3HE   MET  46          HE3       MET  46  -2.707  10.931  -6.615
  339    H    GLY  47           H        GLY  47  -0.233   3.273  -4.429
  340   1HA   GLY  47          HA2       GLY  47  -2.170   1.968  -2.956
  341   2HA   GLY  47          HA3       GLY  47  -0.451   1.700  -2.796
  342    H    ASP  48           H        ASP  48  -0.007   4.489  -1.868
  343    HA   ASP  48           HA       ASP  48  -0.128   4.018   0.983
  344   1HB   ASP  48          HB2       ASP  48   1.815   5.086  -0.061
  345   2HB   ASP  48          HB3       ASP  48   0.792   6.372  -0.710
  346    H    LYS  49           H        LYS  49  -1.977   5.801  -1.408
  347    HA   LYS  49           HA       LYS  49  -3.407   7.405   0.596
  348   1HB   LYS  49          HB2       LYS  49  -3.797   7.513  -2.408
  349   2HB   LYS  49          HB3       LYS  49  -4.137   8.753  -1.209
  350   1HG   LYS  49          HG2       LYS  49  -1.423   7.898  -2.277
  351   2HG   LYS  49          HG3       LYS  49  -2.277   9.403  -2.612
  352   1HD   LYS  49          HD2       LYS  49  -2.021  10.120  -0.266
  353   2HD   LYS  49          HD3       LYS  49  -1.236   8.577   0.129
  354   1HE   LYS  49          HE2       LYS  49   0.448   9.123  -1.740
  355   2HE   LYS  49          HE3       LYS  49  -0.217  10.758  -1.741
  356   1HZ   LYS  49          HZ1       LYS  49   0.985   9.363   0.598
  357   2HZ   LYS  49          HZ2       LYS  49   1.728  10.535  -0.282
  358   3HZ   LYS  49          HZ3       LYS  49   0.419  10.910   0.617
  359    H    LEU  50           H        LEU  50  -3.699   4.655  -1.566
  360    HA   LEU  50           HA       LEU  50  -6.532   4.304  -0.907
  361   1HB   LEU  50          HB2       LEU  50  -6.797   5.643  -2.762
  362   2HB   LEU  50          HB3       LEU  50  -5.335   5.090  -3.547
  363    HG   LEU  50           HG       LEU  50  -7.268   2.887  -3.376
  364   1HD1  LEU  50          HD11      LEU  50  -8.219   5.388  -4.790
  365   2HD1  LEU  50          HD12      LEU  50  -8.946   3.773  -4.909
  366   3HD1  LEU  50          HD13      LEU  50  -8.936   4.615  -3.365
  367   1HD2  LEU  50          HD21      LEU  50  -5.288   2.966  -4.853
  368   2HD2  LEU  50          HD22      LEU  50  -6.786   2.718  -5.752
  369   3HD2  LEU  50          HD23      LEU  50  -6.017   4.315  -5.745
  370    H    LYS  51           H        LYS  51  -7.024   2.231  -0.632
  371    HA   LYS  51           HA       LYS  51  -4.967   0.145  -0.956
  372   1HB   LYS  51          HB2       LYS  51  -6.531   0.315   1.012
  373   2HB   LYS  51          HB3       LYS  51  -7.885   0.007  -0.072
  374   1HG   LYS  51          HG2       LYS  51  -6.819  -2.236  -0.630
  375   2HG   LYS  51          HG3       LYS  51  -5.620  -1.907   0.626
  376   1HD   LYS  51          HD2       LYS  51  -8.648  -2.085   1.006
  377   2HD   LYS  51          HD3       LYS  51  -7.486  -3.365   1.368
  378   1HE   LYS  51          HE2       LYS  51  -6.401  -1.899   3.067
  379   2HE   LYS  51          HE3       LYS  51  -7.617  -0.638   2.756
  380   1HZ   LYS  51          HZ1       LYS  51  -8.270  -3.394   3.637
  381   2HZ   LYS  51          HZ2       LYS  51  -8.155  -2.135   4.677
  382   3HZ   LYS  51          HZ3       LYS  51  -9.310  -2.132   3.499
  383    H    ILE  52           H        ILE  52  -5.315  -1.766  -2.411
  384    HA   ILE  52           HA       ILE  52  -7.381  -1.346  -4.508
  385    HB   ILE  52           HB       ILE  52  -4.532  -2.289  -5.011
  386   1HG1  ILE  52          HG12      ILE  52  -5.932   0.364  -5.535
  387   2HG1  ILE  52          HG13      ILE  52  -4.486   0.078  -4.569
  388   1HG2  ILE  52          HG21      ILE  52  -6.225  -3.381  -6.487
  389   2HG2  ILE  52          HG22      ILE  52  -6.799  -1.774  -6.986
  390   3HG2  ILE  52          HG23      ILE  52  -5.152  -2.324  -7.380
  391   1HD1  ILE  52          HD11      ILE  52  -3.826   1.150  -6.540
  392   2HD1  ILE  52          HD12      ILE  52  -3.258  -0.533  -6.659
  393   3HD1  ILE  52          HD13      ILE  52  -4.689   0.002  -7.583
  394    H    VAL  53           H        VAL  53  -8.633  -3.179  -4.780
  395    HA   VAL  53           HA       VAL  53  -7.755  -5.631  -3.302
  396    HB   VAL  53           HB       VAL  53 -10.553  -4.435  -3.188
  397   1HG1  VAL  53          HG11      VAL  53  -9.267  -6.690  -1.593
  398   2HG1  VAL  53          HG12      VAL  53 -10.910  -6.044  -1.374
  399   3HG1  VAL  53          HG13      VAL  53 -10.489  -6.876  -2.872
  400   1HG2  VAL  53          HG21      VAL  53  -8.983  -2.976  -1.909
  401   2HG2  VAL  53          HG22      VAL  53 -10.139  -3.814  -0.871
  402   3HG2  VAL  53          HG23      VAL  53  -8.458  -4.386  -0.974
  403    H    LYS  54           H        LYS  54  -7.630  -7.219  -4.708
  404    HA   LYS  54           HA       LYS  54  -9.211  -7.340  -7.183
  405   1HB   LYS  54          HB2       LYS  54  -7.364  -9.284  -5.702
  406   2HB   LYS  54          HB3       LYS  54  -8.096  -9.636  -7.267
  407   1HG   LYS  54          HG2       LYS  54  -6.098  -7.418  -6.691
  408   2HG   LYS  54          HG3       LYS  54  -5.786  -8.956  -7.512
  409   1HD   LYS  54          HD2       LYS  54  -7.605  -8.272  -9.190
  410   2HD   LYS  54          HD3       LYS  54  -7.521  -6.647  -8.460
  411   1HE   LYS  54          HE2       LYS  54  -5.343  -6.272  -9.167
  412   2HE   LYS  54          HE3       LYS  54  -4.989  -8.010  -9.336
  413   1HZ   LYS  54          HZ1       LYS  54  -5.326  -6.806 -11.495
  414   2HZ   LYS  54          HZ2       LYS  54  -6.282  -8.115 -11.298
  415   3HZ   LYS  54          HZ3       LYS  54  -6.929  -6.633 -11.099
  416    H    ILE  55           H        ILE  55 -11.098  -8.523  -7.477
  417    HA   ILE  55           HA       ILE  55 -11.710 -10.644  -5.542
  418    HB   ILE  55           HB       ILE  55 -12.770  -8.800  -4.490
  419   1HG1  ILE  55          HG12      ILE  55 -14.959 -10.356  -5.913
  420   2HG1  ILE  55          HG13      ILE  55 -13.911 -11.034  -4.662
  421   1HG2  ILE  55          HG21      ILE  55 -14.241  -8.173  -7.070
  422   2HG2  ILE  55          HG22      ILE  55 -14.483  -7.369  -5.514
  423   3HG2  ILE  55          HG23      ILE  55 -12.950  -7.190  -6.356
  424   1HD1  ILE  55          HD11      ILE  55 -15.816  -8.696  -4.271
  425   2HD1  ILE  55          HD12      ILE  55 -16.013 -10.346  -3.664
  426   3HD1  ILE  55          HD13      ILE  55 -14.698  -9.345  -3.043
  427    H    ASP  56           H        ASP  56 -12.346 -12.424  -6.624
  428    HA   ASP  56           HA       ASP  56 -12.632 -12.303  -9.538
  429   1HB   ASP  56          HB2       ASP  56 -11.315 -14.081  -8.532
  430   2HB   ASP  56          HB3       ASP  56 -12.686 -14.603  -7.553
  431    H    VAL  57           H        VAL  57 -14.611 -12.261 -10.610
  432    HA   VAL  57           HA       VAL  57 -16.953 -11.835  -9.039
  433    HB   VAL  57           HB       VAL  57 -18.153 -11.728 -11.212
  434   1HG1  VAL  57          HG11      VAL  57 -15.549 -10.157 -11.162
  435   2HG1  VAL  57          HG12      VAL  57 -17.068  -9.710 -11.981
  436   3HG1  VAL  57          HG13      VAL  57 -17.013  -9.789 -10.221
  437   1HG2  VAL  57          HG21      VAL  57 -15.458 -12.336 -12.513
  438   2HG2  VAL  57          HG22      VAL  57 -16.879 -13.397 -12.540
  439   3HG2  VAL  57          HG23      VAL  57 -16.943 -11.827 -13.336
  440    H    ASP  58           H        ASP  58 -15.741 -14.859 -10.413
  441    HA   ASP  58           HA       ASP  58 -18.440 -16.053 -10.534
  442   1HB   ASP  58          HB2       ASP  58 -16.774 -16.723 -12.204
  443   2HB   ASP  58          HB3       ASP  58 -15.679 -17.269 -10.931
  444    H    GLU  59           H        GLU  59 -15.528 -16.068  -8.490
  445    HA   GLU  59           HA       GLU  59 -16.586 -17.916  -6.520
  446   1HB   GLU  59          HB2       GLU  59 -14.357 -15.843  -6.499
  447   2HB   GLU  59          HB3       GLU  59 -14.702 -16.871  -5.115
  448   1HG   GLU  59          HG2       GLU  59 -13.972 -17.944  -7.876
  449   2HG   GLU  59          HG3       GLU  59 -12.824 -17.662  -6.577
  450    H    ASN  60           H        ASN  60 -17.339 -14.597  -7.228
  451    HA   ASN  60           HA       ASN  60 -18.540 -14.209  -4.522
  452   1HB   ASN  60          HB2       ASN  60 -16.747 -12.206  -5.945
  453   2HB   ASN  60          HB3       ASN  60 -17.623 -11.945  -4.450
  454   1HD2  ASN  60          HD22      ASN  60 -14.812 -13.414  -5.857
  455   2HD2  ASN  60          HD21      ASN  60 -14.108 -14.009  -4.352
  456    H    GLN  61           H        GLN  61 -20.155 -14.991  -6.441
  457    HA   GLN  61           HA       GLN  61 -21.183 -13.098  -8.240
  458   1HB   GLN  61          HB2       GLN  61 -23.147 -14.915  -6.936
  459   2HB   GLN  61          HB3       GLN  61 -22.852 -14.599  -8.633
  460   1HG   GLN  61          HG2       GLN  61 -22.363 -16.877  -8.343
  461   2HG   GLN  61          HG3       GLN  61 -20.782 -16.110  -8.405
  462   1HE2  GLN  61          HE22      GLN  61 -19.479 -17.291  -6.963
  463   2HE2  GLN  61          HE21      GLN  61 -19.910 -17.617  -5.290
  464    H    GLU  62           H        GLU  62 -21.853 -13.717  -4.809
  465    HA   GLU  62           HA       GLU  62 -24.083 -12.025  -4.484
  466   1HB   GLU  62          HB2       GLU  62 -21.919 -13.026  -2.584
  467   2HB   GLU  62          HB3       GLU  62 -23.375 -12.193  -2.023
  468   1HG   GLU  62          HG2       GLU  62 -23.336 -14.835  -3.549
  469   2HG   GLU  62          HG3       GLU  62 -23.536 -14.657  -1.813
  470    H    THR  63           H        THR  63 -20.595 -11.232  -4.476
  471    HA   THR  63           HA       THR  63 -21.152  -8.594  -3.402
  472    HB   THR  63           HB       THR  63 -18.545  -9.246  -4.627
  473    HG1  THR  63           HG1      THR  63 -19.585 -10.382  -2.257
  474   1HG2  THR  63          HG21      THR  63 -17.629  -8.065  -2.710
  475   2HG2  THR  63          HG22      THR  63 -18.877  -7.078  -3.482
  476   3HG2  THR  63          HG23      THR  63 -19.234  -7.945  -1.968
  477    H    ALA  64           H        ALA  64 -20.121 -10.020  -6.571
  478    HA   ALA  64           HA       ALA  64 -20.013  -7.496  -7.887
  479   1HB   ALA  64          HB1       ALA  64 -19.045  -9.691  -8.710
  480   2HB   ALA  64          HB2       ALA  64 -20.695 -10.238  -9.079
  481   3HB   ALA  64          HB3       ALA  64 -19.994  -8.842  -9.937
  482    H    GLY  65           H        GLY  65 -22.679  -9.903  -7.622
  483   1HA   GLY  65          HA2       GLY  65 -24.683  -8.462  -8.990
  484   2HA   GLY  65          HA3       GLY  65 -24.925  -9.705  -7.749
  485    H    LYS  66           H        LYS  66 -23.317  -7.934  -5.771
  486    HA   LYS  66           HA       LYS  66 -25.466  -6.584  -4.524
  487   1HB   LYS  66          HB2       LYS  66 -22.932  -7.314  -3.788
  488   2HB   LYS  66          HB3       LYS  66 -22.671  -5.598  -4.042
  489   1HG   LYS  66          HG2       LYS  66 -24.594  -5.149  -2.469
  490   2HG   LYS  66          HG3       LYS  66 -24.738  -6.890  -2.201
  491   1HD   LYS  66          HD2       LYS  66 -22.369  -5.102  -1.544
  492   2HD   LYS  66          HD3       LYS  66 -23.473  -5.840  -0.386
  493   1HE   LYS  66          HE2       LYS  66 -21.346  -7.180  -2.082
  494   2HE   LYS  66          HE3       LYS  66 -21.371  -7.009  -0.334
  495   1HZ   LYS  66          HZ1       LYS  66 -23.283  -8.537  -0.288
  496   2HZ   LYS  66          HZ2       LYS  66 -23.164  -8.773  -1.920
  497   3HZ   LYS  66          HZ3       LYS  66 -21.950  -9.238  -0.938
  498    H    TYR  67           H        TYR  67 -23.335  -5.568  -7.138
  499    HA   TYR  67           HA       TYR  67 -24.617  -2.875  -7.114
  500   1HB   TYR  67          HB2       TYR  67 -21.920  -3.336  -8.333
  501   2HB   TYR  67          HB3       TYR  67 -22.604  -1.861  -7.675
  502    HD1  TYR  67           HD1      TYR  67 -20.645  -4.856  -7.076
  503    HD2  TYR  67           HD2      TYR  67 -22.690  -1.622  -5.078
  504    HE1  TYR  67           HE1      TYR  67 -19.490  -5.433  -5.015
  505    HE2  TYR  67           HE2      TYR  67 -21.473  -2.153  -2.984
  506    HH   TYR  67           HH       TYR  67 -19.182  -4.899  -2.729
  507    H    GLY  68           H        GLY  68 -25.154  -5.643  -8.502
  508   1HA   GLY  68          HA2       GLY  68 -25.987  -6.358 -10.467
  509   2HA   GLY  68          HA3       GLY  68 -26.084  -4.671 -11.000
  510    H    VAL  69           H        VAL  69 -22.949  -6.030 -10.096
  511    HA   VAL  69           HA       VAL  69 -21.978  -5.759 -12.883
  512    HB   VAL  69           HB       VAL  69 -20.569  -6.275 -10.221
  513   1HG1  VAL  69          HG11      VAL  69 -19.253  -7.302 -12.025
  514   2HG1  VAL  69          HG12      VAL  69 -19.346  -5.797 -12.971
  515   3HG1  VAL  69          HG13      VAL  69 -18.463  -5.847 -11.430
  516   1HG2  VAL  69          HG21      VAL  69 -21.464  -3.969 -10.444
  517   2HG2  VAL  69          HG22      VAL  69 -19.701  -3.984 -10.502
  518   3HG2  VAL  69          HG23      VAL  69 -20.645  -3.796 -11.999
  519    H    MET  70           H        MET  70 -21.604  -7.507 -14.141
  520    HA   MET  70           HA       MET  70 -20.755  -9.993 -13.005
  521   1HB   MET  70          HB2       MET  70 -23.567  -9.787 -13.633
  522   2HB   MET  70          HB3       MET  70 -22.850 -10.866 -14.819
  523   1HG   MET  70          HG2       MET  70 -22.591 -11.080 -11.798
  524   2HG   MET  70          HG3       MET  70 -23.604 -12.091 -12.824
  525   1HE   MET  70          HE1       MET  70 -20.568 -14.285 -11.274
  526   2HE   MET  70          HE2       MET  70 -21.174 -12.779 -10.558
  527   3HE   MET  70          HE3       MET  70 -22.319 -13.990 -11.183
  528    H    SER  71           H        SER  71 -19.674  -7.866 -14.550
  529    HA   SER  71           HA       SER  71 -18.696  -9.275 -16.902
  530   1HB   SER  71          HB2       SER  71 -19.641  -6.372 -16.950
  531   2HB   SER  71          HB3       SER  71 -18.908  -7.262 -18.294
  532    HG   SER  71           HG       SER  71 -21.197  -7.157 -18.445
  533    H    ILE  72           H        ILE  72 -16.535  -8.374 -17.489
  534    HA   ILE  72           HA       ILE  72 -15.216  -6.888 -15.323
  535    HB   ILE  72           HB       ILE  72 -13.556  -8.615 -15.035
  536   1HG1  ILE  72          HG12      ILE  72 -13.703  -9.793 -17.201
  537   2HG1  ILE  72          HG13      ILE  72 -13.551 -10.795 -15.782
  538   1HG2  ILE  72          HG21      ILE  72 -14.794 -10.150 -13.639
  539   2HG2  ILE  72          HG22      ILE  72 -15.432  -8.504 -13.484
  540   3HG2  ILE  72          HG23      ILE  72 -16.314  -9.709 -14.429
  541   1HD1  ILE  72          HD11      ILE  72 -16.109 -10.415 -17.386
  542   2HD1  ILE  72          HD12      ILE  72 -15.042 -11.821 -17.389
  543   3HD1  ILE  72          HD13      ILE  72 -15.945 -11.420 -15.924
  544    HA   PRO  73           HA       PRO  73 -12.788  -6.642 -14.871
  545   1HB   PRO  73          HB2       PRO  73 -11.196  -4.424 -15.228
  546   2HB   PRO  73          HB3       PRO  73 -10.639  -6.101 -15.449
  547   1HG   PRO  73          HG2       PRO  73 -11.463  -4.108 -17.546
  548   2HG   PRO  73          HG3       PRO  73 -10.141  -5.319 -17.605
  549   1HD   PRO  73          HD2       PRO  73 -12.586  -5.679 -18.829
  550   2HD   PRO  73          HD3       PRO  73 -11.595  -7.026 -18.199
  551    H    THR  74           H        THR  74 -13.799  -5.362 -13.358
  552    HA   THR  74           HA       THR  74 -15.085  -2.839 -14.255
  553    HB   THR  74           HB       THR  74 -16.405  -5.081 -12.682
  554    HG1  THR  74           HG1      THR  74 -17.196  -5.508 -14.539
  555   1HG2  THR  74          HG21      THR  74 -18.391  -3.468 -12.728
  556   2HG2  THR  74          HG22      THR  74 -17.089  -3.047 -11.606
  557   3HG2  THR  74          HG23      THR  74 -17.240  -2.184 -13.147
  558    H    LEU  75           H        LEU  75 -14.403  -1.251 -13.055
  559    HA   LEU  75           HA       LEU  75 -12.901  -1.815 -10.550
  560   1HB   LEU  75          HB2       LEU  75 -13.024   0.656 -12.331
  561   2HB   LEU  75          HB3       LEU  75 -12.122   0.530 -10.829
  562    HG   LEU  75           HG       LEU  75 -11.593  -1.077 -13.369
  563   1HD1  LEU  75          HD11      LEU  75  -9.532   0.279 -13.489
  564   2HD1  LEU  75          HD12      LEU  75 -10.976   1.301 -13.543
  565   3HD1  LEU  75          HD13      LEU  75 -10.027   1.178 -12.048
  566   1HD2  LEU  75          HD21      LEU  75 -10.081  -1.073 -10.719
  567   2HD2  LEU  75          HD22      LEU  75 -10.957  -2.434 -11.455
  568   3HD2  LEU  75          HD23      LEU  75  -9.507  -1.816 -12.233
  569    H    LEU  76           H        LEU  76 -13.693  -0.976  -8.656
  570    HA   LEU  76           HA       LEU  76 -16.034   0.880  -8.775
  571   1HB   LEU  76          HB2       LEU  76 -15.730  -1.634  -7.141
  572   2HB   LEU  76          HB3       LEU  76 -16.303  -0.183  -6.324
  573    HG   LEU  76           HG       LEU  76 -18.105   0.061  -8.014
  574   1HD1  LEU  76          HD11      LEU  76 -18.782  -1.912  -9.327
  575   2HD1  LEU  76          HD12      LEU  76 -17.186  -1.352  -9.832
  576   3HD1  LEU  76          HD13      LEU  76 -17.327  -2.787  -8.801
  577   1HD2  LEU  76          HD21      LEU  76 -18.130  -2.529  -6.411
  578   2HD2  LEU  76          HD22      LEU  76 -18.467  -0.912  -5.764
  579   3HD2  LEU  76          HD23      LEU  76 -19.541  -1.613  -6.979
  580    H    VAL  77           H        VAL  77 -15.598   2.719  -7.663
  581    HA   VAL  77           HA       VAL  77 -13.102   2.797  -6.023
  582    HB   VAL  77           HB       VAL  77 -14.762   5.174  -6.930
  583   1HG1  VAL  77          HG11      VAL  77 -13.326   5.518  -4.937
  584   2HG1  VAL  77          HG12      VAL  77 -11.920   4.914  -5.834
  585   3HG1  VAL  77          HG13      VAL  77 -12.710   6.428  -6.320
  586   1HG2  VAL  77          HG21      VAL  77 -12.242   4.073  -8.248
  587   2HG2  VAL  77          HG22      VAL  77 -13.856   4.160  -8.985
  588   3HG2  VAL  77          HG23      VAL  77 -12.989   5.647  -8.599
  589    H    LEU  78           H        LEU  78 -13.468   2.758  -3.881
  590    HA   LEU  78           HA       LEU  78 -16.173   3.374  -2.797
  591   1HB   LEU  78          HB2       LEU  78 -14.372   1.145  -1.766
  592   2HB   LEU  78          HB3       LEU  78 -15.933   1.629  -1.147
  593    HG   LEU  78           HG       LEU  78 -16.619   1.036  -3.752
  594   1HD1  LEU  78          HD11      LEU  78 -14.423  -0.931  -2.971
  595   2HD1  LEU  78          HD12      LEU  78 -15.533  -1.104  -4.340
  596   3HD1  LEU  78          HD13      LEU  78 -14.358   0.222  -4.310
  597   1HD2  LEU  78          HD21      LEU  78 -17.790   0.234  -1.736
  598   2HD2  LEU  78          HD22      LEU  78 -17.537  -1.065  -2.905
  599   3HD2  LEU  78          HD23      LEU  78 -16.511  -0.960  -1.456
  600    H    LYS  79           H        LYS  79 -16.052   4.105  -0.525
  601    HA   LYS  79           HA       LYS  79 -13.383   4.877   0.440
  602   1HB   LYS  79          HB2       LYS  79 -14.195   6.704  -1.098
  603   2HB   LYS  79          HB3       LYS  79 -15.575   6.956  -0.022
  604   1HG   LYS  79          HG2       LYS  79 -14.075   7.621   1.805
  605   2HG   LYS  79          HG3       LYS  79 -12.657   7.152   0.848
  606   1HD   LYS  79          HD2       LYS  79 -13.317   8.862  -0.879
  607   2HD   LYS  79          HD3       LYS  79 -14.610   9.409   0.204
  608   1HE   LYS  79          HE2       LYS  79 -12.949  10.080   1.897
  609   2HE   LYS  79          HE3       LYS  79 -11.651   9.359   0.941
  610   1HZ   LYS  79          HZ1       LYS  79 -12.310  10.962  -0.853
  611   2HZ   LYS  79          HZ2       LYS  79 -13.178  11.786   0.283
  612   3HZ   LYS  79          HZ3       LYS  79 -11.536  11.597   0.403
  613    H    ASP  80           H        ASP  80 -13.346   4.387   2.570
  614    HA   ASP  80           HA       ASP  80 -14.031   3.689   4.568
  615   1HB   ASP  80          HB2       ASP  80 -13.968   6.154   4.708
  616   2HB   ASP  80          HB3       ASP  80 -15.703   6.217   4.399
  617    H    GLY  81           H        GLY  81 -15.514   2.310   2.575
  618   1HA   GLY  81          HA2       GLY  81 -16.796   0.478   3.141
  619   2HA   GLY  81          HA3       GLY  81 -17.736   1.414   4.298
  620    H    GLU  82           H        GLU  82 -17.730   3.314   1.470
  621    HA   GLU  82           HA       GLU  82 -20.063   1.849   0.345
  622   1HB   GLU  82          HB2       GLU  82 -21.336   3.812   0.311
  623   2HB   GLU  82          HB3       GLU  82 -20.619   3.710   1.926
  624   1HG   GLU  82          HG2       GLU  82 -18.909   5.393   1.257
  625   2HG   GLU  82          HG3       GLU  82 -19.678   5.532  -0.326
  626    H    VAL  83           H        VAL  83 -20.381   2.046  -1.881
  627    HA   VAL  83           HA       VAL  83 -18.068   2.642  -3.526
  628    HB   VAL  83           HB       VAL  83 -19.539   0.812  -4.057
  629   1HG1  VAL  83          HG11      VAL  83 -21.722   1.617  -3.253
  630   2HG1  VAL  83          HG12      VAL  83 -21.770   2.817  -4.565
  631   3HG1  VAL  83          HG13      VAL  83 -21.804   1.080  -4.930
  632   1HG2  VAL  83          HG21      VAL  83 -18.333   1.910  -5.887
  633   2HG2  VAL  83          HG22      VAL  83 -19.869   1.224  -6.431
  634   3HG2  VAL  83          HG23      VAL  83 -19.728   2.972  -6.187
  635    H    VAL  84           H        VAL  84 -17.636   4.359  -4.664
  636    HA   VAL  84           HA       VAL  84 -19.464   6.692  -4.613
  637    HB   VAL  84           HB       VAL  84 -17.503   8.155  -4.351
  638   1HG1  VAL  84          HG11      VAL  84 -18.880   7.500  -2.386
  639   2HG1  VAL  84          HG12      VAL  84 -17.747   6.175  -2.047
  640   3HG1  VAL  84          HG13      VAL  84 -17.200   7.860  -1.961
  641   1HG2  VAL  84          HG21      VAL  84 -15.350   7.330  -3.567
  642   2HG2  VAL  84          HG22      VAL  84 -15.904   5.654  -3.656
  643   3HG2  VAL  84          HG23      VAL  84 -15.710   6.613  -5.143
  644    H    GLU  85           H        GLU  85 -17.456   4.522  -6.527
  645    HA   GLU  85           HA       GLU  85 -18.704   5.776  -8.821
  646   1HB   GLU  85          HB2       GLU  85 -15.992   6.566  -8.244
  647   2HB   GLU  85          HB3       GLU  85 -15.937   5.541  -9.664
  648   1HG   GLU  85          HG2       GLU  85 -17.737   7.988  -9.354
  649   2HG   GLU  85          HG3       GLU  85 -16.167   7.981 -10.136
  650    H    THR  86           H        THR  86 -18.307   4.502 -10.850
  651    HA   THR  86           HA       THR  86 -17.201   1.793 -10.514
  652    HB   THR  86           HB       THR  86 -20.087   2.387 -11.304
  653    HG1  THR  86           HG1      THR  86 -19.029   2.034  -8.986
  654   1HG2  THR  86          HG21      THR  86 -20.329  -0.128 -11.359
  655   2HG2  THR  86          HG22      THR  86 -19.369   0.545 -12.683
  656   3HG2  THR  86          HG23      THR  86 -18.554  -0.244 -11.322
  657    H    SER  87           H        SER  87 -16.288   1.092 -12.430
  658    HA   SER  87           HA       SER  87 -16.818   2.494 -14.985
  659   1HB   SER  87          HB2       SER  87 -14.044   2.201 -13.736
  660   2HB   SER  87          HB3       SER  87 -14.435   2.945 -15.293
  661    HG   SER  87           HG       SER  87 -14.106   4.492 -13.645
  662    H    VAL  88           H        VAL  88 -16.042   1.171 -16.834
  663    HA   VAL  88           HA       VAL  88 -15.431  -1.663 -16.123
  664    HB   VAL  88           HB       VAL  88 -17.514  -0.710 -18.130
  665   1HG1  VAL  88          HG11      VAL  88 -16.796  -3.512 -17.156
  666   2HG1  VAL  88          HG12      VAL  88 -18.180  -3.112 -18.197
  667   3HG1  VAL  88          HG13      VAL  88 -16.542  -2.865 -18.794
  668   1HG2  VAL  88          HG21      VAL  88 -19.200  -1.712 -16.597
  669   2HG2  VAL  88          HG22      VAL  88 -17.926  -1.973 -15.388
  670   3HG2  VAL  88          HG23      VAL  88 -18.396  -0.325 -15.870
  671    H    GLY  89           H        GLY  89 -14.135  -2.738 -17.586
  672   1HA   GLY  89          HA2       GLY  89 -12.943  -3.119 -19.548
  673   2HA   GLY  89          HA3       GLY  89 -13.375  -1.519 -20.157
  674    H    PHE  90           H        PHE  90 -10.913  -2.023 -20.644
  675    HA   PHE  90           HA       PHE  90  -8.906  -1.534 -18.671
  676   1HB   PHE  90          HB2       PHE  90  -8.456  -2.543 -20.858
  677   2HB   PHE  90          HB3       PHE  90  -9.010  -1.092 -21.682
  678    HD1  PHE  90           HD1      PHE  90  -7.575   0.853 -21.940
  679    HD2  PHE  90           HD2      PHE  90  -6.282  -2.542 -19.610
  680    HE1  PHE  90           HE1      PHE  90  -5.271   1.770 -21.881
  681    HE2  PHE  90           HE2      PHE  90  -3.974  -1.619 -19.567
  682    HZ   PHE  90           HZ       PHE  90  -3.469   0.536 -20.690
  683    H    LYS  91           H        LYS  91  -7.677   0.436 -18.304
  684    HA   LYS  91           HA       LYS  91  -8.635   2.911 -19.471
  685   1HB   LYS  91          HB2       LYS  91  -8.616   2.475 -16.438
  686   2HB   LYS  91          HB3       LYS  91  -8.252   4.044 -17.136
  687   1HG   LYS  91          HG2       LYS  91 -10.461   4.376 -16.883
  688   2HG   LYS  91          HG3       LYS  91 -10.469   3.692 -18.504
  689   1HD   LYS  91          HD2       LYS  91 -10.766   1.376 -17.184
  690   2HD   LYS  91          HD3       LYS  91 -11.195   2.407 -15.837
  691   1HE   LYS  91          HE2       LYS  91 -13.180   1.612 -16.962
  692   2HE   LYS  91          HE3       LYS  91 -13.074   3.371 -17.143
  693   1HZ   LYS  91          HZ1       LYS  91 -13.587   1.750 -19.132
  694   2HZ   LYS  91          HZ2       LYS  91 -12.738   3.139 -19.387
  695   3HZ   LYS  91          HZ3       LYS  91 -11.953   1.702 -19.273
  696    HA   PRO  92           HA       PRO  92  -4.183   3.373 -19.336
  697   1HB   PRO  92          HB2       PRO  92  -3.904   6.036 -19.835
  698   2HB   PRO  92          HB3       PRO  92  -4.497   4.883 -21.079
  699   1HG   PRO  92          HG2       PRO  92  -6.135   6.701 -19.306
  700   2HG   PRO  92          HG3       PRO  92  -6.259   6.478 -21.079
  701   1HD   PRO  92          HD2       PRO  92  -7.868   5.141 -19.308
  702   2HD   PRO  92          HD3       PRO  92  -7.325   4.399 -20.843
  703    H    LYS  93           H        LYS  93  -2.546   4.306 -17.950
  704    HA   LYS  93           HA       LYS  93  -3.181   4.411 -15.216
  705   1HB   LYS  93          HB2       LYS  93  -0.910   3.929 -16.081
  706   2HB   LYS  93          HB3       LYS  93  -0.782   5.577 -16.713
  707   1HG   LYS  93          HG2       LYS  93  -0.959   6.450 -14.361
  708   2HG   LYS  93          HG3       LYS  93  -0.962   4.775 -13.775
  709   1HD   LYS  93          HD2       LYS  93   1.284   4.428 -14.673
  710   2HD   LYS  93          HD3       LYS  93   1.248   6.005 -15.495
  711   1HE   LYS  93          HE2       LYS  93   1.050   7.175 -13.345
  712   2HE   LYS  93          HE3       LYS  93   1.025   5.630 -12.482
  713   1HZ   LYS  93          HZ1       LYS  93   3.313   6.633 -14.075
  714   2HZ   LYS  93          HZ2       LYS  93   3.222   6.625 -12.437
  715   3HZ   LYS  93          HZ3       LYS  93   3.273   5.198 -13.268
  716    H    GLU  94           H        GLU  94  -2.681   7.171 -17.489
  717    HA   GLU  94           HA       GLU  94  -2.632   9.084 -15.432
  718   1HB   GLU  94          HB2       GLU  94  -3.371   9.410 -18.375
  719   2HB   GLU  94          HB3       GLU  94  -3.059  10.753 -17.264
  720   1HG   GLU  94          HG2       GLU  94  -0.763   9.877 -16.854
  721   2HG   GLU  94          HG3       GLU  94  -1.054   8.578 -18.012
  722    H    ALA  95           H        ALA  95  -5.389   7.934 -17.351
  723    HA   ALA  95           HA       ALA  95  -7.323   9.703 -16.208
  724   1HB   ALA  95          HB1       ALA  95  -7.586   6.898 -17.363
  725   2HB   ALA  95          HB2       ALA  95  -8.925   8.041 -17.111
  726   3HB   ALA  95          HB3       ALA  95  -7.655   8.417 -18.302
  727    H    LEU  96           H        LEU  96  -6.179   6.391 -15.351
  728    HA   LEU  96           HA       LEU  96  -8.144   6.036 -13.338
  729   1HB   LEU  96          HB2       LEU  96  -6.980   4.194 -14.493
  730   2HB   LEU  96          HB3       LEU  96  -5.458   4.658 -13.726
  731    HG   LEU  96           HG       LEU  96  -6.382   4.131 -11.506
  732   1HD1  LEU  96          HD11      LEU  96  -8.752   4.620 -11.758
  733   2HD1  LEU  96          HD12      LEU  96  -8.925   3.344 -12.988
  734   3HD1  LEU  96          HD13      LEU  96  -8.561   2.937 -11.294
  735   1HD2  LEU  96          HD21      LEU  96  -6.835   1.884 -13.525
  736   2HD2  LEU  96          HD22      LEU  96  -5.266   2.372 -12.855
  737   3HD2  LEU  96          HD23      LEU  96  -6.503   1.690 -11.789
  738    H    GLN  97           H        GLN  97  -4.746   7.270 -13.180
  739    HA   GLN  97           HA       GLN  97  -4.889   7.529 -10.296
  740   1HB   GLN  97          HB2       GLN  97  -2.795   8.617 -10.337
  741   2HB   GLN  97          HB3       GLN  97  -2.750   7.247 -11.432
  742   1HG   GLN  97          HG2       GLN  97  -1.610   8.886 -12.619
  743   2HG   GLN  97          HG3       GLN  97  -3.224   8.932 -13.308
  744   1HE2  GLN  97          HE22      GLN  97  -3.931  10.956 -13.721
  745   2HE2  GLN  97          HE21      GLN  97  -3.451  12.394 -12.835
  746    H    GLU  98           H        GLU  98  -5.833   9.587 -13.044
  747    HA   GLU  98           HA       GLU  98  -6.177  11.963 -11.511
  748   1HB   GLU  98          HB2       GLU  98  -6.153  11.969 -13.970
  749   2HB   GLU  98          HB3       GLU  98  -7.652  11.028 -14.011
  750   1HG   GLU  98          HG2       GLU  98  -8.780  12.881 -12.751
  751   2HG   GLU  98          HG3       GLU  98  -7.296  13.831 -12.880
  752    H    LEU  99           H        LEU  99  -8.369   9.277 -12.392
  753    HA   LEU  99           HA       LEU  99 -10.670  10.156 -11.019
  754   1HB   LEU  99          HB2       LEU  99 -10.658   8.322 -12.665
  755   2HB   LEU  99          HB3       LEU  99  -9.679   7.330 -11.588
  756    HG   LEU  99           HG       LEU  99 -11.539   7.270  -9.933
  757   1HD1  LEU  99          HD11      LEU  99 -12.713   9.369 -10.476
  758   2HD1  LEU  99          HD12      LEU  99 -13.114   8.748 -12.093
  759   3HD1  LEU  99          HD13      LEU  99 -13.805   7.997 -10.638
  760   1HD2  LEU  99          HD21      LEU  99 -11.285   5.477 -11.591
  761   2HD2  LEU  99          HD22      LEU  99 -12.994   5.762 -11.237
  762   3HD2  LEU  99          HD23      LEU  99 -12.289   6.377 -12.748
  763    H    VAL 100           H        VAL 100  -7.963   8.083  -9.847
  764    HA   VAL 100           HA       VAL 100  -9.007   7.687  -7.236
  765    HB   VAL 100           HB       VAL 100  -6.241   7.562  -8.465
  766   1HG1  VAL 100          HG11      VAL 100  -5.728   8.217  -6.194
  767   2HG1  VAL 100          HG12      VAL 100  -6.893   7.053  -5.536
  768   3HG1  VAL 100          HG13      VAL 100  -5.423   6.493  -6.368
  769   1HG2  VAL 100          HG21      VAL 100  -6.542   5.147  -8.067
  770   2HG2  VAL 100          HG22      VAL 100  -8.089   5.450  -7.254
  771   3HG2  VAL 100          HG23      VAL 100  -7.911   5.777  -8.984
  772    H    ASN 101           H        ASN 101  -6.660  10.190  -8.433
  773    HA   ASN 101           HA       ASN 101  -6.475  11.411  -5.890
  774   1HB   ASN 101          HB2       ASN 101  -4.890  12.637  -6.757
  775   2HB   ASN 101          HB3       ASN 101  -5.094  11.731  -8.239
  776   1HD2  ASN 101          HD22      ASN 101  -6.834  12.716  -9.808
  777   2HD2  ASN 101          HD21      ASN 101  -6.740  14.456  -9.965
  778    H    LYS 102           H        LYS 102  -8.875  11.896  -8.429
  779    HA   LYS 102           HA       LYS 102 -10.068  14.238  -7.249
  780   1HB   LYS 102          HB2       LYS 102 -11.044  12.108  -9.190
  781   2HB   LYS 102          HB3       LYS 102 -12.125  13.367  -8.587
  782   1HG   LYS 102          HG2       LYS 102 -10.716  15.132  -9.448
  783   2HG   LYS 102          HG3       LYS 102  -9.474  13.981  -9.960
  784   1HD   LYS 102          HD2       LYS 102 -10.940  13.017 -11.632
  785   2HD   LYS 102          HD3       LYS 102 -12.325  13.959 -11.037
  786   1HE   LYS 102          HE2       LYS 102 -11.251  16.056 -11.656
  787   2HE   LYS 102          HE3       LYS 102  -9.774  15.218 -12.143
  788   1HZ   LYS 102          HZ1       LYS 102 -11.299  15.854 -13.984
  789   2HZ   LYS 102          HZ2       LYS 102 -10.880  14.282 -13.998
  790   3HZ   LYS 102          HZ3       LYS 102 -12.379  14.748 -13.469
  791    H    HIS 103           H        HIS 103 -10.408  10.751  -6.512
  792    HA   HIS 103           HA       HIS 103 -12.693  11.324  -4.732
  793   1HB   HIS 103          HB2       HIS 103 -11.353   8.795  -5.707
  794   2HB   HIS 103          HB3       HIS 103 -12.424   8.775  -4.307
  795    HD1  HIS 103           HD1      HIS 103 -15.013   9.799  -4.790
  796    HD2  HIS 103           HD2      HIS 103 -12.591   8.712  -8.053
  797    HE1  HIS 103           HE1      HIS 103 -16.567   9.565  -6.796
  798    H    LEU 104           H        LEU 104  -9.219  11.107  -4.401
  799    HA   LEU 104           HA       LEU 104  -9.064  10.342  -1.682
  800   1HB   LEU 104          HB2       LEU 104  -7.365  12.396  -3.142
  801   2HB   LEU 104          HB3       LEU 104  -7.019  11.739  -1.550
  802    HG   LEU 104           HG       LEU 104  -7.009  10.210  -4.169
  803   1HD1  LEU 104          HD11      LEU 104  -5.069  11.669  -3.786
  804   2HD1  LEU 104          HD12      LEU 104  -4.781  10.888  -2.219
  805   3HD1  LEU 104          HD13      LEU 104  -4.619   9.960  -3.729
  806   1HD2  LEU 104          HD21      LEU 104  -6.160   8.274  -2.857
  807   2HD2  LEU 104          HD22      LEU 104  -6.600   9.132  -1.360
  808   3HD2  LEU 104          HD23      LEU 104  -7.844   8.657  -2.543
  Start of MODEL   14
    1   1H    MET   1          H1        MET   1  -0.038   0.017   2.513
    2   2H    MET   1          H2        MET   1  -0.437   1.187   1.433
    3   3H    MET   1          H3        MET   1  -0.884   1.326   3.008
    4    HA   MET   1           HA       MET   1  -2.345  -0.538   2.861
    5   1HB   MET   1          HB2       MET   1  -2.747   1.720   0.921
    6   2HB   MET   1          HB3       MET   1  -3.872   0.358   0.921
    7   1HG   MET   1          HG2       MET   1  -3.223   2.114   3.314
    8   2HG   MET   1          HG3       MET   1  -4.656   2.218   2.294
    9   1HE   MET   1          HE1       MET   1  -6.331   2.094   4.283
   10   2HE   MET   1          HE2       MET   1  -6.220   0.896   5.593
   11   3HE   MET   1          HE3       MET   1  -4.932   2.102   5.384
   12    H    ALA   2           H        ALA   2  -1.064   0.115  -0.497
   13    HA   ALA   2           HA       ALA   2  -0.421  -1.284  -2.137
   14   1HB   ALA   2          HB1       ALA   2  -0.263  -3.537  -0.134
   15   2HB   ALA   2          HB2       ALA   2   0.574  -3.377  -1.685
   16   3HB   ALA   2          HB3       ALA   2   0.993  -2.293  -0.355
   17    H    ILE   3           H        ILE   3  -0.911  -3.566  -3.125
   18    HA   ILE   3           HA       ILE   3  -3.776  -3.724  -3.587
   19    HB   ILE   3           HB       ILE   3  -1.301  -5.082  -4.658
   20   1HG1  ILE   3          HG12      ILE   3  -3.520  -3.823  -6.291
   21   2HG1  ILE   3          HG13      ILE   3  -2.350  -2.789  -5.468
   22   1HG2  ILE   3          HG21      ILE   3  -4.199  -5.915  -5.266
   23   2HG2  ILE   3          HG22      ILE   3  -2.823  -6.397  -6.262
   24   3HG2  ILE   3          HG23      ILE   3  -2.920  -6.950  -4.589
   25   1HD1  ILE   3          HD11      ILE   3  -1.785  -3.189  -7.807
   26   2HD1  ILE   3          HD12      ILE   3  -0.521  -3.804  -6.714
   27   3HD1  ILE   3          HD13      ILE   3  -1.652  -4.928  -7.515
   28    H    VAL   4           H        VAL   4  -5.070  -5.399  -2.864
   29    HA   VAL   4           HA       VAL   4  -4.101  -7.440  -0.957
   30    HB   VAL   4           HB       VAL   4  -6.439  -5.517  -0.500
   31   1HG1  VAL   4          HG11      VAL   4  -6.855  -7.599   0.679
   32   2HG1  VAL   4          HG12      VAL   4  -5.193  -7.617   1.329
   33   3HG1  VAL   4          HG13      VAL   4  -6.370  -6.397   1.852
   34   1HG2  VAL   4          HG21      VAL   4  -4.413  -4.205  -0.200
   35   2HG2  VAL   4          HG22      VAL   4  -5.084  -4.561   1.383
   36   3HG2  VAL   4          HG23      VAL   4  -3.682  -5.481   0.800
   37    H    LYS   5           H        LYS   5  -6.113  -9.019  -0.642
   38    HA   LYS   5           HA       LYS   5  -7.848  -9.109  -3.068
   39   1HB   LYS   5          HB2       LYS   5  -6.322 -11.427  -1.792
   40   2HB   LYS   5          HB3       LYS   5  -7.688 -11.634  -2.876
   41   1HG   LYS   5          HG2       LYS   5  -6.458 -11.373  -4.701
   42   2HG   LYS   5          HG3       LYS   5  -5.784  -9.848  -4.149
   43   1HD   LYS   5          HD2       LYS   5  -4.720 -12.586  -3.342
   44   2HD   LYS   5          HD3       LYS   5  -4.078 -11.592  -4.661
   45   1HE   LYS   5          HE2       LYS   5  -3.589  -9.755  -3.060
   46   2HE   LYS   5          HE3       LYS   5  -4.202 -10.746  -1.730
   47   1HZ   LYS   5          HZ1       LYS   5  -1.854 -11.425  -3.411
   48   2HZ   LYS   5          HZ2       LYS   5  -1.795 -10.870  -1.881
   49   3HZ   LYS   5          HZ3       LYS   5  -2.424 -12.341  -2.184
   50    H    ALA   6           H        ALA   6  -9.968  -9.736  -2.571
   51    HA   ALA   6           HA       ALA   6 -10.549 -10.659   0.164
   52   1HB   ALA   6          HB1       ALA   6 -10.667  -8.127   0.224
   53   2HB   ALA   6          HB2       ALA   6 -11.962  -8.223  -0.992
   54   3HB   ALA   6          HB3       ALA   6 -12.190  -8.941   0.614
   55    H    THR   7           H        THR   7 -12.986 -11.130   0.350
   56    HA   THR   7           HA       THR   7 -14.238 -11.895  -2.189
   57    HB   THR   7           HB       THR   7 -14.831 -14.106  -1.195
   58    HG1  THR   7           HG1      THR   7 -14.555 -14.282   0.799
   59   1HG2  THR   7          HG21      THR   7 -12.811 -13.930  -2.679
   60   2HG2  THR   7          HG22      THR   7 -11.806 -13.790  -1.219
   61   3HG2  THR   7          HG23      THR   7 -12.754 -15.261  -1.507
   62    H    ASP   8           H        ASP   8 -16.660 -12.514  -1.558
   63    HA   ASP   8           HA       ASP   8 -17.956 -10.336  -0.545
   64   1HB   ASP   8          HB2       ASP   8 -18.968 -12.425  -1.687
   65   2HB   ASP   8          HB3       ASP   8 -19.025 -13.148  -0.092
   66    H    GLN   9           H        GLN   9 -16.660 -12.986   1.317
   67    HA   GLN   9           HA       GLN   9 -17.966 -12.639   3.793
   68   1HB   GLN   9          HB2       GLN   9 -15.242 -13.814   3.067
   69   2HB   GLN   9          HB3       GLN   9 -16.010 -13.968   4.645
   70   1HG   GLN   9          HG2       GLN   9 -16.485 -16.006   3.558
   71   2HG   GLN   9          HG3       GLN   9 -17.987 -15.094   3.530
   72   1HE2  GLN   9          HE22      GLN   9 -18.727 -16.472   1.690
   73   2HE2  GLN   9          HE21      GLN   9 -18.079 -16.200   0.091
   74    H    SER  10           H        SER  10 -15.122 -10.964   2.446
   75    HA   SER  10           HA       SER  10 -14.981  -9.314   4.940
   76   1HB   SER  10          HB2       SER  10 -12.571 -10.516   3.515
   77   2HB   SER  10          HB3       SER  10 -12.571  -9.593   5.027
   78    HG   SER  10           HG       SER  10 -12.426 -11.853   5.380
   79    H    PHE  11           H        PHE  11 -15.209  -9.188   1.580
   80    HA   PHE  11           HA       PHE  11 -13.613  -7.027   0.830
   81   1HB   PHE  11          HB2       PHE  11 -14.989  -8.397  -0.682
   82   2HB   PHE  11          HB3       PHE  11 -16.465  -7.756   0.029
   83    HD1  PHE  11           HD1      PHE  11 -17.219  -5.448  -0.487
   84    HD2  PHE  11           HD2      PHE  11 -13.613  -7.078  -2.212
   85    HE1  PHE  11           HE1      PHE  11 -17.178  -3.617  -2.161
   86    HE2  PHE  11           HE2      PHE  11 -13.600  -5.277  -3.892
   87    HZ   PHE  11           HZ       PHE  11 -15.408  -3.544  -3.884
   88    H    SER  12           H        SER  12 -16.710  -6.997   2.651
   89    HA   SER  12           HA       SER  12 -17.076  -4.195   2.485
   90   1HB   SER  12          HB2       SER  12 -18.062  -6.048   4.686
   91   2HB   SER  12          HB3       SER  12 -18.805  -4.535   4.135
   92    HG   SER  12           HG       SER  12 -19.839  -6.400   3.277
   93    H    ALA  13           H        ALA  13 -15.306  -6.214   4.828
   94    HA   ALA  13           HA       ALA  13 -14.768  -4.066   6.667
   95   1HB   ALA  13          HB1       ALA  13 -14.626  -6.437   7.354
   96   2HB   ALA  13          HB2       ALA  13 -13.282  -6.697   6.214
   97   3HB   ALA  13          HB3       ALA  13 -13.079  -5.603   7.594
   98    H    GLU  14           H        GLU  14 -13.013  -5.580   3.913
   99    HA   GLU  14           HA       GLU  14 -10.658  -4.045   4.216
  100   1HB   GLU  14          HB2       GLU  14 -11.868  -5.509   1.836
  101   2HB   GLU  14          HB3       GLU  14 -10.307  -4.701   1.734
  102   1HG   GLU  14          HG2       GLU  14 -11.021  -6.887   3.726
  103   2HG   GLU  14          HG3       GLU  14 -10.115  -7.126   2.231
  104    H    THR  15           H        THR  15 -13.645  -3.339   2.359
  105    HA   THR  15           HA       THR  15 -12.487  -0.987   1.183
  106    HB   THR  15           HB       THR  15 -14.889  -0.590   0.453
  107    HG1  THR  15           HG1      THR  15 -15.217  -3.267   1.322
  108   1HG2  THR  15          HG21      THR  15 -13.232  -1.613  -1.011
  109   2HG2  THR  15          HG22      THR  15 -13.473  -3.205  -0.264
  110   3HG2  THR  15          HG23      THR  15 -14.774  -2.443  -1.198
  111    H    SER  16           H        SER  16 -13.241  -1.467   4.359
  112    HA   SER  16           HA       SER  16 -14.471   1.207   4.742
  113   1HB   SER  16          HB2       SER  16 -14.528  -1.263   6.514
  114   2HB   SER  16          HB3       SER  16 -15.269   0.302   6.895
  115    HG   SER  16           HG       SER  16 -15.999  -1.609   4.981
  116    H    GLU  17           H        GLU  17 -11.624   0.872   4.283
  117    HA   GLU  17           HA       GLU  17 -10.668   2.028   6.870
  118   1HB   GLU  17          HB2       GLU  17  -9.137   0.116   5.064
  119   2HB   GLU  17          HB3       GLU  17  -8.516   0.879   6.535
  120   1HG   GLU  17          HG2       GLU  17 -10.354  -0.265   7.830
  121   2HG   GLU  17          HG3       GLU  17 -10.733  -1.184   6.364
  122    H    GLY  18           H        GLY  18 -11.233   2.902   3.699
  123   1HA   GLY  18          HA2       GLY  18  -9.826   5.286   3.736
  124   2HA   GLY  18          HA3       GLY  18  -8.690   4.075   3.064
  125    H    VAL  19           H        VAL  19  -8.861   5.547   1.140
  126    HA   VAL  19           HA       VAL  19 -11.247   5.171  -0.554
  127    HB   VAL  19           HB       VAL  19  -8.444   6.245  -1.147
  128   1HG1  VAL  19          HG11      VAL  19 -10.933   6.193  -2.924
  129   2HG1  VAL  19          HG12      VAL  19  -9.415   7.042  -3.295
  130   3HG1  VAL  19          HG13      VAL  19  -9.434   5.280  -3.197
  131   1HG2  VAL  19          HG21      VAL  19  -9.575   8.435  -1.319
  132   2HG2  VAL  19          HG22      VAL  19 -11.117   7.690  -0.889
  133   3HG2  VAL  19          HG23      VAL  19  -9.788   7.757   0.298
  134    H    VAL  20           H        VAL  20 -11.515   3.316  -1.742
  135    HA   VAL  20           HA       VAL  20  -9.215   1.464  -1.986
  136    HB   VAL  20           HB       VAL  20 -11.997   0.655  -1.053
  137   1HG1  VAL  20          HG11      VAL  20 -10.841  -1.541  -0.636
  138   2HG1  VAL  20          HG12      VAL  20 -10.934  -1.105  -2.345
  139   3HG1  VAL  20          HG13      VAL  20  -9.409  -0.897  -1.469
  140   1HG2  VAL  20          HG21      VAL  20 -11.133   1.649   0.862
  141   2HG2  VAL  20          HG22      VAL  20 -10.587  -0.009   1.074
  142   3HG2  VAL  20          HG23      VAL  20  -9.455   1.215   0.502
  143    H    LEU  21           H        LEU  21  -8.962   0.859  -4.016
  144    HA   LEU  21           HA       LEU  21 -11.162   1.196  -5.994
  145   1HB   LEU  21          HB2       LEU  21  -8.738   1.948  -6.473
  146   2HB   LEU  21          HB3       LEU  21  -8.292   0.246  -6.380
  147    HG   LEU  21           HG       LEU  21 -10.016  -0.179  -8.258
  148   1HD1  LEU  21          HD11      LEU  21  -9.846   2.875  -8.403
  149   2HD1  LEU  21          HD12      LEU  21 -10.503   1.842  -9.681
  150   3HD1  LEU  21          HD13      LEU  21 -11.306   1.911  -8.110
  151   1HD2  LEU  21          HD21      LEU  21  -7.656   1.638  -8.839
  152   2HD2  LEU  21          HD22      LEU  21  -7.578  -0.126  -8.641
  153   3HD2  LEU  21          HD23      LEU  21  -8.457   0.571 -10.010
  154    H    ALA  22           H        ALA  22 -12.170  -0.699  -6.785
  155    HA   ALA  22           HA       ALA  22 -11.220  -3.319  -5.674
  156   1HB   ALA  22          HB1       ALA  22 -13.650  -3.910  -5.657
  157   2HB   ALA  22          HB2       ALA  22 -13.185  -2.670  -4.463
  158   3HB   ALA  22          HB3       ALA  22 -14.027  -2.203  -5.958
  159    H    ASP  23           H        ASP  23 -10.522  -4.519  -7.251
  160    HA   ASP  23           HA       ASP  23 -11.329  -4.029 -10.061
  161   1HB   ASP  23          HB2       ASP  23  -8.954  -3.940  -9.679
  162   2HB   ASP  23          HB3       ASP  23  -8.974  -5.471  -8.801
  163    H    PHE  24           H        PHE  24 -13.269  -4.988 -10.131
  164    HA   PHE  24           HA       PHE  24 -13.735  -7.768  -9.330
  165   1HB   PHE  24          HB2       PHE  24 -15.366  -5.713 -10.864
  166   2HB   PHE  24          HB3       PHE  24 -15.874  -7.377 -10.633
  167    HD1  PHE  24           HD1      PHE  24 -15.087  -4.190  -8.842
  168    HD2  PHE  24           HD2      PHE  24 -16.806  -8.133  -8.519
  169    HE1  PHE  24           HE1      PHE  24 -15.931  -3.660  -6.568
  170    HE2  PHE  24           HE2      PHE  24 -17.646  -7.588  -6.262
  171    HZ   PHE  24           HZ       PHE  24 -17.168  -5.356  -5.262
  172    H    TRP  25           H        TRP  25 -12.774  -9.329 -10.510
  173    HA   TRP  25           HA       TRP  25 -12.280  -8.883 -13.414
  174   1HB   TRP  25          HB2       TRP  25 -10.006  -9.381 -13.234
  175   2HB   TRP  25          HB3       TRP  25 -10.312  -8.189 -11.995
  176    HD1  TRP  25           HD1      TRP  25 -10.698  -9.396  -9.450
  177    HE1  TRP  25           HE1      TRP  25  -9.342 -11.259  -8.335
  178    HE3  TRP  25           HE3      TRP  25  -8.449 -11.331 -13.618
  179    HZ2  TRP  25           HZ2      TRP  25  -7.435 -13.270  -9.145
  180    HZ3  TRP  25           HZ3      TRP  25  -6.820 -13.184 -13.405
  181    HH2  TRP  25           HH2      TRP  25  -6.335 -14.190 -11.190
  182    H    ALA  26           H        ALA  26 -11.217 -11.029 -14.335
  183    HA   ALA  26           HA       ALA  26 -11.873 -13.448 -12.899
  184   1HB   ALA  26          HB1       ALA  26 -13.219 -14.454 -14.659
  185   2HB   ALA  26          HB2       ALA  26 -14.025 -12.978 -14.117
  186   3HB   ALA  26          HB3       ALA  26 -13.122 -12.980 -15.651
  187    HA   PRO  27           HA       PRO  27  -8.071 -14.167 -14.942
  188   1HB   PRO  27          HB2       PRO  27  -7.701 -16.874 -14.744
  189   2HB   PRO  27          HB3       PRO  27  -7.736 -15.789 -13.322
  190   1HG   PRO  27          HG2       PRO  27 -10.000 -17.472 -14.434
  191   2HG   PRO  27          HG3       PRO  27  -9.454 -17.326 -12.731
  192   1HD   PRO  27          HD2       PRO  27 -11.564 -15.888 -13.738
  193   2HD   PRO  27          HD3       PRO  27 -10.465 -15.217 -12.489
  194    H    TRP  28           H        TRP  28 -10.892 -15.711 -16.405
  195    HA   TRP  28           HA       TRP  28  -9.410 -16.540 -18.791
  196   1HB   TRP  28          HB2       TRP  28 -11.789 -17.041 -19.580
  197   2HB   TRP  28          HB3       TRP  28 -11.123 -17.971 -18.259
  198    HD1  TRP  28           HD1      TRP  28 -12.987 -14.578 -18.002
  199    HE1  TRP  28           HE1      TRP  28 -15.042 -14.865 -16.526
  200    HE3  TRP  28           HE3      TRP  28 -12.560 -19.584 -17.007
  201    HZ2  TRP  28           HZ2      TRP  28 -16.292 -16.979 -14.981
  202    HZ3  TRP  28           HZ3      TRP  28 -14.179 -20.698 -15.496
  203    HH2  TRP  28           HH2      TRP  28 -16.046 -19.409 -14.479
  204    H    CYS  29           H        CYS  29 -10.406 -13.519 -17.634
  205    HA   CYS  29           HA       CYS  29 -11.284 -12.465 -20.250
  206   1HB   CYS  29          HB2       CYS  29 -12.465 -11.772 -18.184
  207   2HB   CYS  29          HB3       CYS  29 -10.936 -11.171 -17.519
  208    HG   CYS  29           HG       CYS  29 -12.607 -10.217 -20.224
  209    H    GLY  30           H        GLY  30  -9.687 -11.910 -21.660
  210   1HA   GLY  30          HA2       GLY  30  -6.930 -11.600 -21.134
  211   2HA   GLY  30          HA3       GLY  30  -7.802 -10.946 -22.528
  212    HA   PRO  31           HA       PRO  31  -7.729  -6.772 -21.090
  213   1HB   PRO  31          HB2       PRO  31 -10.628  -6.923 -20.251
  214   2HB   PRO  31          HB3       PRO  31  -9.769  -5.574 -21.065
  215   1HG   PRO  31          HG2       PRO  31 -11.225  -7.320 -22.526
  216   2HG   PRO  31          HG3       PRO  31  -9.590  -6.847 -23.095
  217   1HD   PRO  31          HD2       PRO  31 -10.439  -9.385 -21.710
  218   2HD   PRO  31          HD3       PRO  31  -9.269  -9.157 -23.037
  219    H    CYS  32           H        CYS  32  -9.370  -8.828 -18.587
  220    HA   CYS  32           HA       CYS  32  -8.675  -7.191 -16.345
  221   1HB   CYS  32          HB2       CYS  32  -8.995 -10.227 -16.557
  222   2HB   CYS  32          HB3       CYS  32  -8.743  -9.341 -15.054
  223    HG   CYS  32           HG       CYS  32 -11.191  -8.914 -17.254
  224    H    LYS  33           H        LYS  33  -6.835  -9.803 -18.020
  225    HA   LYS  33           HA       LYS  33  -4.587  -9.589 -16.175
  226   1HB   LYS  33          HB2       LYS  33  -4.917 -10.930 -18.890
  227   2HB   LYS  33          HB3       LYS  33  -3.448 -11.029 -17.908
  228   1HG   LYS  33          HG2       LYS  33  -4.648 -12.050 -16.054
  229   2HG   LYS  33          HG3       LYS  33  -6.201 -11.870 -16.868
  230   1HD   LYS  33          HD2       LYS  33  -3.924 -13.634 -17.856
  231   2HD   LYS  33          HD3       LYS  33  -5.337 -14.165 -16.928
  232   1HE   LYS  33          HE2       LYS  33  -6.767 -13.085 -18.796
  233   2HE   LYS  33          HE3       LYS  33  -5.276 -13.031 -19.753
  234   1HZ   LYS  33          HZ1       LYS  33  -6.579 -15.432 -18.617
  235   2HZ   LYS  33          HZ2       LYS  33  -6.493 -15.052 -20.210
  236   3HZ   LYS  33          HZ3       LYS  33  -5.134 -15.476 -19.409
  237    H    MET  34           H        MET  34  -5.486  -8.051 -19.262
  238    HA   MET  34           HA       MET  34  -2.951  -6.817 -19.728
  239   1HB   MET  34          HB2       MET  34  -5.750  -5.961 -20.563
  240   2HB   MET  34          HB3       MET  34  -4.260  -5.228 -21.150
  241   1HG   MET  34          HG2       MET  34  -3.547  -7.253 -22.212
  242   2HG   MET  34          HG3       MET  34  -4.805  -8.195 -21.427
  243   1HE   MET  34          HE1       MET  34  -5.237  -4.624 -23.233
  244   2HE   MET  34          HE2       MET  34  -4.000  -5.502 -24.166
  245   3HE   MET  34          HE3       MET  34  -5.597  -5.185 -24.877
  246    H    ILE  35           H        ILE  35  -5.884  -5.652 -17.908
  247    HA   ILE  35           HA       ILE  35  -4.571  -3.137 -17.360
  248    HB   ILE  35           HB       ILE  35  -7.053  -3.496 -17.596
  249   1HG1  ILE  35          HG12      ILE  35  -5.980  -1.926 -15.222
  250   2HG1  ILE  35          HG13      ILE  35  -6.108  -1.394 -16.898
  251   1HG2  ILE  35          HG21      ILE  35  -7.279  -5.439 -16.085
  252   2HG2  ILE  35          HG22      ILE  35  -6.941  -4.395 -14.689
  253   3HG2  ILE  35          HG23      ILE  35  -8.390  -4.145 -15.687
  254   1HD1  ILE  35          HD11      ILE  35  -8.357  -1.927 -14.928
  255   2HD1  ILE  35          HD12      ILE  35  -7.915  -0.398 -15.710
  256   3HD1  ILE  35          HD13      ILE  35  -8.645  -1.706 -16.663
  257    H    ALA  36           H        ALA  36  -4.462  -6.271 -15.785
  258    HA   ALA  36           HA       ALA  36  -4.037  -5.594 -13.162
  259   1HB   ALA  36          HB1       ALA  36  -2.734  -7.668 -12.943
  260   2HB   ALA  36          HB2       ALA  36  -4.193  -7.893 -13.925
  261   3HB   ALA  36          HB3       ALA  36  -2.601  -7.786 -14.706
  262    HA   PRO  37           HA       PRO  37   0.613  -4.623 -13.606
  263   1HB   PRO  37          HB2       PRO  37   1.625  -3.815 -16.059
  264   2HB   PRO  37          HB3       PRO  37   1.715  -5.480 -15.413
  265   1HG   PRO  37          HG2       PRO  37  -0.334  -4.332 -17.329
  266   2HG   PRO  37          HG3       PRO  37   0.565  -5.878 -17.464
  267   1HD   PRO  37          HD2       PRO  37  -1.946  -5.843 -16.507
  268   2HD   PRO  37          HD3       PRO  37  -0.719  -6.877 -15.736
  269    H    VAL  38           H        VAL  38  -1.795  -2.908 -15.643
  270    HA   VAL  38           HA       VAL  38  -0.694  -0.300 -15.202
  271    HB   VAL  38           HB       VAL  38  -3.607  -0.973 -15.789
  272   1HG1  VAL  38          HG11      VAL  38  -3.138   1.386 -15.236
  273   2HG1  VAL  38          HG12      VAL  38  -1.887   1.431 -16.503
  274   3HG1  VAL  38          HG13      VAL  38  -3.595   1.193 -16.930
  275   1HG2  VAL  38          HG21      VAL  38  -2.293  -2.170 -17.485
  276   2HG2  VAL  38          HG22      VAL  38  -3.014  -0.731 -18.197
  277   3HG2  VAL  38          HG23      VAL  38  -1.292  -0.727 -17.764
  278    H    LEU  39           H        LEU  39  -3.036  -2.393 -13.446
  279    HA   LEU  39           HA       LEU  39  -3.597  -0.450 -11.412
  280   1HB   LEU  39          HB2       LEU  39  -3.794  -3.485 -11.304
  281   2HB   LEU  39          HB3       LEU  39  -4.393  -2.381 -10.075
  282    HG   LEU  39           HG       LEU  39  -5.406  -2.573 -12.942
  283   1HD1  LEU  39          HD11      LEU  39  -7.451  -3.425 -11.892
  284   2HD1  LEU  39          HD12      LEU  39  -6.066  -4.446 -11.491
  285   3HD1  LEU  39          HD13      LEU  39  -6.696  -3.300 -10.285
  286   1HD2  LEU  39          HD21      LEU  39  -5.625  -0.254 -12.251
  287   2HD2  LEU  39          HD22      LEU  39  -7.211  -1.016 -12.172
  288   3HD2  LEU  39          HD23      LEU  39  -6.290  -0.741 -10.674
  289    H    GLU  40           H        GLU  40  -1.008  -2.944 -11.767
  290    HA   GLU  40           HA       GLU  40   0.090  -2.419  -9.172
  291   1HB   GLU  40          HB2       GLU  40   1.402  -3.470 -11.705
  292   2HB   GLU  40          HB3       GLU  40   2.228  -3.316 -10.154
  293   1HG   GLU  40          HG2       GLU  40   0.550  -4.793  -9.089
  294   2HG   GLU  40          HG3       GLU  40  -0.269  -4.994 -10.635
  295    H    GLU  41           H        GLU  41   0.587  -0.748 -12.316
  296    HA   GLU  41           HA       GLU  41   2.557   1.073 -11.297
  297   1HB   GLU  41          HB2       GLU  41   0.606   1.334 -13.611
  298   2HB   GLU  41          HB3       GLU  41   1.830   2.532 -13.219
  299   1HG   GLU  41          HG2       GLU  41   2.375  -0.358 -14.003
  300   2HG   GLU  41          HG3       GLU  41   2.547   1.046 -15.038
  301    H    LEU  42           H        LEU  42  -1.031   1.161 -11.361
  302    HA   LEU  42           HA       LEU  42  -1.240   3.748 -10.198
  303   1HB   LEU  42          HB2       LEU  42  -3.092   2.549 -11.354
  304   2HB   LEU  42          HB3       LEU  42  -3.144   1.387 -10.025
  305    HG   LEU  42           HG       LEU  42  -3.741   3.246  -8.442
  306   1HD1  LEU  42          HD11      LEU  42  -4.585   5.379  -9.428
  307   2HD1  LEU  42          HD12      LEU  42  -2.840   5.205  -9.607
  308   3HD1  LEU  42          HD13      LEU  42  -3.901   4.912 -11.001
  309   1HD2  LEU  42          HD21      LEU  42  -6.064   3.465  -9.311
  310   2HD2  LEU  42          HD22      LEU  42  -5.509   2.768 -10.858
  311   3HD2  LEU  42          HD23      LEU  42  -5.427   1.810  -9.376
  312    H    ASP  43           H        ASP  43  -0.970   0.471  -8.735
  313    HA   ASP  43           HA       ASP  43  -1.296   1.283  -6.051
  314   1HB   ASP  43          HB2       ASP  43  -1.329  -1.068  -6.891
  315   2HB   ASP  43          HB3       ASP  43   0.420  -1.001  -7.105
  316    H    GLN  44           H        GLN  44   1.640   1.124  -8.139
  317    HA   GLN  44           HA       GLN  44   3.459   2.010  -6.121
  318   1HB   GLN  44          HB2       GLN  44   3.416   2.101  -9.141
  319   2HB   GLN  44          HB3       GLN  44   4.762   2.801  -8.231
  320   1HG   GLN  44          HG2       GLN  44   5.392   0.694  -7.302
  321   2HG   GLN  44          HG3       GLN  44   3.872  -0.072  -7.769
  322   1HE2  GLN  44          HE22      GLN  44   3.461  -0.555  -9.974
  323   2HE2  GLN  44          HE21      GLN  44   4.694  -0.487 -11.234
  324    H    GLU  45           H        GLU  45   1.219   3.764  -8.247
  325    HA   GLU  45           HA       GLU  45   2.301   6.373  -7.683
  326   1HB   GLU  45          HB2       GLU  45   1.053   5.618  -9.765
  327   2HB   GLU  45          HB3       GLU  45  -0.422   5.586  -8.806
  328   1HG   GLU  45          HG2       GLU  45  -0.469   7.605  -9.982
  329   2HG   GLU  45          HG3       GLU  45  -0.068   8.062  -8.334
  330    H    MET  46           H        MET  46  -0.488   4.509  -6.407
  331    HA   MET  46           HA       MET  46  -1.069   6.695  -4.441
  332   1HB   MET  46          HB2       MET  46  -2.905   5.018  -6.198
  333   2HB   MET  46          HB3       MET  46  -3.484   6.001  -4.856
  334   1HG   MET  46          HG2       MET  46  -1.954   7.146  -7.211
  335   2HG   MET  46          HG3       MET  46  -3.707   7.055  -7.099
  336   1HE   MET  46          HE1       MET  46  -2.333   9.810  -7.697
  337   2HE   MET  46          HE2       MET  46  -4.089   9.596  -7.478
  338   3HE   MET  46          HE3       MET  46  -3.228  10.875  -6.592
  339    H    GLY  47           H        GLY  47  -0.220   3.366  -4.555
  340   1HA   GLY  47          HA2       GLY  47  -2.043   2.178  -2.775
  341   2HA   GLY  47          HA3       GLY  47  -0.416   1.630  -3.136
  342    H    ASP  48           H        ASP  48   0.099   4.590  -1.999
  343    HA   ASP  48           HA       ASP  48   0.794   3.769   0.716
  344   1HB   ASP  48          HB2       ASP  48   2.374   5.128  -0.572
  345   2HB   ASP  48          HB3       ASP  48   1.150   6.380  -0.802
  346    H    LYS  49           H        LYS  49  -1.698   5.611  -0.969
  347    HA   LYS  49           HA       LYS  49  -2.920   6.446   1.575
  348   1HB   LYS  49          HB2       LYS  49  -3.437   8.573   0.576
  349   2HB   LYS  49          HB3       LYS  49  -1.706   8.251   0.413
  350   1HG   LYS  49          HG2       LYS  49  -2.073   7.572  -1.975
  351   2HG   LYS  49          HG3       LYS  49  -3.795   7.919  -1.789
  352   1HD   LYS  49          HD2       LYS  49  -2.850   9.801  -2.865
  353   2HD   LYS  49          HD3       LYS  49  -3.170  10.306  -1.199
  354   1HE   LYS  49          HE2       LYS  49  -0.752   9.879  -0.656
  355   2HE   LYS  49          HE3       LYS  49  -0.478   9.410  -2.339
  356   1HZ   LYS  49          HZ1       LYS  49   0.154  11.701  -1.945
  357   2HZ   LYS  49          HZ2       LYS  49  -1.087  11.665  -2.999
  358   3HZ   LYS  49          HZ3       LYS  49  -1.340  12.100  -1.440
  359    H    LEU  50           H        LEU  50  -3.325   4.461  -1.033
  360    HA   LEU  50           HA       LEU  50  -6.212   4.327  -0.663
  361   1HB   LEU  50          HB2       LEU  50  -6.571   5.271  -2.641
  362   2HB   LEU  50          HB3       LEU  50  -4.889   5.273  -3.096
  363    HG   LEU  50           HG       LEU  50  -6.702   2.853  -3.489
  364   1HD1  LEU  50          HD11      LEU  50  -6.952   3.523  -5.773
  365   2HD1  LEU  50          HD12      LEU  50  -7.503   4.838  -4.730
  366   3HD1  LEU  50          HD13      LEU  50  -5.904   4.929  -5.515
  367   1HD2  LEU  50          HD21      LEU  50  -4.402   2.091  -3.681
  368   2HD2  LEU  50          HD22      LEU  50  -4.943   2.387  -5.324
  369   3HD2  LEU  50          HD23      LEU  50  -3.922   3.573  -4.512
  370    H    LYS  51           H        LYS  51  -6.991   2.171  -1.210
  371    HA   LYS  51           HA       LYS  51  -4.849   0.062  -1.149
  372   1HB   LYS  51          HB2       LYS  51  -6.374   0.279   0.870
  373   2HB   LYS  51          HB3       LYS  51  -7.741  -0.032  -0.196
  374   1HG   LYS  51          HG2       LYS  51  -6.682  -2.277  -0.762
  375   2HG   LYS  51          HG3       LYS  51  -5.478  -1.946   0.492
  376   1HD   LYS  51          HD2       LYS  51  -8.506  -2.121   0.878
  377   2HD   LYS  51          HD3       LYS  51  -7.336  -3.380   1.281
  378   1HE   LYS  51          HE2       LYS  51  -6.259  -1.834   2.926
  379   2HE   LYS  51          HE3       LYS  51  -7.501  -0.608   2.584
  380   1HZ   LYS  51          HZ1       LYS  51  -8.107  -3.347   3.552
  381   2HZ   LYS  51          HZ2       LYS  51  -7.975  -2.066   4.557
  382   3HZ   LYS  51          HZ3       LYS  51  -9.158  -2.092   3.408
  383    H    ILE  52           H        ILE  52  -5.223  -1.740  -2.630
  384    HA   ILE  52           HA       ILE  52  -7.452  -1.327  -4.568
  385    HB   ILE  52           HB       ILE  52  -4.691  -2.379  -5.250
  386   1HG1  ILE  52          HG12      ILE  52  -6.016   0.281  -5.840
  387   2HG1  ILE  52          HG13      ILE  52  -4.500  -0.028  -4.991
  388   1HG2  ILE  52          HG21      ILE  52  -6.503  -3.519  -6.507
  389   2HG2  ILE  52          HG22      ILE  52  -7.140  -1.943  -7.022
  390   3HG2  ILE  52          HG23      ILE  52  -5.545  -2.509  -7.570
  391   1HD1  ILE  52          HD11      ILE  52  -3.928   0.858  -7.109
  392   2HD1  ILE  52          HD12      ILE  52  -3.524  -0.864  -7.168
  393   3HD1  ILE  52          HD13      ILE  52  -4.993  -0.263  -7.970
  394    H    VAL  53           H        VAL  53  -8.752  -3.156  -4.714
  395    HA   VAL  53           HA       VAL  53  -7.857  -5.580  -3.211
  396    HB   VAL  53           HB       VAL  53 -10.591  -4.256  -3.263
  397   1HG1  VAL  53          HG11      VAL  53  -9.697  -6.821  -1.888
  398   2HG1  VAL  53          HG12      VAL  53 -11.251  -5.989  -1.635
  399   3HG1  VAL  53          HG13      VAL  53 -10.877  -6.682  -3.214
  400   1HG2  VAL  53          HG21      VAL  53 -10.244  -3.944  -0.850
  401   2HG2  VAL  53          HG22      VAL  53  -8.641  -4.706  -0.954
  402   3HG2  VAL  53          HG23      VAL  53  -8.942  -3.150  -1.745
  403    H    LYS  54           H        LYS  54  -7.593  -7.220  -4.613
  404    HA   LYS  54           HA       LYS  54  -9.002  -7.302  -7.201
  405   1HB   LYS  54          HB2       LYS  54  -7.615  -9.671  -5.938
  406   2HB   LYS  54          HB3       LYS  54  -7.785  -9.274  -7.638
  407   1HG   LYS  54          HG2       LYS  54  -5.891  -8.026  -5.613
  408   2HG   LYS  54          HG3       LYS  54  -5.463  -9.085  -6.926
  409   1HD   LYS  54          HD2       LYS  54  -6.596  -6.260  -7.239
  410   2HD   LYS  54          HD3       LYS  54  -4.894  -6.673  -7.284
  411   1HE   LYS  54          HE2       LYS  54  -6.987  -7.541  -9.281
  412   2HE   LYS  54          HE3       LYS  54  -5.703  -6.324  -9.471
  413   1HZ   LYS  54          HZ1       LYS  54  -5.237  -9.229  -9.117
  414   2HZ   LYS  54          HZ2       LYS  54  -5.102  -8.409 -10.515
  415   3HZ   LYS  54          HZ3       LYS  54  -4.066  -8.095  -9.294
  416    H    ILE  55           H        ILE  55 -10.937  -8.472  -7.567
  417    HA   ILE  55           HA       ILE  55 -11.688 -10.547  -5.632
  418    HB   ILE  55           HB       ILE  55 -12.651  -8.640  -4.616
  419   1HG1  ILE  55          HG12      ILE  55 -14.893 -10.124  -6.028
  420   2HG1  ILE  55          HG13      ILE  55 -13.883 -10.808  -4.746
  421   1HG2  ILE  55          HG21      ILE  55 -14.255  -7.114  -5.618
  422   2HG2  ILE  55          HG22      ILE  55 -12.753  -7.057  -6.529
  423   3HG2  ILE  55          HG23      ILE  55 -14.142  -7.959  -7.166
  424   1HD1  ILE  55          HD11      ILE  55 -15.707  -8.395  -4.432
  425   2HD1  ILE  55          HD12      ILE  55 -15.967 -10.024  -3.789
  426   3HD1  ILE  55          HD13      ILE  55 -14.622  -9.054  -3.180
  427    H    ASP  56           H        ASP  56 -12.020 -12.302  -6.812
  428    HA   ASP  56           HA       ASP  56 -12.441 -12.179  -9.695
  429   1HB   ASP  56          HB2       ASP  56 -10.963 -13.838  -8.705
  430   2HB   ASP  56          HB3       ASP  56 -12.281 -14.491  -7.734
  431    H    VAL  57           H        VAL  57 -14.477 -11.969 -10.581
  432    HA   VAL  57           HA       VAL  57 -16.796 -11.943  -8.928
  433    HB   VAL  57           HB       VAL  57 -18.075 -11.609 -10.967
  434   1HG1  VAL  57          HG11      VAL  57 -16.797  -9.749  -9.955
  435   2HG1  VAL  57          HG12      VAL  57 -15.466 -10.042 -11.089
  436   3HG1  VAL  57          HG13      VAL  57 -17.062  -9.539 -11.690
  437   1HG2  VAL  57          HG21      VAL  57 -16.986 -13.168 -12.531
  438   2HG2  VAL  57          HG22      VAL  57 -17.035 -11.536 -13.196
  439   3HG2  VAL  57          HG23      VAL  57 -15.520 -12.172 -12.526
  440    H    ASP  58           H        ASP  58 -15.286 -14.644 -10.632
  441    HA   ASP  58           HA       ASP  58 -17.728 -16.212 -10.832
  442   1HB   ASP  58          HB2       ASP  58 -15.762 -16.659 -12.254
  443   2HB   ASP  58          HB3       ASP  58 -14.818 -17.092 -10.822
  444    H    GLU  59           H        GLU  59 -15.349 -15.589  -8.341
  445    HA   GLU  59           HA       GLU  59 -16.394 -17.719  -6.553
  446   1HB   GLU  59          HB2       GLU  59 -14.059 -15.765  -6.421
  447   2HB   GLU  59          HB3       GLU  59 -14.509 -16.796  -5.067
  448   1HG   GLU  59          HG2       GLU  59 -13.756 -17.865  -7.822
  449   2HG   GLU  59          HG3       GLU  59 -12.624 -17.649  -6.496
  450    H    ASN  60           H        ASN  60 -17.165 -14.520  -7.367
  451    HA   ASN  60           HA       ASN  60 -18.309 -13.902  -4.686
  452   1HB   ASN  60          HB2       ASN  60 -16.467 -12.088  -6.298
  453   2HB   ASN  60          HB3       ASN  60 -17.374 -11.618  -4.865
  454   1HD2  ASN  60          HD22      ASN  60 -14.555 -13.319  -5.998
  455   2HD2  ASN  60          HD21      ASN  60 -13.931 -13.754  -4.412
  456    H    GLN  61           H        GLN  61 -19.795 -14.889  -6.651
  457    HA   GLN  61           HA       GLN  61 -20.791 -13.153  -8.617
  458   1HB   GLN  61          HB2       GLN  61 -22.704 -15.085  -7.372
  459   2HB   GLN  61          HB3       GLN  61 -22.347 -14.778  -9.055
  460   1HG   GLN  61          HG2       GLN  61 -21.668 -17.000  -8.680
  461   2HG   GLN  61          HG3       GLN  61 -20.165 -16.086  -8.706
  462   1HE2  GLN  61          HE22      GLN  61 -18.923 -17.487  -7.331
  463   2HE2  GLN  61          HE21      GLN  61 -19.315 -17.693  -5.626
  464    H    GLU  62           H        GLU  62 -21.737 -13.731  -5.237
  465    HA   GLU  62           HA       GLU  62 -24.036 -12.095  -5.130
  466   1HB   GLU  62          HB2       GLU  62 -22.002 -12.951  -3.023
  467   2HB   GLU  62          HB3       GLU  62 -23.508 -12.112  -2.633
  468   1HG   GLU  62          HG2       GLU  62 -23.307 -14.831  -4.006
  469   2HG   GLU  62          HG3       GLU  62 -23.645 -14.567  -2.302
  470    H    THR  63           H        THR  63 -20.543 -11.304  -4.426
  471    HA   THR  63           HA       THR  63 -21.164  -8.681  -3.566
  472    HB   THR  63           HB       THR  63 -18.534  -9.334  -4.800
  473    HG1  THR  63           HG1      THR  63 -19.503 -10.319  -2.326
  474   1HG2  THR  63          HG21      THR  63 -18.728  -7.147  -3.751
  475   2HG2  THR  63          HG22      THR  63 -19.299  -7.883  -2.239
  476   3HG2  THR  63          HG23      THR  63 -17.639  -8.163  -2.798
  477    H    ALA  64           H        ALA  64 -20.102  -9.950  -6.794
  478    HA   ALA  64           HA       ALA  64 -20.042  -7.363  -8.001
  479   1HB   ALA  64          HB1       ALA  64 -19.055  -9.499  -8.940
  480   2HB   ALA  64          HB2       ALA  64 -20.702 -10.037  -9.339
  481   3HB   ALA  64          HB3       ALA  64 -20.017  -8.586 -10.105
  482    H    GLY  65           H        GLY  65 -22.678  -9.809  -7.742
  483   1HA   GLY  65          HA2       GLY  65 -24.752  -8.397  -9.002
  484   2HA   GLY  65          HA3       GLY  65 -24.932  -9.600  -7.711
  485    H    LYS  66           H        LYS  66 -23.340  -7.910  -5.786
  486    HA   LYS  66           HA       LYS  66 -25.387  -6.505  -4.496
  487   1HB   LYS  66          HB2       LYS  66 -22.969  -7.372  -3.766
  488   2HB   LYS  66          HB3       LYS  66 -22.484  -5.726  -4.136
  489   1HG   LYS  66          HG2       LYS  66 -24.091  -4.841  -2.505
  490   2HG   LYS  66          HG3       LYS  66 -24.702  -6.470  -2.177
  491   1HD   LYS  66          HD2       LYS  66 -21.839  -5.539  -1.693
  492   2HD   LYS  66          HD3       LYS  66 -23.099  -5.628  -0.451
  493   1HE   LYS  66          HE2       LYS  66 -23.327  -8.096  -0.880
  494   2HE   LYS  66          HE3       LYS  66 -22.021  -7.995  -2.052
  495   1HZ   LYS  66          HZ1       LYS  66 -21.802  -7.652   0.850
  496   2HZ   LYS  66          HZ2       LYS  66 -21.070  -8.756  -0.138
  497   3HZ   LYS  66          HZ3       LYS  66 -20.605  -7.184  -0.169
  498    H    TYR  67           H        TYR  67 -23.349  -5.459  -7.151
  499    HA   TYR  67           HA       TYR  67 -24.564  -2.740  -7.008
  500   1HB   TYR  67          HB2       TYR  67 -21.896  -3.220  -8.288
  501   2HB   TYR  67          HB3       TYR  67 -22.538  -1.748  -7.581
  502    HD1  TYR  67           HD1      TYR  67 -22.605  -1.599  -4.965
  503    HD2  TYR  67           HD2      TYR  67 -20.615  -4.782  -7.095
  504    HE1  TYR  67           HE1      TYR  67 -21.354  -2.198  -2.911
  505    HE2  TYR  67           HE2      TYR  67 -19.420  -5.420  -5.078
  506    HH   TYR  67           HH       TYR  67 -19.058  -4.953  -2.790
  507    H    GLY  68           H        GLY  68 -25.146  -5.468  -8.487
  508   1HA   GLY  68          HA2       GLY  68 -26.019  -6.098 -10.468
  509   2HA   GLY  68          HA3       GLY  68 -26.097  -4.391 -10.941
  510    H    VAL  69           H        VAL  69 -22.978  -5.823 -10.104
  511    HA   VAL  69           HA       VAL  69 -22.011  -5.472 -12.886
  512    HB   VAL  69           HB       VAL  69 -20.622  -6.048 -10.224
  513   1HG1  VAL  69          HG11      VAL  69 -19.359  -5.569 -12.962
  514   2HG1  VAL  69          HG12      VAL  69 -18.493  -5.651 -11.412
  515   3HG1  VAL  69          HG13      VAL  69 -19.303  -7.085 -12.032
  516   1HG2  VAL  69          HG21      VAL  69 -19.712  -3.780 -10.466
  517   2HG2  VAL  69          HG22      VAL  69 -20.598  -3.559 -11.993
  518   3HG2  VAL  69          HG23      VAL  69 -21.477  -3.718 -10.466
  519    H    MET  70           H        MET  70 -21.637  -7.189 -14.185
  520    HA   MET  70           HA       MET  70 -20.757  -9.678 -13.120
  521   1HB   MET  70          HB2       MET  70 -23.584  -9.544 -13.598
  522   2HB   MET  70          HB3       MET  70 -22.921 -10.544 -14.882
  523   1HG   MET  70          HG2       MET  70 -22.470 -10.886 -11.894
  524   2HG   MET  70          HG3       MET  70 -23.505 -11.889 -12.906
  525   1HE   MET  70          HE1       MET  70 -21.987 -13.750 -11.344
  526   2HE   MET  70          HE2       MET  70 -20.235 -13.954 -11.584
  527   3HE   MET  70          HE3       MET  70 -20.857 -12.481 -10.814
  528    H    SER  71           H        SER  71 -19.747  -7.532 -14.676
  529    HA   SER  71           HA       SER  71 -18.747  -8.989 -16.983
  530   1HB   SER  71          HB2       SER  71 -19.671  -6.079 -17.119
  531   2HB   SER  71          HB3       SER  71 -18.846  -6.976 -18.404
  532    HG   SER  71           HG       SER  71 -21.434  -7.477 -17.325
  533    H    ILE  72           H        ILE  72 -16.567  -8.157 -17.518
  534    HA   ILE  72           HA       ILE  72 -15.247  -6.629 -15.392
  535    HB   ILE  72           HB       ILE  72 -13.658  -8.396 -14.980
  536   1HG1  ILE  72          HG12      ILE  72 -13.752  -9.667 -17.083
  537   2HG1  ILE  72          HG13      ILE  72 -13.729 -10.621 -15.623
  538   1HG2  ILE  72          HG21      ILE  72 -15.557  -8.170 -13.475
  539   2HG2  ILE  72          HG22      ILE  72 -16.452  -9.395 -14.384
  540   3HG2  ILE  72          HG23      ILE  72 -14.954  -9.834 -13.548
  541   1HD1  ILE  72          HD11      ILE  72 -15.180 -11.645 -17.252
  542   2HD1  ILE  72          HD12      ILE  72 -16.152 -11.114 -15.876
  543   3HD1  ILE  72          HD13      ILE  72 -16.160 -10.184 -17.397
  544    HA   PRO  73           HA       PRO  73 -12.724  -6.513 -14.965
  545   1HB   PRO  73          HB2       PRO  73 -11.063  -4.370 -15.427
  546   2HB   PRO  73          HB3       PRO  73 -10.581  -6.074 -15.613
  547   1HG   PRO  73          HG2       PRO  73 -11.388  -4.106 -17.746
  548   2HG   PRO  73          HG3       PRO  73 -10.106  -5.363 -17.802
  549   1HD   PRO  73          HD2       PRO  73 -12.590  -5.677 -18.954
  550   2HD   PRO  73          HD3       PRO  73 -11.633  -7.039 -18.304
  551    H    THR  74           H        THR  74 -13.636  -5.192 -13.459
  552    HA   THR  74           HA       THR  74 -14.886  -2.640 -14.320
  553    HB   THR  74           HB       THR  74 -16.190  -4.913 -12.772
  554    HG1  THR  74           HG1      THR  74 -17.137  -5.237 -14.583
  555   1HG2  THR  74          HG21      THR  74 -17.124  -2.032 -13.153
  556   2HG2  THR  74          HG22      THR  74 -18.177  -3.365 -12.645
  557   3HG2  THR  74          HG23      THR  74 -16.823  -2.875 -11.619
  558    H    LEU  75           H        LEU  75 -14.546  -1.040 -12.903
  559    HA   LEU  75           HA       LEU  75 -12.807  -1.604 -10.545
  560   1HB   LEU  75          HB2       LEU  75 -12.726   0.709 -12.520
  561   2HB   LEU  75          HB3       LEU  75 -11.780   0.584 -11.046
  562    HG   LEU  75           HG       LEU  75 -11.548  -1.207 -13.499
  563   1HD1  LEU  75          HD11      LEU  75 -10.657   1.057 -13.786
  564   2HD1  LEU  75          HD12      LEU  75  -9.684   0.892 -12.304
  565   3HD1  LEU  75          HD13      LEU  75  -9.339  -0.119 -13.721
  566   1HD2  LEU  75          HD21      LEU  75  -9.519  -2.136 -12.373
  567   2HD2  LEU  75          HD22      LEU  75  -9.992  -1.299 -10.874
  568   3HD2  LEU  75          HD23      LEU  75 -11.023  -2.570 -11.578
  569    H    LEU  76           H        LEU  76 -14.195  -1.352  -8.866
  570    HA   LEU  76           HA       LEU  76 -16.124   0.939  -8.881
  571   1HB   LEU  76          HB2       LEU  76 -15.789  -1.519  -7.180
  572   2HB   LEU  76          HB3       LEU  76 -16.328  -0.033  -6.397
  573    HG   LEU  76           HG       LEU  76 -18.181   0.195  -7.965
  574   1HD1  LEU  76          HD11      LEU  76 -17.366  -2.552  -9.022
  575   2HD1  LEU  76          HD12      LEU  76 -18.852  -1.663  -9.436
  576   3HD1  LEU  76          HD13      LEU  76 -17.281  -1.023  -9.925
  577   1HD2  LEU  76          HD21      LEU  76 -19.567  -1.565  -7.039
  578   2HD2  LEU  76          HD22      LEU  76 -18.139  -2.522  -6.595
  579   3HD2  LEU  76          HD23      LEU  76 -18.463  -0.970  -5.796
  580    H    VAL  77           H        VAL  77 -15.803   2.665  -7.483
  581    HA   VAL  77           HA       VAL  77 -13.178   2.783  -6.057
  582    HB   VAL  77           HB       VAL  77 -14.828   5.149  -7.009
  583   1HG1  VAL  77          HG11      VAL  77 -13.369   5.577  -5.056
  584   2HG1  VAL  77          HG12      VAL  77 -11.969   4.958  -5.959
  585   3HG1  VAL  77          HG13      VAL  77 -12.792   6.444  -6.482
  586   1HG2  VAL  77          HG21      VAL  77 -12.319   4.040  -8.331
  587   2HG2  VAL  77          HG22      VAL  77 -13.951   4.052  -9.038
  588   3HG2  VAL  77          HG23      VAL  77 -13.117   5.574  -8.722
  589    H    LEU  78           H        LEU  78 -13.480   2.800  -3.908
  590    HA   LEU  78           HA       LEU  78 -16.132   3.488  -2.771
  591   1HB   LEU  78          HB2       LEU  78 -14.302   1.240  -1.816
  592   2HB   LEU  78          HB3       LEU  78 -15.833   1.726  -1.123
  593    HG   LEU  78           HG       LEU  78 -16.634   1.153  -3.701
  594   1HD1  LEU  78          HD11      LEU  78 -14.416  -0.825  -3.044
  595   2HD1  LEU  78          HD12      LEU  78 -15.608  -0.994  -4.345
  596   3HD1  LEU  78          HD13      LEU  78 -14.425   0.323  -4.391
  597   1HD2  LEU  78          HD21      LEU  78 -17.516  -0.955  -2.817
  598   2HD2  LEU  78          HD22      LEU  78 -16.440  -0.836  -1.408
  599   3HD2  LEU  78          HD23      LEU  78 -17.727   0.355  -1.651
  600    H    LYS  79           H        LYS  79 -15.948   4.260  -0.544
  601    HA   LYS  79           HA       LYS  79 -13.246   4.917   0.403
  602   1HB   LYS  79          HB2       LYS  79 -13.988   6.850  -1.011
  603   2HB   LYS  79          HB3       LYS  79 -15.386   7.067   0.055
  604   1HG   LYS  79          HG2       LYS  79 -13.882   7.524   1.968
  605   2HG   LYS  79          HG3       LYS  79 -12.471   7.155   0.962
  606   1HD   LYS  79          HD2       LYS  79 -13.241   9.042  -0.595
  607   2HD   LYS  79          HD3       LYS  79 -14.410   9.491   0.661
  608   1HE   LYS  79          HE2       LYS  79 -12.551   9.865   2.266
  609   2HE   LYS  79          HE3       LYS  79 -11.391   9.285   1.061
  610   1HZ   LYS  79          HZ1       LYS  79 -12.941  11.788   0.943
  611   2HZ   LYS  79          HZ2       LYS  79 -11.298  11.593   0.872
  612   3HZ   LYS  79          HZ3       LYS  79 -12.198  11.138  -0.379
  613    H    ASP  80           H        ASP  80 -13.190   4.396   2.508
  614    HA   ASP  80           HA       ASP  80 -13.851   3.666   4.518
  615   1HB   ASP  80          HB2       ASP  80 -13.709   6.122   4.686
  616   2HB   ASP  80          HB3       ASP  80 -15.445   6.245   4.399
  617    H    GLY  81           H        GLY  81 -15.379   2.306   2.586
  618   1HA   GLY  81          HA2       GLY  81 -16.744   0.528   3.091
  619   2HA   GLY  81          HA3       GLY  81 -17.556   1.439   4.362
  620    H    GLU  82           H        GLU  82 -17.498   3.350   1.498
  621    HA   GLU  82           HA       GLU  82 -20.072   2.180   0.518
  622   1HB   GLU  82          HB2       GLU  82 -19.376   5.112   0.993
  623   2HB   GLU  82          HB3       GLU  82 -20.779   4.562   0.087
  624   1HG   GLU  82          HG2       GLU  82 -20.219   4.047   3.028
  625   2HG   GLU  82          HG3       GLU  82 -21.371   5.202   2.361
  626    H    VAL  83           H        VAL  83 -20.333   2.226  -1.673
  627    HA   VAL  83           HA       VAL  83 -18.023   2.748  -3.406
  628    HB   VAL  83           HB       VAL  83 -19.426   0.847  -3.864
  629   1HG1  VAL  83          HG11      VAL  83 -21.727   0.997  -4.673
  630   2HG1  VAL  83          HG12      VAL  83 -21.615   1.555  -3.005
  631   3HG1  VAL  83          HG13      VAL  83 -21.763   2.737  -4.326
  632   1HG2  VAL  83          HG21      VAL  83 -18.331   1.959  -5.755
  633   2HG2  VAL  83          HG22      VAL  83 -19.854   1.201  -6.234
  634   3HG2  VAL  83          HG23      VAL  83 -19.777   2.958  -6.025
  635    H    VAL  84           H        VAL  84 -17.665   4.460  -4.577
  636    HA   VAL  84           HA       VAL  84 -19.570   6.736  -4.458
  637    HB   VAL  84           HB       VAL  84 -17.718   8.269  -4.239
  638   1HG1  VAL  84          HG11      VAL  84 -18.784   7.365  -2.170
  639   2HG1  VAL  84          HG12      VAL  84 -17.492   6.154  -2.055
  640   3HG1  VAL  84          HG13      VAL  84 -17.106   7.878  -1.928
  641   1HG2  VAL  84          HG21      VAL  84 -15.915   6.991  -5.356
  642   2HG2  VAL  84          HG22      VAL  84 -15.421   7.583  -3.767
  643   3HG2  VAL  84          HG23      VAL  84 -15.850   5.878  -3.963
  644    H    GLU  85           H        GLU  85 -17.520   4.648  -6.434
  645    HA   GLU  85           HA       GLU  85 -18.744   5.918  -8.755
  646   1HB   GLU  85          HB2       GLU  85 -16.054   6.709  -8.006
  647   2HB   GLU  85          HB3       GLU  85 -15.958   5.798  -9.504
  648   1HG   GLU  85          HG2       GLU  85 -17.801   8.180  -9.031
  649   2HG   GLU  85          HG3       GLU  85 -16.204   8.274  -9.745
  650    H    THR  86           H        THR  86 -18.143   4.762 -10.817
  651    HA   THR  86           HA       THR  86 -17.047   2.048 -10.534
  652    HB   THR  86           HB       THR  86 -19.903   2.668 -11.405
  653    HG1  THR  86           HG1      THR  86 -18.960   2.183  -9.095
  654   1HG2  THR  86          HG21      THR  86 -18.357   0.051 -11.609
  655   2HG2  THR  86          HG22      THR  86 -20.131   0.165 -11.672
  656   3HG2  THR  86          HG23      THR  86 -19.150   0.950 -12.914
  657    H    SER  87           H        SER  87 -16.058   1.410 -12.408
  658    HA   SER  87           HA       SER  87 -16.560   2.783 -14.981
  659   1HB   SER  87          HB2       SER  87 -13.799   2.412 -13.727
  660   2HB   SER  87          HB3       SER  87 -14.150   3.126 -15.307
  661    HG   SER  87           HG       SER  87 -15.282   4.803 -14.180
  662    H    VAL  88           H        VAL  88 -15.729   1.442 -16.802
  663    HA   VAL  88           HA       VAL  88 -15.208  -1.401 -16.100
  664    HB   VAL  88           HB       VAL  88 -17.241  -0.418 -18.148
  665   1HG1  VAL  88          HG11      VAL  88 -16.579  -3.235 -17.179
  666   2HG1  VAL  88          HG12      VAL  88 -17.934  -2.811 -18.247
  667   3HG1  VAL  88          HG13      VAL  88 -16.282  -2.579 -18.807
  668   1HG2  VAL  88          HG21      VAL  88 -17.729  -1.689 -15.422
  669   2HG2  VAL  88          HG22      VAL  88 -18.177  -0.038 -15.913
  670   3HG2  VAL  88          HG23      VAL  88 -18.972  -1.417 -16.661
  671    H    GLY  89           H        GLY  89 -13.935  -2.489 -17.624
  672   1HA   GLY  89          HA2       GLY  89 -12.857  -2.853 -19.643
  673   2HA   GLY  89          HA3       GLY  89 -13.231  -1.213 -20.177
  674    H    PHE  90           H        PHE  90 -10.798  -2.026 -20.767
  675    HA   PHE  90           HA       PHE  90  -8.742  -1.556 -18.814
  676   1HB   PHE  90          HB2       PHE  90  -8.410  -2.854 -20.894
  677   2HB   PHE  90          HB3       PHE  90  -8.724  -1.418 -21.859
  678    HD1  PHE  90           HD1      PHE  90  -7.084   0.494 -21.868
  679    HD2  PHE  90           HD2      PHE  90  -6.241  -3.254 -19.896
  680    HE1  PHE  90           HE1      PHE  90  -4.675   1.071 -21.798
  681    HE2  PHE  90           HE2      PHE  90  -3.824  -2.673 -19.853
  682    HZ   PHE  90           HZ       PHE  90  -3.040  -0.516 -20.798
  683    H    LYS  91           H        LYS  91  -7.845   0.323 -18.130
  684    HA   LYS  91           HA       LYS  91  -8.424   2.888 -19.484
  685   1HB   LYS  91          HB2       LYS  91  -9.297   2.014 -16.751
  686   2HB   LYS  91          HB3       LYS  91  -8.391   3.513 -16.771
  687   1HG   LYS  91          HG2       LYS  91 -10.722   3.983 -16.809
  688   2HG   LYS  91          HG3       LYS  91  -9.953   4.555 -18.295
  689   1HD   LYS  91          HD2       LYS  91 -10.932   2.779 -19.579
  690   2HD   LYS  91          HD3       LYS  91 -11.508   1.940 -18.114
  691   1HE   LYS  91          HE2       LYS  91 -13.024   3.829 -17.640
  692   2HE   LYS  91          HE3       LYS  91 -12.394   4.712 -19.036
  693   1HZ   LYS  91          HZ1       LYS  91 -14.478   3.599 -19.550
  694   2HZ   LYS  91          HZ2       LYS  91 -13.286   2.976 -20.468
  695   3HZ   LYS  91          HZ3       LYS  91 -13.854   2.130 -19.183
  696    HA   PRO  92           HA       PRO  92  -4.035   3.039 -18.601
  697   1HB   PRO  92          HB2       PRO  92  -3.443   5.658 -19.077
  698   2HB   PRO  92          HB3       PRO  92  -3.925   4.530 -20.382
  699   1HG   PRO  92          HG2       PRO  92  -5.671   6.518 -18.905
  700   2HG   PRO  92          HG3       PRO  92  -5.553   6.252 -20.672
  701   1HD   PRO  92          HD2       PRO  92  -7.515   5.108 -19.132
  702   2HD   PRO  92          HD3       PRO  92  -6.821   4.277 -20.557
  703    H    LYS  93           H        LYS  93  -2.504   3.849 -17.000
  704    HA   LYS  93           HA       LYS  93  -3.580   4.060 -14.410
  705   1HB   LYS  93          HB2       LYS  93  -1.359   3.164 -14.977
  706   2HB   LYS  93          HB3       LYS  93  -0.812   4.743 -15.502
  707   1HG   LYS  93          HG2       LYS  93  -1.797   4.831 -12.711
  708   2HG   LYS  93          HG3       LYS  93  -0.635   3.540 -12.945
  709   1HD   LYS  93          HD2       LYS  93   0.593   5.478 -12.270
  710   2HD   LYS  93          HD3       LYS  93   0.966   5.140 -13.974
  711   1HE   LYS  93          HE2       LYS  93  -0.616   6.897 -14.686
  712   2HE   LYS  93          HE3       LYS  93  -1.064   7.203 -13.001
  713   1HZ   LYS  93          HZ1       LYS  93   0.494   8.806 -13.891
  714   2HZ   LYS  93          HZ2       LYS  93   1.174   8.015 -12.608
  715   3HZ   LYS  93          HZ3       LYS  93   1.632   7.651 -14.149
  716    H    GLU  94           H        GLU  94  -2.548   6.680 -16.682
  717    HA   GLU  94           HA       GLU  94  -2.501   8.683 -14.715
  718   1HB   GLU  94          HB2       GLU  94  -1.501   8.567 -17.118
  719   2HB   GLU  94          HB3       GLU  94  -3.101   9.074 -17.660
  720   1HG   GLU  94          HG2       GLU  94  -1.916  11.046 -17.501
  721   2HG   GLU  94          HG3       GLU  94  -2.844  11.034 -16.001
  722    H    ALA  95           H        ALA  95  -5.172   7.406 -16.706
  723    HA   ALA  95           HA       ALA  95  -7.089   9.418 -15.937
  724   1HB   ALA  95          HB1       ALA  95  -7.446   6.551 -16.911
  725   2HB   ALA  95          HB2       ALA  95  -8.724   7.777 -16.812
  726   3HB   ALA  95          HB3       ALA  95  -7.377   8.003 -17.951
  727    H    LEU  96           H        LEU  96  -6.195   6.133 -14.756
  728    HA   LEU  96           HA       LEU  96  -8.265   6.036 -12.801
  729   1HB   LEU  96          HB2       LEU  96  -5.601   4.563 -12.861
  730   2HB   LEU  96          HB3       LEU  96  -6.950   4.221 -11.771
  731    HG   LEU  96           HG       LEU  96  -7.019   3.933 -14.799
  732   1HD1  LEU  96          HD11      LEU  96  -5.656   2.220 -13.640
  733   2HD1  LEU  96          HD12      LEU  96  -7.051   1.823 -12.607
  734   3HD1  LEU  96          HD13      LEU  96  -7.119   1.536 -14.360
  735   1HD2  LEU  96          HD21      LEU  96  -9.212   2.812 -14.402
  736   2HD2  LEU  96          HD22      LEU  96  -9.161   3.357 -12.713
  737   3HD2  LEU  96          HD23      LEU  96  -9.251   4.532 -14.047
  738    H    GLN  97           H        GLN  97  -4.845   7.180 -12.571
  739    HA   GLN  97           HA       GLN  97  -5.135   7.690  -9.757
  740   1HB   GLN  97          HB2       GLN  97  -3.056   8.827  -9.779
  741   2HB   GLN  97          HB3       GLN  97  -2.934   7.412 -10.809
  742   1HG   GLN  97          HG2       GLN  97  -1.804   9.025 -12.024
  743   2HG   GLN  97          HG3       GLN  97  -3.399   8.973 -12.761
  744   1HE2  GLN  97          HE22      GLN  97  -4.063  10.979 -13.383
  745   2HE2  GLN  97          HE21      GLN  97  -3.697  12.469 -12.528
  746    H    GLU  98           H        GLU  98  -5.979   9.554 -12.670
  747    HA   GLU  98           HA       GLU  98  -6.408  12.025 -11.303
  748   1HB   GLU  98          HB2       GLU  98  -6.186  11.935 -13.726
  749   2HB   GLU  98          HB3       GLU  98  -7.637  10.939 -13.873
  750   1HG   GLU  98          HG2       GLU  98  -9.028  12.753 -13.007
  751   2HG   GLU  98          HG3       GLU  98  -7.598  13.744 -12.697
  752    H    LEU  99           H        LEU  99  -8.509   9.252 -12.152
  753    HA   LEU  99           HA       LEU  99 -10.892  10.202 -10.950
  754   1HB   LEU  99          HB2       LEU  99 -10.804   8.301 -12.495
  755   2HB   LEU  99          HB3       LEU  99  -9.865   7.362 -11.337
  756    HG   LEU  99           HG       LEU  99 -11.766   7.307  -9.771
  757   1HD1  LEU  99          HD11      LEU  99 -14.018   8.043 -10.536
  758   2HD1  LEU  99          HD12      LEU  99 -12.926   9.404 -10.298
  759   3HD1  LEU  99          HD13      LEU  99 -13.275   8.829 -11.946
  760   1HD2  LEU  99          HD21      LEU  99 -13.215   5.824 -11.138
  761   2HD2  LEU  99          HD22      LEU  99 -12.448   6.436 -12.613
  762   3HD2  LEU  99          HD23      LEU  99 -11.496   5.518 -11.428
  763    H    VAL 100           H        VAL 100  -8.198   8.281  -9.517
  764    HA   VAL 100           HA       VAL 100  -9.342   8.030  -6.930
  765    HB   VAL 100           HB       VAL 100  -6.493   8.010  -7.979
  766   1HG1  VAL 100          HG11      VAL 100  -5.743   7.102  -5.819
  767   2HG1  VAL 100          HG12      VAL 100  -6.305   8.749  -5.642
  768   3HG1  VAL 100          HG13      VAL 100  -7.351   7.410  -5.116
  769   1HG2  VAL 100          HG21      VAL 100  -8.077   6.115  -8.568
  770   2HG2  VAL 100          HG22      VAL 100  -6.665   5.608  -7.645
  771   3HG2  VAL 100          HG23      VAL 100  -8.251   5.786  -6.849
  772    H    ASN 101           H        ASN 101  -7.091  10.560  -8.246
  773    HA   ASN 101           HA       ASN 101  -6.989  11.923  -5.774
  774   1HB   ASN 101          HB2       ASN 101  -5.454  13.180  -6.697
  775   2HB   ASN 101          HB3       ASN 101  -5.595  12.170  -8.118
  776   1HD2  ASN 101          HD22      ASN 101  -7.257  12.962  -9.812
  777   2HD2  ASN 101          HD21      ASN 101  -7.274  14.691 -10.070
  778    H    LYS 102           H        LYS 102  -9.398  12.116  -8.316
  779    HA   LYS 102           HA       LYS 102 -10.747  14.446  -7.292
  780   1HB   LYS 102          HB2       LYS 102 -11.690  12.101  -8.987
  781   2HB   LYS 102          HB3       LYS 102 -12.734  13.452  -8.545
  782   1HG   LYS 102          HG2       LYS 102 -11.310  15.053  -9.679
  783   2HG   LYS 102          HG3       LYS 102 -10.072  13.838  -9.977
  784   1HD   LYS 102          HD2       LYS 102 -11.289  14.234 -12.015
  785   2HD   LYS 102          HD3       LYS 102 -11.618  12.588 -11.454
  786   1HE   LYS 102          HE2       LYS 102 -13.793  13.333 -10.516
  787   2HE   LYS 102          HE3       LYS 102 -13.443  14.998 -10.997
  788   1HZ   LYS 102          HZ1       LYS 102 -13.797  12.726 -12.869
  789   2HZ   LYS 102          HZ2       LYS 102 -14.886  13.902 -12.584
  790   3HZ   LYS 102          HZ3       LYS 102 -13.477  14.269 -13.310
  791    H    HIS 103           H        HIS 103 -10.580  11.182  -5.993
  792    HA   HIS 103           HA       HIS 103 -12.885  11.788  -4.197
  793   1HB   HIS 103          HB2       HIS 103 -11.728   9.160  -5.177
  794   2HB   HIS 103          HB3       HIS 103 -12.877   9.279  -3.849
  795    HD1  HIS 103           HD1      HIS 103 -15.328  10.562  -4.574
  796    HD2  HIS 103           HD2      HIS 103 -12.830   8.949  -7.549
  797    HE1  HIS 103           HE1      HIS 103 -16.772  10.284  -6.652
  798    H    LEU 104           H        LEU 104  -9.436  11.567  -4.138
  799    HA   LEU 104           HA       LEU 104  -8.984  10.620  -1.512
  800   1HB   LEU 104          HB2       LEU 104  -7.585  12.837  -3.053
  801   2HB   LEU 104          HB3       LEU 104  -7.038  12.241  -1.496
  802    HG   LEU 104           HG       LEU 104  -7.214  10.555  -4.019
  803   1HD1  LEU 104          HD11      LEU 104  -5.463  12.325  -4.088
  804   2HD1  LEU 104          HD12      LEU 104  -4.786  11.690  -2.581
  805   3HD1  LEU 104          HD13      LEU 104  -4.785  10.692  -4.057
  806   1HD2  LEU 104          HD21      LEU 104  -7.476   9.112  -2.075
  807   2HD2  LEU 104          HD22      LEU 104  -5.866   8.902  -2.748
  808   3HD2  LEU 104          HD23      LEU 104  -6.083   9.874  -1.274
  Start of MODEL   15
    1   1H    MET   1          H1        MET   1   0.972  -0.080  -2.439
    2   2H    MET   1          H2        MET   1   2.253   0.952  -2.367
    3   3H    MET   1          H3        MET   1   2.216  -0.283  -3.467
    4    HA   MET   1           HA       MET   1   3.708  -0.699  -1.600
    5   1HB   MET   1          HB2       MET   1   2.225   0.420   0.075
    6   2HB   MET   1          HB3       MET   1   1.132  -0.961   0.016
    7   1HG   MET   1          HG2       MET   1   4.089  -1.112   0.748
    8   2HG   MET   1          HG3       MET   1   2.792  -0.895   1.916
    9   1HE   MET   1          HE1       MET   1   3.739  -2.883   3.347
   10   2HE   MET   1          HE2       MET   1   4.053  -4.507   2.696
   11   3HE   MET   1          HE3       MET   1   5.034  -3.128   2.150
   12    H    ALA   2           H        ALA   2   0.481  -2.415  -1.519
   13    HA   ALA   2           HA       ALA   2   1.346  -4.296  -3.508
   14   1HB   ALA   2          HB1       ALA   2   0.846  -5.285  -0.647
   15   2HB   ALA   2          HB2       ALA   2   0.989  -6.312  -2.088
   16   3HB   ALA   2          HB3       ALA   2   2.393  -5.388  -1.522
   17    H    ILE   3           H        ILE   3  -0.446  -5.252  -4.417
   18    HA   ILE   3           HA       ILE   3  -3.030  -4.037  -3.846
   19    HB   ILE   3           HB       ILE   3  -2.051  -6.117  -5.852
   20   1HG1  ILE   3          HG12      ILE   3  -2.760  -3.156  -6.148
   21   2HG1  ILE   3          HG13      ILE   3  -1.125  -3.788  -6.067
   22   1HG2  ILE   3          HG21      ILE   3  -4.214  -5.742  -7.051
   23   2HG2  ILE   3          HG22      ILE   3  -4.441  -6.500  -5.487
   24   3HG2  ILE   3          HG23      ILE   3  -4.785  -4.771  -5.674
   25   1HD1  ILE   3          HD11      ILE   3  -1.577  -3.352  -8.322
   26   2HD1  ILE   3          HD12      ILE   3  -1.540  -5.116  -8.121
   27   3HD1  ILE   3          HD13      ILE   3  -3.102  -4.251  -8.296
   28    H    VAL   4           H        VAL   4  -4.872  -5.148  -3.094
   29    HA   VAL   4           HA       VAL   4  -4.228  -7.457  -1.323
   30    HB   VAL   4           HB       VAL   4  -6.366  -5.308  -1.092
   31   1HG1  VAL   4          HG11      VAL   4  -5.494  -7.442   0.898
   32   2HG1  VAL   4          HG12      VAL   4  -6.537  -6.063   1.291
   33   3HG1  VAL   4          HG13      VAL   4  -7.104  -7.260   0.146
   34   1HG2  VAL   4          HG21      VAL   4  -4.975  -4.427   0.807
   35   2HG2  VAL   4          HG22      VAL   4  -3.687  -5.556   0.343
   36   3HG2  VAL   4          HG23      VAL   4  -4.188  -4.252  -0.755
   37    H    LYS   5           H        LYS   5  -6.284  -8.855  -0.973
   38    HA   LYS   5           HA       LYS   5  -7.916  -9.153  -3.425
   39   1HB   LYS   5          HB2       LYS   5  -6.321 -11.452  -2.166
   40   2HB   LYS   5          HB3       LYS   5  -7.484 -11.558  -3.483
   41   1HG   LYS   5          HG2       LYS   5  -5.570 -11.585  -4.716
   42   2HG   LYS   5          HG3       LYS   5  -5.855  -9.849  -4.689
   43   1HD   LYS   5          HD2       LYS   5  -4.236  -9.768  -2.667
   44   2HD   LYS   5          HD3       LYS   5  -3.859 -11.452  -3.041
   45   1HE   LYS   5          HE2       LYS   5  -3.115 -10.829  -5.288
   46   2HE   LYS   5          HE3       LYS   5  -3.668  -9.163  -5.052
   47   1HZ   LYS   5          HZ1       LYS   5  -1.978  -8.832  -3.410
   48   2HZ   LYS   5          HZ2       LYS   5  -1.509 -10.413  -3.452
   49   3HZ   LYS   5          HZ3       LYS   5  -1.257  -9.448  -4.739
   50    H    ALA   6           H        ALA   6 -10.005  -9.703  -2.829
   51    HA   ALA   6           HA       ALA   6 -10.469 -10.790  -0.119
   52   1HB   ALA   6          HB1       ALA   6 -10.531  -8.288   0.084
   53   2HB   ALA   6          HB2       ALA   6 -11.832  -8.259  -1.126
   54   3HB   ALA   6          HB3       ALA   6 -12.086  -9.054   0.442
   55    H    THR   7           H        THR   7 -12.932 -11.207   0.166
   56    HA   THR   7           HA       THR   7 -14.242 -11.962  -2.352
   57    HB   THR   7           HB       THR   7 -14.801 -14.175  -1.371
   58    HG1  THR   7           HG1      THR   7 -14.541 -14.359   0.620
   59   1HG2  THR   7          HG21      THR   7 -11.778 -13.847  -1.374
   60   2HG2  THR   7          HG22      THR   7 -12.720 -15.318  -1.684
   61   3HG2  THR   7          HG23      THR   7 -12.772 -13.974  -2.843
   62    H    ASP   8           H        ASP   8 -16.653 -12.561  -1.700
   63    HA   ASP   8           HA       ASP   8 -17.908 -10.365  -0.658
   64   1HB   ASP   8          HB2       ASP   8 -18.956 -12.393  -1.850
   65   2HB   ASP   8          HB3       ASP   8 -19.002 -13.183  -0.286
   66    H    GLN   9           H        GLN   9 -16.650 -13.060   1.147
   67    HA   GLN   9           HA       GLN   9 -17.936 -12.726   3.639
   68   1HB   GLN   9          HB2       GLN   9 -15.258 -13.972   2.874
   69   2HB   GLN   9          HB3       GLN   9 -16.045 -14.158   4.440
   70   1HG   GLN   9          HG2       GLN   9 -16.578 -16.140   3.271
   71   2HG   GLN   9          HG3       GLN   9 -18.048 -15.178   3.272
   72   1HE2  GLN   9          HE22      GLN   9 -18.861 -16.399   1.370
   73   2HE2  GLN   9          HE21      GLN   9 -18.186 -16.109  -0.212
   74    H    SER  10           H        SER  10 -15.060 -11.108   2.296
   75    HA   SER  10           HA       SER  10 -14.813  -9.547   4.843
   76   1HB   SER  10          HB2       SER  10 -12.485 -10.717   3.272
   77   2HB   SER  10          HB3       SER  10 -12.410  -9.850   4.813
   78    HG   SER  10           HG       SER  10 -12.287 -12.125   5.076
   79    H    PHE  11           H        PHE  11 -15.111  -9.317   1.474
   80    HA   PHE  11           HA       PHE  11 -13.499  -7.133   0.784
   81   1HB   PHE  11          HB2       PHE  11 -14.784  -8.497  -0.785
   82   2HB   PHE  11          HB3       PHE  11 -16.302  -7.937  -0.098
   83    HD1  PHE  11           HD1      PHE  11 -17.229  -5.750  -0.694
   84    HD2  PHE  11           HD2      PHE  11 -13.392  -7.022  -2.206
   85    HE1  PHE  11           HE1      PHE  11 -17.292  -3.952  -2.400
   86    HE2  PHE  11           HE2      PHE  11 -13.467  -5.238  -3.906
   87    HZ   PHE  11           HZ       PHE  11 -15.439  -3.702  -4.019
   88    H    SER  12           H        SER  12 -16.551  -7.201   2.647
   89    HA   SER  12           HA       SER  12 -17.098  -4.416   2.507
   90   1HB   SER  12          HB2       SER  12 -18.423  -5.072   4.668
   91   2HB   SER  12          HB3       SER  12 -18.891  -5.808   3.125
   92    HG   SER  12           HG       SER  12 -18.702  -7.359   4.806
   93    H    ALA  13           H        ALA  13 -15.371  -6.408   4.914
   94    HA   ALA  13           HA       ALA  13 -14.686  -4.264   6.651
   95   1HB   ALA  13          HB1       ALA  13 -13.196  -6.884   6.148
   96   2HB   ALA  13          HB2       ALA  13 -12.969  -5.801   7.533
   97   3HB   ALA  13          HB3       ALA  13 -14.517  -6.639   7.316
   98    H    GLU  14           H        GLU  14 -12.970  -5.726   3.844
   99    HA   GLU  14           HA       GLU  14 -10.636  -4.143   4.120
  100   1HB   GLU  14          HB2       GLU  14 -11.847  -5.624   1.754
  101   2HB   GLU  14          HB3       GLU  14 -10.315  -4.768   1.625
  102   1HG   GLU  14          HG2       GLU  14 -10.918  -6.979   3.619
  103   2HG   GLU  14          HG3       GLU  14 -10.042  -7.187   2.099
  104    H    THR  15           H        THR  15 -13.676  -3.491   2.315
  105    HA   THR  15           HA       THR  15 -12.553  -1.124   1.128
  106    HB   THR  15           HB       THR  15 -14.927  -0.779   0.339
  107    HG1  THR  15           HG1      THR  15 -15.242  -3.440   1.249
  108   1HG2  THR  15          HG21      THR  15 -13.425  -3.362  -0.324
  109   2HG2  THR  15          HG22      THR  15 -14.758  -2.676  -1.276
  110   3HG2  THR  15          HG23      THR  15 -13.251  -1.778  -1.095
  111    H    SER  16           H        SER  16 -13.284  -1.612   4.283
  112    HA   SER  16           HA       SER  16 -14.588   1.028   4.667
  113   1HB   SER  16          HB2       SER  16 -14.647  -1.450   6.427
  114   2HB   SER  16          HB3       SER  16 -15.459   0.091   6.765
  115    HG   SER  16           HG       SER  16 -16.004  -1.837   4.797
  116    H    GLU  17           H        GLU  17 -11.737   0.771   4.275
  117    HA   GLU  17           HA       GLU  17 -10.860   1.886   6.909
  118   1HB   GLU  17          HB2       GLU  17  -9.257   0.089   5.046
  119   2HB   GLU  17          HB3       GLU  17  -8.651   0.838   6.528
  120   1HG   GLU  17          HG2       GLU  17 -10.423  -0.409   7.818
  121   2HG   GLU  17          HG3       GLU  17 -10.798  -1.298   6.333
  122    H    GLY  18           H        GLY  18 -11.396   2.790   3.724
  123   1HA   GLY  18          HA2       GLY  18 -10.042   5.217   3.774
  124   2HA   GLY  18          HA3       GLY  18  -8.881   4.015   3.131
  125    H    VAL  19           H        VAL  19  -9.082   5.485   1.194
  126    HA   VAL  19           HA       VAL  19 -11.439   5.039  -0.516
  127    HB   VAL  19           HB       VAL  19  -8.653   6.127  -1.144
  128   1HG1  VAL  19          HG11      VAL  19 -11.196   6.118  -2.847
  129   2HG1  VAL  19          HG12      VAL  19  -9.673   6.937  -3.261
  130   3HG1  VAL  19          HG13      VAL  19  -9.731   5.175  -3.177
  131   1HG2  VAL  19          HG21      VAL  19  -9.939   7.640   0.339
  132   2HG2  VAL  19          HG22      VAL  19  -9.775   8.312  -1.286
  133   3HG2  VAL  19          HG23      VAL  19 -11.305   7.577  -0.809
  134    H    VAL  20           H        VAL  20 -11.607   3.241  -1.853
  135    HA   VAL  20           HA       VAL  20  -9.285   1.420  -2.039
  136    HB   VAL  20           HB       VAL  20 -12.083   0.536  -1.222
  137   1HG1  VAL  20          HG11      VAL  20 -10.907  -1.646  -0.846
  138   2HG1  VAL  20          HG12      VAL  20 -10.930  -1.154  -2.543
  139   3HG1  VAL  20          HG13      VAL  20  -9.450  -0.947  -1.586
  140   1HG2  VAL  20          HG21      VAL  20 -11.296   1.476   0.763
  141   2HG2  VAL  20          HG22      VAL  20 -10.716  -0.180   0.923
  142   3HG2  VAL  20          HG23      VAL  20  -9.599   1.079   0.434
  143    H    LEU  21           H        LEU  21  -8.930   1.007  -4.116
  144    HA   LEU  21           HA       LEU  21 -11.099   1.322  -6.120
  145   1HB   LEU  21          HB2       LEU  21  -8.904   2.363  -6.605
  146   2HB   LEU  21          HB3       LEU  21  -8.102   0.796  -6.406
  147    HG   LEU  21           HG       LEU  21  -9.404  -0.069  -8.379
  148   1HD1  LEU  21          HD11      LEU  21 -11.380   1.352  -8.371
  149   2HD1  LEU  21          HD12      LEU  21 -10.383   2.823  -8.508
  150   3HD1  LEU  21          HD13      LEU  21 -10.482   1.683  -9.857
  151   1HD2  LEU  21          HD21      LEU  21  -7.822   2.487  -8.899
  152   2HD2  LEU  21          HD22      LEU  21  -7.131   0.870  -8.639
  153   3HD2  LEU  21          HD23      LEU  21  -8.128   1.183 -10.068
  154    H    ALA  22           H        ALA  22 -12.366  -0.486  -5.902
  155    HA   ALA  22           HA       ALA  22 -11.146  -3.165  -5.593
  156   1HB   ALA  22          HB1       ALA  22 -14.012  -2.225  -6.016
  157   2HB   ALA  22          HB2       ALA  22 -13.508  -3.917  -5.821
  158   3HB   ALA  22          HB3       ALA  22 -13.278  -2.762  -4.483
  159    H    ASP  23           H        ASP  23 -11.124  -4.656  -7.248
  160    HA   ASP  23           HA       ASP  23 -11.886  -3.799  -9.996
  161   1HB   ASP  23          HB2       ASP  23  -9.498  -3.488  -9.880
  162   2HB   ASP  23          HB3       ASP  23  -9.282  -5.062  -9.118
  163    H    PHE  24           H        PHE  24 -13.614  -4.955 -10.191
  164    HA   PHE  24           HA       PHE  24 -13.921  -7.722  -9.301
  165   1HB   PHE  24          HB2       PHE  24 -15.676  -5.800 -10.884
  166   2HB   PHE  24          HB3       PHE  24 -16.100  -7.465 -10.558
  167    HD1  PHE  24           HD1      PHE  24 -17.116  -8.098  -8.485
  168    HD2  PHE  24           HD2      PHE  24 -15.262  -4.217  -8.848
  169    HE1  PHE  24           HE1      PHE  24 -17.925  -7.494  -6.230
  170    HE2  PHE  24           HE2      PHE  24 -16.050  -3.645  -6.570
  171    HZ   PHE  24           HZ       PHE  24 -17.352  -5.281  -5.246
  172    H    TRP  25           H        TRP  25 -12.925  -9.264 -10.476
  173    HA   TRP  25           HA       TRP  25 -12.409  -8.803 -13.375
  174   1HB   TRP  25          HB2       TRP  25 -10.127  -9.253 -13.162
  175   2HB   TRP  25          HB3       TRP  25 -10.468  -8.076 -11.914
  176    HD1  TRP  25           HD1      TRP  25 -10.942  -9.360  -9.403
  177    HE1  TRP  25           HE1      TRP  25  -9.630 -11.262  -8.293
  178    HE3  TRP  25           HE3      TRP  25  -8.433 -11.095 -13.511
  179    HZ2  TRP  25           HZ2      TRP  25  -7.629 -13.197  -9.070
  180    HZ3  TRP  25           HZ3      TRP  25  -6.762 -12.905 -13.275
  181    HH2  TRP  25           HH2      TRP  25  -6.388 -13.999 -11.080
  182    H    ALA  26           H        ALA  26 -11.322 -10.938 -14.277
  183    HA   ALA  26           HA       ALA  26 -11.995 -13.359 -12.843
  184   1HB   ALA  26          HB1       ALA  26 -13.275 -14.384 -14.632
  185   2HB   ALA  26          HB2       ALA  26 -14.108 -12.903 -14.146
  186   3HB   ALA  26          HB3       ALA  26 -13.145 -12.926 -15.643
  187    HA   PRO  27           HA       PRO  27  -8.096 -13.975 -14.646
  188   1HB   PRO  27          HB2       PRO  27  -7.686 -16.692 -14.516
  189   2HB   PRO  27          HB3       PRO  27  -7.781 -15.634 -13.077
  190   1HG   PRO  27          HG2       PRO  27  -9.980 -17.330 -14.292
  191   2HG   PRO  27          HG3       PRO  27  -9.500 -17.191 -12.567
  192   1HD   PRO  27          HD2       PRO  27 -11.597 -15.783 -13.628
  193   2HD   PRO  27          HD3       PRO  27 -10.545 -15.092 -12.350
  194    H    TRP  28           H        TRP  28 -10.758 -15.576 -16.328
  195    HA   TRP  28           HA       TRP  28  -9.100 -16.273 -18.636
  196   1HB   TRP  28          HB2       TRP  28 -11.435 -16.873 -19.550
  197   2HB   TRP  28          HB3       TRP  28 -10.743 -17.816 -18.252
  198    HD1  TRP  28           HD1      TRP  28 -12.874 -14.569 -17.955
  199    HE1  TRP  28           HE1      TRP  28 -14.906 -15.051 -16.507
  200    HE3  TRP  28           HE3      TRP  28 -12.028 -19.537 -17.021
  201    HZ2  TRP  28           HZ2      TRP  28 -15.988 -17.287 -15.002
  202    HZ3  TRP  28           HZ3      TRP  28 -13.562 -20.806 -15.544
  203    HH2  TRP  28           HH2      TRP  28 -15.542 -19.693 -14.531
  204    H    CYS  29           H        CYS  29 -10.352 -13.325 -17.526
  205    HA   CYS  29           HA       CYS  29 -11.244 -12.347 -20.158
  206   1HB   CYS  29          HB2       CYS  29 -12.474 -11.691 -18.125
  207   2HB   CYS  29          HB3       CYS  29 -10.985 -11.022 -17.435
  208    HG   CYS  29           HG       CYS  29 -12.650 -10.141 -20.169
  209    H    GLY  30           H        GLY  30  -9.693 -11.695 -21.583
  210   1HA   GLY  30          HA2       GLY  30  -6.957 -11.336 -21.106
  211   2HA   GLY  30          HA3       GLY  30  -7.858 -10.661 -22.471
  212    HA   PRO  31           HA       PRO  31  -7.724  -6.512 -20.897
  213   1HB   PRO  31          HB2       PRO  31 -10.611  -6.665 -20.030
  214   2HB   PRO  31          HB3       PRO  31  -9.753  -5.301 -20.817
  215   1HG   PRO  31          HG2       PRO  31 -11.255  -6.986 -22.303
  216   2HG   PRO  31          HG3       PRO  31  -9.625  -6.515 -22.888
  217   1HD   PRO  31          HD2       PRO  31 -10.476  -9.084 -21.557
  218   2HD   PRO  31          HD3       PRO  31  -9.335  -8.830 -22.906
  219    H    CYS  32           H        CYS  32  -9.346  -8.680 -18.483
  220    HA   CYS  32           HA       CYS  32  -8.621  -7.125 -16.188
  221   1HB   CYS  32          HB2       CYS  32  -9.036 -10.141 -16.451
  222   2HB   CYS  32          HB3       CYS  32  -8.800  -9.269 -14.942
  223    HG   CYS  32           HG       CYS  32 -11.187  -8.783 -17.196
  224    H    LYS  33           H        LYS  33  -6.769  -9.554 -18.101
  225    HA   LYS  33           HA       LYS  33  -4.495  -9.513 -16.261
  226   1HB   LYS  33          HB2       LYS  33  -4.610 -10.306 -19.210
  227   2HB   LYS  33          HB3       LYS  33  -3.254 -10.553 -18.113
  228   1HG   LYS  33          HG2       LYS  33  -4.674 -12.016 -16.682
  229   2HG   LYS  33          HG3       LYS  33  -6.016 -11.816 -17.828
  230   1HD   LYS  33          HD2       LYS  33  -4.602 -12.780 -19.641
  231   2HD   LYS  33          HD3       LYS  33  -3.283 -13.015 -18.471
  232   1HE   LYS  33          HE2       LYS  33  -4.788 -14.473 -17.108
  233   2HE   LYS  33          HE3       LYS  33  -6.063 -14.259 -18.312
  234   1HZ   LYS  33          HZ1       LYS  33  -4.621 -15.348 -19.936
  235   2HZ   LYS  33          HZ2       LYS  33  -3.443 -15.549 -18.819
  236   3HZ   LYS  33          HZ3       LYS  33  -4.868 -16.320 -18.653
  237    H    MET  34           H        MET  34  -5.440  -7.775 -19.262
  238    HA   MET  34           HA       MET  34  -2.978  -6.440 -19.653
  239   1HB   MET  34          HB2       MET  34  -5.792  -5.541 -20.396
  240   2HB   MET  34          HB3       MET  34  -4.310  -4.810 -21.005
  241   1HG   MET  34          HG2       MET  34  -3.656  -6.832 -22.138
  242   2HG   MET  34          HG3       MET  34  -4.960  -7.751 -21.392
  243   1HE   MET  34          HE1       MET  34  -5.836  -8.771 -23.579
  244   2HE   MET  34          HE2       MET  34  -6.134  -7.844 -25.067
  245   3HE   MET  34          HE3       MET  34  -4.481  -7.995 -24.432
  246    H    ILE  35           H        ILE  35  -5.825  -5.471 -17.661
  247    HA   ILE  35           HA       ILE  35  -4.599  -2.925 -17.041
  248    HB   ILE  35           HB       ILE  35  -7.055  -3.398 -17.233
  249   1HG1  ILE  35          HG12      ILE  35  -6.116  -1.927 -14.745
  250   2HG1  ILE  35          HG13      ILE  35  -6.131  -1.295 -16.392
  251   1HG2  ILE  35          HG21      ILE  35  -6.854  -4.416 -14.373
  252   2HG2  ILE  35          HG22      ILE  35  -8.316  -4.248 -15.365
  253   3HG2  ILE  35          HG23      ILE  35  -7.101  -5.439 -15.802
  254   1HD1  ILE  35          HD11      ILE  35  -8.048  -0.426 -15.253
  255   2HD1  ILE  35          HD12      ILE  35  -8.644  -1.630 -16.413
  256   3HD1  ILE  35          HD13      ILE  35  -8.540  -2.030 -14.685
  257    H    ALA  36           H        ALA  36  -4.046  -6.100 -15.737
  258    HA   ALA  36           HA       ALA  36  -3.650  -5.481 -13.028
  259   1HB   ALA  36          HB1       ALA  36  -2.164  -7.567 -14.670
  260   2HB   ALA  36          HB2       ALA  36  -2.306  -7.508 -12.906
  261   3HB   ALA  36          HB3       ALA  36  -3.751  -7.777 -13.903
  262    HA   PRO  37           HA       PRO  37   0.923  -4.321 -13.746
  263   1HB   PRO  37          HB2       PRO  37   1.717  -3.364 -16.224
  264   2HB   PRO  37          HB3       PRO  37   1.930  -5.049 -15.657
  265   1HG   PRO  37          HG2       PRO  37  -0.295  -3.927 -17.383
  266   2HG   PRO  37          HG3       PRO  37   0.657  -5.427 -17.635
  267   1HD   PRO  37          HD2       PRO  37  -1.784  -5.524 -16.517
  268   2HD   PRO  37          HD3       PRO  37  -0.472  -6.545 -15.874
  269    H    VAL  38           H        VAL  38  -1.689  -2.657 -15.554
  270    HA   VAL  38           HA       VAL  38  -0.717  -0.014 -15.109
  271    HB   VAL  38           HB       VAL  38  -3.634  -0.839 -15.416
  272   1HG1  VAL  38          HG11      VAL  38  -3.130   1.550 -14.849
  273   2HG1  VAL  38          HG12      VAL  38  -2.143   1.636 -16.328
  274   3HG1  VAL  38          HG13      VAL  38  -3.890   1.339 -16.427
  275   1HG2  VAL  38          HG21      VAL  38  -3.309  -0.510 -17.863
  276   2HG2  VAL  38          HG22      VAL  38  -1.553  -0.420 -17.613
  277   3HG2  VAL  38          HG23      VAL  38  -2.436  -1.923 -17.274
  278    H    LEU  39           H        LEU  39  -2.907  -2.199 -13.249
  279    HA   LEU  39           HA       LEU  39  -3.363  -0.344 -11.131
  280   1HB   LEU  39          HB2       LEU  39  -3.518  -3.374 -11.260
  281   2HB   LEU  39          HB3       LEU  39  -3.985  -2.448  -9.839
  282    HG   LEU  39           HG       LEU  39  -5.240  -1.947 -12.568
  283   1HD1  LEU  39          HD11      LEU  39  -6.229  -3.777 -10.345
  284   2HD1  LEU  39          HD12      LEU  39  -7.134  -3.327 -11.810
  285   3HD1  LEU  39          HD13      LEU  39  -5.646  -4.268 -11.958
  286   1HD2  LEU  39          HD21      LEU  39  -7.054  -0.927 -11.267
  287   2HD2  LEU  39          HD22      LEU  39  -6.196  -1.278  -9.752
  288   3HD2  LEU  39          HD23      LEU  39  -5.525  -0.117 -10.917
  289    H    GLU  40           H        GLU  40  -0.724  -2.749 -11.692
  290    HA   GLU  40           HA       GLU  40   0.472  -2.279  -9.124
  291   1HB   GLU  40          HB2       GLU  40   1.655  -3.266 -11.742
  292   2HB   GLU  40          HB3       GLU  40   2.577  -3.124 -10.242
  293   1HG   GLU  40          HG2       GLU  40   0.975  -4.630  -9.095
  294   2HG   GLU  40          HG3       GLU  40   0.071  -4.823 -10.594
  295    H    GLU  41           H        GLU  41   0.854  -0.598 -12.268
  296    HA   GLU  41           HA       GLU  41   2.831   1.265 -11.370
  297   1HB   GLU  41          HB2       GLU  41   0.772   1.380 -13.590
  298   2HB   GLU  41          HB3       GLU  41   1.898   2.692 -13.240
  299   1HG   GLU  41          HG2       GLU  41   3.823   1.180 -13.547
  300   2HG   GLU  41          HG3       GLU  41   2.743  -0.147 -13.947
  301    H    LEU  42           H        LEU  42  -0.716   1.201 -11.079
  302    HA   LEU  42           HA       LEU  42  -0.780   3.833  -9.942
  303   1HB   LEU  42          HB2       LEU  42  -2.715   2.602 -11.084
  304   2HB   LEU  42          HB3       LEU  42  -2.824   1.594  -9.639
  305    HG   LEU  42           HG       LEU  42  -3.176   3.741  -8.294
  306   1HD1  LEU  42          HD11      LEU  42  -3.528   4.947 -11.076
  307   2HD1  LEU  42          HD12      LEU  42  -4.013   5.709  -9.544
  308   3HD1  LEU  42          HD13      LEU  42  -2.310   5.408  -9.870
  309   1HD2  LEU  42          HD21      LEU  42  -5.020   2.278  -8.780
  310   2HD2  LEU  42          HD22      LEU  42  -5.570   3.935  -9.057
  311   3HD2  LEU  42          HD23      LEU  42  -5.154   2.890 -10.435
  312    H    ASP  43           H        ASP  43  -0.577   0.507  -8.560
  313    HA   ASP  43           HA       ASP  43  -0.999   1.192  -5.855
  314   1HB   ASP  43          HB2       ASP  43  -1.133  -1.116  -6.527
  315   2HB   ASP  43          HB3       ASP  43   0.504  -1.087  -7.185
  316    H    GLN  44           H        GLN  44   1.969   1.121  -7.870
  317    HA   GLN  44           HA       GLN  44   3.651   1.562  -5.597
  318   1HB   GLN  44          HB2       GLN  44   5.420   1.475  -7.102
  319   2HB   GLN  44          HB3       GLN  44   4.140   0.395  -7.703
  320   1HG   GLN  44          HG2       GLN  44   3.490   2.202  -9.313
  321   2HG   GLN  44          HG3       GLN  44   4.937   3.099  -8.838
  322   1HE2  GLN  44          HE22      GLN  44   3.899  -0.200  -9.908
  323   2HE2  GLN  44          HE21      GLN  44   5.310  -0.514 -10.908
  324    H    GLU  45           H        GLU  45   1.888   3.698  -7.663
  325    HA   GLU  45           HA       GLU  45   3.292   6.119  -6.725
  326   1HB   GLU  45          HB2       GLU  45   0.995   5.620  -8.653
  327   2HB   GLU  45          HB3       GLU  45   1.555   7.242  -8.189
  328   1HG   GLU  45          HG2       GLU  45   3.866   6.610  -8.954
  329   2HG   GLU  45          HG3       GLU  45   3.206   5.091  -9.569
  330    H    MET  46           H        MET  46   0.132   4.521  -6.207
  331    HA   MET  46           HA       MET  46  -0.561   6.587  -4.158
  332   1HB   MET  46          HB2       MET  46  -2.312   5.410  -6.362
  333   2HB   MET  46          HB3       MET  46  -2.899   6.382  -5.011
  334   1HG   MET  46          HG2       MET  46  -1.473   8.262  -5.728
  335   2HG   MET  46          HG3       MET  46  -1.036   7.353  -7.184
  336   1HE   MET  46          HE1       MET  46  -1.999   9.984  -7.994
  337   2HE   MET  46          HE2       MET  46  -3.729  10.386  -7.915
  338   3HE   MET  46          HE3       MET  46  -2.767  10.311  -6.423
  339    H    GLY  47           H        GLY  47  -0.007   3.281  -4.523
  340   1HA   GLY  47          HA2       GLY  47  -2.322   2.197  -3.200
  341   2HA   GLY  47          HA3       GLY  47  -0.839   1.355  -3.609
  342    H    ASP  48           H        ASP  48  -1.629   4.066  -1.555
  343    HA   ASP  48           HA       ASP  48  -1.210   2.831   0.978
  344   1HB   ASP  48          HB2       ASP  48   1.157   3.357   0.543
  345   2HB   ASP  48          HB3       ASP  48   0.718   4.993   0.028
  346    H    LYS  49           H        LYS  49  -1.395   5.788  -1.019
  347    HA   LYS  49           HA       LYS  49  -3.028   7.397   0.669
  348   1HB   LYS  49          HB2       LYS  49  -2.934   7.322  -2.377
  349   2HB   LYS  49          HB3       LYS  49  -3.506   8.651  -1.375
  350   1HG   LYS  49          HG2       LYS  49  -1.211   9.022  -0.518
  351   2HG   LYS  49          HG3       LYS  49  -0.620   7.648  -1.472
  352   1HD   LYS  49          HD2       LYS  49  -1.364   8.811  -3.567
  353   2HD   LYS  49          HD3       LYS  49  -1.872  10.185  -2.591
  354   1HE   LYS  49          HE2       LYS  49   0.261  10.715  -3.536
  355   2HE   LYS  49          HE3       LYS  49   0.468  10.496  -1.801
  356   1HZ   LYS  49          HZ1       LYS  49   1.405   8.297  -2.261
  357   2HZ   LYS  49          HZ2       LYS  49   1.207   8.487  -3.884
  358   3HZ   LYS  49          HZ3       LYS  49   2.229   9.443  -3.060
  359    H    LEU  50           H        LEU  50  -3.692   4.860  -1.730
  360    HA   LEU  50           HA       LEU  50  -6.326   4.462  -0.554
  361   1HB   LEU  50          HB2       LEU  50  -7.492   4.548  -2.448
  362   2HB   LEU  50          HB3       LEU  50  -6.244   5.668  -2.950
  363    HG   LEU  50           HG       LEU  50  -6.242   2.697  -3.696
  364   1HD1  LEU  50          HD11      LEU  50  -7.115   3.518  -5.885
  365   2HD1  LEU  50          HD12      LEU  50  -8.266   3.594  -4.538
  366   3HD1  LEU  50          HD13      LEU  50  -7.461   5.069  -5.087
  367   1HD2  LEU  50          HD21      LEU  50  -4.737   5.073  -4.810
  368   2HD2  LEU  50          HD22      LEU  50  -4.067   3.654  -3.970
  369   3HD2  LEU  50          HD23      LEU  50  -4.793   3.460  -5.559
  370    H    LYS  51           H        LYS  51  -7.130   2.227  -1.085
  371    HA   LYS  51           HA       LYS  51  -4.892   0.233  -1.171
  372   1HB   LYS  51          HB2       LYS  51  -6.457   0.332   0.810
  373   2HB   LYS  51          HB3       LYS  51  -7.795  -0.019  -0.283
  374   1HG   LYS  51          HG2       LYS  51  -6.641  -2.212  -0.854
  375   2HG   LYS  51          HG3       LYS  51  -5.464  -1.847   0.414
  376   1HD   LYS  51          HD2       LYS  51  -8.487  -2.134   0.773
  377   2HD   LYS  51          HD3       LYS  51  -7.278  -3.355   1.178
  378   1HE   LYS  51          HE2       LYS  51  -6.279  -1.806   2.857
  379   2HE   LYS  51          HE3       LYS  51  -7.538  -0.600   2.500
  380   1HZ   LYS  51          HZ1       LYS  51  -8.115  -3.355   3.432
  381   2HZ   LYS  51          HZ2       LYS  51  -8.022  -2.081   4.452
  382   3HZ   LYS  51          HZ3       LYS  51  -9.183  -2.117   3.282
  383    H    ILE  52           H        ILE  52  -5.178  -1.580  -2.731
  384    HA   ILE  52           HA       ILE  52  -7.340  -1.177  -4.740
  385    HB   ILE  52           HB       ILE  52  -4.577  -2.313  -5.291
  386   1HG1  ILE  52          HG12      ILE  52  -5.775   0.399  -5.987
  387   2HG1  ILE  52          HG13      ILE  52  -4.328   0.066  -5.037
  388   1HG2  ILE  52          HG21      ILE  52  -5.289  -2.482  -7.622
  389   2HG2  ILE  52          HG22      ILE  52  -6.414  -3.368  -6.623
  390   3HG2  ILE  52          HG23      ILE  52  -6.869  -1.760  -7.225
  391   1HD1  ILE  52          HD11      ILE  52  -3.560   0.844  -7.142
  392   2HD1  ILE  52          HD12      ILE  52  -3.280  -0.902  -7.159
  393   3HD1  ILE  52          HD13      ILE  52  -4.663  -0.212  -8.037
  394    H    VAL  53           H        VAL  53  -8.646  -3.038  -4.941
  395    HA   VAL  53           HA       VAL  53  -7.727  -5.473  -3.468
  396    HB   VAL  53           HB       VAL  53 -10.481  -4.177  -3.267
  397   1HG1  VAL  53          HG11      VAL  53  -9.448  -6.732  -1.968
  398   2HG1  VAL  53          HG12      VAL  53 -10.992  -5.926  -1.600
  399   3HG1  VAL  53          HG13      VAL  53 -10.724  -6.608  -3.203
  400   1HG2  VAL  53          HG21      VAL  53 -10.039  -3.830  -0.919
  401   2HG2  VAL  53          HG22      VAL  53  -8.461  -4.628  -1.032
  402   3HG2  VAL  53          HG23      VAL  53  -8.726  -3.071  -1.834
  403    H    LYS  54           H        LYS  54  -7.695  -7.122  -4.881
  404    HA   LYS  54           HA       LYS  54  -9.360  -7.184  -7.309
  405   1HB   LYS  54          HB2       LYS  54  -7.564  -9.232  -5.913
  406   2HB   LYS  54          HB3       LYS  54  -8.355  -9.521  -7.448
  407   1HG   LYS  54          HG2       LYS  54  -6.273  -7.355  -6.970
  408   2HG   LYS  54          HG3       LYS  54  -6.014  -8.922  -7.756
  409   1HD   LYS  54          HD2       LYS  54  -7.846  -8.279  -9.415
  410   2HD   LYS  54          HD3       LYS  54  -7.785  -6.637  -8.730
  411   1HE   LYS  54          HE2       LYS  54  -5.579  -6.274  -9.435
  412   2HE   LYS  54          HE3       LYS  54  -5.262  -8.016  -9.640
  413   1HZ   LYS  54          HZ1       LYS  54  -7.184  -6.533 -11.343
  414   2HZ   LYS  54          HZ2       LYS  54  -5.612  -6.811 -11.779
  415   3HZ   LYS  54          HZ3       LYS  54  -6.645  -8.057 -11.563
  416    H    ILE  55           H        ILE  55 -11.257  -8.350  -7.587
  417    HA   ILE  55           HA       ILE  55 -11.881 -10.444  -5.619
  418    HB   ILE  55           HB       ILE  55 -12.870  -8.545  -4.602
  419   1HG1  ILE  55          HG12      ILE  55 -15.131 -10.083  -5.912
  420   2HG1  ILE  55          HG13      ILE  55 -14.042 -10.775  -4.699
  421   1HG2  ILE  55          HG21      ILE  55 -14.450  -7.973  -7.129
  422   2HG2  ILE  55          HG22      ILE  55 -14.571  -7.104  -5.592
  423   3HG2  ILE  55          HG23      ILE  55 -13.090  -6.999  -6.534
  424   1HD1  ILE  55          HD11      ILE  55 -15.876  -8.395  -4.255
  425   2HD1  ILE  55          HD12      ILE  55 -16.064 -10.030  -3.597
  426   3HD1  ILE  55          HD13      ILE  55 -14.700  -9.037  -3.080
  427    H    ASP  56           H        ASP  56 -12.350 -12.238  -6.713
  428    HA   ASP  56           HA       ASP  56 -12.671 -12.142  -9.616
  429   1HB   ASP  56          HB2       ASP  56 -11.165 -13.746  -8.623
  430   2HB   ASP  56          HB3       ASP  56 -12.455 -14.417  -7.625
  431    H    VAL  57           H        VAL  57 -14.666 -11.935 -10.543
  432    HA   VAL  57           HA       VAL  57 -17.051 -12.031  -8.999
  433    HB   VAL  57           HB       VAL  57 -18.235 -11.635 -11.079
  434   1HG1  VAL  57          HG11      VAL  57 -17.220  -9.542 -11.698
  435   2HG1  VAL  57          HG12      VAL  57 -16.981  -9.795  -9.962
  436   3HG1  VAL  57          HG13      VAL  57 -15.632 -10.055 -11.083
  437   1HG2  VAL  57          HG21      VAL  57 -15.612 -12.147 -12.549
  438   2HG2  VAL  57          HG22      VAL  57 -17.062 -13.163 -12.628
  439   3HG2  VAL  57          HG23      VAL  57 -17.111 -11.521 -13.263
  440    H    ASP  58           H        ASP  58 -15.377 -14.663 -10.614
  441    HA   ASP  58           HA       ASP  58 -17.698 -16.217 -11.274
  442   1HB   ASP  58          HB2       ASP  58 -15.498 -16.648 -12.272
  443   2HB   ASP  58          HB3       ASP  58 -14.850 -17.099 -10.689
  444    H    GLU  59           H        GLU  59 -15.862 -15.807  -8.297
  445    HA   GLU  59           HA       GLU  59 -17.581 -17.826  -6.911
  446   1HB   GLU  59          HB2       GLU  59 -15.052 -16.379  -6.014
  447   2HB   GLU  59          HB3       GLU  59 -16.026 -17.456  -5.001
  448   1HG   GLU  59          HG2       GLU  59 -15.651 -19.300  -6.671
  449   2HG   GLU  59          HG3       GLU  59 -14.555 -18.237  -7.555
  450    H    ASN  60           H        ASN  60 -16.661 -14.396  -7.017
  451    HA   ASN  60           HA       ASN  60 -18.292 -13.782  -4.662
  452   1HB   ASN  60          HB2       ASN  60 -16.472 -12.040  -6.355
  453   2HB   ASN  60          HB3       ASN  60 -17.301 -11.537  -4.883
  454   1HD2  ASN  60          HD22      ASN  60 -14.574 -13.323  -6.098
  455   2HD2  ASN  60          HD21      ASN  60 -13.972 -13.869  -4.542
  456    H    GLN  61           H        GLN  61 -19.867 -14.744  -6.466
  457    HA   GLN  61           HA       GLN  61 -21.184 -13.115  -8.346
  458   1HB   GLN  61          HB2       GLN  61 -22.337 -15.271  -6.519
  459   2HB   GLN  61          HB3       GLN  61 -23.019 -14.763  -8.054
  460   1HG   GLN  61          HG2       GLN  61 -21.523 -16.007  -9.296
  461   2HG   GLN  61          HG3       GLN  61 -20.196 -15.830  -8.167
  462   1HE2  GLN  61          HE22      GLN  61 -20.258 -17.122  -6.068
  463   2HE2  GLN  61          HE21      GLN  61 -21.125 -18.634  -6.085
  464    H    GLU  62           H        GLU  62 -21.687 -13.631  -4.854
  465    HA   GLU  62           HA       GLU  62 -23.995 -12.035  -4.524
  466   1HB   GLU  62          HB2       GLU  62 -21.778 -12.908  -2.624
  467   2HB   GLU  62          HB3       GLU  62 -23.289 -12.166  -2.078
  468   1HG   GLU  62          HG2       GLU  62 -23.047 -14.820  -3.568
  469   2HG   GLU  62          HG3       GLU  62 -23.310 -14.626  -1.842
  470    H    THR  63           H        THR  63 -20.537 -11.123  -4.568
  471    HA   THR  63           HA       THR  63 -21.152  -8.508  -3.481
  472    HB   THR  63           HB       THR  63 -18.538  -9.016  -4.745
  473    HG1  THR  63           HG1      THR  63 -19.472 -10.323  -2.423
  474   1HG2  THR  63          HG21      THR  63 -18.982  -6.946  -3.440
  475   2HG2  THR  63          HG22      THR  63 -19.270  -7.941  -1.995
  476   3HG2  THR  63          HG23      THR  63 -17.670  -7.914  -2.753
  477    H    ALA  64           H        ALA  64 -20.127  -9.878  -6.683
  478    HA   ALA  64           HA       ALA  64 -20.124  -7.331  -7.959
  479   1HB   ALA  64          HB1       ALA  64 -19.105  -9.494  -8.830
  480   2HB   ALA  64          HB2       ALA  64 -20.742 -10.061  -9.212
  481   3HB   ALA  64          HB3       ALA  64 -20.073  -8.629 -10.031
  482    H    GLY  65           H        GLY  65 -22.706  -9.831  -7.662
  483   1HA   GLY  65          HA2       GLY  65 -24.783  -8.460  -8.984
  484   2HA   GLY  65          HA3       GLY  65 -24.963  -9.688  -7.718
  485    H    LYS  66           H        LYS  66 -23.378  -7.882  -5.785
  486    HA   LYS  66           HA       LYS  66 -25.539  -6.576  -4.515
  487   1HB   LYS  66          HB2       LYS  66 -22.978  -7.269  -3.816
  488   2HB   LYS  66          HB3       LYS  66 -22.765  -5.542  -4.036
  489   1HG   LYS  66          HG2       LYS  66 -24.693  -5.186  -2.435
  490   2HG   LYS  66          HG3       LYS  66 -24.768  -6.937  -2.199
  491   1HD   LYS  66          HD2       LYS  66 -22.465  -5.068  -1.533
  492   2HD   LYS  66          HD3       LYS  66 -23.515  -5.885  -0.379
  493   1HE   LYS  66          HE2       LYS  66 -21.364  -7.089  -2.153
  494   2HE   LYS  66          HE3       LYS  66 -21.351  -6.953  -0.402
  495   1HZ   LYS  66          HZ1       LYS  66 -21.850  -9.196  -1.033
  496   2HZ   LYS  66          HZ2       LYS  66 -23.193  -8.563  -0.334
  497   3HZ   LYS  66          HZ3       LYS  66 -23.110  -8.764  -1.972
  498    H    TYR  67           H        TYR  67 -23.433  -5.496  -7.124
  499    HA   TYR  67           HA       TYR  67 -24.744  -2.818  -7.055
  500   1HB   TYR  67          HB2       TYR  67 -22.057  -3.240  -8.312
  501   2HB   TYR  67          HB3       TYR  67 -22.747  -1.778  -7.635
  502    HD1  TYR  67           HD1      TYR  67 -20.748  -4.753  -7.082
  503    HD2  TYR  67           HD2      TYR  67 -22.817  -1.568  -5.031
  504    HE1  TYR  67           HE1      TYR  67 -19.574  -5.338  -5.029
  505    HE2  TYR  67           HE2      TYR  67 -21.583  -2.104  -2.954
  506    HH   TYR  67           HH       TYR  67 -20.090  -3.562  -1.921
  507    H    GLY  68           H        GLY  68 -25.260  -5.579  -8.487
  508   1HA   GLY  68          HA2       GLY  68 -26.127  -6.258 -10.454
  509   2HA   GLY  68          HA3       GLY  68 -26.241  -4.560 -10.952
  510    H    VAL  69           H        VAL  69 -23.084  -5.900 -10.111
  511    HA   VAL  69           HA       VAL  69 -22.148  -5.576 -12.904
  512    HB   VAL  69           HB       VAL  69 -20.709  -6.117 -10.262
  513   1HG1  VAL  69          HG11      VAL  69 -19.511  -5.597 -13.018
  514   2HG1  VAL  69          HG12      VAL  69 -18.615  -5.665 -11.485
  515   3HG1  VAL  69          HG13      VAL  69 -19.404  -7.115 -12.096
  516   1HG2  VAL  69          HG21      VAL  69 -19.856  -3.821 -10.520
  517   2HG2  VAL  69          HG22      VAL  69 -20.802  -3.619 -12.014
  518   3HG2  VAL  69          HG23      VAL  69 -21.620  -3.812 -10.458
  519    H    MET  70           H        MET  70 -21.798  -7.309 -14.196
  520    HA   MET  70           HA       MET  70 -20.935  -9.815 -13.098
  521   1HB   MET  70          HB2       MET  70 -23.751  -9.578 -13.761
  522   2HB   MET  70          HB3       MET  70 -23.015 -10.683 -14.911
  523   1HG   MET  70          HG2       MET  70 -22.822 -10.853 -11.884
  524   2HG   MET  70          HG3       MET  70 -23.823 -11.867 -12.916
  525   1HE   MET  70          HE1       MET  70 -21.444 -12.517 -10.593
  526   2HE   MET  70          HE2       MET  70 -22.565 -13.755 -11.208
  527   3HE   MET  70          HE3       MET  70 -20.808 -14.036 -11.258
  528    H    SER  71           H        SER  71 -19.866  -7.654 -14.630
  529    HA   SER  71           HA       SER  71 -18.854  -9.064 -16.964
  530   1HB   SER  71          HB2       SER  71 -19.823  -6.168 -17.042
  531   2HB   SER  71          HB3       SER  71 -19.058  -7.058 -18.368
  532    HG   SER  71           HG       SER  71 -21.344  -6.975 -18.562
  533    H    ILE  72           H        ILE  72 -16.682  -8.198 -17.495
  534    HA   ILE  72           HA       ILE  72 -15.407  -6.651 -15.349
  535    HB   ILE  72           HB       ILE  72 -13.779  -8.379 -14.944
  536   1HG1  ILE  72          HG12      ILE  72 -13.824  -9.617 -17.069
  537   2HG1  ILE  72          HG13      ILE  72 -13.771 -10.588 -15.622
  538   1HG2  ILE  72          HG21      ILE  72 -15.058  -9.864 -13.545
  539   2HG2  ILE  72          HG22      ILE  72 -15.713  -8.221 -13.465
  540   3HG2  ILE  72          HG23      ILE  72 -16.555  -9.461 -14.402
  541   1HD1  ILE  72          HD11      ILE  72 -15.184 -11.634 -17.278
  542   2HD1  ILE  72          HD12      ILE  72 -16.169 -11.168 -15.887
  543   3HD1  ILE  72          HD13      ILE  72 -16.218 -10.208 -17.389
  544    HA   PRO  73           HA       PRO  73 -12.928  -6.464 -14.870
  545   1HB   PRO  73          HB2       PRO  73 -11.306  -4.276 -15.274
  546   2HB   PRO  73          HB3       PRO  73 -10.776  -5.967 -15.442
  547   1HG   PRO  73          HG2       PRO  73 -11.535  -4.017 -17.599
  548   2HG   PRO  73          HG3       PRO  73 -10.250  -5.270 -17.614
  549   1HD   PRO  73          HD2       PRO  73 -12.707  -5.581 -18.842
  550   2HD   PRO  73          HD3       PRO  73 -11.748  -6.942 -18.193
  551    H    THR  74           H        THR  74 -13.940  -5.167 -13.387
  552    HA   THR  74           HA       THR  74 -15.196  -2.639 -14.304
  553    HB   THR  74           HB       THR  74 -16.555  -4.874 -12.754
  554    HG1  THR  74           HG1      THR  74 -17.364  -5.268 -14.613
  555   1HG2  THR  74          HG21      THR  74 -18.524  -3.254 -12.786
  556   2HG2  THR  74          HG22      THR  74 -17.214  -2.822 -11.677
  557   3HG2  THR  74          HG23      THR  74 -17.375  -1.972 -13.223
  558    H    LEU  75           H        LEU  75 -14.516  -1.062 -13.100
  559    HA   LEU  75           HA       LEU  75 -12.993  -1.636 -10.612
  560   1HB   LEU  75          HB2       LEU  75 -13.143   0.834 -12.393
  561   2HB   LEU  75          HB3       LEU  75 -12.213   0.713 -10.909
  562    HG   LEU  75           HG       LEU  75 -11.736  -0.927 -13.440
  563   1HD1  LEU  75          HD11      LEU  75  -9.705   0.430 -13.668
  564   2HD1  LEU  75          HD12      LEU  75 -11.149   1.453 -13.682
  565   3HD1  LEU  75          HD13      LEU  75 -10.143   1.362 -12.220
  566   1HD2  LEU  75          HD21      LEU  75 -11.037  -2.230 -11.506
  567   2HD2  LEU  75          HD22      LEU  75  -9.609  -1.617 -12.334
  568   3HD2  LEU  75          HD23      LEU  75 -10.159  -0.843 -10.827
  569    H    LEU  76           H        LEU  76 -13.793  -0.825  -8.702
  570    HA   LEU  76           HA       LEU  76 -16.119   1.051  -8.798
  571   1HB   LEU  76          HB2       LEU  76 -15.825  -1.477  -7.182
  572   2HB   LEU  76          HB3       LEU  76 -16.411  -0.035  -6.364
  573    HG   LEU  76           HG       LEU  76 -18.217   0.209  -8.039
  574   1HD1  LEU  76          HD11      LEU  76 -17.382  -2.592  -8.924
  575   2HD1  LEU  76          HD12      LEU  76 -18.863  -1.737  -9.410
  576   3HD1  LEU  76          HD13      LEU  76 -17.289  -1.118  -9.905
  577   1HD2  LEU  76          HD21      LEU  76 -19.629  -1.520  -7.061
  578   2HD2  LEU  76          HD22      LEU  76 -18.207  -2.433  -6.523
  579   3HD2  LEU  76          HD23      LEU  76 -18.568  -0.844  -5.822
  580    H    VAL  77           H        VAL  77 -15.672   2.871  -7.637
  581    HA   VAL  77           HA       VAL  77 -13.158   2.897  -6.014
  582    HB   VAL  77           HB       VAL  77 -14.851   5.293  -6.785
  583   1HG1  VAL  77          HG11      VAL  77 -11.976   5.039  -5.793
  584   2HG1  VAL  77          HG12      VAL  77 -12.820   6.555  -6.172
  585   3HG1  VAL  77          HG13      VAL  77 -13.368   5.558  -4.820
  586   1HG2  VAL  77          HG21      VAL  77 -13.151   5.867  -8.476
  587   2HG2  VAL  77          HG22      VAL  77 -12.358   4.294  -8.229
  588   3HG2  VAL  77          HG23      VAL  77 -13.999   4.383  -8.910
  589    H    LEU  78           H        LEU  78 -13.554   2.610  -3.910
  590    HA   LEU  78           HA       LEU  78 -16.210   3.347  -2.791
  591   1HB   LEU  78          HB2       LEU  78 -14.398   1.097  -1.809
  592   2HB   LEU  78          HB3       LEU  78 -15.919   1.609  -1.108
  593    HG   LEU  78           HG       LEU  78 -16.754   1.044  -3.670
  594   1HD1  LEU  78          HD11      LEU  78 -14.565  -0.977  -3.035
  595   2HD1  LEU  78          HD12      LEU  78 -15.756  -1.108  -4.341
  596   3HD1  LEU  78          HD13      LEU  78 -14.546   0.187  -4.365
  597   1HD2  LEU  78          HD21      LEU  78 -17.662  -1.047  -2.787
  598   2HD2  LEU  78          HD22      LEU  78 -16.550  -0.978  -1.404
  599   3HD2  LEU  78          HD23      LEU  78 -17.821   0.246  -1.593
  600    H    LYS  79           H        LYS  79 -16.067   4.134  -0.564
  601    HA   LYS  79           HA       LYS  79 -13.386   4.790   0.427
  602   1HB   LYS  79          HB2       LYS  79 -14.100   6.738  -0.979
  603   2HB   LYS  79          HB3       LYS  79 -15.514   6.952   0.066
  604   1HG   LYS  79          HG2       LYS  79 -14.054   7.410   2.001
  605   2HG   LYS  79          HG3       LYS  79 -12.623   6.997   1.045
  606   1HD   LYS  79          HD2       LYS  79 -13.319   8.898  -0.552
  607   2HD   LYS  79          HD3       LYS  79 -14.467   9.402   0.700
  608   1HE   LYS  79          HE2       LYS  79 -12.631   9.777   2.290
  609   2HE   LYS  79          HE3       LYS  79 -11.478   9.022   1.183
  610   1HZ   LYS  79          HZ1       LYS  79 -12.039  10.832  -0.411
  611   2HZ   LYS  79          HZ2       LYS  79 -12.800  11.630   0.816
  612   3HZ   LYS  79          HZ3       LYS  79 -11.179  11.304   0.859
  613    H    ASP  80           H        ASP  80 -13.363   4.235   2.519
  614    HA   ASP  80           HA       ASP  80 -14.051   3.475   4.507
  615   1HB   ASP  80          HB2       ASP  80 -13.922   5.925   4.731
  616   2HB   ASP  80          HB3       ASP  80 -15.652   6.052   4.409
  617    H    GLY  81           H        GLY  81 -15.516   2.122   2.549
  618   1HA   GLY  81          HA2       GLY  81 -16.892   0.339   2.974
  619   2HA   GLY  81          HA3       GLY  81 -17.721   1.217   4.258
  620    H    GLU  82           H        GLU  82 -17.640   3.195   1.438
  621    HA   GLU  82           HA       GLU  82 -20.197   2.039   0.400
  622   1HB   GLU  82          HB2       GLU  82 -19.527   4.963   0.961
  623   2HB   GLU  82          HB3       GLU  82 -20.919   4.427   0.029
  624   1HG   GLU  82          HG2       GLU  82 -20.379   3.841   2.961
  625   2HG   GLU  82          HG3       GLU  82 -21.533   5.003   2.313
  626    H    VAL  83           H        VAL  83 -20.449   2.173  -1.802
  627    HA   VAL  83           HA       VAL  83 -18.113   2.719  -3.490
  628    HB   VAL  83           HB       VAL  83 -19.569   0.871  -4.020
  629   1HG1  VAL  83          HG11      VAL  83 -21.752   1.638  -3.185
  630   2HG1  VAL  83          HG12      VAL  83 -21.828   2.857  -4.479
  631   3HG1  VAL  83          HG13      VAL  83 -21.846   1.125  -4.869
  632   1HG2  VAL  83          HG21      VAL  83 -19.803   3.057  -6.122
  633   2HG2  VAL  83          HG22      VAL  83 -18.392   2.011  -5.848
  634   3HG2  VAL  83          HG23      VAL  83 -19.924   1.310  -6.388
  635    H    VAL  84           H        VAL  84 -17.712   4.456  -4.607
  636    HA   VAL  84           HA       VAL  84 -19.581   6.756  -4.479
  637    HB   VAL  84           HB       VAL  84 -17.698   8.260  -4.178
  638   1HG1  VAL  84          HG11      VAL  84 -18.913   7.388  -2.180
  639   2HG1  VAL  84          HG12      VAL  84 -17.673   6.132  -1.992
  640   3HG1  VAL  84          HG13      VAL  84 -17.236   7.842  -1.834
  641   1HG2  VAL  84          HG21      VAL  84 -15.871   6.919  -5.182
  642   2HG2  VAL  84          HG22      VAL  84 -15.458   7.510  -3.569
  643   3HG2  VAL  84          HG23      VAL  84 -15.921   5.815  -3.782
  644    H    GLU  85           H        GLU  85 -17.479   4.703  -6.444
  645    HA   GLU  85           HA       GLU  85 -18.752   5.963  -8.739
  646   1HB   GLU  85          HB2       GLU  85 -15.917   6.595  -8.152
  647   2HB   GLU  85          HB3       GLU  85 -16.116   5.871  -9.731
  648   1HG   GLU  85          HG2       GLU  85 -17.447   8.389  -8.691
  649   2HG   GLU  85          HG3       GLU  85 -16.170   8.267  -9.892
  650    H    THR  86           H        THR  86 -18.178   4.797 -10.813
  651    HA   THR  86           HA       THR  86 -17.169   2.058 -10.516
  652    HB   THR  86           HB       THR  86 -20.023   2.730 -11.341
  653    HG1  THR  86           HG1      THR  86 -19.014   2.267  -9.020
  654   1HG2  THR  86          HG21      THR  86 -20.327   0.227 -11.493
  655   2HG2  THR  86          HG22      THR  86 -19.320   0.915 -12.773
  656   3HG2  THR  86          HG23      THR  86 -18.556   0.060 -11.422
  657    H    SER  87           H        SER  87 -16.297   1.333 -12.461
  658    HA   SER  87           HA       SER  87 -16.798   2.759 -14.998
  659   1HB   SER  87          HB2       SER  87 -14.002   2.394 -13.829
  660   2HB   SER  87          HB3       SER  87 -14.422   3.172 -15.359
  661    HG   SER  87           HG       SER  87 -15.546   4.771 -14.093
  662    H    VAL  88           H        VAL  88 -15.939   1.434 -16.851
  663    HA   VAL  88           HA       VAL  88 -15.467  -1.421 -16.135
  664    HB   VAL  88           HB       VAL  88 -17.452  -0.395 -18.205
  665   1HG1  VAL  88          HG11      VAL  88 -16.847  -3.225 -17.234
  666   2HG1  VAL  88          HG12      VAL  88 -18.188  -2.778 -18.309
  667   3HG1  VAL  88          HG13      VAL  88 -16.531  -2.573 -18.860
  668   1HG2  VAL  88          HG21      VAL  88 -18.399  -0.005 -15.972
  669   2HG2  VAL  88          HG22      VAL  88 -19.216  -1.362 -16.736
  670   3HG2  VAL  88          HG23      VAL  88 -17.990  -1.668 -15.489
  671    H    GLY  89           H        GLY  89 -14.209  -2.552 -17.620
  672   1HA   GLY  89          HA2       GLY  89 -12.941  -2.958 -19.496
  673   2HA   GLY  89          HA3       GLY  89 -13.397  -1.393 -20.173
  674    H    PHE  90           H        PHE  90 -10.909  -2.030 -20.600
  675    HA   PHE  90           HA       PHE  90  -8.927  -1.452 -18.652
  676   1HB   PHE  90          HB2       PHE  90  -8.546  -2.627 -20.797
  677   2HB   PHE  90          HB3       PHE  90  -8.911  -1.154 -21.684
  678    HD1  PHE  90           HD1      PHE  90  -6.408  -2.912 -19.602
  679    HD2  PHE  90           HD2      PHE  90  -7.296   0.707 -21.787
  680    HE1  PHE  90           HE1      PHE  90  -4.014  -2.255 -19.515
  681    HE2  PHE  90           HE2      PHE  90  -4.908   1.366 -21.662
  682    HZ   PHE  90           HZ       PHE  90  -3.263  -0.118 -20.528
  683    H    LYS  91           H        LYS  91  -7.668   0.460 -18.315
  684    HA   LYS  91           HA       LYS  91  -8.222   2.881 -19.737
  685   1HB   LYS  91          HB2       LYS  91  -9.451   2.473 -17.083
  686   2HB   LYS  91          HB3       LYS  91  -8.344   3.837 -17.066
  687   1HG   LYS  91          HG2       LYS  91  -9.544   5.094 -18.554
  688   2HG   LYS  91          HG3       LYS  91 -10.201   3.725 -19.426
  689   1HD   LYS  91          HD2       LYS  91 -11.078   4.565 -16.641
  690   2HD   LYS  91          HD3       LYS  91 -11.896   5.019 -18.135
  691   1HE   LYS  91          HE2       LYS  91 -11.569   2.174 -17.062
  692   2HE   LYS  91          HE3       LYS  91 -13.039   3.147 -17.033
  693   1HZ   LYS  91          HZ1       LYS  91 -12.961   3.136 -19.497
  694   2HZ   LYS  91          HZ2       LYS  91 -11.690   2.084 -19.443
  695   3HZ   LYS  91          HZ3       LYS  91 -13.156   1.650 -18.847
  696    HA   PRO  92           HA       PRO  92  -3.899   2.943 -18.707
  697   1HB   PRO  92          HB2       PRO  92  -3.170   5.519 -19.277
  698   2HB   PRO  92          HB3       PRO  92  -3.666   4.355 -20.543
  699   1HG   PRO  92          HG2       PRO  92  -5.366   6.475 -19.195
  700   2HG   PRO  92          HG3       PRO  92  -5.204   6.136 -20.948
  701   1HD   PRO  92          HD2       PRO  92  -7.264   5.139 -19.450
  702   2HD   PRO  92          HD3       PRO  92  -6.541   4.204 -20.794
  703    H    LYS  93           H        LYS  93  -2.354   3.792 -17.143
  704    HA   LYS  93           HA       LYS  93  -3.387   4.075 -14.551
  705   1HB   LYS  93          HB2       LYS  93  -1.110   3.256 -15.157
  706   2HB   LYS  93          HB3       LYS  93  -0.677   4.865 -15.682
  707   1HG   LYS  93          HG2       LYS  93  -1.487   5.235 -12.973
  708   2HG   LYS  93          HG3       LYS  93  -0.748   3.649 -12.982
  709   1HD   LYS  93          HD2       LYS  93   1.032   5.201 -12.564
  710   2HD   LYS  93          HD3       LYS  93   1.220   4.652 -14.234
  711   1HE   LYS  93          HE2       LYS  93   1.626   6.984 -14.270
  712   2HE   LYS  93          HE3       LYS  93   0.045   6.746 -15.016
  713   1HZ   LYS  93          HZ1       LYS  93  -0.918   7.360 -12.837
  714   2HZ   LYS  93          HZ2       LYS  93   0.596   7.678 -12.268
  715   3HZ   LYS  93          HZ3       LYS  93  -0.025   8.560 -13.539
  716    H    GLU  94           H        GLU  94  -2.350   6.649 -16.826
  717    HA   GLU  94           HA       GLU  94  -2.567   8.775 -14.979
  718   1HB   GLU  94          HB2       GLU  94  -2.853   8.665 -17.994
  719   2HB   GLU  94          HB3       GLU  94  -2.944  10.186 -17.100
  720   1HG   GLU  94          HG2       GLU  94  -0.557   8.291 -16.969
  721   2HG   GLU  94          HG3       GLU  94  -0.674   9.674 -18.049
  722    H    ALA  95           H        ALA  95  -5.113   7.176 -16.889
  723    HA   ALA  95           HA       ALA  95  -7.164   9.069 -16.131
  724   1HB   ALA  95          HB1       ALA  95  -8.692   7.358 -17.004
  725   2HB   ALA  95          HB2       ALA  95  -7.342   7.617 -18.135
  726   3HB   ALA  95          HB3       ALA  95  -7.366   6.184 -17.070
  727    H    LEU  96           H        LEU  96  -5.986   5.903 -14.910
  728    HA   LEU  96           HA       LEU  96  -8.001   5.583 -12.931
  729   1HB   LEU  96          HB2       LEU  96  -5.142   4.536 -12.828
  730   2HB   LEU  96          HB3       LEU  96  -6.502   4.013 -11.838
  731    HG   LEU  96           HG       LEU  96  -6.129   3.554 -14.812
  732   1HD1  LEU  96          HD11      LEU  96  -6.406   1.606 -12.493
  733   2HD1  LEU  96          HD12      LEU  96  -6.075   1.206 -14.193
  734   3HD1  LEU  96          HD13      LEU  96  -4.868   2.085 -13.241
  735   1HD2  LEU  96          HD21      LEU  96  -8.549   2.926 -13.083
  736   2HD2  LEU  96          HD22      LEU  96  -8.503   3.989 -14.506
  737   3HD2  LEU  96          HD23      LEU  96  -8.257   2.253 -14.705
  738    H    GLN  97           H        GLN  97  -4.758   7.157 -12.768
  739    HA   GLN  97           HA       GLN  97  -5.091   7.741  -9.972
  740   1HB   GLN  97          HB2       GLN  97  -3.142   9.077 -10.045
  741   2HB   GLN  97          HB3       GLN  97  -2.871   7.645 -11.016
  742   1HG   GLN  97          HG2       GLN  97  -1.883   9.366 -12.230
  743   2HG   GLN  97          HG3       GLN  97  -3.416   9.062 -13.034
  744   1HE2  GLN  97          HE22      GLN  97  -4.286  10.941 -13.776
  745   2HE2  GLN  97          HE21      GLN  97  -4.146  12.505 -12.989
  746    H    GLU  98           H        GLU  98  -6.091   9.415 -12.955
  747    HA   GLU  98           HA       GLU  98  -6.739  11.886 -11.685
  748   1HB   GLU  98          HB2       GLU  98  -6.542  11.681 -14.118
  749   2HB   GLU  98          HB3       GLU  98  -7.925  10.584 -14.177
  750   1HG   GLU  98          HG2       GLU  98  -9.409  12.349 -13.344
  751   2HG   GLU  98          HG3       GLU  98  -8.038  13.444 -13.145
  752    H    LEU  99           H        LEU  99  -8.597   8.921 -12.420
  753    HA   LEU  99           HA       LEU  99 -11.058   9.694 -11.245
  754   1HB   LEU  99          HB2       LEU  99 -10.845   7.763 -12.712
  755   2HB   LEU  99          HB3       LEU  99  -9.757   6.965 -11.581
  756    HG   LEU  99           HG       LEU  99 -11.565   6.749  -9.924
  757   1HD1  LEU  99          HD11      LEU  99 -13.346   7.979 -12.080
  758   2HD1  LEU  99          HD12      LEU  99 -13.927   7.177 -10.606
  759   3HD1  LEU  99          HD13      LEU  99 -12.998   8.670 -10.480
  760   1HD2  LEU  99          HD21      LEU  99 -11.137   4.947 -11.535
  761   2HD2  LEU  99          HD22      LEU  99 -12.861   5.038 -11.147
  762   3HD2  LEU  99          HD23      LEU  99 -12.271   5.682 -12.689
  763    H    VAL 100           H        VAL 100  -8.219   8.041  -9.754
  764    HA   VAL 100           HA       VAL 100  -9.416   7.803  -7.181
  765    HB   VAL 100           HB       VAL 100  -6.560   7.723  -8.209
  766   1HG1  VAL 100          HG11      VAL 100  -5.908   6.784  -5.977
  767   2HG1  VAL 100          HG12      VAL 100  -6.265   8.505  -5.953
  768   3HG1  VAL 100          HG13      VAL 100  -7.468   7.358  -5.326
  769   1HG2  VAL 100          HG21      VAL 100  -8.470   5.613  -7.095
  770   2HG2  VAL 100          HG22      VAL 100  -8.052   5.823  -8.793
  771   3HG2  VAL 100          HG23      VAL 100  -6.806   5.315  -7.649
  772    H    ASN 101           H        ASN 101  -7.239  10.387  -8.513
  773    HA   ASN 101           HA       ASN 101  -7.101  11.714  -6.024
  774   1HB   ASN 101          HB2       ASN 101  -5.686  13.097  -6.985
  775   2HB   ASN 101          HB3       ASN 101  -5.789  12.055  -8.389
  776   1HD2  ASN 101          HD22      ASN 101  -7.614  12.705 -10.025
  777   2HD2  ASN 101          HD21      ASN 101  -7.728  14.426 -10.317
  778    H    LYS 102           H        LYS 102  -9.621  11.832  -8.452
  779    HA   LYS 102           HA       LYS 102 -10.988  14.119  -7.350
  780   1HB   LYS 102          HB2       LYS 102 -12.012  11.723  -8.936
  781   2HB   LYS 102          HB3       LYS 102 -13.028  13.074  -8.483
  782   1HG   LYS 102          HG2       LYS 102 -10.570  13.236 -10.269
  783   2HG   LYS 102          HG3       LYS 102 -12.237  13.254 -10.804
  784   1HD   LYS 102          HD2       LYS 102 -10.808  15.386  -9.164
  785   2HD   LYS 102          HD3       LYS 102 -11.274  15.501 -10.847
  786   1HE   LYS 102          HE2       LYS 102 -13.225  15.269  -8.508
  787   2HE   LYS 102          HE3       LYS 102 -12.756  16.774  -9.295
  788   1HZ   LYS 102          HZ1       LYS 102 -14.193  14.553 -10.631
  789   2HZ   LYS 102          HZ2       LYS 102 -14.837  15.975 -10.169
  790   3HZ   LYS 102          HZ3       LYS 102 -13.724  15.944 -11.355
  791    H    HIS 103           H        HIS 103 -10.588  10.927  -5.998
  792    HA   HIS 103           HA       HIS 103 -12.819  11.485  -4.095
  793   1HB   HIS 103          HB2       HIS 103 -11.803   8.853  -5.211
  794   2HB   HIS 103          HB3       HIS 103 -12.916   8.983  -3.852
  795    HD1  HIS 103           HD1      HIS 103 -15.329  10.362  -4.471
  796    HD2  HIS 103           HD2      HIS 103 -12.936   8.871  -7.595
  797    HE1  HIS 103           HE1      HIS 103 -16.802  10.315  -6.548
  798    H    LEU 104           H        LEU 104  -9.377  11.146  -4.255
  799    HA   LEU 104           HA       LEU 104  -8.847  10.192  -1.634
  800   1HB   LEU 104          HB2       LEU 104  -7.384  12.297  -3.265
  801   2HB   LEU 104          HB3       LEU 104  -6.819  11.668  -1.726
  802    HG   LEU 104           HG       LEU 104  -7.169  10.050  -4.274
  803   1HD1  LEU 104          HD11      LEU 104  -5.241  11.595  -4.290
  804   2HD1  LEU 104          HD12      LEU 104  -4.660  10.884  -2.770
  805   3HD1  LEU 104          HD13      LEU 104  -4.726   9.903  -4.251
  806   1HD2  LEU 104          HD21      LEU 104  -7.611   8.550  -2.424
  807   2HD2  LEU 104          HD22      LEU 104  -5.988   8.229  -3.022
  808   3HD2  LEU 104          HD23      LEU 104  -6.204   9.163  -1.526
  Start of MODEL   16
    1   1H    MET   1          H1        MET   1   3.249  -0.223  -3.171
    2   2H    MET   1          H2        MET   1   1.636   0.003  -3.045
    3   3H    MET   1          H3        MET   1   2.676   1.135  -2.443
    4    HA   MET   1           HA       MET   1   3.512  -0.445  -0.839
    5   1HB   MET   1          HB2       MET   1   1.662   1.096  -0.229
    6   2HB   MET   1          HB3       MET   1   0.483  -0.142  -0.670
    7   1HG   MET   1          HG2       MET   1   1.422  -1.641   1.074
    8   2HG   MET   1          HG3       MET   1   2.647  -0.426   1.460
    9   1HE   MET   1          HE1       MET   1   0.779  -1.833   3.618
   10   2HE   MET   1          HE2       MET   1   2.016  -0.618   4.015
   11   3HE   MET   1          HE3       MET   1   0.363  -0.443   4.643
   12    H    ALA   2           H        ALA   2   0.331  -2.027  -1.366
   13    HA   ALA   2           HA       ALA   2   1.336  -4.172  -2.926
   14   1HB   ALA   2          HB1       ALA   2   2.209  -5.024  -0.746
   15   2HB   ALA   2          HB2       ALA   2   0.602  -4.801  -0.011
   16   3HB   ALA   2          HB3       ALA   2   0.835  -5.997  -1.304
   17    H    ILE   3           H        ILE   3  -0.378  -5.203  -3.868
   18    HA   ILE   3           HA       ILE   3  -3.062  -4.098  -3.510
   19    HB   ILE   3           HB       ILE   3  -1.864  -6.204  -5.364
   20   1HG1  ILE   3          HG12      ILE   3  -2.641  -3.279  -5.820
   21   2HG1  ILE   3          HG13      ILE   3  -0.998  -3.873  -5.651
   22   1HG2  ILE   3          HG21      ILE   3  -4.653  -4.969  -5.406
   23   2HG2  ILE   3          HG22      ILE   3  -3.962  -5.955  -6.712
   24   3HG2  ILE   3          HG23      ILE   3  -4.248  -6.678  -5.146
   25   1HD1  ILE   3          HD11      ILE   3  -2.868  -4.435  -7.936
   26   2HD1  ILE   3          HD12      ILE   3  -1.353  -3.518  -7.927
   27   3HD1  ILE   3          HD13      ILE   3  -1.300  -5.273  -7.663
   28    H    VAL   4           H        VAL   4  -4.914  -5.516  -3.034
   29    HA   VAL   4           HA       VAL   4  -4.268  -7.691  -1.105
   30    HB   VAL   4           HB       VAL   4  -6.379  -5.501  -0.822
   31   1HG1  VAL   4          HG11      VAL   4  -7.009  -7.457   0.479
   32   2HG1  VAL   4          HG12      VAL   4  -5.364  -7.587   1.159
   33   3HG1  VAL   4          HG13      VAL   4  -6.424  -6.227   1.577
   34   1HG2  VAL   4          HG21      VAL   4  -3.634  -5.666   0.498
   35   2HG2  VAL   4          HG22      VAL   4  -4.221  -4.388  -0.592
   36   3HG2  VAL   4          HG23      VAL   4  -4.934  -4.566   1.004
   37    H    LYS   5           H        LYS   5  -6.446  -9.016  -0.779
   38    HA   LYS   5           HA       LYS   5  -8.241  -8.841  -3.069
   39   1HB   LYS   5          HB2       LYS   5  -8.148 -11.111  -3.658
   40   2HB   LYS   5          HB3       LYS   5  -6.496 -10.514  -3.675
   41   1HG   LYS   5          HG2       LYS   5  -7.755 -12.253  -1.507
   42   2HG   LYS   5          HG3       LYS   5  -6.721 -12.818  -2.801
   43   1HD   LYS   5          HD2       LYS   5  -5.910 -11.035  -0.478
   44   2HD   LYS   5          HD3       LYS   5  -5.463 -12.707  -0.726
   45   1HE   LYS   5          HE2       LYS   5  -4.641 -10.406  -2.565
   46   2HE   LYS   5          HE3       LYS   5  -3.650 -11.055  -1.259
   47   1HZ   LYS   5          HZ1       LYS   5  -3.625 -13.193  -2.397
   48   2HZ   LYS   5          HZ2       LYS   5  -4.523 -12.605  -3.630
   49   3HZ   LYS   5          HZ3       LYS   5  -3.025 -12.028  -3.359
   50    H    ALA   6           H        ALA   6 -10.329  -9.795  -2.613
   51    HA   ALA   6           HA       ALA   6 -10.841 -10.640   0.155
   52   1HB   ALA   6          HB1       ALA   6 -12.533  -8.914   0.527
   53   2HB   ALA   6          HB2       ALA   6 -10.985  -8.128   0.180
   54   3HB   ALA   6          HB3       ALA   6 -12.231  -8.219  -1.082
   55    H    THR   7           H        THR   7 -13.295 -11.121   0.364
   56    HA   THR   7           HA       THR   7 -14.547 -11.974  -2.154
   57    HB   THR   7           HB       THR   7 -15.159 -14.135  -1.072
   58    HG1  THR   7           HG1      THR   7 -14.880 -14.264   0.921
   59   1HG2  THR   7          HG21      THR   7 -13.146 -14.036  -2.563
   60   2HG2  THR   7          HG22      THR   7 -12.132 -13.831  -1.116
   61   3HG2  THR   7          HG23      THR   7 -13.083 -15.314  -1.332
   62    H    ASP   8           H        ASP   8 -16.977 -12.555  -1.502
   63    HA   ASP   8           HA       ASP   8 -18.204 -10.286  -0.552
   64   1HB   ASP   8          HB2       ASP   8 -19.276 -12.311  -1.729
   65   2HB   ASP   8          HB3       ASP   8 -19.394 -13.057  -0.146
   66    H    GLN   9           H        GLN   9 -17.001 -12.941   1.359
   67    HA   GLN   9           HA       GLN   9 -18.319 -12.506   3.821
   68   1HB   GLN   9          HB2       GLN   9 -15.601 -13.733   3.157
   69   2HB   GLN   9          HB3       GLN   9 -16.385 -13.826   4.732
   70   1HG   GLN   9          HG2       GLN   9 -16.859 -15.896   3.696
   71   2HG   GLN   9          HG3       GLN   9 -18.357 -14.977   3.655
   72   1HE2  GLN   9          HE22      GLN   9 -19.180 -16.278   1.839
   73   2HE2  GLN   9          HE21      GLN   9 -18.519 -16.082   0.236
   74    H    SER  10           H        SER  10 -15.451 -10.914   2.430
   75    HA   SER  10           HA       SER  10 -15.231  -9.245   4.905
   76   1HB   SER  10          HB2       SER  10 -12.886 -10.532   3.448
   77   2HB   SER  10          HB3       SER  10 -12.831  -9.601   4.954
   78    HG   SER  10           HG       SER  10 -12.759 -11.864   5.317
   79    H    PHE  11           H        PHE  11 -15.537  -9.110   1.553
   80    HA   PHE  11           HA       PHE  11 -13.883  -7.006   0.771
   81   1HB   PHE  11          HB2       PHE  11 -15.415  -8.336  -0.673
   82   2HB   PHE  11          HB3       PHE  11 -16.799  -7.522   0.039
   83    HD1  PHE  11           HD1      PHE  11 -17.261  -5.115  -0.513
   84    HD2  PHE  11           HD2      PHE  11 -13.977  -7.270  -2.303
   85    HE1  PHE  11           HE1      PHE  11 -17.074  -3.384  -2.284
   86    HE2  PHE  11           HE2      PHE  11 -13.826  -5.568  -4.076
   87    HZ   PHE  11           HZ       PHE  11 -15.396  -3.624  -4.091
   88    H    SER  12           H        SER  12 -16.932  -6.863   2.666
   89    HA   SER  12           HA       SER  12 -17.178  -4.044   2.561
   90   1HB   SER  12          HB2       SER  12 -18.169  -5.894   4.763
   91   2HB   SER  12          HB3       SER  12 -18.872  -4.346   4.263
   92    HG   SER  12           HG       SER  12 -19.483  -5.295   2.314
   93    H    ALA  13           H        ALA  13 -15.511  -6.189   4.876
   94    HA   ALA  13           HA       ALA  13 -14.828  -4.117   6.732
   95   1HB   ALA  13          HB1       ALA  13 -13.465  -6.798   6.192
   96   2HB   ALA  13          HB2       ALA  13 -13.200  -5.754   7.601
   97   3HB   ALA  13          HB3       ALA  13 -14.786  -6.508   7.352
   98    H    GLU  14           H        GLU  14 -13.155  -5.622   3.922
   99    HA   GLU  14           HA       GLU  14 -10.743  -4.173   4.250
  100   1HB   GLU  14          HB2       GLU  14 -12.005  -5.559   1.851
  101   2HB   GLU  14          HB3       GLU  14 -10.421  -4.796   1.757
  102   1HG   GLU  14          HG2       GLU  14 -11.190  -6.990   3.717
  103   2HG   GLU  14          HG3       GLU  14 -10.304  -7.235   2.211
  104    H    THR  15           H        THR  15 -13.717  -3.360   2.413
  105    HA   THR  15           HA       THR  15 -12.489  -1.023   1.281
  106    HB   THR  15           HB       THR  15 -14.846  -0.562   0.486
  107    HG1  THR  15           HG1      THR  15 -15.290  -3.218   1.356
  108   1HG2  THR  15          HG21      THR  15 -13.238  -1.610  -0.972
  109   2HG2  THR  15          HG22      THR  15 -13.433  -3.190  -0.194
  110   3HG2  THR  15          HG23      THR  15 -14.761  -2.481  -1.132
  111    H    SER  16           H        SER  16 -13.255  -1.518   4.434
  112    HA   SER  16           HA       SER  16 -14.403   1.187   4.843
  113   1HB   SER  16          HB2       SER  16 -14.515  -1.282   6.618
  114   2HB   SER  16          HB3       SER  16 -15.223   0.298   6.997
  115    HG   SER  16           HG       SER  16 -15.980  -1.585   5.055
  116    H    GLU  17           H        GLU  17 -11.562   0.755   4.386
  117    HA   GLU  17           HA       GLU  17 -10.582   1.889   6.972
  118   1HB   GLU  17          HB2       GLU  17  -9.112  -0.097   5.192
  119   2HB   GLU  17          HB3       GLU  17  -8.464   0.658   6.655
  120   1HG   GLU  17          HG2       GLU  17 -10.341  -0.404   7.962
  121   2HG   GLU  17          HG3       GLU  17 -10.760  -1.319   6.504
  122    H    GLY  18           H        GLY  18 -11.167   2.810   3.869
  123   1HA   GLY  18          HA2       GLY  18  -9.705   5.144   3.893
  124   2HA   GLY  18          HA3       GLY  18  -8.610   3.935   3.146
  125    H    VAL  19           H        VAL  19  -8.815   5.424   1.264
  126    HA   VAL  19           HA       VAL  19 -11.308   5.152  -0.287
  127    HB   VAL  19           HB       VAL  19  -8.610   6.126  -1.270
  128   1HG1  VAL  19          HG11      VAL  19 -10.534   5.699  -2.903
  129   2HG1  VAL  19          HG12      VAL  19 -11.469   6.924  -2.042
  130   3HG1  VAL  19          HG13      VAL  19  -9.973   7.379  -2.887
  131   1HG2  VAL  19          HG21      VAL  19  -9.382   8.468  -0.791
  132   2HG2  VAL  19          HG22      VAL  19 -10.676   7.802   0.209
  133   3HG2  VAL  19          HG23      VAL  19  -8.972   7.553   0.654
  134    H    VAL  20           H        VAL  20 -11.481   3.429  -1.806
  135    HA   VAL  20           HA       VAL  20  -9.182   1.574  -1.987
  136    HB   VAL  20           HB       VAL  20 -12.017   0.744  -1.232
  137   1HG1  VAL  20          HG11      VAL  20 -10.897  -1.480  -0.824
  138   2HG1  VAL  20          HG12      VAL  20 -10.932  -0.993  -2.520
  139   3HG1  VAL  20          HG13      VAL  20  -9.435  -0.826  -1.586
  140   1HG2  VAL  20          HG21      VAL  20 -11.269   1.624   0.783
  141   2HG2  VAL  20          HG22      VAL  20 -10.699  -0.035   0.936
  142   3HG2  VAL  20          HG23      VAL  20  -9.567   1.226   0.482
  143    H    LEU  21           H        LEU  21  -9.005   0.578  -3.920
  144    HA   LEU  21           HA       LEU  21 -11.088   1.122  -5.981
  145   1HB   LEU  21          HB2       LEU  21  -8.962   2.385  -6.270
  146   2HB   LEU  21          HB3       LEU  21  -8.049   0.887  -6.278
  147    HG   LEU  21           HG       LEU  21  -8.367   1.978  -8.469
  148   1HD1  LEU  21          HD11      LEU  21  -9.718  -0.732  -8.494
  149   2HD1  LEU  21          HD12      LEU  21  -8.795   0.056  -9.785
  150   3HD1  LEU  21          HD13      LEU  21  -7.971  -0.474  -8.315
  151   1HD2  LEU  21          HD21      LEU  21 -10.482   2.001  -9.632
  152   2HD2  LEU  21          HD22      LEU  21 -11.304   1.208  -8.272
  153   3HD2  LEU  21          HD23      LEU  21 -10.646   2.855  -8.093
  154    H    ALA  22           H        ALA  22 -12.205  -0.751  -5.878
  155    HA   ALA  22           HA       ALA  22 -10.825  -3.337  -5.578
  156   1HB   ALA  22          HB1       ALA  22 -13.751  -2.588  -5.874
  157   2HB   ALA  22          HB2       ALA  22 -13.142  -4.248  -5.751
  158   3HB   ALA  22          HB3       ALA  22 -12.920  -3.117  -4.393
  159    H    ASP  23           H        ASP  23 -10.983  -4.927  -7.222
  160    HA   ASP  23           HA       ASP  23 -11.620  -4.037 -10.002
  161   1HB   ASP  23          HB2       ASP  23  -9.237  -3.796  -9.816
  162   2HB   ASP  23          HB3       ASP  23  -9.085  -5.328  -8.959
  163    H    PHE  24           H        PHE  24 -13.407  -5.207 -10.234
  164    HA   PHE  24           HA       PHE  24 -13.643  -8.008  -9.424
  165   1HB   PHE  24          HB2       PHE  24 -15.448  -6.046 -10.853
  166   2HB   PHE  24          HB3       PHE  24 -15.748  -7.764 -10.916
  167    HD1  PHE  24           HD1      PHE  24 -16.203  -9.088  -8.843
  168    HD2  PHE  24           HD2      PHE  24 -15.830  -4.792  -8.756
  169    HE1  PHE  24           HE1      PHE  24 -17.276  -9.047  -6.616
  170    HE2  PHE  24           HE2      PHE  24 -16.864  -4.763  -6.494
  171    HZ   PHE  24           HZ       PHE  24 -17.578  -6.884  -5.425
  172    H    TRP  25           H        TRP  25 -12.626  -9.516 -10.586
  173    HA   TRP  25           HA       TRP  25 -12.135  -9.076 -13.486
  174   1HB   TRP  25          HB2       TRP  25  -9.845  -9.561 -13.295
  175   2HB   TRP  25          HB3       TRP  25 -10.173  -8.326 -12.100
  176    HD1  TRP  25           HD1      TRP  25 -10.562  -9.436  -9.508
  177    HE1  TRP  25           HE1      TRP  25  -9.248 -11.289  -8.331
  178    HE3  TRP  25           HE3      TRP  25  -8.279 -11.507 -13.594
  179    HZ2  TRP  25           HZ2      TRP  25  -7.350 -13.347  -9.058
  180    HZ3  TRP  25           HZ3      TRP  25  -6.681 -13.381 -13.309
  181    HH2  TRP  25           HH2      TRP  25  -6.246 -14.341 -11.066
  182    H    ALA  26           H        ALA  26 -11.063 -11.180 -14.408
  183    HA   ALA  26           HA       ALA  26 -11.642 -13.628 -13.004
  184   1HB   ALA  26          HB1       ALA  26 -12.952 -13.145 -15.724
  185   2HB   ALA  26          HB2       ALA  26 -12.994 -14.641 -14.766
  186   3HB   ALA  26          HB3       ALA  26 -13.829 -13.200 -14.176
  187    HA   PRO  27           HA       PRO  27  -7.835 -14.171 -15.013
  188   1HB   PRO  27          HB2       PRO  27  -7.385 -16.877 -14.946
  189   2HB   PRO  27          HB3       PRO  27  -7.477 -15.863 -13.476
  190   1HG   PRO  27          HG2       PRO  27  -9.666 -17.558 -14.708
  191   2HG   PRO  27          HG3       PRO  27  -9.159 -17.466 -12.988
  192   1HD   PRO  27          HD2       PRO  27 -11.292 -16.053 -13.985
  193   2HD   PRO  27          HD3       PRO  27 -10.242 -15.408 -12.680
  194    H    TRP  28           H        TRP  28 -10.569 -15.626 -16.651
  195    HA   TRP  28           HA       TRP  28  -9.002 -16.348 -19.018
  196   1HB   TRP  28          HB2       TRP  28 -11.349 -16.862 -19.895
  197   2HB   TRP  28          HB3       TRP  28 -10.705 -17.824 -18.588
  198    HD1  TRP  28           HD1      TRP  28 -12.633 -14.468 -18.196
  199    HE1  TRP  28           HE1      TRP  28 -14.729 -14.877 -16.820
  200    HE3  TRP  28           HE3      TRP  28 -12.193 -19.535 -17.552
  201    HZ2  TRP  28           HZ2      TRP  28 -16.021 -17.105 -15.488
  202    HZ3  TRP  28           HZ3      TRP  28 -13.864 -20.767 -16.197
  203    HH2  TRP  28           HH2      TRP  28 -15.778 -19.565 -15.159
  204    H    CYS  29           H        CYS  29 -10.043 -13.360 -17.821
  205    HA   CYS  29           HA       CYS  29 -10.970 -12.315 -20.428
  206   1HB   CYS  29          HB2       CYS  29 -12.195 -11.750 -18.345
  207   2HB   CYS  29          HB3       CYS  29 -10.720 -11.011 -17.695
  208    HG   CYS  29           HG       CYS  29 -12.413  -9.150 -18.487
  209    H    GLY  30           H        GLY  30  -9.435 -11.596 -21.828
  210   1HA   GLY  30          HA2       GLY  30  -6.696 -11.190 -21.306
  211   2HA   GLY  30          HA3       GLY  30  -7.598 -10.544 -22.684
  212    HA   PRO  31           HA       PRO  31  -7.664  -6.394 -21.052
  213   1HB   PRO  31          HB2       PRO  31 -10.524  -6.712 -20.145
  214   2HB   PRO  31          HB3       PRO  31  -9.753  -5.287 -20.914
  215   1HG   PRO  31          HG2       PRO  31 -11.199  -7.023 -22.404
  216   2HG   PRO  31          HG3       PRO  31  -9.616  -6.445 -23.017
  217   1HD   PRO  31          HD2       PRO  31 -10.290  -9.091 -21.749
  218   2HD   PRO  31          HD3       PRO  31  -9.178  -8.732 -23.094
  219    H    CYS  32           H        CYS  32  -9.161  -8.654 -18.618
  220    HA   CYS  32           HA       CYS  32  -8.415  -7.115 -16.340
  221   1HB   CYS  32          HB2       CYS  32  -8.668 -10.144 -16.640
  222   2HB   CYS  32          HB3       CYS  32  -8.455  -9.286 -15.116
  223    HG   CYS  32           HG       CYS  32 -10.562  -7.832 -15.213
  224    H    LYS  33           H        LYS  33  -6.492  -9.369 -18.365
  225    HA   LYS  33           HA       LYS  33  -4.166  -9.295 -16.604
  226   1HB   LYS  33          HB2       LYS  33  -4.263  -9.928 -19.588
  227   2HB   LYS  33          HB3       LYS  33  -2.959 -10.295 -18.465
  228   1HG   LYS  33          HG2       LYS  33  -4.406 -11.855 -17.228
  229   2HG   LYS  33          HG3       LYS  33  -5.772 -11.457 -18.284
  230   1HD   LYS  33          HD2       LYS  33  -4.413 -12.246 -20.257
  231   2HD   LYS  33          HD3       LYS  33  -3.198 -12.858 -19.125
  232   1HE   LYS  33          HE2       LYS  33  -6.160 -13.618 -19.127
  233   2HE   LYS  33          HE3       LYS  33  -4.907 -14.564 -19.936
  234   1HZ   LYS  33          HZ1       LYS  33  -5.589 -15.290 -17.662
  235   2HZ   LYS  33          HZ2       LYS  33  -3.960 -15.124 -17.861
  236   3HZ   LYS  33          HZ3       LYS  33  -4.828 -14.000 -17.036
  237    H    MET  34           H        MET  34  -5.258  -7.500 -19.534
  238    HA   MET  34           HA       MET  34  -2.852  -6.027 -19.836
  239   1HB   MET  34          HB2       MET  34  -5.675  -5.298 -20.723
  240   2HB   MET  34          HB3       MET  34  -4.200  -4.461 -21.215
  241   1HG   MET  34          HG2       MET  34  -3.317  -6.683 -22.057
  242   2HG   MET  34          HG3       MET  34  -4.932  -7.346 -21.827
  243   1HE   MET  34          HE1       MET  34  -6.905  -5.013 -22.810
  244   2HE   MET  34          HE2       MET  34  -7.042  -5.425 -24.529
  245   3HE   MET  34          HE3       MET  34  -7.035  -6.720 -23.314
  246    H    ILE  35           H        ILE  35  -5.759  -5.299 -17.835
  247    HA   ILE  35           HA       ILE  35  -4.661  -2.698 -17.143
  248    HB   ILE  35           HB       ILE  35  -7.099  -3.264 -17.361
  249   1HG1  ILE  35          HG12      ILE  35  -6.228  -1.837 -14.818
  250   2HG1  ILE  35          HG13      ILE  35  -6.215  -1.157 -16.448
  251   1HG2  ILE  35          HG21      ILE  35  -7.072  -5.339 -15.977
  252   2HG2  ILE  35          HG22      ILE  35  -6.855  -4.342 -14.525
  253   3HG2  ILE  35          HG23      ILE  35  -8.327  -4.198 -15.509
  254   1HD1  ILE  35          HD11      ILE  35  -8.718  -1.549 -16.550
  255   2HD1  ILE  35          HD12      ILE  35  -8.651  -1.979 -14.826
  256   3HD1  ILE  35          HD13      ILE  35  -8.176  -0.354 -15.358
  257    H    ALA  36           H        ALA  36  -4.020  -5.899 -15.942
  258    HA   ALA  36           HA       ALA  36  -3.619  -5.405 -13.234
  259   1HB   ALA  36          HB1       ALA  36  -1.991  -7.281 -14.986
  260   2HB   ALA  36          HB2       ALA  36  -2.146  -7.339 -13.225
  261   3HB   ALA  36          HB3       ALA  36  -3.564  -7.644 -14.247
  262    HA   PRO  37           HA       PRO  37   0.841  -3.887 -13.857
  263   1HB   PRO  37          HB2       PRO  37   1.598  -2.720 -16.258
  264   2HB   PRO  37          HB3       PRO  37   1.895  -4.428 -15.813
  265   1HG   PRO  37          HG2       PRO  37  -0.385  -3.300 -17.463
  266   2HG   PRO  37          HG3       PRO  37   0.652  -4.718 -17.826
  267   1HD   PRO  37          HD2       PRO  37  -1.779  -5.045 -16.732
  268   2HD   PRO  37          HD3       PRO  37  -0.410  -6.032 -16.161
  269    H    VAL  38           H        VAL  38  -1.909  -2.259 -15.472
  270    HA   VAL  38           HA       VAL  38  -1.049   0.399 -14.820
  271    HB   VAL  38           HB       VAL  38  -3.925  -0.528 -15.211
  272   1HG1  VAL  38          HG11      VAL  38  -2.531   2.115 -15.776
  273   2HG1  VAL  38          HG12      VAL  38  -4.257   1.761 -16.020
  274   3HG1  VAL  38          HG13      VAL  38  -3.586   1.794 -14.387
  275   1HG2  VAL  38          HG21      VAL  38  -3.638   0.058 -17.615
  276   2HG2  VAL  38          HG22      VAL  38  -1.888   0.228 -17.359
  277   3HG2  VAL  38          HG23      VAL  38  -2.678  -1.352 -17.171
  278    H    LEU  39           H        LEU  39  -3.042  -2.116 -13.181
  279    HA   LEU  39           HA       LEU  39  -3.631  -0.525 -10.887
  280   1HB   LEU  39          HB2       LEU  39  -3.550  -3.530 -11.314
  281   2HB   LEU  39          HB3       LEU  39  -4.076  -2.788  -9.810
  282    HG   LEU  39           HG       LEU  39  -5.374  -2.094 -12.481
  283   1HD1  LEU  39          HD11      LEU  39  -5.612  -4.492 -12.142
  284   2HD1  LEU  39          HD12      LEU  39  -6.219  -4.227 -10.482
  285   3HD1  LEU  39          HD13      LEU  39  -7.159  -3.679 -11.889
  286   1HD2  LEU  39          HD21      LEU  39  -7.250  -1.365 -11.082
  287   2HD2  LEU  39          HD22      LEU  39  -6.372  -1.837  -9.611
  288   3HD2  LEU  39          HD23      LEU  39  -5.786  -0.496 -10.614
  289    H    GLU  40           H        GLU  40  -0.850  -2.682 -11.668
  290    HA   GLU  40           HA       GLU  40   0.365  -2.368  -9.088
  291   1HB   GLU  40          HB2       GLU  40   1.538  -3.074 -11.802
  292   2HB   GLU  40          HB3       GLU  40   2.481  -3.022 -10.309
  293   1HG   GLU  40          HG2       GLU  40   0.962  -4.691  -9.273
  294   2HG   GLU  40          HG3       GLU  40   0.057  -4.809 -10.781
  295    H    GLU  41           H        GLU  41   0.570  -0.389 -12.078
  296    HA   GLU  41           HA       GLU  41   2.491   1.470 -11.064
  297   1HB   GLU  41          HB2       GLU  41   0.375   1.518 -13.218
  298   2HB   GLU  41          HB3       GLU  41   1.055   3.043 -12.685
  299   1HG   GLU  41          HG2       GLU  41   2.684   0.676 -13.693
  300   2HG   GLU  41          HG3       GLU  41   2.206   2.067 -14.667
  301    H    LEU  42           H        LEU  42  -1.101   1.355 -10.832
  302    HA   LEU  42           HA       LEU  42  -1.310   3.747  -9.312
  303   1HB   LEU  42          HB2       LEU  42  -3.067   1.488 -10.076
  304   2HB   LEU  42          HB3       LEU  42  -3.443   2.127  -8.499
  305    HG   LEU  42           HG       LEU  42  -4.778   3.148 -10.227
  306   1HD1  LEU  42          HD11      LEU  42  -2.909   5.237  -9.046
  307   2HD1  LEU  42          HD12      LEU  42  -4.606   5.432  -9.525
  308   3HD1  LEU  42          HD13      LEU  42  -4.193   4.403  -8.145
  309   1HD2  LEU  42          HD21      LEU  42  -2.224   4.423 -11.313
  310   2HD2  LEU  42          HD22      LEU  42  -3.131   3.120 -12.098
  311   3HD2  LEU  42          HD23      LEU  42  -3.876   4.714 -11.881
  312    H    ASP  43           H        ASP  43  -0.726   0.371  -8.294
  313    HA   ASP  43           HA       ASP  43  -0.934   0.879  -5.496
  314   1HB   ASP  43          HB2       ASP  43  -0.933  -1.391  -6.260
  315   2HB   ASP  43          HB3       ASP  43   0.638  -1.200  -7.046
  316    H    GLN  44           H        GLN  44   1.818   1.159  -7.803
  317    HA   GLN  44           HA       GLN  44   3.725   1.942  -5.815
  318   1HB   GLN  44          HB2       GLN  44   3.547   2.211  -8.825
  319   2HB   GLN  44          HB3       GLN  44   4.929   2.849  -7.923
  320   1HG   GLN  44          HG2       GLN  44   5.560   0.683  -7.127
  321   2HG   GLN  44          HG3       GLN  44   4.034  -0.045  -7.621
  322   1HE2  GLN  44          HE22      GLN  44   3.579  -0.337  -9.880
  323   2HE2  GLN  44          HE21      GLN  44   4.884  -0.428 -11.063
  324    H    GLU  45           H        GLU  45   1.482   3.799  -7.858
  325    HA   GLU  45           HA       GLU  45   2.615   6.356  -7.136
  326   1HB   GLU  45          HB2       GLU  45   1.531   5.606  -9.340
  327   2HB   GLU  45          HB3       GLU  45  -0.023   5.717  -8.529
  328   1HG   GLU  45          HG2       GLU  45   0.262   7.725  -9.753
  329   2HG   GLU  45          HG3       GLU  45   0.518   8.173  -8.070
  330    H    MET  46           H        MET  46  -0.266   4.522  -6.147
  331    HA   MET  46           HA       MET  46  -1.062   6.641  -4.207
  332   1HB   MET  46          HB2       MET  46  -2.869   4.971  -5.990
  333   2HB   MET  46          HB3       MET  46  -3.381   6.213  -4.857
  334   1HG   MET  46          HG2       MET  46  -1.708   6.738  -7.345
  335   2HG   MET  46          HG3       MET  46  -3.446   6.899  -7.239
  336   1HE   MET  46          HE1       MET  46  -3.660   9.297  -8.063
  337   2HE   MET  46          HE2       MET  46  -2.608  10.627  -7.537
  338   3HE   MET  46          HE3       MET  46  -1.917   9.252  -8.426
  339    H    GLY  47           H        GLY  47  -0.206   3.314  -4.514
  340   1HA   GLY  47          HA2       GLY  47  -2.177   1.962  -3.133
  341   2HA   GLY  47          HA3       GLY  47  -0.489   1.503  -3.183
  342    H    ASP  48           H        ASP  48   0.071   4.192  -1.812
  343    HA   ASP  48           HA       ASP  48   0.299   3.124   0.872
  344   1HB   ASP  48          HB2       ASP  48   1.703   5.016   1.281
  345   2HB   ASP  48          HB3       ASP  48   2.135   4.381  -0.304
  346    H    LYS  49           H        LYS  49  -1.852   5.215  -0.882
  347    HA   LYS  49           HA       LYS  49  -3.213   6.091   1.566
  348   1HB   LYS  49          HB2       LYS  49  -3.494   8.289   0.476
  349   2HB   LYS  49          HB3       LYS  49  -1.801   7.821   0.707
  350   1HG   LYS  49          HG2       LYS  49  -1.727   7.103  -1.707
  351   2HG   LYS  49          HG3       LYS  49  -3.328   7.802  -1.926
  352   1HD   LYS  49          HD2       LYS  49  -2.515  10.007  -1.504
  353   2HD   LYS  49          HD3       LYS  49  -1.001   9.434  -0.797
  354   1HE   LYS  49          HE2       LYS  49  -1.740   8.824  -3.672
  355   2HE   LYS  49          HE3       LYS  49  -0.962  10.348  -3.243
  356   1HZ   LYS  49          HZ1       LYS  49   0.259   7.756  -2.475
  357   2HZ   LYS  49          HZ2       LYS  49   0.549   8.444  -3.936
  358   3HZ   LYS  49          HZ3       LYS  49   0.957   9.227  -2.551
  359    H    LEU  50           H        LEU  50  -3.520   4.266  -1.213
  360    HA   LEU  50           HA       LEU  50  -6.421   4.206  -0.894
  361   1HB   LEU  50          HB2       LEU  50  -6.314   5.619  -2.747
  362   2HB   LEU  50          HB3       LEU  50  -4.891   4.830  -3.414
  363    HG   LEU  50           HG       LEU  50  -6.949   2.829  -3.441
  364   1HD1  LEU  50          HD11      LEU  50  -8.738   3.867  -4.697
  365   2HD1  LEU  50          HD12      LEU  50  -8.560   4.607  -3.115
  366   3HD1  LEU  50          HD13      LEU  50  -7.963   5.457  -4.549
  367   1HD2  LEU  50          HD21      LEU  50  -5.785   4.483  -5.691
  368   2HD2  LEU  50          HD22      LEU  50  -5.113   2.983  -5.027
  369   3HD2  LEU  50          HD23      LEU  50  -6.670   2.955  -5.862
  370    H    LYS  51           H        LYS  51  -6.953   2.113  -0.550
  371    HA   LYS  51           HA       LYS  51  -4.946  -0.010  -0.902
  372   1HB   LYS  51          HB2       LYS  51  -6.552   0.162   1.032
  373   2HB   LYS  51          HB3       LYS  51  -7.880  -0.146  -0.087
  374   1HG   LYS  51          HG2       LYS  51  -6.822  -2.374  -0.639
  375   2HG   LYS  51          HG3       LYS  51  -5.600  -2.051   0.596
  376   1HD   LYS  51          HD2       LYS  51  -8.619  -2.235   1.041
  377   2HD   LYS  51          HD3       LYS  51  -7.445  -3.512   1.381
  378   1HE   LYS  51          HE2       LYS  51  -6.322  -2.036   3.049
  379   2HE   LYS  51          HE3       LYS  51  -7.541  -0.775   2.757
  380   1HZ   LYS  51          HZ1       LYS  51  -8.030  -2.266   4.700
  381   2HZ   LYS  51          HZ2       LYS  51  -9.219  -2.241   3.556
  382   3HZ   LYS  51          HZ3       LYS  51  -8.198  -3.522   3.664
  383    H    ILE  52           H        ILE  52  -5.252  -1.848  -2.403
  384    HA   ILE  52           HA       ILE  52  -7.272  -1.391  -4.529
  385    HB   ILE  52           HB       ILE  52  -4.451  -2.439  -4.970
  386   1HG1  ILE  52          HG12      ILE  52  -5.763   0.247  -5.563
  387   2HG1  ILE  52          HG13      ILE  52  -4.327  -0.069  -4.584
  388   1HG2  ILE  52          HG21      ILE  52  -6.667  -1.910  -6.990
  389   2HG2  ILE  52          HG22      ILE  52  -5.030  -2.511  -7.346
  390   3HG2  ILE  52          HG23      ILE  52  -6.147  -3.518  -6.451
  391   1HD1  ILE  52          HD11      ILE  52  -3.135  -0.799  -6.673
  392   2HD1  ILE  52          HD12      ILE  52  -4.533  -0.186  -7.597
  393   3HD1  ILE  52          HD13      ILE  52  -3.593   0.915  -6.571
  394    H    VAL  53           H        VAL  53  -8.570  -3.204  -4.855
  395    HA   VAL  53           HA       VAL  53  -7.802  -5.650  -3.299
  396    HB   VAL  53           HB       VAL  53 -10.534  -4.305  -3.304
  397   1HG1  VAL  53          HG11      VAL  53  -9.533  -6.727  -1.741
  398   2HG1  VAL  53          HG12      VAL  53 -11.120  -5.940  -1.560
  399   3HG1  VAL  53          HG13      VAL  53 -10.716  -6.759  -3.070
  400   1HG2  VAL  53          HG21      VAL  53 -10.153  -3.834  -0.931
  401   2HG2  VAL  53          HG22      VAL  53  -8.518  -4.531  -1.025
  402   3HG2  VAL  53          HG23      VAL  53  -8.911  -3.044  -1.906
  403    H    LYS  54           H        LYS  54  -7.592  -7.256  -4.738
  404    HA   LYS  54           HA       LYS  54  -9.133  -7.436  -7.222
  405   1HB   LYS  54          HB2       LYS  54  -7.347  -9.393  -5.669
  406   2HB   LYS  54          HB3       LYS  54  -8.045  -9.748  -7.242
  407   1HG   LYS  54          HG2       LYS  54  -6.070  -7.502  -6.683
  408   2HG   LYS  54          HG3       LYS  54  -5.706  -9.077  -7.408
  409   1HD   LYS  54          HD2       LYS  54  -7.432  -8.543  -9.203
  410   2HD   LYS  54          HD3       LYS  54  -7.478  -6.884  -8.552
  411   1HE   LYS  54          HE2       LYS  54  -5.245  -6.455  -9.097
  412   2HE   LYS  54          HE3       LYS  54  -4.869  -8.186  -9.305
  413   1HZ   LYS  54          HZ1       LYS  54  -6.780  -6.771 -11.076
  414   2HZ   LYS  54          HZ2       LYS  54  -5.166  -6.920 -11.439
  415   3HZ   LYS  54          HZ3       LYS  54  -6.116  -8.241 -11.302
  416    H    ILE  55           H        ILE  55 -11.034  -8.593  -7.564
  417    HA   ILE  55           HA       ILE  55 -11.734 -10.691  -5.634
  418    HB   ILE  55           HB       ILE  55 -12.738  -8.855  -4.553
  419   1HG1  ILE  55          HG12      ILE  55 -15.012 -10.167  -6.074
  420   2HG1  ILE  55          HG13      ILE  55 -14.027 -10.997  -4.864
  421   1HG2  ILE  55          HG21      ILE  55 -14.387  -7.309  -5.626
  422   2HG2  ILE  55          HG22      ILE  55 -12.747  -7.120  -6.234
  423   3HG2  ILE  55          HG23      ILE  55 -13.948  -7.996  -7.194
  424   1HD1  ILE  55          HD11      ILE  55 -15.728  -8.533  -4.315
  425   2HD1  ILE  55          HD12      ILE  55 -16.077 -10.195  -3.829
  426   3HD1  ILE  55          HD13      ILE  55 -14.680  -9.365  -3.141
  427    H    ASP  56           H        ASP  56 -12.632 -12.427  -6.670
  428    HA   ASP  56           HA       ASP  56 -12.794 -12.290  -9.609
  429   1HB   ASP  56          HB2       ASP  56 -11.537 -14.101  -8.594
  430   2HB   ASP  56          HB3       ASP  56 -12.931 -14.590  -7.631
  431    H    VAL  57           H        VAL  57 -14.749 -12.236 -10.734
  432    HA   VAL  57           HA       VAL  57 -17.127 -11.719  -9.258
  433    HB   VAL  57           HB       VAL  57 -18.277 -11.857 -11.512
  434   1HG1  VAL  57          HG11      VAL  57 -17.449  -9.765 -10.588
  435   2HG1  VAL  57          HG12      VAL  57 -15.843 -10.057 -11.310
  436   3HG1  VAL  57          HG13      VAL  57 -17.281  -9.795 -12.334
  437   1HG2  VAL  57          HG21      VAL  57 -16.939 -11.946 -13.546
  438   2HG2  VAL  57          HG22      VAL  57 -15.459 -12.251 -12.622
  439   3HG2  VAL  57          HG23      VAL  57 -16.757 -13.461 -12.665
  440    H    ASP  58           H        ASP  58 -15.961 -14.824 -10.539
  441    HA   ASP  58           HA       ASP  58 -18.679 -15.953 -10.623
  442   1HB   ASP  58          HB2       ASP  58 -17.005 -16.730 -12.240
  443   2HB   ASP  58          HB3       ASP  58 -15.949 -17.264 -10.928
  444    H    GLU  59           H        GLU  59 -15.809 -15.978  -8.525
  445    HA   GLU  59           HA       GLU  59 -16.969 -17.733  -6.522
  446   1HB   GLU  59          HB2       GLU  59 -14.645 -15.767  -6.537
  447   2HB   GLU  59          HB3       GLU  59 -15.053 -16.735  -5.125
  448   1HG   GLU  59          HG2       GLU  59 -14.349 -17.924  -7.845
  449   2HG   GLU  59          HG3       GLU  59 -13.201 -17.656  -6.543
  450    H    ASN  60           H        ASN  60 -17.582 -14.402  -7.328
  451    HA   ASN  60           HA       ASN  60 -18.782 -13.895  -4.642
  452   1HB   ASN  60          HB2       ASN  60 -16.871 -12.010  -6.072
  453   2HB   ASN  60          HB3       ASN  60 -17.737 -11.693  -4.584
  454   1HD2  ASN  60          HD22      ASN  60 -15.019 -13.340  -5.974
  455   2HD2  ASN  60          HD21      ASN  60 -14.339 -13.942  -4.461
  456    H    GLN  61           H        GLN  61 -20.383 -14.607  -6.657
  457    HA   GLN  61           HA       GLN  61 -21.282 -12.628  -8.430
  458   1HB   GLN  61          HB2       GLN  61 -23.374 -14.371  -7.261
  459   2HB   GLN  61          HB3       GLN  61 -22.946 -14.082  -8.933
  460   1HG   GLN  61          HG2       GLN  61 -22.606 -16.385  -8.582
  461   2HG   GLN  61          HG3       GLN  61 -20.987 -15.701  -8.569
  462   1HE2  GLN  61          HE22      GLN  61 -19.839 -16.968  -7.062
  463   2HE2  GLN  61          HE21      GLN  61 -20.365 -17.228  -5.406
  464    H    GLU  62           H        GLU  62 -22.079 -13.316  -5.036
  465    HA   GLU  62           HA       GLU  62 -24.237 -11.534  -4.709
  466   1HB   GLU  62          HB2       GLU  62 -22.172 -12.689  -2.789
  467   2HB   GLU  62          HB3       GLU  62 -23.599 -11.779  -2.249
  468   1HG   GLU  62          HG2       GLU  62 -25.072 -13.438  -3.400
  469   2HG   GLU  62          HG3       GLU  62 -23.649 -14.386  -3.832
  470    H    THR  63           H        THR  63 -20.716 -10.903  -4.600
  471    HA   THR  63           HA       THR  63 -21.168  -8.271  -3.467
  472    HB   THR  63           HB       THR  63 -18.560  -8.990  -4.641
  473    HG1  THR  63           HG1      THR  63 -19.705 -10.200  -2.355
  474   1HG2  THR  63          HG21      THR  63 -17.648  -7.944  -2.666
  475   2HG2  THR  63          HG22      THR  63 -18.891  -6.882  -3.347
  476   3HG2  THR  63          HG23      THR  63 -19.248  -7.860  -1.904
  477    H    ALA  64           H        ALA  64 -20.157  -9.664  -6.651
  478    HA   ALA  64           HA       ALA  64 -19.879  -7.123  -7.902
  479   1HB   ALA  64          HB1       ALA  64 -19.915  -8.418  -9.982
  480   2HB   ALA  64          HB2       ALA  64 -19.042  -9.358  -8.765
  481   3HB   ALA  64          HB3       ALA  64 -20.716  -9.787  -9.169
  482    H    GLY  65           H        GLY  65 -22.687  -9.379  -7.727
  483   1HA   GLY  65          HA2       GLY  65 -24.582  -7.816  -9.102
  484   2HA   GLY  65          HA3       GLY  65 -24.920  -9.040  -7.863
  485    H    LYS  66           H        LYS  66 -23.254  -7.422  -5.854
  486    HA   LYS  66           HA       LYS  66 -25.318  -5.908  -4.644
  487   1HB   LYS  66          HB2       LYS  66 -22.878  -6.894  -3.857
  488   2HB   LYS  66          HB3       LYS  66 -22.470  -5.200  -4.033
  489   1HG   LYS  66          HG2       LYS  66 -24.428  -4.664  -2.512
  490   2HG   LYS  66          HG3       LYS  66 -24.683  -6.400  -2.304
  491   1HD   LYS  66          HD2       LYS  66 -22.246  -4.766  -1.509
  492   2HD   LYS  66          HD3       LYS  66 -23.418  -5.501  -0.417
  493   1HE   LYS  66          HE2       LYS  66 -21.308  -6.872  -2.116
  494   2HE   LYS  66          HE3       LYS  66 -21.360  -6.759  -0.365
  495   1HZ   LYS  66          HZ1       LYS  66 -23.201  -8.387  -2.039
  496   2HZ   LYS  66          HZ2       LYS  66 -22.027  -8.939  -1.050
  497   3HZ   LYS  66          HZ3       LYS  66 -23.339  -8.198  -0.403
  498    H    TYR  67           H        TYR  67 -23.042  -5.053  -7.187
  499    HA   TYR  67           HA       TYR  67 -23.977  -2.221  -7.063
  500   1HB   TYR  67          HB2       TYR  67 -21.391  -3.063  -8.351
  501   2HB   TYR  67          HB3       TYR  67 -21.859  -1.484  -7.738
  502    HD1  TYR  67           HD1      TYR  67 -22.258  -1.391  -5.061
  503    HD2  TYR  67           HD2      TYR  67 -20.033  -4.471  -7.107
  504    HE1  TYR  67           HE1      TYR  67 -21.234  -2.077  -2.916
  505    HE2  TYR  67           HE2      TYR  67 -19.050  -5.193  -5.001
  506    HH   TYR  67           HH       TYR  67 -18.939  -4.815  -2.659
  507    H    GLY  68           H        GLY  68 -24.896  -4.866  -8.564
  508   1HA   GLY  68          HA2       GLY  68 -25.912  -5.300 -10.547
  509   2HA   GLY  68          HA3       GLY  68 -25.745  -3.591 -10.979
  510    H    VAL  69           H        VAL  69 -22.998  -5.768 -10.213
  511    HA   VAL  69           HA       VAL  69 -22.001  -5.506 -13.023
  512    HB   VAL  69           HB       VAL  69 -20.538  -5.775 -10.356
  513   1HG1  VAL  69          HG11      VAL  69 -19.277  -6.956 -12.098
  514   2HG1  VAL  69          HG12      VAL  69 -19.369  -5.525 -13.154
  515   3HG1  VAL  69          HG13      VAL  69 -18.468  -5.474 -11.620
  516   1HG2  VAL  69          HG21      VAL  69 -20.688  -3.436 -12.317
  517   2HG2  VAL  69          HG22      VAL  69 -21.421  -3.490 -10.709
  518   3HG2  VAL  69          HG23      VAL  69 -19.670  -3.508 -10.863
  519    H    MET  70           H        MET  70 -21.568  -7.360 -14.109
  520    HA   MET  70           HA       MET  70 -20.767  -9.727 -12.706
  521   1HB   MET  70          HB2       MET  70 -23.393  -9.828 -12.851
  522   2HB   MET  70          HB3       MET  70 -23.135 -10.169 -14.561
  523   1HG   MET  70          HG2       MET  70 -23.358 -12.244 -13.298
  524   2HG   MET  70          HG3       MET  70 -21.716 -12.123 -13.915
  525   1HE   MET  70          HE1       MET  70 -22.281 -14.304 -11.810
  526   2HE   MET  70          HE2       MET  70 -20.649 -13.907 -12.398
  527   3HE   MET  70          HE3       MET  70 -20.952 -14.054 -10.655
  528    H    SER  71           H        SER  71 -19.609  -7.757 -14.422
  529    HA   SER  71           HA       SER  71 -18.680  -9.354 -16.684
  530   1HB   SER  71          HB2       SER  71 -19.555  -6.438 -16.907
  531   2HB   SER  71          HB3       SER  71 -18.892  -7.443 -18.206
  532    HG   SER  71           HG       SER  71 -21.180  -7.280 -18.295
  533    H    ILE  72           H        ILE  72 -16.528  -8.476 -17.431
  534    HA   ILE  72           HA       ILE  72 -15.127  -6.939 -15.351
  535    HB   ILE  72           HB       ILE  72 -13.466  -8.631 -15.063
  536   1HG1  ILE  72          HG12      ILE  72 -13.518  -9.824 -17.191
  537   2HG1  ILE  72          HG13      ILE  72 -13.463 -10.847 -15.784
  538   1HG2  ILE  72          HG21      ILE  72 -15.349  -8.575 -13.514
  539   2HG2  ILE  72          HG22      ILE  72 -16.191  -9.806 -14.469
  540   3HG2  ILE  72          HG23      ILE  72 -14.666 -10.202 -13.670
  541   1HD1  ILE  72          HD11      ILE  72 -15.870 -11.408 -16.070
  542   2HD1  ILE  72          HD12      ILE  72 -15.908 -10.396 -17.538
  543   3HD1  ILE  72          HD13      ILE  72 -14.882 -11.832 -17.473
  544    HA   PRO  73           HA       PRO  73 -12.699  -6.637 -14.978
  545   1HB   PRO  73          HB2       PRO  73 -11.198  -4.367 -15.434
  546   2HB   PRO  73          HB3       PRO  73 -10.584  -6.025 -15.629
  547   1HG   PRO  73          HG2       PRO  73 -11.564  -4.128 -17.748
  548   2HG   PRO  73          HG3       PRO  73 -10.178  -5.264 -17.814
  549   1HD   PRO  73          HD2       PRO  73 -12.612  -5.805 -18.972
  550   2HD   PRO  73          HD3       PRO  73 -11.566  -7.079 -18.278
  551    H    THR  74           H        THR  74 -13.735  -5.392 -13.461
  552    HA   THR  74           HA       THR  74 -14.978  -2.846 -14.328
  553    HB   THR  74           HB       THR  74 -16.390  -5.022 -12.741
  554    HG1  THR  74           HG1      THR  74 -17.113  -5.504 -14.607
  555   1HG2  THR  74          HG21      THR  74 -18.315  -3.313 -12.906
  556   2HG2  THR  74          HG22      THR  74 -17.024  -2.933 -11.748
  557   3HG2  THR  74          HG23      THR  74 -17.086  -2.110 -13.313
  558    H    LEU  75           H        LEU  75 -14.199  -1.316 -13.112
  559    HA   LEU  75           HA       LEU  75 -12.786  -1.995 -10.596
  560   1HB   LEU  75          HB2       LEU  75 -12.857   0.609 -12.169
  561   2HB   LEU  75          HB3       LEU  75 -11.927   0.295 -10.705
  562    HG   LEU  75           HG       LEU  75 -11.527  -1.032 -13.422
  563   1HD1  LEU  75          HD11      LEU  75  -9.364   0.157 -13.377
  564   2HD1  LEU  75          HD12      LEU  75 -10.720   1.290 -13.265
  565   3HD1  LEU  75          HD13      LEU  75  -9.786   0.872 -11.812
  566   1HD2  LEU  75          HD21      LEU  75 -10.111  -1.580 -10.793
  567   2HD2  LEU  75          HD22      LEU  75 -10.999  -2.720 -11.819
  568   3HD2  LEU  75          HD23      LEU  75  -9.472  -2.050 -12.386
  569    H    LEU  76           H        LEU  76 -13.445  -1.062  -8.694
  570    HA   LEU  76           HA       LEU  76 -16.107   0.288  -8.602
  571   1HB   LEU  76          HB2       LEU  76 -15.348  -2.387  -7.650
  572   2HB   LEU  76          HB3       LEU  76 -15.642  -1.346  -6.280
  573    HG   LEU  76           HG       LEU  76 -17.605  -2.634  -6.883
  574   1HD1  LEU  76          HD11      LEU  76 -17.972   0.343  -7.318
  575   2HD1  LEU  76          HD12      LEU  76 -19.245  -0.814  -6.904
  576   3HD1  LEU  76          HD13      LEU  76 -17.930  -0.513  -5.762
  577   1HD2  LEU  76          HD21      LEU  76 -18.872  -2.183  -8.938
  578   2HD2  LEU  76          HD22      LEU  76 -17.583  -1.108  -9.508
  579   3HD2  LEU  76          HD23      LEU  76 -17.264  -2.839  -9.299
  580    H    VAL  77           H        VAL  77 -15.929   2.160  -7.336
  581    HA   VAL  77           HA       VAL  77 -13.308   2.501  -5.935
  582    HB   VAL  77           HB       VAL  77 -15.006   4.778  -6.957
  583   1HG1  VAL  77          HG11      VAL  77 -13.232   5.245  -5.292
  584   2HG1  VAL  77          HG12      VAL  77 -12.030   4.479  -6.348
  585   3HG1  VAL  77          HG13      VAL  77 -12.844   5.971  -6.857
  586   1HG2  VAL  77          HG21      VAL  77 -12.851   3.351  -8.562
  587   2HG2  VAL  77          HG22      VAL  77 -14.556   3.532  -9.005
  588   3HG2  VAL  77          HG23      VAL  77 -13.516   4.954  -8.937
  589    H    LEU  78           H        LEU  78 -13.526   2.650  -3.809
  590    HA   LEU  78           HA       LEU  78 -16.165   3.381  -2.613
  591   1HB   LEU  78          HB2       LEU  78 -14.390   1.058  -1.746
  592   2HB   LEU  78          HB3       LEU  78 -15.803   1.663  -0.895
  593    HG   LEU  78           HG       LEU  78 -16.885   1.183  -3.393
  594   1HD1  LEU  78          HD11      LEU  78 -14.832  -1.006  -2.940
  595   2HD1  LEU  78          HD12      LEU  78 -16.168  -1.044  -4.105
  596   3HD1  LEU  78          HD13      LEU  78 -14.870   0.148  -4.282
  597   1HD2  LEU  78          HD21      LEU  78 -17.857   0.501  -1.235
  598   2HD2  LEU  78          HD22      LEU  78 -17.932  -0.779  -2.447
  599   3HD2  LEU  78          HD23      LEU  78 -16.712  -0.855  -1.150
  600    H    LYS  79           H        LYS  79 -15.925   4.133  -0.362
  601    HA   LYS  79           HA       LYS  79 -13.207   4.806   0.520
  602   1HB   LYS  79          HB2       LYS  79 -13.841   6.715  -0.907
  603   2HB   LYS  79          HB3       LYS  79 -15.352   6.917  -0.008
  604   1HG   LYS  79          HG2       LYS  79 -14.141   7.532   2.013
  605   2HG   LYS  79          HG3       LYS  79 -12.588   7.125   1.262
  606   1HD   LYS  79          HD2       LYS  79 -12.958   8.908  -0.441
  607   2HD   LYS  79          HD3       LYS  79 -14.480   9.349   0.335
  608   1HE   LYS  79          HE2       LYS  79 -11.731   9.447   1.675
  609   2HE   LYS  79          HE3       LYS  79 -12.508  10.821   0.889
  610   1HZ   LYS  79          HZ1       LYS  79 -14.315  10.657   2.501
  611   2HZ   LYS  79          HZ2       LYS  79 -13.583   9.402   3.259
  612   3HZ   LYS  79          HZ3       LYS  79 -12.889  10.873   3.251
  613    H    ASP  80           H        ASP  80 -13.116   4.359   2.656
  614    HA   ASP  80           HA       ASP  80 -13.769   3.664   4.674
  615   1HB   ASP  80          HB2       ASP  80 -13.615   6.127   4.798
  616   2HB   ASP  80          HB3       ASP  80 -15.356   6.248   4.535
  617    H    GLY  81           H        GLY  81 -15.353   2.336   2.733
  618   1HA   GLY  81          HA2       GLY  81 -16.709   0.557   3.271
  619   2HA   GLY  81          HA3       GLY  81 -17.526   1.484   4.527
  620    H    GLU  82           H        GLU  82 -17.538   3.454   1.711
  621    HA   GLU  82           HA       GLU  82 -20.042   2.192   0.723
  622   1HB   GLU  82          HB2       GLU  82 -21.168   4.226   0.762
  623   2HB   GLU  82          HB3       GLU  82 -20.348   4.108   2.325
  624   1HG   GLU  82          HG2       GLU  82 -18.596   5.671   1.515
  625   2HG   GLU  82          HG3       GLU  82 -19.436   5.814  -0.031
  626    H    VAL  83           H        VAL  83 -20.462   2.435  -1.479
  627    HA   VAL  83           HA       VAL  83 -18.171   2.790  -3.224
  628    HB   VAL  83           HB       VAL  83 -19.860   1.063  -3.580
  629   1HG1  VAL  83          HG11      VAL  83 -21.918   2.207  -2.848
  630   2HG1  VAL  83          HG12      VAL  83 -21.821   3.290  -4.255
  631   3HG1  VAL  83          HG13      VAL  83 -22.075   1.548  -4.479
  632   1HG2  VAL  83          HG21      VAL  83 -20.112   1.345  -5.973
  633   2HG2  VAL  83          HG22      VAL  83 -19.766   3.078  -5.852
  634   3HG2  VAL  83          HG23      VAL  83 -18.512   1.883  -5.441
  635    H    VAL  84           H        VAL  84 -17.689   4.351  -4.518
  636    HA   VAL  84           HA       VAL  84 -19.285   6.836  -4.515
  637    HB   VAL  84           HB       VAL  84 -17.221   8.148  -4.387
  638   1HG1  VAL  84          HG11      VAL  84 -17.471   6.285  -1.985
  639   2HG1  VAL  84          HG12      VAL  84 -16.813   7.931  -2.006
  640   3HG1  VAL  84          HG13      VAL  84 -18.534   7.666  -2.327
  641   1HG2  VAL  84          HG21      VAL  84 -15.767   5.569  -3.660
  642   2HG2  VAL  84          HG22      VAL  84 -15.574   6.457  -5.192
  643   3HG2  VAL  84          HG23      VAL  84 -15.094   7.203  -3.665
  644    H    GLU  85           H        GLU  85 -17.499   4.407  -6.387
  645    HA   GLU  85           HA       GLU  85 -18.783   5.578  -8.692
  646   1HB   GLU  85          HB2       GLU  85 -16.037   6.392  -8.234
  647   2HB   GLU  85          HB3       GLU  85 -16.062   5.359  -9.647
  648   1HG   GLU  85          HG2       GLU  85 -17.837   7.813  -9.290
  649   2HG   GLU  85          HG3       GLU  85 -16.290   7.795 -10.114
  650    H    THR  86           H        THR  86 -18.304   4.272 -10.735
  651    HA   THR  86           HA       THR  86 -17.033   1.653 -10.373
  652    HB   THR  86           HB       THR  86 -19.951   2.036 -11.175
  653    HG1  THR  86           HG1      THR  86 -18.959   1.708  -8.907
  654   1HG2  THR  86          HG21      THR  86 -19.982  -0.498 -11.394
  655   2HG2  THR  86          HG22      THR  86 -19.212   0.392 -12.713
  656   3HG2  THR  86          HG23      THR  86 -18.207  -0.422 -11.509
  657    H    SER  87           H        SER  87 -16.171   0.919 -12.370
  658    HA   SER  87           HA       SER  87 -16.711   2.448 -14.853
  659   1HB   SER  87          HB2       SER  87 -13.908   2.088 -13.699
  660   2HB   SER  87          HB3       SER  87 -14.344   2.937 -15.187
  661    HG   SER  87           HG       SER  87 -15.506   4.440 -13.844
  662    H    VAL  88           H        VAL  88 -16.038   1.193 -16.766
  663    HA   VAL  88           HA       VAL  88 -15.483  -1.682 -16.158
  664    HB   VAL  88           HB       VAL  88 -17.527  -0.572 -18.122
  665   1HG1  VAL  88          HG11      VAL  88 -18.306  -2.943 -18.246
  666   2HG1  VAL  88          HG12      VAL  88 -16.670  -2.747 -18.862
  667   3HG1  VAL  88          HG13      VAL  88 -16.927  -3.432 -17.240
  668   1HG2  VAL  88          HG21      VAL  88 -18.368  -0.224 -15.829
  669   2HG2  VAL  88          HG22      VAL  88 -19.256  -1.520 -16.620
  670   3HG2  VAL  88          HG23      VAL  88 -18.002  -1.919 -15.432
  671    H    GLY  89           H        GLY  89 -14.266  -2.782 -17.689
  672   1HA   GLY  89          HA2       GLY  89 -13.043  -3.146 -19.616
  673   2HA   GLY  89          HA3       GLY  89 -13.501  -1.557 -20.236
  674    H    PHE  90           H        PHE  90 -11.044  -2.016 -20.752
  675    HA   PHE  90           HA       PHE  90  -9.055  -1.539 -18.754
  676   1HB   PHE  90          HB2       PHE  90  -8.582  -2.577 -20.929
  677   2HB   PHE  90          HB3       PHE  90  -9.074  -1.110 -21.769
  678    HD1  PHE  90           HD1      PHE  90  -6.452  -2.632 -19.604
  679    HD2  PHE  90           HD2      PHE  90  -7.579   0.796 -21.976
  680    HE1  PHE  90           HE1      PHE  90  -4.133  -1.751 -19.455
  681    HE2  PHE  90           HE2      PHE  90  -5.260   1.665 -21.816
  682    HZ   PHE  90           HZ       PHE  90  -3.537   0.395 -20.549
  683    H    LYS  91           H        LYS  91  -7.837   0.392 -18.351
  684    HA   LYS  91           HA       LYS  91  -8.636   2.873 -19.599
  685   1HB   LYS  91          HB2       LYS  91  -8.963   2.430 -16.594
  686   2HB   LYS  91          HB3       LYS  91  -8.357   3.968 -17.187
  687   1HG   LYS  91          HG2       LYS  91 -10.502   4.569 -17.269
  688   2HG   LYS  91          HG3       LYS  91 -10.447   3.805 -18.846
  689   1HD   LYS  91          HD2       LYS  91 -11.219   1.626 -17.488
  690   2HD   LYS  91          HD3       LYS  91 -11.622   2.800 -16.235
  691   1HE   LYS  91          HE2       LYS  91 -13.640   2.704 -17.411
  692   2HE   LYS  91          HE3       LYS  91 -12.851   4.096 -18.159
  693   1HZ   LYS  91          HZ1       LYS  91 -13.366   1.441 -19.229
  694   2HZ   LYS  91          HZ2       LYS  91 -13.474   2.882 -19.984
  695   3HZ   LYS  91          HZ3       LYS  91 -11.995   2.176 -19.767
  696    HA   PRO  92           HA       PRO  92  -4.185   3.126 -19.228
  697   1HB   PRO  92          HB2       PRO  92  -3.749   5.760 -19.797
  698   2HB   PRO  92          HB3       PRO  92  -4.325   4.598 -21.033
  699   1HG   PRO  92          HG2       PRO  92  -5.980   6.534 -19.392
  700   2HG   PRO  92          HG3       PRO  92  -6.019   6.272 -21.165
  701   1HD   PRO  92          HD2       PRO  92  -7.784   5.052 -19.464
  702   2HD   PRO  92          HD3       PRO  92  -7.176   4.237 -20.935
  703    H    LYS  93           H        LYS  93  -2.537   4.189 -17.843
  704    HA   LYS  93           HA       LYS  93  -3.275   4.346 -15.137
  705   1HB   LYS  93          HB2       LYS  93  -0.933   3.957 -15.942
  706   2HB   LYS  93          HB3       LYS  93  -0.854   5.638 -16.490
  707   1HG   LYS  93          HG2       LYS  93  -1.278   6.357 -14.093
  708   2HG   LYS  93          HG3       LYS  93  -1.155   4.654 -13.623
  709   1HD   LYS  93          HD2       LYS  93   1.172   4.595 -14.415
  710   2HD   LYS  93          HD3       LYS  93   1.023   6.242 -15.069
  711   1HE   LYS  93          HE2       LYS  93   0.568   7.149 -12.843
  712   2HE   LYS  93          HE3       LYS  93   0.612   5.527 -12.135
  713   1HZ   LYS  93          HZ1       LYS  93   2.942   5.363 -12.705
  714   2HZ   LYS  93          HZ2       LYS  93   2.928   6.843 -13.425
  715   3HZ   LYS  93          HZ3       LYS  93   2.690   6.740 -11.810
  716    H    GLU  94           H        GLU  94  -2.848   7.058 -17.490
  717    HA   GLU  94           HA       GLU  94  -2.933   9.038 -15.501
  718   1HB   GLU  94          HB2       GLU  94  -3.674   9.220 -18.456
  719   2HB   GLU  94          HB3       GLU  94  -3.449  10.616 -17.390
  720   1HG   GLU  94          HG2       GLU  94  -1.107   9.895 -16.943
  721   2HG   GLU  94          HG3       GLU  94  -1.314   8.542 -18.058
  722    H    ALA  95           H        ALA  95  -5.604   7.650 -17.379
  723    HA   ALA  95           HA       ALA  95  -7.641   9.364 -16.319
  724   1HB   ALA  95          HB1       ALA  95  -7.741   6.531 -17.443
  725   2HB   ALA  95          HB2       ALA  95  -9.145   7.600 -17.220
  726   3HB   ALA  95          HB3       ALA  95  -7.879   8.033 -18.396
  727    H    LEU  96           H        LEU  96  -6.359   6.128 -15.372
  728    HA   LEU  96           HA       LEU  96  -8.320   5.733 -13.352
  729   1HB   LEU  96          HB2       LEU  96  -7.108   3.900 -14.434
  730   2HB   LEU  96          HB3       LEU  96  -5.581   4.468 -13.747
  731    HG   LEU  96           HG       LEU  96  -6.371   3.993 -11.481
  732   1HD1  LEU  96          HD11      LEU  96  -8.968   3.092 -12.781
  733   2HD1  LEU  96          HD12      LEU  96  -8.493   2.735 -11.101
  734   3HD1  LEU  96          HD13      LEU  96  -8.757   4.400 -11.595
  735   1HD2  LEU  96          HD21      LEU  96  -6.436   1.542 -11.646
  736   2HD2  LEU  96          HD22      LEU  96  -6.862   1.646 -13.368
  737   3HD2  LEU  96          HD23      LEU  96  -5.275   2.208 -12.806
  738    H    GLN  97           H        GLN  97  -4.988   7.140 -13.247
  739    HA   GLN  97           HA       GLN  97  -5.126   7.418 -10.376
  740   1HB   GLN  97          HB2       GLN  97  -3.069   8.579 -10.440
  741   2HB   GLN  97          HB3       GLN  97  -2.982   7.218 -11.543
  742   1HG   GLN  97          HG2       GLN  97  -1.919   8.915 -12.729
  743   2HG   GLN  97          HG3       GLN  97  -3.543   8.893 -13.401
  744   1HE2  GLN  97          HE22      GLN  97  -4.346  10.874 -13.803
  745   2HE2  GLN  97          HE21      GLN  97  -3.930  12.333 -12.917
  746    H    GLU  98           H        GLU  98  -6.178   9.386 -13.144
  747    HA   GLU  98           HA       GLU  98  -6.645  11.773 -11.657
  748   1HB   GLU  98          HB2       GLU  98  -6.637  11.737 -14.114
  749   2HB   GLU  98          HB3       GLU  98  -8.067  10.697 -14.131
  750   1HG   GLU  98          HG2       GLU  98  -9.312  12.501 -12.897
  751   2HG   GLU  98          HG3       GLU  98  -7.899  13.545 -13.077
  752    H    LEU  99           H        LEU  99  -8.679   8.940 -12.468
  753    HA   LEU  99           HA       LEU  99 -11.019   9.697 -11.078
  754   1HB   LEU  99          HB2       LEU  99 -10.958   7.867 -12.684
  755   2HB   LEU  99          HB3       LEU  99  -9.839   6.957 -11.675
  756    HG   LEU  99           HG       LEU  99 -11.570   6.670  -9.937
  757   1HD1  LEU  99          HD11      LEU  99 -13.933   7.234 -10.439
  758   2HD1  LEU  99          HD12      LEU  99 -12.945   8.685 -10.282
  759   3HD1  LEU  99          HD13      LEU  99 -13.416   8.109 -11.899
  760   1HD2  LEU  99          HD21      LEU  99 -11.294   4.981 -11.691
  761   2HD2  LEU  99          HD22      LEU  99 -12.998   5.114 -11.242
  762   3HD2  LEU  99          HD23      LEU  99 -12.427   5.852 -12.746
  763    H    VAL 100           H        VAL 100  -8.145   7.866  -9.894
  764    HA   VAL 100           HA       VAL 100  -9.143   7.498  -7.252
  765    HB   VAL 100           HB       VAL 100  -6.402   7.463  -8.535
  766   1HG1  VAL 100          HG11      VAL 100  -5.834   8.286  -6.353
  767   2HG1  VAL 100          HG12      VAL 100  -6.943   7.152  -5.562
  768   3HG1  VAL 100          HG13      VAL 100  -5.481   6.565  -6.384
  769   1HG2  VAL 100          HG21      VAL 100  -7.975   5.566  -8.902
  770   2HG2  VAL 100          HG22      VAL 100  -6.551   5.065  -7.989
  771   3HG2  VAL 100          HG23      VAL 100  -8.090   5.329  -7.148
  772    H    ASN 101           H        ASN 101  -6.986  10.106  -8.575
  773    HA   ASN 101           HA       ASN 101  -6.841  11.387  -6.055
  774   1HB   ASN 101          HB2       ASN 101  -5.340  12.693  -6.980
  775   2HB   ASN 101          HB3       ASN 101  -5.507  11.726  -8.430
  776   1HD2  ASN 101          HD22      ASN 101  -7.357  12.540  -9.984
  777   2HD2  ASN 101          HD21      ASN 101  -7.366  14.274 -10.214
  778    H    LYS 102           H        LYS 102  -9.313  11.587  -8.519
  779    HA   LYS 102           HA       LYS 102 -10.671  13.878  -7.428
  780   1HB   LYS 102          HB2       LYS 102 -11.500  11.580  -9.233
  781   2HB   LYS 102          HB3       LYS 102 -12.682  12.756  -8.656
  782   1HG   LYS 102          HG2       LYS 102 -11.482  14.605  -9.630
  783   2HG   LYS 102          HG3       LYS 102 -10.126  13.572 -10.102
  784   1HD   LYS 102          HD2       LYS 102 -11.476  12.387 -11.721
  785   2HD   LYS 102          HD3       LYS 102 -12.961  13.181 -11.149
  786   1HE   LYS 102          HE2       LYS 102 -12.149  15.365 -11.857
  787   2HE   LYS 102          HE3       LYS 102 -10.583  14.693 -12.322
  788   1HZ   LYS 102          HZ1       LYS 102 -13.109  13.850 -13.613
  789   2HZ   LYS 102          HZ2       LYS 102 -12.193  15.077 -14.169
  790   3HZ   LYS 102          HZ3       LYS 102 -11.562  13.580 -14.142
  791    H    HIS 103           H        HIS 103 -10.404  10.613  -6.159
  792    HA   HIS 103           HA       HIS 103 -12.612  11.242  -4.248
  793   1HB   HIS 103          HB2       HIS 103 -11.515   8.579  -5.194
  794   2HB   HIS 103          HB3       HIS 103 -12.636   8.768  -3.849
  795    HD1  HIS 103           HD1      HIS 103 -15.076  10.091  -4.602
  796    HD2  HIS 103           HD2      HIS 103 -12.661   8.290  -7.537
  797    HE1  HIS 103           HE1      HIS 103 -16.557   9.756  -6.648
  798    H    LEU 104           H        LEU 104  -9.152  10.857  -4.459
  799    HA   LEU 104           HA       LEU 104  -8.599  10.222  -1.744
  800   1HB   LEU 104          HB2       LEU 104  -7.092  12.014  -3.679
  801   2HB   LEU 104          HB3       LEU 104  -6.521  11.607  -2.072
  802    HG   LEU 104           HG       LEU 104  -6.940   9.626  -4.339
  803   1HD1  LEU 104          HD11      LEU 104  -4.418  10.634  -2.968
  804   2HD1  LEU 104          HD12      LEU 104  -4.498   9.410  -4.254
  805   3HD1  LEU 104          HD13      LEU 104  -4.965  11.080  -4.596
  806   1HD2  LEU 104          HD21      LEU 104  -5.996   9.142  -1.484
  807   2HD2  LEU 104          HD22      LEU 104  -7.423   8.441  -2.284
  808   3HD2  LEU 104          HD23      LEU 104  -5.810   7.988  -2.822
  Start of MODEL   17
    1   1H    MET   1          H1        MET   1   2.420  -0.215  -3.444
    2   2H    MET   1          H2        MET   1   1.063  -0.040  -2.571
    3   3H    MET   1          H3        MET   1   2.293   1.038  -2.370
    4    HA   MET   1           HA       MET   1   3.716  -0.610  -1.460
    5   1HB   MET   1          HB2       MET   1   2.236   0.590   0.111
    6   2HB   MET   1          HB3       MET   1   1.006  -0.667  -0.063
    7   1HG   MET   1          HG2       MET   1   2.607  -2.342   0.836
    8   2HG   MET   1          HG3       MET   1   3.838  -1.081   0.982
    9   1HE   MET   1          HE1       MET   1   2.969  -1.939   4.705
   10   2HE   MET   1          HE2       MET   1   3.008  -3.064   3.329
   11   3HE   MET   1          HE3       MET   1   4.255  -1.804   3.486
   12    H    ALA   2           H        ALA   2   0.487  -2.297  -1.370
   13    HA   ALA   2           HA       ALA   2   1.346  -4.286  -3.247
   14   1HB   ALA   2          HB1       ALA   2   2.403  -5.272  -1.214
   15   2HB   ALA   2          HB2       ALA   2   0.863  -5.119  -0.334
   16   3HB   ALA   2          HB3       ALA   2   0.992  -6.223  -1.718
   17    H    ILE   3           H        ILE   3  -0.460  -5.289  -4.096
   18    HA   ILE   3           HA       ILE   3  -3.042  -4.054  -3.539
   19    HB   ILE   3           HB       ILE   3  -2.067  -6.173  -5.509
   20   1HG1  ILE   3          HG12      ILE   3  -2.753  -3.214  -5.854
   21   2HG1  ILE   3          HG13      ILE   3  -1.126  -3.866  -5.783
   22   1HG2  ILE   3          HG21      ILE   3  -4.232  -5.807  -6.712
   23   2HG2  ILE   3          HG22      ILE   3  -4.447  -6.554  -5.141
   24   3HG2  ILE   3          HG23      ILE   3  -4.799  -4.828  -5.340
   25   1HD1  ILE   3          HD11      ILE   3  -1.591  -3.458  -8.044
   26   2HD1  ILE   3          HD12      ILE   3  -1.587  -5.218  -7.814
   27   3HD1  ILE   3          HD13      ILE   3  -3.134  -4.324  -7.984
   28    H    VAL   4           H        VAL   4  -4.895  -5.192  -2.798
   29    HA   VAL   4           HA       VAL   4  -4.253  -7.461  -0.978
   30    HB   VAL   4           HB       VAL   4  -6.393  -5.307  -0.783
   31   1HG1  VAL   4          HG11      VAL   4  -5.513  -7.406   1.241
   32   2HG1  VAL   4          HG12      VAL   4  -6.560  -6.023   1.612
   33   3HG1  VAL   4          HG13      VAL   4  -7.124  -7.242   0.488
   34   1HG2  VAL   4          HG21      VAL   4  -3.714  -5.522   0.656
   35   2HG2  VAL   4          HG22      VAL   4  -4.219  -4.239  -0.466
   36   3HG2  VAL   4          HG23      VAL   4  -5.008  -4.389   1.098
   37    H    LYS   5           H        LYS   5  -6.348  -8.842  -0.616
   38    HA   LYS   5           HA       LYS   5  -7.919  -9.182  -3.105
   39   1HB   LYS   5          HB2       LYS   5  -6.370 -11.457  -1.751
   40   2HB   LYS   5          HB3       LYS   5  -7.495 -11.589  -3.096
   41   1HG   LYS   5          HG2       LYS   5  -5.548 -11.649  -4.274
   42   2HG   LYS   5          HG3       LYS   5  -5.832  -9.913  -4.297
   43   1HD   LYS   5          HD2       LYS   5  -4.265  -9.787  -2.233
   44   2HD   LYS   5          HD3       LYS   5  -3.879 -11.478  -2.562
   45   1HE   LYS   5          HE2       LYS   5  -3.071 -10.907  -4.797
   46   2HE   LYS   5          HE3       LYS   5  -3.640  -9.240  -4.623
   47   1HZ   LYS   5          HZ1       LYS   5  -1.521 -10.426  -2.926
   48   2HZ   LYS   5          HZ2       LYS   5  -1.236  -9.505  -4.238
   49   3HZ   LYS   5          HZ3       LYS   5  -1.995  -8.846  -2.951
   50    H    ALA   6           H        ALA   6 -10.026  -9.767  -2.582
   51    HA   ALA   6           HA       ALA   6 -10.585 -10.791   0.134
   52   1HB   ALA   6          HB1       ALA   6 -10.676  -8.281   0.280
   53   2HB   ALA   6          HB2       ALA   6 -11.943  -8.298  -0.971
   54   3HB   ALA   6          HB3       ALA   6 -12.226  -9.068   0.603
   55    H    THR   7           H        THR   7 -12.995 -11.276   0.350
   56    HA   THR   7           HA       THR   7 -14.275 -12.028  -2.204
   57    HB   THR   7           HB       THR   7 -14.867 -14.228  -1.203
   58    HG1  THR   7           HG1      THR   7 -14.618 -14.397   0.792
   59   1HG2  THR   7          HG21      THR   7 -11.843 -13.893  -1.188
   60   2HG2  THR   7          HG22      THR   7 -12.781 -15.369  -1.492
   61   3HG2  THR   7          HG23      THR   7 -12.827 -14.036  -2.662
   62    H    ASP   8           H        ASP   8 -16.719 -12.731  -1.524
   63    HA   ASP   8           HA       ASP   8 -18.044 -10.516  -0.577
   64   1HB   ASP   8          HB2       ASP   8 -19.066 -12.630  -1.661
   65   2HB   ASP   8          HB3       ASP   8 -19.063 -13.337  -0.056
   66    H    GLN   9           H        GLN   9 -16.672 -13.088   1.322
   67    HA   GLN   9           HA       GLN   9 -17.959 -12.653   3.822
   68   1HB   GLN   9          HB2       GLN   9 -15.305 -13.968   3.070
   69   2HB   GLN   9          HB3       GLN   9 -16.092 -14.103   4.640
   70   1HG   GLN   9          HG2       GLN   9 -16.660 -16.108   3.551
   71   2HG   GLN   9          HG3       GLN   9 -18.114 -15.123   3.477
   72   1HE2  GLN   9          HE22      GLN   9 -18.849 -16.508   1.624
   73   2HE2  GLN   9          HE21      GLN   9 -18.154 -16.259   0.041
   74    H    SER  10           H        SER  10 -15.114 -11.133   2.343
   75    HA   SER  10           HA       SER  10 -14.579  -9.627   4.856
   76   1HB   SER  10          HB2       SER  10 -12.166  -9.989   4.189
   77   2HB   SER  10          HB3       SER  10 -13.055 -11.494   4.517
   78    HG   SER  10           HG       SER  10 -11.873 -11.715   2.627
   79    H    PHE  11           H        PHE  11 -15.024  -9.315   1.444
   80    HA   PHE  11           HA       PHE  11 -13.572  -7.038   0.811
   81   1HB   PHE  11          HB2       PHE  11 -14.883  -8.454  -0.733
   82   2HB   PHE  11          HB3       PHE  11 -16.384  -7.859  -0.039
   83    HD1  PHE  11           HD1      PHE  11 -13.553  -7.139  -2.274
   84    HD2  PHE  11           HD2      PHE  11 -17.169  -5.544  -0.535
   85    HE1  PHE  11           HE1      PHE  11 -13.598  -5.373  -3.992
   86    HE2  PHE  11           HE2      PHE  11 -17.188  -3.748  -2.252
   87    HZ   PHE  11           HZ       PHE  11 -15.440  -3.678  -3.999
   88    H    SER  12           H        SER  12 -16.587  -7.284   2.718
   89    HA   SER  12           HA       SER  12 -17.177  -4.496   2.551
   90   1HB   SER  12          HB2       SER  12 -18.073  -6.472   4.689
   91   2HB   SER  12          HB3       SER  12 -18.894  -4.980   4.196
   92    HG   SER  12           HG       SER  12 -19.816  -6.876   3.264
   93    H    ALA  13           H        ALA  13 -15.284  -6.447   4.847
   94    HA   ALA  13           HA       ALA  13 -14.885  -4.298   6.730
   95   1HB   ALA  13          HB1       ALA  13 -13.107  -5.753   7.632
   96   2HB   ALA  13          HB2       ALA  13 -14.611  -6.663   7.394
   97   3HB   ALA  13          HB3       ALA  13 -13.266  -6.843   6.242
   98    H    GLU  14           H        GLU  14 -13.060  -5.699   3.962
   99    HA   GLU  14           HA       GLU  14 -10.776  -4.073   4.293
  100   1HB   GLU  14          HB2       GLU  14 -11.909  -5.554   1.886
  101   2HB   GLU  14          HB3       GLU  14 -10.375  -4.692   1.811
  102   1HG   GLU  14          HG2       GLU  14 -11.036  -6.913   3.777
  103   2HG   GLU  14          HG3       GLU  14 -10.118  -7.117   2.280
  104    H    THR  15           H        THR  15 -13.772  -3.466   2.408
  105    HA   THR  15           HA       THR  15 -12.654  -1.088   1.243
  106    HB   THR  15           HB       THR  15 -15.010  -0.764   0.405
  107    HG1  THR  15           HG1      THR  15 -15.349  -3.419   1.328
  108   1HG2  THR  15          HG21      THR  15 -14.788  -2.642  -1.202
  109   2HG2  THR  15          HG22      THR  15 -13.269  -1.788  -0.955
  110   3HG2  THR  15          HG23      THR  15 -13.518  -3.369  -0.197
  111    H    SER  16           H        SER  16 -13.443  -1.553   4.393
  112    HA   SER  16           HA       SER  16 -14.794   1.072   4.714
  113   1HB   SER  16          HB2       SER  16 -14.854  -1.396   6.488
  114   2HB   SER  16          HB3       SER  16 -15.675   0.140   6.822
  115    HG   SER  16           HG       SER  16 -16.263  -1.843   4.959
  116    H    GLU  17           H        GLU  17 -11.926   0.847   4.389
  117    HA   GLU  17           HA       GLU  17 -11.124   2.009   7.027
  118   1HB   GLU  17          HB2       GLU  17  -9.460   0.187   5.241
  119   2HB   GLU  17          HB3       GLU  17  -8.907   0.955   6.736
  120   1HG   GLU  17          HG2       GLU  17 -10.719  -0.284   7.977
  121   2HG   GLU  17          HG3       GLU  17 -11.040  -1.192   6.491
  122    H    GLY  18           H        GLY  18 -11.566   2.863   3.815
  123   1HA   GLY  18          HA2       GLY  18 -10.224   5.300   3.883
  124   2HA   GLY  18          HA3       GLY  18  -9.045   4.096   3.279
  125    H    VAL  19           H        VAL  19  -9.205   5.543   1.317
  126    HA   VAL  19           HA       VAL  19 -11.521   5.050  -0.436
  127    HB   VAL  19           HB       VAL  19  -8.732   6.148  -1.029
  128   1HG1  VAL  19          HG11      VAL  19  -9.773   5.138  -3.059
  129   2HG1  VAL  19          HG12      VAL  19 -11.244   6.088  -2.781
  130   3HG1  VAL  19          HG13      VAL  19  -9.713   6.897  -3.186
  131   1HG2  VAL  19          HG21      VAL  19 -11.403   7.583  -0.793
  132   2HG2  VAL  19          HG22      VAL  19 -10.073   7.680   0.394
  133   3HG2  VAL  19          HG23      VAL  19  -9.865   8.322  -1.239
  134    H    VAL  20           H        VAL  20 -11.639   3.231  -1.757
  135    HA   VAL  20           HA       VAL  20  -9.305   1.423  -1.848
  136    HB   VAL  20           HB       VAL  20 -12.112   0.519  -1.089
  137   1HG1  VAL  20          HG11      VAL  20 -10.897  -1.181  -2.344
  138   2HG1  VAL  20          HG12      VAL  20  -9.452  -0.942  -1.341
  139   3HG1  VAL  20          HG13      VAL  20 -10.926  -1.643  -0.639
  140   1HG2  VAL  20          HG21      VAL  20  -9.677   1.103   0.628
  141   2HG2  VAL  20          HG22      VAL  20 -11.380   1.516   0.898
  142   3HG2  VAL  20          HG23      VAL  20 -10.815  -0.139   1.110
  143    H    LEU  21           H        LEU  21  -8.932   0.830  -3.876
  144    HA   LEU  21           HA       LEU  21 -11.012   1.206  -5.966
  145   1HB   LEU  21          HB2       LEU  21  -8.853   2.253  -6.394
  146   2HB   LEU  21          HB3       LEU  21  -7.999   0.736  -6.060
  147    HG   LEU  21           HG       LEU  21  -9.034  -0.279  -8.085
  148   1HD1  LEU  21          HD11      LEU  21 -11.127   0.969  -8.268
  149   2HD1  LEU  21          HD12      LEU  21 -10.239   2.500  -8.468
  150   3HD1  LEU  21          HD13      LEU  21 -10.161   1.247  -9.718
  151   1HD2  LEU  21          HD21      LEU  21  -6.841   0.851  -8.211
  152   2HD2  LEU  21          HD22      LEU  21  -7.752   1.019  -9.716
  153   3HD2  LEU  21          HD23      LEU  21  -7.646   2.391  -8.592
  154    H    ALA  22           H        ALA  22 -12.291  -0.598  -5.839
  155    HA   ALA  22           HA       ALA  22 -11.103  -3.283  -5.475
  156   1HB   ALA  22          HB1       ALA  22 -13.939  -2.320  -6.013
  157   2HB   ALA  22          HB2       ALA  22 -13.461  -4.018  -5.815
  158   3HB   ALA  22          HB3       ALA  22 -13.270  -2.876  -4.459
  159    H    ASP  23           H        ASP  23 -11.034  -4.784  -7.120
  160    HA   ASP  23           HA       ASP  23 -11.711  -3.953  -9.903
  161   1HB   ASP  23          HB2       ASP  23  -9.327  -3.690  -9.767
  162   2HB   ASP  23          HB3       ASP  23  -9.149  -5.222  -8.913
  163    H    PHE  24           H        PHE  24 -13.448  -5.108 -10.148
  164    HA   PHE  24           HA       PHE  24 -13.774  -7.871  -9.227
  165   1HB   PHE  24          HB2       PHE  24 -15.523  -5.968 -10.840
  166   2HB   PHE  24          HB3       PHE  24 -15.946  -7.629 -10.485
  167    HD1  PHE  24           HD1      PHE  24 -16.905  -8.249  -8.364
  168    HD2  PHE  24           HD2      PHE  24 -15.189  -4.323  -8.881
  169    HE1  PHE  24           HE1      PHE  24 -17.728  -7.592  -6.125
  170    HE2  PHE  24           HE2      PHE  24 -15.997  -3.689  -6.624
  171    HZ   PHE  24           HZ       PHE  24 -17.226  -5.322  -5.234
  172    H    TRP  25           H        TRP  25 -12.780  -9.425 -10.411
  173    HA   TRP  25           HA       TRP  25 -12.306  -8.970 -13.319
  174   1HB   TRP  25          HB2       TRP  25 -10.021  -9.431 -13.140
  175   2HB   TRP  25          HB3       TRP  25 -10.351  -8.222 -11.920
  176    HD1  TRP  25           HD1      TRP  25 -10.716  -9.375  -9.348
  177    HE1  TRP  25           HE1      TRP  25  -9.389 -11.244  -8.209
  178    HE3  TRP  25           HE3      TRP  25  -8.463 -11.383 -13.483
  179    HZ2  TRP  25           HZ2      TRP  25  -7.482 -13.277  -8.981
  180    HZ3  TRP  25           HZ3      TRP  25  -6.852 -13.249 -13.238
  181    HH2  TRP  25           HH2      TRP  25  -6.379 -14.227 -11.008
  182    H    ALA  26           H        ALA  26 -11.245 -11.069 -14.267
  183    HA   ALA  26           HA       ALA  26 -11.765 -13.521 -12.844
  184   1HB   ALA  26          HB1       ALA  26 -13.152 -14.559 -14.555
  185   2HB   ALA  26          HB2       ALA  26 -13.987 -13.118 -13.965
  186   3HB   ALA  26          HB3       ALA  26 -13.149 -13.075 -15.535
  187    HA   PRO  27           HA       PRO  27  -8.012 -14.034 -14.972
  188   1HB   PRO  27          HB2       PRO  27  -7.555 -16.742 -14.957
  189   2HB   PRO  27          HB3       PRO  27  -7.589 -15.746 -13.472
  190   1HG   PRO  27          HG2       PRO  27  -9.828 -17.425 -14.637
  191   2HG   PRO  27          HG3       PRO  27  -9.251 -17.364 -12.939
  192   1HD   PRO  27          HD2       PRO  27 -11.422 -15.935 -13.805
  193   2HD   PRO  27          HD3       PRO  27 -10.302 -15.291 -12.559
  194    H    TRP  28           H        TRP  28 -10.782 -15.628 -16.484
  195    HA   TRP  28           HA       TRP  28  -9.306 -16.336 -18.899
  196   1HB   TRP  28          HB2       TRP  28 -11.683 -16.926 -19.654
  197   2HB   TRP  28          HB3       TRP  28 -10.957 -17.838 -18.352
  198    HD1  TRP  28           HD1      TRP  28 -12.933 -14.512 -18.002
  199    HE1  TRP  28           HE1      TRP  28 -14.945 -14.894 -16.495
  200    HE3  TRP  28           HE3      TRP  28 -12.327 -19.523 -17.121
  201    HZ2  TRP  28           HZ2      TRP  28 -16.091 -17.074 -14.963
  202    HZ3  TRP  28           HZ3      TRP  28 -13.877 -20.715 -15.595
  203    HH2  TRP  28           HH2      TRP  28 -15.757 -19.502 -14.511
  204    H    CYS  29           H        CYS  29 -10.390 -13.357 -17.727
  205    HA   CYS  29           HA       CYS  29 -11.360 -12.378 -20.348
  206   1HB   CYS  29          HB2       CYS  29 -12.670 -11.847 -18.337
  207   2HB   CYS  29          HB3       CYS  29 -11.253 -11.078 -17.602
  208    HG   CYS  29           HG       CYS  29 -13.173  -9.366 -18.603
  209    H    GLY  30           H        GLY  30  -9.698 -11.849 -21.705
  210   1HA   GLY  30          HA2       GLY  30  -7.024 -11.383 -21.143
  211   2HA   GLY  30          HA3       GLY  30  -7.884 -10.741 -22.548
  212    HA   PRO  31           HA       PRO  31  -7.890  -6.565 -20.953
  213   1HB   PRO  31          HB2       PRO  31 -10.760  -6.807 -20.055
  214   2HB   PRO  31          HB3       PRO  31  -9.954  -5.415 -20.846
  215   1HG   PRO  31          HG2       PRO  31 -11.439  -7.137 -22.309
  216   2HG   PRO  31          HG3       PRO  31  -9.840  -6.611 -22.928
  217   1HD   PRO  31          HD2       PRO  31 -10.582  -9.210 -21.594
  218   2HD   PRO  31          HD3       PRO  31  -9.478  -8.919 -22.965
  219    H    CYS  32           H        CYS  32  -9.328  -8.851 -18.536
  220    HA   CYS  32           HA       CYS  32  -8.655  -7.231 -16.248
  221   1HB   CYS  32          HB2       CYS  32  -8.947 -10.265 -16.465
  222   2HB   CYS  32          HB3       CYS  32  -8.729  -9.355 -14.976
  223    HG   CYS  32           HG       CYS  32 -11.132  -8.937 -17.215
  224    H    LYS  33           H        LYS  33  -6.783  -9.568 -18.231
  225    HA   LYS  33           HA       LYS  33  -4.454  -9.485 -16.474
  226   1HB   LYS  33          HB2       LYS  33  -4.592 -10.210 -19.439
  227   2HB   LYS  33          HB3       LYS  33  -3.253 -10.505 -18.335
  228   1HG   LYS  33          HG2       LYS  33  -4.712 -11.995 -16.965
  229   2HG   LYS  33          HG3       LYS  33  -6.035 -11.742 -18.122
  230   1HD   LYS  33          HD2       LYS  33  -4.617 -12.677 -19.942
  231   2HD   LYS  33          HD3       LYS  33  -3.317 -12.971 -18.763
  232   1HE   LYS  33          HE2       LYS  33  -4.863 -14.438 -17.461
  233   2HE   LYS  33          HE3       LYS  33  -6.128 -14.156 -18.659
  234   1HZ   LYS  33          HZ1       LYS  33  -4.708 -15.230 -20.314
  235   2HZ   LYS  33          HZ2       LYS  33  -3.539 -15.494 -19.201
  236   3HZ   LYS  33          HZ3       LYS  33  -4.983 -16.235 -19.061
  237    H    MET  34           H        MET  34  -5.514  -7.728 -19.442
  238    HA   MET  34           HA       MET  34  -3.086  -6.287 -19.740
  239   1HB   MET  34          HB2       MET  34  -5.889  -5.550 -20.679
  240   2HB   MET  34          HB3       MET  34  -4.402  -4.731 -21.164
  241   1HG   MET  34          HG2       MET  34  -3.516  -6.960 -21.964
  242   2HG   MET  34          HG3       MET  34  -5.128  -7.627 -21.730
  243   1HE   MET  34          HE1       MET  34  -7.108  -5.313 -22.774
  244   2HE   MET  34          HE2       MET  34  -7.238  -5.781 -24.481
  245   3HE   MET  34          HE3       MET  34  -7.230  -7.035 -23.224
  246    H    ILE  35           H        ILE  35  -5.992  -5.506 -17.764
  247    HA   ILE  35           HA       ILE  35  -4.885  -2.893 -17.129
  248    HB   ILE  35           HB       ILE  35  -7.332  -3.496 -17.350
  249   1HG1  ILE  35          HG12      ILE  35  -6.449  -1.907 -14.910
  250   2HG1  ILE  35          HG13      ILE  35  -6.481  -1.334 -16.580
  251   1HG2  ILE  35          HG21      ILE  35  -8.554  -4.326 -15.446
  252   2HG2  ILE  35          HG22      ILE  35  -7.289  -5.486 -15.836
  253   3HG2  ILE  35          HG23      ILE  35  -7.087  -4.395 -14.451
  254   1HD1  ILE  35          HD11      ILE  35  -8.852  -2.052 -14.825
  255   2HD1  ILE  35          HD12      ILE  35  -8.439  -0.486 -15.553
  256   3HD1  ILE  35          HD13      ILE  35  -8.993  -1.821 -16.580
  257    H    ALA  36           H        ALA  36  -4.250  -6.065 -15.866
  258    HA   ALA  36           HA       ALA  36  -3.827  -5.496 -13.163
  259   1HB   ALA  36          HB1       ALA  36  -2.233  -7.430 -14.887
  260   2HB   ALA  36          HB2       ALA  36  -2.360  -7.437 -13.122
  261   3HB   ALA  36          HB3       ALA  36  -3.795  -7.768 -14.112
  262    HA   PRO  37           HA       PRO  37   0.628  -3.999 -13.941
  263   1HB   PRO  37          HB2       PRO  37   1.288  -2.882 -16.395
  264   2HB   PRO  37          HB3       PRO  37   1.637  -4.567 -15.905
  265   1HG   PRO  37          HG2       PRO  37  -0.708  -3.540 -17.525
  266   2HG   PRO  37          HG3       PRO  37   0.343  -4.954 -17.867
  267   1HD   PRO  37          HD2       PRO  37  -2.050  -5.287 -16.697
  268   2HD   PRO  37          HD3       PRO  37  -0.649  -6.224 -16.123
  269    H    VAL  38           H        VAL  38  -2.177  -2.420 -15.540
  270    HA   VAL  38           HA       VAL  38  -1.317   0.249 -14.944
  271    HB   VAL  38           HB       VAL  38  -4.186  -0.730 -15.262
  272   1HG1  VAL  38          HG11      VAL  38  -4.597   1.574 -15.994
  273   2HG1  VAL  38          HG12      VAL  38  -3.918   1.571 -14.371
  274   3HG1  VAL  38          HG13      VAL  38  -2.879   1.962 -15.758
  275   1HG2  VAL  38          HG21      VAL  38  -2.944  -1.460 -17.260
  276   2HG2  VAL  38          HG22      VAL  38  -3.958  -0.069 -17.648
  277   3HG2  VAL  38          HG23      VAL  38  -2.211   0.151 -17.418
  278    H    LEU  39           H        LEU  39  -3.252  -2.239 -13.190
  279    HA   LEU  39           HA       LEU  39  -3.767  -0.565 -10.937
  280   1HB   LEU  39          HB2       LEU  39  -3.738  -3.576 -11.275
  281   2HB   LEU  39          HB3       LEU  39  -4.207  -2.784  -9.774
  282    HG   LEU  39           HG       LEU  39  -5.570  -2.154 -12.432
  283   1HD1  LEU  39          HD11      LEU  39  -5.857  -4.520 -11.967
  284   2HD1  LEU  39          HD12      LEU  39  -6.417  -4.158 -10.309
  285   3HD1  LEU  39          HD13      LEU  39  -7.374  -3.651 -11.722
  286   1HD2  LEU  39          HD21      LEU  39  -6.429  -1.690  -9.540
  287   2HD2  LEU  39          HD22      LEU  39  -5.895  -0.439 -10.683
  288   3HD2  LEU  39          HD23      LEU  39  -7.390  -1.320 -10.986
  289    H    GLU  40           H        GLU  40  -1.003  -2.718 -11.747
  290    HA   GLU  40           HA       GLU  40   0.303  -2.291  -9.225
  291   1HB   GLU  40          HB2       GLU  40   1.410  -3.044 -11.953
  292   2HB   GLU  40          HB3       GLU  40   2.389  -2.933 -10.487
  293   1HG   GLU  40          HG2       GLU  40   0.931  -4.612  -9.375
  294   2HG   GLU  40          HG3       GLU  40  -0.003  -4.786 -10.857
  295    H    GLU  41           H        GLU  41   0.328  -0.389 -12.273
  296    HA   GLU  41           HA       GLU  41   2.237   1.544 -11.372
  297   1HB   GLU  41          HB2       GLU  41  -0.002   1.668 -13.412
  298   2HB   GLU  41          HB3       GLU  41   0.978   3.072 -13.018
  299   1HG   GLU  41          HG2       GLU  41   2.090   0.415 -14.020
  300   2HG   GLU  41          HG3       GLU  41   1.780   1.825 -15.024
  301    H    LEU  42           H        LEU  42  -1.346   1.397 -11.049
  302    HA   LEU  42           HA       LEU  42  -1.551   3.761  -9.492
  303   1HB   LEU  42          HB2       LEU  42  -3.247   1.404 -10.118
  304   2HB   LEU  42          HB3       LEU  42  -3.580   2.103  -8.555
  305    HG   LEU  42           HG       LEU  42  -5.015   2.977 -10.325
  306   1HD1  LEU  42          HD11      LEU  42  -4.971   5.266  -9.647
  307   2HD1  LEU  42          HD12      LEU  42  -4.489   4.287  -8.258
  308   3HD1  LEU  42          HD13      LEU  42  -3.257   5.182  -9.176
  309   1HD2  LEU  42          HD21      LEU  42  -2.515   4.328 -11.455
  310   2HD2  LEU  42          HD22      LEU  42  -3.421   3.009 -12.216
  311   3HD2  LEU  42          HD23      LEU  42  -4.177   4.596 -11.982
  312    H    ASP  43           H        ASP  43  -0.791   0.401  -8.511
  313    HA   ASP  43           HA       ASP  43  -0.962   0.899  -5.729
  314   1HB   ASP  43          HB2       ASP  43  -0.888  -1.377  -6.545
  315   2HB   ASP  43          HB3       ASP  43   0.735  -1.135  -7.208
  316    H    GLN  44           H        GLN  44   1.723   1.303  -8.064
  317    HA   GLN  44           HA       GLN  44   3.687   2.069  -6.112
  318   1HB   GLN  44          HB2       GLN  44   3.393   2.442  -9.103
  319   2HB   GLN  44          HB3       GLN  44   4.805   3.038  -8.226
  320   1HG   GLN  44          HG2       GLN  44   5.508   0.836  -7.619
  321   2HG   GLN  44          HG3       GLN  44   3.965   0.117  -8.087
  322   1HE2  GLN  44          HE22      GLN  44   3.385   0.028 -10.327
  323   2HE2  GLN  44          HE21      GLN  44   4.514   0.369 -11.640
  324    H    GLU  45           H        GLU  45   1.516   3.900  -8.265
  325    HA   GLU  45           HA       GLU  45   2.594   6.477  -7.563
  326   1HB   GLU  45          HB2       GLU  45   0.099   5.569  -9.048
  327   2HB   GLU  45          HB3       GLU  45   0.597   7.252  -8.972
  328   1HG   GLU  45          HG2       GLU  45   2.487   5.129 -10.071
  329   2HG   GLU  45          HG3       GLU  45   1.190   5.798 -11.050
  330    H    MET  46           H        MET  46  -0.243   4.625  -6.479
  331    HA   MET  46           HA       MET  46  -0.972   6.789  -4.578
  332   1HB   MET  46          HB2       MET  46  -2.828   5.255  -6.437
  333   2HB   MET  46          HB3       MET  46  -3.331   6.398  -5.188
  334   1HG   MET  46          HG2       MET  46  -1.630   7.231  -7.543
  335   2HG   MET  46          HG3       MET  46  -3.389   7.260  -7.521
  336   1HE   MET  46          HE1       MET  46  -3.499   9.777  -8.144
  337   2HE   MET  46          HE2       MET  46  -2.592  11.052  -7.302
  338   3HE   MET  46          HE3       MET  46  -1.722   9.809  -8.227
  339    H    GLY  47           H        GLY  47  -0.290   3.454  -4.863
  340   1HA   GLY  47          HA2       GLY  47  -2.358   2.326  -3.272
  341   2HA   GLY  47          HA3       GLY  47  -0.868   1.546  -3.761
  342    H    ASP  48           H        ASP  48  -1.556   4.303  -1.703
  343    HA   ASP  48           HA       ASP  48  -1.030   2.976   0.781
  344   1HB   ASP  48          HB2       ASP  48   1.292   3.578   0.306
  345   2HB   ASP  48          HB3       ASP  48   0.811   5.214  -0.154
  346    H    LYS  49           H        LYS  49  -1.480   6.003  -1.079
  347    HA   LYS  49           HA       LYS  49  -3.119   7.364   0.834
  348   1HB   LYS  49          HB2       LYS  49  -2.815   7.611  -2.186
  349   2HB   LYS  49          HB3       LYS  49  -3.818   8.690  -1.219
  350   1HG   LYS  49          HG2       LYS  49  -1.994   9.594  -0.020
  351   2HG   LYS  49          HG3       LYS  49  -0.885   8.319  -0.504
  352   1HD   LYS  49          HD2       LYS  49  -2.019  10.397  -2.425
  353   2HD   LYS  49          HD3       LYS  49  -0.444  10.496  -1.612
  354   1HE   LYS  49          HE2       LYS  49   0.147   8.247  -2.623
  355   2HE   LYS  49          HE3       LYS  49  -1.359   8.342  -3.551
  356   1HZ   LYS  49          HZ1       LYS  49  -0.484  10.338  -4.625
  357   2HZ   LYS  49          HZ2       LYS  49   0.916  10.224  -3.779
  358   3HZ   LYS  49          HZ3       LYS  49   0.512   9.059  -4.861
  359    H    LEU  50           H        LEU  50  -3.746   4.890  -1.640
  360    HA   LEU  50           HA       LEU  50  -6.335   4.449  -0.375
  361   1HB   LEU  50          HB2       LEU  50  -7.579   4.497  -2.222
  362   2HB   LEU  50          HB3       LEU  50  -6.377   5.644  -2.761
  363    HG   LEU  50           HG       LEU  50  -6.411   2.677  -3.521
  364   1HD1  LEU  50          HD11      LEU  50  -7.571   5.110  -4.880
  365   2HD1  LEU  50          HD12      LEU  50  -7.220   3.593  -5.728
  366   3HD1  LEU  50          HD13      LEU  50  -8.393   3.620  -4.396
  367   1HD2  LEU  50          HD21      LEU  50  -4.196   3.598  -3.766
  368   2HD2  LEU  50          HD22      LEU  50  -4.917   3.409  -5.364
  369   3HD2  LEU  50          HD23      LEU  50  -4.854   5.017  -4.601
  370    H    LYS  51           H        LYS  51  -7.142   2.226  -0.839
  371    HA   LYS  51           HA       LYS  51  -4.912   0.226  -0.893
  372   1HB   LYS  51          HB2       LYS  51  -6.482   0.366   1.075
  373   2HB   LYS  51          HB3       LYS  51  -7.826   0.029  -0.016
  374   1HG   LYS  51          HG2       LYS  51  -6.708  -2.197  -0.556
  375   2HG   LYS  51          HG3       LYS  51  -5.543  -1.840   0.726
  376   1HD   LYS  51          HD2       LYS  51  -8.576  -2.086   1.024
  377   2HD   LYS  51          HD3       LYS  51  -7.383  -3.304   1.481
  378   1HE   LYS  51          HE2       LYS  51  -6.419  -1.718   3.154
  379   2HE   LYS  51          HE3       LYS  51  -7.674  -0.525   2.747
  380   1HZ   LYS  51          HZ1       LYS  51  -8.261  -3.269   3.710
  381   2HZ   LYS  51          HZ2       LYS  51  -8.197  -1.979   4.713
  382   3HZ   LYS  51          HZ3       LYS  51  -9.331  -2.037   3.516
  383    H    ILE  52           H        ILE  52  -5.219  -1.652  -2.394
  384    HA   ILE  52           HA       ILE  52  -7.336  -1.255  -4.452
  385    HB   ILE  52           HB       ILE  52  -4.570  -2.415  -4.943
  386   1HG1  ILE  52          HG12      ILE  52  -5.719   0.320  -5.632
  387   2HG1  ILE  52          HG13      ILE  52  -4.302  -0.041  -4.645
  388   1HG2  ILE  52          HG21      ILE  52  -6.391  -3.429  -6.334
  389   2HG2  ILE  52          HG22      ILE  52  -6.804  -1.808  -6.928
  390   3HG2  ILE  52          HG23      ILE  52  -5.227  -2.549  -7.293
  391   1HD1  ILE  52          HD11      ILE  52  -4.542  -0.307  -7.651
  392   2HD1  ILE  52          HD12      ILE  52  -3.495   0.762  -6.700
  393   3HD1  ILE  52          HD13      ILE  52  -3.189  -0.984  -6.710
  394    H    VAL  53           H        VAL  53  -8.617  -3.128  -4.719
  395    HA   VAL  53           HA       VAL  53  -7.750  -5.546  -3.192
  396    HB   VAL  53           HB       VAL  53 -10.507  -4.249  -3.095
  397   1HG1  VAL  53          HG11      VAL  53 -10.747  -6.680  -3.013
  398   2HG1  VAL  53          HG12      VAL  53  -9.515  -6.785  -1.731
  399   3HG1  VAL  53          HG13      VAL  53 -11.074  -5.978  -1.430
  400   1HG2  VAL  53          HG21      VAL  53  -8.810  -3.115  -1.625
  401   2HG2  VAL  53          HG22      VAL  53 -10.128  -3.883  -0.729
  402   3HG2  VAL  53          HG23      VAL  53  -8.536  -4.661  -0.807
  403    H    LYS  54           H        LYS  54  -7.665  -7.210  -4.586
  404    HA   LYS  54           HA       LYS  54  -9.249  -7.297  -7.069
  405   1HB   LYS  54          HB2       LYS  54  -7.492  -9.330  -5.602
  406   2HB   LYS  54          HB3       LYS  54  -8.233  -9.634  -7.161
  407   1HG   LYS  54          HG2       LYS  54  -6.185  -7.447  -6.636
  408   2HG   LYS  54          HG3       LYS  54  -5.877  -9.024  -7.385
  409   1HD   LYS  54          HD2       LYS  54  -7.643  -8.443  -9.124
  410   2HD   LYS  54          HD3       LYS  54  -7.658  -6.791  -8.461
  411   1HE   LYS  54          HE2       LYS  54  -5.450  -6.363  -9.090
  412   2HE   LYS  54          HE3       LYS  54  -5.056  -8.095  -9.237
  413   1HZ   LYS  54          HZ1       LYS  54  -5.372  -6.936 -11.416
  414   2HZ   LYS  54          HZ2       LYS  54  -6.333  -8.241 -11.216
  415   3HZ   LYS  54          HZ3       LYS  54  -6.982  -6.755 -11.047
  416    H    ILE  55           H        ILE  55 -11.114  -8.481  -7.410
  417    HA   ILE  55           HA       ILE  55 -11.787 -10.585  -5.479
  418    HB   ILE  55           HB       ILE  55 -12.838  -8.703  -4.485
  419   1HG1  ILE  55          HG12      ILE  55 -15.023 -10.276  -5.884
  420   2HG1  ILE  55          HG13      ILE  55 -13.979 -10.939  -4.618
  421   1HG2  ILE  55          HG21      ILE  55 -14.319  -8.135  -7.069
  422   2HG2  ILE  55          HG22      ILE  55 -14.518  -7.278  -5.534
  423   3HG2  ILE  55          HG23      ILE  55 -13.000  -7.147  -6.409
  424   1HD1  ILE  55          HD11      ILE  55 -15.879  -8.589  -4.277
  425   2HD1  ILE  55          HD12      ILE  55 -16.057 -10.219  -3.609
  426   3HD1  ILE  55          HD13      ILE  55 -14.741  -9.189  -3.044
  427    H    ASP  56           H        ASP  56 -12.193 -12.372  -6.627
  428    HA   ASP  56           HA       ASP  56 -12.483 -12.219  -9.540
  429   1HB   ASP  56          HB2       ASP  56 -10.973 -13.834  -8.469
  430   2HB   ASP  56          HB3       ASP  56 -12.336 -14.594  -7.649
  431    H    VAL  57           H        VAL  57 -14.513 -12.077 -10.476
  432    HA   VAL  57           HA       VAL  57 -16.849 -12.125  -8.851
  433    HB   VAL  57           HB       VAL  57 -18.121 -11.851 -10.914
  434   1HG1  VAL  57          HG11      VAL  57 -15.592 -10.155 -10.955
  435   2HG1  VAL  57          HG12      VAL  57 -17.200  -9.721 -11.582
  436   3HG1  VAL  57          HG13      VAL  57 -16.959  -9.937  -9.846
  437   1HG2  VAL  57          HG21      VAL  57 -16.893 -13.350 -12.454
  438   2HG2  VAL  57          HG22      VAL  57 -17.053 -11.725 -13.119
  439   3HG2  VAL  57          HG23      VAL  57 -15.504 -12.247 -12.429
  440    H    ASP  58           H        ASP  58 -15.245 -14.807 -10.486
  441    HA   ASP  58           HA       ASP  58 -17.620 -16.422 -10.834
  442   1HB   ASP  58          HB2       ASP  58 -15.534 -16.882 -12.052
  443   2HB   ASP  58          HB3       ASP  58 -14.708 -17.242 -10.528
  444    H    GLU  59           H        GLU  59 -15.479 -15.755  -8.129
  445    HA   GLU  59           HA       GLU  59 -16.767 -17.858  -6.451
  446   1HB   GLU  59          HB2       GLU  59 -14.273 -16.159  -6.027
  447   2HB   GLU  59          HB3       GLU  59 -14.915 -17.337  -4.874
  448   1HG   GLU  59          HG2       GLU  59 -14.681 -19.117  -6.646
  449   2HG   GLU  59          HG3       GLU  59 -13.856 -17.934  -7.667
  450    H    ASN  60           H        ASN  60 -17.311 -14.668  -7.279
  451    HA   ASN  60           HA       ASN  60 -18.432 -13.916  -4.623
  452   1HB   ASN  60          HB2       ASN  60 -16.492 -12.236  -6.263
  453   2HB   ASN  60          HB3       ASN  60 -17.366 -11.704  -4.832
  454   1HD2  ASN  60          HD22      ASN  60 -14.604 -13.489  -5.944
  455   2HD2  ASN  60          HD21      ASN  60 -14.015 -13.968  -4.358
  456    H    GLN  61           H        GLN  61 -19.882 -14.878  -6.688
  457    HA   GLN  61           HA       GLN  61 -20.798 -13.080  -8.643
  458   1HB   GLN  61          HB2       GLN  61 -22.777 -15.001  -7.499
  459   2HB   GLN  61          HB3       GLN  61 -22.344 -14.688  -9.160
  460   1HG   GLN  61          HG2       GLN  61 -21.735 -16.932  -8.763
  461   2HG   GLN  61          HG3       GLN  61 -20.213 -16.053  -8.743
  462   1HE2  GLN  61          HE22      GLN  61 -19.096 -17.594  -7.371
  463   2HE2  GLN  61          HE21      GLN  61 -19.520 -17.756  -5.667
  464    H    GLU  62           H        GLU  62 -21.843 -13.744  -5.295
  465    HA   GLU  62           HA       GLU  62 -24.117 -12.061  -5.249
  466   1HB   GLU  62          HB2       GLU  62 -22.245 -13.093  -3.075
  467   2HB   GLU  62          HB3       GLU  62 -23.727 -12.177  -2.734
  468   1HG   GLU  62          HG2       GLU  62 -25.054 -13.898  -3.966
  469   2HG   GLU  62          HG3       GLU  62 -23.585 -14.841  -4.213
  470    H    THR  63           H        THR  63 -20.635 -11.378  -4.401
  471    HA   THR  63           HA       THR  63 -21.211  -8.782  -3.449
  472    HB   THR  63           HB       THR  63 -18.576  -9.422  -4.667
  473    HG1  THR  63           HG1      THR  63 -19.596 -10.539  -2.276
  474   1HG2  THR  63          HG21      THR  63 -17.705  -8.417  -2.555
  475   2HG2  THR  63          HG22      THR  63 -18.729  -7.312  -3.480
  476   3HG2  THR  63          HG23      THR  63 -19.374  -8.121  -2.035
  477    H    ALA  64           H        ALA  64 -20.126  -9.953  -6.700
  478    HA   ALA  64           HA       ALA  64 -19.986  -7.321  -7.800
  479   1HB   ALA  64          HB1       ALA  64 -19.034  -9.451  -8.801
  480   2HB   ALA  64          HB2       ALA  64 -20.685  -9.935  -9.240
  481   3HB   ALA  64          HB3       ALA  64 -19.955  -8.477  -9.953
  482    H    GLY  65           H        GLY  65 -22.671  -9.726  -7.679
  483   1HA   GLY  65          HA2       GLY  65 -24.694  -8.246  -8.922
  484   2HA   GLY  65          HA3       GLY  65 -24.918  -9.466  -7.656
  485    H    LYS  66           H        LYS  66 -23.323  -7.869  -5.677
  486    HA   LYS  66           HA       LYS  66 -25.358  -6.445  -4.383
  487   1HB   LYS  66          HB2       LYS  66 -22.972  -7.422  -3.637
  488   2HB   LYS  66          HB3       LYS  66 -22.454  -5.766  -3.899
  489   1HG   LYS  66          HG2       LYS  66 -24.126  -4.961  -2.272
  490   2HG   LYS  66          HG3       LYS  66 -24.731  -6.608  -2.049
  491   1HD   LYS  66          HD2       LYS  66 -21.906  -5.660  -1.411
  492   2HD   LYS  66          HD3       LYS  66 -23.205  -5.874  -0.227
  493   1HE   LYS  66          HE2       LYS  66 -23.339  -8.318  -0.880
  494   2HE   LYS  66          HE3       LYS  66 -21.951  -8.071  -1.932
  495   1HZ   LYS  66          HZ1       LYS  66 -21.153  -8.979  -0.003
  496   2HZ   LYS  66          HZ2       LYS  66 -20.699  -7.405   0.096
  497   3HZ   LYS  66          HZ3       LYS  66 -21.959  -7.943   0.996
  498    H    TYR  67           H        TYR  67 -23.227  -5.376  -6.957
  499    HA   TYR  67           HA       TYR  67 -24.308  -2.609  -6.690
  500   1HB   TYR  67          HB2       TYR  67 -21.650  -3.176  -7.966
  501   2HB   TYR  67          HB3       TYR  67 -22.237  -1.690  -7.236
  502    HD1  TYR  67           HD1      TYR  67 -22.449  -1.663  -4.596
  503    HD2  TYR  67           HD2      TYR  67 -20.406  -4.768  -6.787
  504    HE1  TYR  67           HE1      TYR  67 -21.330  -2.399  -2.516
  505    HE2  TYR  67           HE2      TYR  67 -19.354  -5.549  -4.747
  506    HH   TYR  67           HH       TYR  67 -19.101  -5.210  -2.419
  507    H    GLY  68           H        GLY  68 -25.047  -5.214  -8.309
  508   1HA   GLY  68          HA2       GLY  68 -26.036  -5.603 -10.313
  509   2HA   GLY  68          HA3       GLY  68 -25.925  -3.872 -10.675
  510    H    VAL  69           H        VAL  69 -23.118  -6.007  -9.996
  511    HA   VAL  69           HA       VAL  69 -22.127  -5.587 -12.787
  512    HB   VAL  69           HB       VAL  69 -20.630  -6.055 -10.163
  513   1HG1  VAL  69          HG11      VAL  69 -19.381  -7.034 -12.038
  514   2HG1  VAL  69          HG12      VAL  69 -19.534  -5.517 -12.957
  515   3HG1  VAL  69          HG13      VAL  69 -18.586  -5.579 -11.454
  516   1HG2  VAL  69          HG21      VAL  69 -20.832  -3.546 -11.892
  517   2HG2  VAL  69          HG22      VAL  69 -21.539  -3.760 -10.280
  518   3HG2  VAL  69          HG23      VAL  69 -19.788  -3.749 -10.468
  519    H    MET  70           H        MET  70 -21.734  -7.384 -13.981
  520    HA   MET  70           HA       MET  70 -20.832  -9.783 -12.730
  521   1HB   MET  70          HB2       MET  70 -23.463  -9.969 -12.758
  522   2HB   MET  70          HB3       MET  70 -23.264 -10.256 -14.487
  523   1HG   MET  70          HG2       MET  70 -23.338 -12.374 -13.257
  524   2HG   MET  70          HG3       MET  70 -21.739 -12.161 -13.958
  525   1HE   MET  70          HE1       MET  70 -21.958 -14.426 -11.882
  526   2HE   MET  70          HE2       MET  70 -20.432 -13.846 -12.593
  527   3HE   MET  70          HE3       MET  70 -20.562 -14.067 -10.838
  528    H    SER  71           H        SER  71 -19.785  -7.744 -14.363
  529    HA   SER  71           HA       SER  71 -18.849  -9.217 -16.695
  530   1HB   SER  71          HB2       SER  71 -19.783  -6.310 -16.796
  531   2HB   SER  71          HB3       SER  71 -19.079  -7.237 -18.131
  532    HG   SER  71           HG       SER  71 -21.370  -7.123 -18.245
  533    H    ILE  72           H        ILE  72 -16.679  -8.390 -17.299
  534    HA   ILE  72           HA       ILE  72 -15.336  -6.810 -15.221
  535    HB   ILE  72           HB       ILE  72 -13.727  -8.539 -14.798
  536   1HG1  ILE  72          HG12      ILE  72 -13.738  -9.839 -16.848
  537   2HG1  ILE  72          HG13      ILE  72 -13.799 -10.795 -15.392
  538   1HG2  ILE  72          HG21      ILE  72 -16.494  -9.608 -14.198
  539   2HG2  ILE  72          HG22      ILE  72 -14.987  -9.984 -13.348
  540   3HG2  ILE  72          HG23      ILE  72 -15.646  -8.341 -13.301
  541   1HD1  ILE  72          HD11      ILE  72 -16.223 -11.244 -15.770
  542   2HD1  ILE  72          HD12      ILE  72 -16.117 -10.336 -17.303
  543   3HD1  ILE  72          HD13      ILE  72 -15.177 -11.812 -17.077
  544    HA   PRO  73           HA       PRO  73 -12.843  -6.629 -14.801
  545   1HB   PRO  73          HB2       PRO  73 -11.225  -4.465 -15.279
  546   2HB   PRO  73          HB3       PRO  73 -10.708  -6.161 -15.463
  547   1HG   PRO  73          HG2       PRO  73 -11.570  -4.219 -17.599
  548   2HG   PRO  73          HG3       PRO  73 -10.256  -5.441 -17.653
  549   1HD   PRO  73          HD2       PRO  73 -12.738  -5.828 -18.795
  550   2HD   PRO  73          HD3       PRO  73 -11.739  -7.160 -18.145
  551    H    THR  74           H        THR  74 -13.825  -5.322 -13.329
  552    HA   THR  74           HA       THR  74 -15.055  -2.781 -14.243
  553    HB   THR  74           HB       THR  74 -16.426  -4.975 -12.646
  554    HG1  THR  74           HG1      THR  74 -17.268  -5.387 -14.480
  555   1HG2  THR  74          HG21      THR  74 -17.054  -2.936 -11.580
  556   2HG2  THR  74          HG22      THR  74 -17.157  -2.054 -13.112
  557   3HG2  THR  74          HG23      THR  74 -18.370  -3.291 -12.710
  558    H    LEU  75           H        LEU  75 -14.289  -1.217 -13.078
  559    HA   LEU  75           HA       LEU  75 -12.805  -1.790 -10.563
  560   1HB   LEU  75          HB2       LEU  75 -12.854   0.654 -12.389
  561   2HB   LEU  75          HB3       LEU  75 -11.958   0.532 -10.884
  562    HG   LEU  75           HG       LEU  75 -11.475  -1.116 -13.406
  563   1HD1  LEU  75          HD11      LEU  75 -10.744   1.234 -13.565
  564   2HD1  LEU  75          HD12      LEU  75  -9.815   1.055 -12.061
  565   3HD1  LEU  75          HD13      LEU  75  -9.353   0.142 -13.504
  566   1HD2  LEU  75          HD21      LEU  75 -10.006  -1.190 -10.734
  567   2HD2  LEU  75          HD22      LEU  75 -10.918  -2.509 -11.503
  568   3HD2  LEU  75          HD23      LEU  75  -9.430  -1.940 -12.246
  569    H    LEU  76           H        LEU  76 -13.600  -0.914  -8.678
  570    HA   LEU  76           HA       LEU  76 -15.879   1.011  -8.848
  571   1HB   LEU  76          HB2       LEU  76 -15.695  -1.504  -7.199
  572   2HB   LEU  76          HB3       LEU  76 -16.262  -0.039  -6.410
  573    HG   LEU  76           HG       LEU  76 -18.022   0.229  -8.145
  574   1HD1  LEU  76          HD11      LEU  76 -17.071  -1.185  -9.942
  575   2HD1  LEU  76          HD12      LEU  76 -17.257  -2.625  -8.925
  576   3HD1  LEU  76          HD13      LEU  76 -18.685  -1.725  -9.486
  577   1HD2  LEU  76          HD21      LEU  76 -18.112  -2.391  -6.583
  578   2HD2  LEU  76          HD22      LEU  76 -18.438  -0.787  -5.905
  579   3HD2  LEU  76          HD23      LEU  76 -19.498  -1.444  -7.156
  580    H    VAL  77           H        VAL  77 -15.462   2.818  -7.658
  581    HA   VAL  77           HA       VAL  77 -13.020   2.810  -5.938
  582    HB   VAL  77           HB       VAL  77 -14.578   5.248  -6.871
  583   1HG1  VAL  77          HG11      VAL  77 -13.253   5.520  -4.801
  584   2HG1  VAL  77          HG12      VAL  77 -11.809   4.900  -5.629
  585   3HG1  VAL  77          HG13      VAL  77 -12.536   6.441  -6.126
  586   1HG2  VAL  77          HG21      VAL  77 -12.700   5.707  -8.437
  587   2HG2  VAL  77          HG22      VAL  77 -12.015   4.107  -8.077
  588   3HG2  VAL  77          HG23      VAL  77 -13.585   4.253  -8.898
  589    H    LEU  78           H        LEU  78 -13.496   2.633  -3.856
  590    HA   LEU  78           HA       LEU  78 -16.206   3.336  -2.836
  591   1HB   LEU  78          HB2       LEU  78 -14.395   1.122  -1.777
  592   2HB   LEU  78          HB3       LEU  78 -15.966   1.593  -1.167
  593    HG   LEU  78           HG       LEU  78 -16.636   0.993  -3.769
  594   1HD1  LEU  78          HD11      LEU  78 -15.536  -1.118  -4.384
  595   2HD1  LEU  78          HD12      LEU  78 -14.362   0.205  -4.329
  596   3HD1  LEU  78          HD13      LEU  78 -14.431  -0.966  -3.006
  597   1HD2  LEU  78          HD21      LEU  78 -17.513  -1.131  -2.923
  598   2HD2  LEU  78          HD22      LEU  78 -16.495  -1.001  -1.474
  599   3HD2  LEU  78          HD23      LEU  78 -17.795   0.168  -1.759
  600    H    LYS  79           H        LYS  79 -16.142   4.112  -0.596
  601    HA   LYS  79           HA       LYS  79 -13.496   4.863   0.445
  602   1HB   LYS  79          HB2       LYS  79 -14.256   6.728  -1.056
  603   2HB   LYS  79          HB3       LYS  79 -15.679   6.948  -0.027
  604   1HG   LYS  79          HG2       LYS  79 -14.260   7.563   1.879
  605   2HG   LYS  79          HG3       LYS  79 -12.804   7.105   0.984
  606   1HD   LYS  79          HD2       LYS  79 -13.478   8.885  -0.754
  607   2HD   LYS  79          HD3       LYS  79 -14.668   9.455   0.429
  608   1HE   LYS  79          HE2       LYS  79 -12.874   9.961   2.037
  609   2HE   LYS  79          HE3       LYS  79 -11.683   9.168   0.999
  610   1HZ   LYS  79          HZ1       LYS  79 -11.431  11.435   0.549
  611   2HZ   LYS  79          HZ2       LYS  79 -12.250  10.874  -0.712
  612   3HZ   LYS  79          HZ3       LYS  79 -13.058  11.716   0.452
  613    H    ASP  80           H        ASP  80 -13.505   4.313   2.538
  614    HA   ASP  80           HA       ASP  80 -14.208   3.621   4.539
  615   1HB   ASP  80          HB2       ASP  80 -14.144   6.085   4.683
  616   2HB   ASP  80          HB3       ASP  80 -15.875   6.150   4.348
  617    H    GLY  81           H        GLY  81 -15.647   2.232   2.540
  618   1HA   GLY  81          HA2       GLY  81 -16.934   0.398   3.102
  619   2HA   GLY  81          HA3       GLY  81 -17.906   1.346   4.222
  620    H    GLU  82           H        GLU  82 -17.853   3.231   1.399
  621    HA   GLU  82           HA       GLU  82 -20.131   1.736   0.206
  622   1HB   GLU  82          HB2       GLU  82 -21.432   3.682   0.148
  623   2HB   GLU  82          HB3       GLU  82 -20.762   3.572   1.783
  624   1HG   GLU  82          HG2       GLU  82 -19.056   5.284   1.183
  625   2HG   GLU  82          HG3       GLU  82 -19.781   5.436  -0.419
  626    H    VAL  83           H        VAL  83 -20.376   1.917  -2.023
  627    HA   VAL  83           HA       VAL  83 -18.049   2.609  -3.616
  628    HB   VAL  83           HB       VAL  83 -19.397   0.758  -4.257
  629   1HG1  VAL  83          HG11      VAL  83 -21.697   0.913  -5.090
  630   2HG1  VAL  83          HG12      VAL  83 -21.610   1.308  -3.377
  631   3HG1  VAL  83          HG13      VAL  83 -21.785   2.611  -4.578
  632   1HG2  VAL  83          HG21      VAL  83 -19.817   1.273  -6.602
  633   2HG2  VAL  83          HG22      VAL  83 -19.801   3.009  -6.261
  634   3HG2  VAL  83          HG23      VAL  83 -18.322   2.044  -6.051
  635    H    VAL  84           H        VAL  84 -17.619   4.372  -4.668
  636    HA   VAL  84           HA       VAL  84 -19.536   6.637  -4.598
  637    HB   VAL  84           HB       VAL  84 -17.651   8.166  -4.403
  638   1HG1  VAL  84          HG11      VAL  84 -18.836   7.389  -2.360
  639   2HG1  VAL  84          HG12      VAL  84 -17.610   6.123  -2.139
  640   3HG1  VAL  84          HG13      VAL  84 -17.151   7.834  -2.049
  641   1HG2  VAL  84          HG21      VAL  84 -15.836   6.749  -5.373
  642   2HG2  VAL  84          HG22      VAL  84 -15.400   7.469  -3.819
  643   3HG2  VAL  84          HG23      VAL  84 -15.853   5.760  -3.889
  644    H    GLU  85           H        GLU  85 -17.419   4.574  -6.558
  645    HA   GLU  85           HA       GLU  85 -18.718   5.780  -8.871
  646   1HB   GLU  85          HB2       GLU  85 -16.751   7.302  -8.449
  647   2HB   GLU  85          HB3       GLU  85 -15.675   5.932  -8.678
  648   1HG   GLU  85          HG2       GLU  85 -15.799   7.413 -10.619
  649   2HG   GLU  85          HG3       GLU  85 -16.266   5.776 -11.016
  650    H    THR  86           H        THR  86 -18.190   4.606 -10.904
  651    HA   THR  86           HA       THR  86 -17.000   1.916 -10.592
  652    HB   THR  86           HB       THR  86 -19.732   2.523 -11.805
  653    HG1  THR  86           HG1      THR  86 -19.647   2.436  -9.514
  654   1HG2  THR  86          HG21      THR  86 -18.779   0.716 -13.085
  655   2HG2  THR  86          HG22      THR  86 -18.187  -0.094 -11.622
  656   3HG2  THR  86          HG23      THR  86 -19.932   0.007 -11.950
  657    H    SER  87           H        SER  87 -16.062   1.174 -12.562
  658    HA   SER  87           HA       SER  87 -16.452   2.627 -15.079
  659   1HB   SER  87          HB2       SER  87 -13.767   2.384 -13.644
  660   2HB   SER  87          HB3       SER  87 -13.900   2.622 -15.395
  661    HG   SER  87           HG       SER  87 -15.287   4.312 -13.621
  662    H    VAL  88           H        VAL  88 -15.812   1.213 -16.895
  663    HA   VAL  88           HA       VAL  88 -15.366  -1.633 -16.148
  664    HB   VAL  88           HB       VAL  88 -17.470  -0.609 -18.101
  665   1HG1  VAL  88          HG11      VAL  88 -16.850  -3.427 -17.105
  666   2HG1  VAL  88          HG12      VAL  88 -18.243  -2.980 -18.112
  667   3HG1  VAL  88          HG13      VAL  88 -16.613  -2.814 -18.757
  668   1HG2  VAL  88          HG21      VAL  88 -19.150  -1.500 -16.500
  669   2HG2  VAL  88          HG22      VAL  88 -17.855  -1.812 -15.329
  670   3HG2  VAL  88          HG23      VAL  88 -18.252  -0.148 -15.818
  671    H    GLY  89           H        GLY  89 -14.123  -2.761 -17.614
  672   1HA   GLY  89          HA2       GLY  89 -12.894  -3.187 -19.532
  673   2HA   GLY  89          HA3       GLY  89 -13.407  -1.651 -20.235
  674    H    PHE  90           H        PHE  90 -10.950  -2.012 -20.735
  675    HA   PHE  90           HA       PHE  90  -8.966  -1.428 -18.763
  676   1HB   PHE  90          HB2       PHE  90  -8.526  -2.528 -20.932
  677   2HB   PHE  90          HB3       PHE  90  -8.975  -1.057 -21.785
  678    HD1  PHE  90           HD1      PHE  90  -7.458   0.876 -21.877
  679    HD2  PHE  90           HD2      PHE  90  -6.391  -2.692 -19.690
  680    HE1  PHE  90           HE1      PHE  90  -5.113   1.670 -21.722
  681    HE2  PHE  90           HE2      PHE  90  -4.041  -1.898 -19.567
  682    HZ   PHE  90           HZ       PHE  90  -3.401   0.283 -20.566
  683    H    LYS  91           H        LYS  91  -7.870   0.510 -18.315
  684    HA   LYS  91           HA       LYS  91  -8.624   2.995 -19.617
  685   1HB   LYS  91          HB2       LYS  91  -9.158   2.441 -16.685
  686   2HB   LYS  91          HB3       LYS  91  -8.424   3.992 -17.101
  687   1HG   LYS  91          HG2       LYS  91 -10.222   4.485 -18.690
  688   2HG   LYS  91          HG3       LYS  91 -11.024   2.951 -18.287
  689   1HD   LYS  91          HD2       LYS  91 -11.318   3.701 -15.948
  690   2HD   LYS  91          HD3       LYS  91 -10.465   5.218 -16.319
  691   1HE   LYS  91          HE2       LYS  91 -12.194   5.745 -18.044
  692   2HE   LYS  91          HE3       LYS  91 -13.062   4.265 -17.622
  693   1HZ   LYS  91          HZ1       LYS  91 -13.979   6.236 -16.544
  694   2HZ   LYS  91          HZ2       LYS  91 -13.471   5.176 -15.420
  695   3HZ   LYS  91          HZ3       LYS  91 -12.582   6.523 -15.758
  696    HA   PRO  92           HA       PRO  92  -4.185   3.155 -19.102
  697   1HB   PRO  92          HB2       PRO  92  -3.633   5.778 -19.618
  698   2HB   PRO  92          HB3       PRO  92  -4.234   4.656 -20.881
  699   1HG   PRO  92          HG2       PRO  92  -5.831   6.640 -19.247
  700   2HG   PRO  92          HG3       PRO  92  -5.862   6.390 -21.020
  701   1HD   PRO  92          HD2       PRO  92  -7.694   5.237 -19.331
  702   2HD   PRO  92          HD3       PRO  92  -7.124   4.417 -20.817
  703    H    LYS  93           H        LYS  93  -2.530   3.997 -17.628
  704    HA   LYS  93           HA       LYS  93  -3.381   4.122 -14.961
  705   1HB   LYS  93          HB2       LYS  93  -1.154   5.113 -14.461
  706   2HB   LYS  93          HB3       LYS  93  -1.116   3.526 -15.244
  707   1HG   LYS  93          HG2       LYS  93  -0.389   4.557 -17.335
  708   2HG   LYS  93          HG3       LYS  93  -0.564   6.178 -16.664
  709   1HD   LYS  93          HD2       LYS  93   1.411   4.080 -15.725
  710   2HD   LYS  93          HD3       LYS  93   1.757   5.515 -16.708
  711   1HE   LYS  93          HE2       LYS  93   1.064   6.983 -14.829
  712   2HE   LYS  93          HE3       LYS  93   0.740   5.558 -13.832
  713   1HZ   LYS  93          HZ1       LYS  93   3.089   4.964 -14.013
  714   2HZ   LYS  93          HZ2       LYS  93   3.389   6.321 -14.891
  715   3HZ   LYS  93          HZ3       LYS  93   2.891   6.458 -13.334
  716    H    GLU  94           H        GLU  94  -2.305   6.812 -16.948
  717    HA   GLU  94           HA       GLU  94  -2.350   8.719 -15.019
  718   1HB   GLU  94          HB2       GLU  94  -1.368   8.860 -17.332
  719   2HB   GLU  94          HB3       GLU  94  -2.984   9.214 -17.965
  720   1HG   GLU  94          HG2       GLU  94  -3.085  11.235 -16.523
  721   2HG   GLU  94          HG3       GLU  94  -1.501  10.831 -15.852
  722    H    ALA  95           H        ALA  95  -5.063   7.720 -17.073
  723    HA   ALA  95           HA       ALA  95  -6.929   9.710 -16.128
  724   1HB   ALA  95          HB1       ALA  95  -8.616   8.234 -17.188
  725   2HB   ALA  95          HB2       ALA  95  -7.228   8.485 -18.270
  726   3HB   ALA  95          HB3       ALA  95  -7.397   6.956 -17.362
  727    H    LEU  96           H        LEU  96  -6.186   6.308 -15.222
  728    HA   LEU  96           HA       LEU  96  -8.302   6.132 -13.328
  729   1HB   LEU  96          HB2       LEU  96  -7.305   4.193 -14.416
  730   2HB   LEU  96          HB3       LEU  96  -5.747   4.522 -13.665
  731    HG   LEU  96           HG       LEU  96  -6.679   4.050 -11.438
  732   1HD1  LEU  96          HD11      LEU  96  -8.947   3.086 -11.178
  733   2HD1  LEU  96          HD12      LEU  96  -9.006   4.769 -11.677
  734   3HD1  LEU  96          HD13      LEU  96  -9.308   3.489 -12.875
  735   1HD2  LEU  96          HD21      LEU  96  -7.345   1.899 -13.503
  736   2HD2  LEU  96          HD22      LEU  96  -5.742   2.215 -12.810
  737   3HD2  LEU  96          HD23      LEU  96  -7.046   1.624 -11.776
  738    H    GLN  97           H        GLN  97  -4.842   7.126 -12.997
  739    HA   GLN  97           HA       GLN  97  -5.101   7.383 -10.135
  740   1HB   GLN  97          HB2       GLN  97  -2.934   8.315 -10.062
  741   2HB   GLN  97          HB3       GLN  97  -2.928   6.975 -11.194
  742   1HG   GLN  97          HG2       GLN  97  -1.634   8.571 -12.279
  743   2HG   GLN  97          HG3       GLN  97  -3.212   8.722 -13.032
  744   1HE2  GLN  97          HE22      GLN  97  -3.782  10.818 -13.434
  745   2HE2  GLN  97          HE21      GLN  97  -3.254  12.197 -12.483
  746    H    GLU  98           H        GLU  98  -5.784   9.495 -12.914
  747    HA   GLU  98           HA       GLU  98  -6.046  11.895 -11.398
  748   1HB   GLU  98          HB2       GLU  98  -5.938  11.898 -13.856
  749   2HB   GLU  98          HB3       GLU  98  -7.478  11.036 -13.950
  750   1HG   GLU  98          HG2       GLU  98  -8.549  12.941 -12.712
  751   2HG   GLU  98          HG3       GLU  98  -7.022  13.822 -12.831
  752    H    LEU  99           H        LEU  99  -8.345   9.317 -12.350
  753    HA   LEU  99           HA       LEU  99 -10.613  10.334 -11.014
  754   1HB   LEU  99          HB2       LEU  99 -10.683   8.504 -12.676
  755   2HB   LEU  99          HB3       LEU  99  -9.829   7.438 -11.562
  756    HG   LEU  99           HG       LEU  99 -11.731   7.544  -9.969
  757   1HD1  LEU  99          HD11      LEU  99 -13.078   9.213 -12.147
  758   2HD1  LEU  99          HD12      LEU  99 -13.892   8.514 -10.731
  759   3HD1  LEU  99          HD13      LEU  99 -12.673   9.751 -10.498
  760   1HD2  LEU  99          HD21      LEU  99 -12.541   6.748 -12.796
  761   2HD2  LEU  99          HD22      LEU  99 -11.623   5.747 -11.652
  762   3HD2  LEU  99          HD23      LEU  99 -13.296   6.189 -11.289
  763    H    VAL 100           H        VAL 100  -8.050   8.113  -9.801
  764    HA   VAL 100           HA       VAL 100  -9.162   7.753  -7.215
  765    HB   VAL 100           HB       VAL 100  -6.403   7.489  -8.417
  766   1HG1  VAL 100          HG11      VAL 100  -7.049   7.175  -5.471
  767   2HG1  VAL 100          HG12      VAL 100  -5.657   6.405  -6.277
  768   3HG1  VAL 100          HG13      VAL 100  -5.780   8.161  -6.216
  769   1HG2  VAL 100          HG21      VAL 100  -6.816   5.095  -7.917
  770   2HG2  VAL 100          HG22      VAL 100  -8.370   5.515  -7.173
  771   3HG2  VAL 100          HG23      VAL 100  -8.117   5.768  -8.905
  772    H    ASN 101           H        ASN 101  -6.721  10.186  -8.358
  773    HA   ASN 101           HA       ASN 101  -6.529  11.368  -5.791
  774   1HB   ASN 101          HB2       ASN 101  -4.891  12.553  -6.629
  775   2HB   ASN 101          HB3       ASN 101  -5.108  11.670  -8.124
  776   1HD2  ASN 101          HD22      ASN 101  -6.752  12.713  -9.723
  777   2HD2  ASN 101          HD21      ASN 101  -6.620  14.452  -9.856
  778    H    LYS 102           H        LYS 102  -8.877  11.923  -8.357
  779    HA   LYS 102           HA       LYS 102 -10.051  14.270  -7.160
  780   1HB   LYS 102          HB2       LYS 102 -11.037  12.193  -9.152
  781   2HB   LYS 102          HB3       LYS 102 -12.085  13.485  -8.563
  782   1HG   LYS 102          HG2       LYS 102 -10.616  15.203  -9.391
  783   2HG   LYS 102          HG3       LYS 102  -9.372  14.028  -9.843
  784   1HD   LYS 102          HD2       LYS 102 -10.770  13.084 -11.580
  785   2HD   LYS 102          HD3       LYS 102 -12.168  14.051 -11.055
  786   1HE   LYS 102          HE2       LYS 102 -11.018  16.129 -11.619
  787   2HE   LYS 102          HE3       LYS 102  -9.544  15.256 -12.046
  788   1HZ   LYS 102          HZ1       LYS 102 -10.984  15.934 -13.943
  789   2HZ   LYS 102          HZ2       LYS 102 -10.592  14.357 -13.953
  790   3HZ   LYS 102          HZ3       LYS 102 -12.102  14.845 -13.479
  791    H    HIS 103           H        HIS 103 -10.325  10.824  -6.343
  792    HA   HIS 103           HA       HIS 103 -12.653  11.395  -4.597
  793   1HB   HIS 103          HB2       HIS 103 -11.328   8.839  -5.544
  794   2HB   HIS 103          HB3       HIS 103 -12.491   8.862  -4.223
  795    HD1  HIS 103           HD1      HIS 103 -14.981  10.130  -4.961
  796    HD2  HIS 103           HD2      HIS 103 -12.445   8.489  -7.891
  797    HE1  HIS 103           HE1      HIS 103 -16.418   9.755  -7.028
  798    H    LEU 104           H        LEU 104  -9.177  11.089  -4.300
  799    HA   LEU 104           HA       LEU 104  -8.983  10.253  -1.605
  800   1HB   LEU 104          HB2       LEU 104  -7.288  12.280  -3.103
  801   2HB   LEU 104          HB3       LEU 104  -6.920  11.668  -1.500
  802    HG   LEU 104           HG       LEU 104  -6.999  10.016  -4.050
  803   1HD1  LEU 104          HD11      LEU 104  -4.682  10.817  -2.252
  804   2HD1  LEU 104          HD12      LEU 104  -4.586   9.818  -3.721
  805   3HD1  LEU 104          HD13      LEU 104  -5.051  11.520  -3.839
  806   1HD2  LEU 104          HD21      LEU 104  -6.042   8.182  -2.654
  807   2HD2  LEU 104          HD22      LEU 104  -6.414   9.135  -1.198
  808   3HD2  LEU 104          HD23      LEU 104  -7.716   8.556  -2.264
  Start of MODEL   18
    1   1H    MET   1          H1        MET   1   1.782  -0.395   0.566
    2   2H    MET   1          H2        MET   1   3.379  -0.275   0.227
    3   3H    MET   1          H3        MET   1   2.422   1.064   0.184
    4    HA   MET   1           HA       MET   1   1.176   0.187  -1.668
    5   1HB   MET   1          HB2       MET   1   4.182   0.383  -2.100
    6   2HB   MET   1          HB3       MET   1   3.001   0.193  -3.396
    7   1HG   MET   1          HG2       MET   1   3.456   2.486  -3.289
    8   2HG   MET   1          HG3       MET   1   1.843   2.260  -2.629
    9   1HE   MET   1          HE1       MET   1   3.019   5.431  -0.764
   10   2HE   MET   1          HE2       MET   1   3.343   4.967  -2.450
   11   3HE   MET   1          HE3       MET   1   1.742   4.667  -1.737
   12    H    ALA   2           H        ALA   2   0.154  -1.747  -1.507
   13    HA   ALA   2           HA       ALA   2   1.262  -3.853  -3.029
   14   1HB   ALA   2          HB1       ALA   2   2.218  -4.641  -0.860
   15   2HB   ALA   2          HB2       ALA   2   0.612  -4.501  -0.099
   16   3HB   ALA   2          HB3       ALA   2   0.887  -5.687  -1.391
   17    H    ILE   3           H        ILE   3  -0.409  -4.961  -3.946
   18    HA   ILE   3           HA       ILE   3  -3.116  -3.930  -3.595
   19    HB   ILE   3           HB       ILE   3  -1.880  -6.080  -5.379
   20   1HG1  ILE   3          HG12      ILE   3  -2.753  -3.209  -5.959
   21   2HG1  ILE   3          HG13      ILE   3  -1.091  -3.732  -5.761
   22   1HG2  ILE   3          HG21      ILE   3  -4.256  -6.610  -5.130
   23   2HG2  ILE   3          HG22      ILE   3  -4.708  -4.929  -5.474
   24   3HG2  ILE   3          HG23      ILE   3  -3.985  -5.959  -6.727
   25   1HD1  ILE   3          HD11      ILE   3  -2.930  -4.493  -8.023
   26   2HD1  ILE   3          HD12      ILE   3  -1.467  -3.498  -8.053
   27   3HD1  ILE   3          HD13      ILE   3  -1.323  -5.234  -7.705
   28    H    VAL   4           H        VAL   4  -4.928  -5.353  -3.015
   29    HA   VAL   4           HA       VAL   4  -4.191  -7.546  -1.133
   30    HB   VAL   4           HB       VAL   4  -6.340  -5.407  -0.824
   31   1HG1  VAL   4          HG11      VAL   4  -5.376  -7.544   1.124
   32   2HG1  VAL   4          HG12      VAL   4  -6.431  -6.185   1.556
   33   3HG1  VAL   4          HG13      VAL   4  -7.009  -7.382   0.418
   34   1HG2  VAL   4          HG21      VAL   4  -3.617  -5.622   0.530
   35   2HG2  VAL   4          HG22      VAL   4  -4.179  -4.313  -0.535
   36   3HG2  VAL   4          HG23      VAL   4  -4.914  -4.525   1.048
   37    H    LYS   5           H        LYS   5  -6.257  -8.939  -0.762
   38    HA   LYS   5           HA       LYS   5  -7.969  -9.154  -3.177
   39   1HB   LYS   5          HB2       LYS   5  -6.380 -11.407  -1.863
   40   2HB   LYS   5          HB3       LYS   5  -7.742 -11.675  -2.935
   41   1HG   LYS   5          HG2       LYS   5  -6.550 -11.370  -4.793
   42   2HG   LYS   5          HG3       LYS   5  -5.800  -9.889  -4.220
   43   1HD   LYS   5          HD2       LYS   5  -4.862 -12.673  -3.429
   44   2HD   LYS   5          HD3       LYS   5  -4.186 -11.713  -4.757
   45   1HE   LYS   5          HE2       LYS   5  -3.615  -9.889  -3.169
   46   2HE   LYS   5          HE3       LYS   5  -4.255 -10.847  -1.830
   47   1HZ   LYS   5          HZ1       LYS   5  -1.949 -11.624  -3.525
   48   2HZ   LYS   5          HZ2       LYS   5  -1.857 -11.065  -1.998
   49   3HZ   LYS   5          HZ3       LYS   5  -2.543 -12.513  -2.288
   50    H    ALA   6           H        ALA   6 -10.071  -9.783  -2.602
   51    HA   ALA   6           HA       ALA   6 -10.563 -10.731   0.140
   52   1HB   ALA   6          HB1       ALA   6 -10.724  -8.222   0.267
   53   2HB   ALA   6          HB2       ALA   6 -12.006  -8.285  -0.965
   54   3HB   ALA   6          HB3       ALA   6 -12.248  -9.048   0.621
   55    H    THR   7           H        THR   7 -13.008 -11.243   0.368
   56    HA   THR   7           HA       THR   7 -14.235 -12.088  -2.167
   57    HB   THR   7           HB       THR   7 -14.768 -14.286  -1.124
   58    HG1  THR   7           HG1      THR   7 -14.494 -14.446   0.870
   59   1HG2  THR   7          HG21      THR   7 -12.736 -14.080  -2.590
   60   2HG2  THR   7          HG22      THR   7 -11.753 -13.876  -1.122
   61   3HG2  THR   7          HG23      THR   7 -12.651 -15.383  -1.388
   62    H    ASP   8           H        ASP   8 -16.625 -12.780  -1.548
   63    HA   ASP   8           HA       ASP   8 -17.994 -10.621  -0.579
   64   1HB   ASP   8          HB2       ASP   8 -18.916 -12.726  -1.754
   65   2HB   ASP   8          HB3       ASP   8 -18.990 -13.468  -0.165
   66    H    GLN   9           H        GLN   9 -16.615 -13.187   1.333
   67    HA   GLN   9           HA       GLN   9 -17.991 -12.840   3.783
   68   1HB   GLN   9          HB2       GLN   9 -15.225 -13.959   3.129
   69   2HB   GLN   9          HB3       GLN   9 -16.011 -14.091   4.701
   70   1HG   GLN   9          HG2       GLN   9 -16.396 -16.170   3.630
   71   2HG   GLN   9          HG3       GLN   9 -17.930 -15.310   3.621
   72   1HE2  GLN   9          HE22      GLN   9 -18.779 -16.509   1.778
   73   2HE2  GLN   9          HE21      GLN   9 -18.119 -16.293   0.175
   74    H    SER  10           H        SER  10 -15.159 -11.128   2.450
   75    HA   SER  10           HA       SER  10 -15.052  -9.475   4.945
   76   1HB   SER  10          HB2       SER  10 -12.626 -10.672   3.546
   77   2HB   SER  10          HB3       SER  10 -12.645  -9.755   5.061
   78    HG   SER  10           HG       SER  10 -12.507 -12.018   5.404
   79    H    PHE  11           H        PHE  11 -15.202  -9.356   1.572
   80    HA   PHE  11           HA       PHE  11 -13.644  -7.153   0.858
   81   1HB   PHE  11          HB2       PHE  11 -14.968  -8.545  -0.676
   82   2HB   PHE  11          HB3       PHE  11 -16.467  -7.955   0.026
   83    HD1  PHE  11           HD1      PHE  11 -13.686  -7.231  -2.264
   84    HD2  PHE  11           HD2      PHE  11 -17.251  -5.626  -0.431
   85    HE1  PHE  11           HE1      PHE  11 -13.759  -5.451  -3.967
   86    HE2  PHE  11           HE2      PHE  11 -17.287  -3.809  -2.120
   87    HZ   PHE  11           HZ       PHE  11 -15.583  -3.739  -3.913
   88    H    SER  12           H        SER  12 -16.783  -7.210   2.607
   89    HA   SER  12           HA       SER  12 -17.200  -4.418   2.453
   90   1HB   SER  12          HB2       SER  12 -18.228  -6.307   4.607
   91   2HB   SER  12          HB3       SER  12 -18.987  -4.813   4.027
   92    HG   SER  12           HG       SER  12 -19.938  -6.699   3.121
   93    H    ALA  13           H        ALA  13 -15.395  -6.386   4.806
   94    HA   ALA  13           HA       ALA  13 -15.032  -4.232   6.691
   95   1HB   ALA  13          HB1       ALA  13 -13.299  -5.700   7.658
   96   2HB   ALA  13          HB2       ALA  13 -14.803  -6.597   7.373
   97   3HB   ALA  13          HB3       ALA  13 -13.421  -6.794   6.268
   98    H    GLU  14           H        GLU  14 -13.136  -5.671   4.002
   99    HA   GLU  14           HA       GLU  14 -10.832  -4.080   4.365
  100   1HB   GLU  14          HB2       GLU  14 -11.956  -5.563   1.954
  101   2HB   GLU  14          HB3       GLU  14 -10.404  -4.733   1.892
  102   1HG   GLU  14          HG2       GLU  14 -11.140  -6.894   3.898
  103   2HG   GLU  14          HG3       GLU  14 -10.230  -7.169   2.406
  104    H    THR  15           H        THR  15 -13.794  -3.434   2.476
  105    HA   THR  15           HA       THR  15 -12.654  -1.080   1.270
  106    HB   THR  15           HB       THR  15 -15.010  -0.821   0.387
  107    HG1  THR  15           HG1      THR  15 -15.302  -3.477   1.320
  108   1HG2  THR  15          HG21      THR  15 -13.426  -3.377  -0.169
  109   2HG2  THR  15          HG22      THR  15 -14.751  -2.749  -1.174
  110   3HG2  THR  15          HG23      THR  15 -13.278  -1.806  -0.979
  111    H    SER  16           H        SER  16 -13.502  -1.484   4.413
  112    HA   SER  16           HA       SER  16 -14.891   1.143   4.606
  113   1HB   SER  16          HB2       SER  16 -15.196  -1.316   6.360
  114   2HB   SER  16          HB3       SER  16 -16.025   0.236   6.586
  115    HG   SER  16           HG       SER  16 -16.431  -1.768   4.721
  116    H    GLU  17           H        GLU  17 -12.025   0.926   4.574
  117    HA   GLU  17           HA       GLU  17 -11.612   2.444   7.073
  118   1HB   GLU  17          HB2       GLU  17  -9.500   1.242   7.572
  119   2HB   GLU  17          HB3       GLU  17 -10.954   0.270   7.770
  120   1HG   GLU  17          HG2       GLU  17 -10.541  -0.915   5.681
  121   2HG   GLU  17          HG3       GLU  17  -9.202   0.164   5.287
  122    H    GLY  18           H        GLY  18 -11.625   2.860   3.916
  123   1HA   GLY  18          HA2       GLY  18 -10.078   5.135   3.915
  124   2HA   GLY  18          HA3       GLY  18  -8.985   3.839   3.333
  125    H    VAL  19           H        VAL  19  -9.029   5.304   1.353
  126    HA   VAL  19           HA       VAL  19 -11.399   4.964  -0.382
  127    HB   VAL  19           HB       VAL  19  -8.572   5.951  -1.003
  128   1HG1  VAL  19          HG11      VAL  19 -11.147   6.083  -2.655
  129   2HG1  VAL  19          HG12      VAL  19  -9.595   6.825  -3.098
  130   3HG1  VAL  19          HG13      VAL  19  -9.742   5.068  -3.021
  131   1HG2  VAL  19          HG21      VAL  19  -9.817   7.496   0.536
  132   2HG2  VAL  19          HG22      VAL  19  -9.499   8.192  -1.051
  133   3HG2  VAL  19          HG23      VAL  19 -11.116   7.584  -0.682
  134    H    VAL  20           H        VAL  20 -11.593   3.135  -1.712
  135    HA   VAL  20           HA       VAL  20  -9.301   1.266  -1.845
  136    HB   VAL  20           HB       VAL  20 -12.101   0.454  -0.957
  137   1HG1  VAL  20          HG11      VAL  20 -10.929  -1.733  -0.521
  138   2HG1  VAL  20          HG12      VAL  20 -10.977  -1.298  -2.234
  139   3HG1  VAL  20          HG13      VAL  20  -9.483  -1.066  -1.312
  140   1HG2  VAL  20          HG21      VAL  20 -10.783  -0.191   1.203
  141   2HG2  VAL  20          HG22      VAL  20  -9.568   0.945   0.652
  142   3HG2  VAL  20          HG23      VAL  20 -11.230   1.491   0.967
  143    H    LEU  21           H        LEU  21  -8.961   0.830  -3.894
  144    HA   LEU  21           HA       LEU  21 -11.083   1.146  -5.940
  145   1HB   LEU  21          HB2       LEU  21  -8.883   2.156  -6.381
  146   2HB   LEU  21          HB3       LEU  21  -8.084   0.612  -6.058
  147    HG   LEU  21           HG       LEU  21  -9.197  -0.369  -8.075
  148   1HD1  LEU  21          HD11      LEU  21 -10.243   1.184  -9.706
  149   2HD1  LEU  21          HD12      LEU  21 -11.205   1.058  -8.230
  150   3HD1  LEU  21          HD13      LEU  21 -10.175   2.487  -8.519
  151   1HD2  LEU  21          HD21      LEU  21  -7.847   0.859  -9.722
  152   2HD2  LEU  21          HD22      LEU  21  -7.636   2.205  -8.580
  153   3HD2  LEU  21          HD23      LEU  21  -6.941   0.611  -8.224
  154    H    ALA  22           H        ALA  22 -12.393  -0.646  -5.731
  155    HA   ALA  22           HA       ALA  22 -11.245  -3.352  -5.419
  156   1HB   ALA  22          HB1       ALA  22 -14.073  -2.321  -5.913
  157   2HB   ALA  22          HB2       ALA  22 -13.629  -4.031  -5.732
  158   3HB   ALA  22          HB3       ALA  22 -13.401  -2.902  -4.369
  159    H    ASP  23           H        ASP  23 -11.160  -4.817  -7.084
  160    HA   ASP  23           HA       ASP  23 -11.872  -3.950  -9.844
  161   1HB   ASP  23          HB2       ASP  23  -9.486  -3.629  -9.690
  162   2HB   ASP  23          HB3       ASP  23  -9.277  -5.201  -8.918
  163    H    PHE  24           H        PHE  24 -13.587  -5.137 -10.088
  164    HA   PHE  24           HA       PHE  24 -13.852  -7.920  -9.221
  165   1HB   PHE  24          HB2       PHE  24 -15.629  -6.032 -10.820
  166   2HB   PHE  24          HB3       PHE  24 -16.032  -7.699 -10.463
  167    HD1  PHE  24           HD1      PHE  24 -16.949  -8.337  -8.323
  168    HD2  PHE  24           HD2      PHE  24 -15.338  -4.372  -8.877
  169    HE1  PHE  24           HE1      PHE  24 -17.763  -7.687  -6.080
  170    HE2  PHE  24           HE2      PHE  24 -16.139  -3.743  -6.620
  171    HZ   PHE  24           HZ       PHE  24 -17.315  -5.401  -5.205
  172    H    TRP  25           H        TRP  25 -12.838  -9.449 -10.427
  173    HA   TRP  25           HA       TRP  25 -12.365  -8.945 -13.326
  174   1HB   TRP  25          HB2       TRP  25 -10.081  -9.378 -13.154
  175   2HB   TRP  25          HB3       TRP  25 -10.421  -8.196 -11.911
  176    HD1  TRP  25           HD1      TRP  25 -10.759  -9.401  -9.364
  177    HE1  TRP  25           HE1      TRP  25  -9.421 -11.289  -8.266
  178    HE3  TRP  25           HE3      TRP  25  -8.505 -11.309 -13.543
  179    HZ2  TRP  25           HZ2      TRP  25  -7.526 -13.313  -9.089
  180    HZ3  TRP  25           HZ3      TRP  25  -6.886 -13.174 -13.342
  181    HH2  TRP  25           HH2      TRP  25  -6.411 -14.203 -11.135
  182    H    ALA  26           H        ALA  26 -11.271 -11.029 -14.301
  183    HA   ALA  26           HA       ALA  26 -11.788 -13.504 -12.913
  184   1HB   ALA  26          HB1       ALA  26 -13.160 -13.027 -15.605
  185   2HB   ALA  26          HB2       ALA  26 -13.161 -14.526 -14.650
  186   3HB   ALA  26          HB3       ALA  26 -14.005 -13.098 -14.040
  187    HA   PRO  27           HA       PRO  27  -8.030 -14.018 -15.063
  188   1HB   PRO  27          HB2       PRO  27  -7.579 -16.723 -15.038
  189   2HB   PRO  27          HB3       PRO  27  -7.616 -15.727 -13.553
  190   1HG   PRO  27          HG2       PRO  27  -9.862 -17.395 -14.729
  191   2HG   PRO  27          HG3       PRO  27  -9.283 -17.354 -13.033
  192   1HD   PRO  27          HD2       PRO  27 -11.444 -15.903 -13.871
  193   2HD   PRO  27          HD3       PRO  27 -10.312 -15.269 -12.634
  194    H    TRP  28           H        TRP  28 -10.813 -15.602 -16.568
  195    HA   TRP  28           HA       TRP  28  -9.342 -16.261 -19.006
  196   1HB   TRP  28          HB2       TRP  28 -11.713 -16.815 -19.787
  197   2HB   TRP  28          HB3       TRP  28 -10.993 -17.773 -18.516
  198    HD1  TRP  28           HD1      TRP  28 -12.969 -14.460 -18.050
  199    HE1  TRP  28           HE1      TRP  28 -14.985 -14.901 -16.562
  200    HE3  TRP  28           HE3      TRP  28 -12.384 -19.507 -17.394
  201    HZ2  TRP  28           HZ2      TRP  28 -16.161 -17.152 -15.157
  202    HZ3  TRP  28           HZ3      TRP  28 -13.960 -20.769 -15.956
  203    HH2  TRP  28           HH2      TRP  28 -15.850 -19.605 -14.835
  204    H    CYS  29           H        CYS  29 -10.480 -13.318 -17.736
  205    HA   CYS  29           HA       CYS  29 -11.409 -12.254 -20.331
  206   1HB   CYS  29          HB2       CYS  29 -12.665 -11.687 -18.299
  207   2HB   CYS  29          HB3       CYS  29 -11.201 -11.002 -17.566
  208    HG   CYS  29           HG       CYS  29 -13.102  -9.216 -18.576
  209    H    GLY  30           H        GLY  30  -9.851 -11.560 -21.714
  210   1HA   GLY  30          HA2       GLY  30  -7.112 -11.224 -21.207
  211   2HA   GLY  30          HA3       GLY  30  -8.004 -10.508 -22.555
  212    HA   PRO  31           HA       PRO  31  -7.921  -6.402 -20.926
  213   1HB   PRO  31          HB2       PRO  31 -10.800  -6.618 -20.042
  214   2HB   PRO  31          HB3       PRO  31  -9.965  -5.219 -20.794
  215   1HG   PRO  31          HG2       PRO  31 -11.430  -6.893 -22.326
  216   2HG   PRO  31          HG3       PRO  31  -9.805  -6.383 -22.892
  217   1HD   PRO  31          HD2       PRO  31 -10.627  -8.993 -21.630
  218   2HD   PRO  31          HD3       PRO  31  -9.474  -8.691 -22.959
  219    H    CYS  32           H        CYS  32  -9.432  -8.619 -18.488
  220    HA   CYS  32           HA       CYS  32  -8.779  -7.035 -16.187
  221   1HB   CYS  32          HB2       CYS  32  -8.991 -10.076 -16.497
  222   2HB   CYS  32          HB3       CYS  32  -8.793  -9.224 -14.969
  223    HG   CYS  32           HG       CYS  32 -11.219  -8.796 -17.185
  224    H    LYS  33           H        LYS  33  -6.844  -9.336 -18.129
  225    HA   LYS  33           HA       LYS  33  -4.563  -9.172 -16.275
  226   1HB   LYS  33          HB2       LYS  33  -4.936 -10.477 -19.002
  227   2HB   LYS  33          HB3       LYS  33  -3.445 -10.555 -18.054
  228   1HG   LYS  33          HG2       LYS  33  -4.559 -11.660 -16.205
  229   2HG   LYS  33          HG3       LYS  33  -6.145 -11.482 -16.953
  230   1HD   LYS  33          HD2       LYS  33  -3.888 -13.185 -18.079
  231   2HD   LYS  33          HD3       LYS  33  -5.258 -13.759 -17.112
  232   1HE   LYS  33          HE2       LYS  33  -6.777 -12.657 -18.888
  233   2HE   LYS  33          HE3       LYS  33  -5.325 -12.542 -19.901
  234   1HZ   LYS  33          HZ1       LYS  33  -6.547 -15.002 -18.802
  235   2HZ   LYS  33          HZ2       LYS  33  -6.511 -14.569 -20.383
  236   3HZ   LYS  33          HZ3       LYS  33  -5.124 -14.995 -19.635
  237    H    MET  34           H        MET  34  -5.624  -7.638 -19.330
  238    HA   MET  34           HA       MET  34  -3.170  -6.293 -19.873
  239   1HB   MET  34          HB2       MET  34  -6.020  -5.428 -20.498
  240   2HB   MET  34          HB3       MET  34  -4.570  -4.701 -21.177
  241   1HG   MET  34          HG2       MET  34  -3.954  -6.743 -22.308
  242   2HG   MET  34          HG3       MET  34  -5.243  -7.643 -21.515
  243   1HE   MET  34          HE1       MET  34  -6.157  -8.666 -23.699
  244   2HE   MET  34          HE2       MET  34  -6.502  -7.734 -25.173
  245   3HE   MET  34          HE3       MET  34  -4.830  -7.878 -24.585
  246    H    ILE  35           H        ILE  35  -5.976  -5.343 -17.778
  247    HA   ILE  35           HA       ILE  35  -4.703  -2.810 -17.165
  248    HB   ILE  35           HB       ILE  35  -7.173  -3.223 -17.344
  249   1HG1  ILE  35          HG12      ILE  35  -6.154  -1.805 -14.855
  250   2HG1  ILE  35          HG13      ILE  35  -6.213  -1.154 -16.494
  251   1HG2  ILE  35          HG21      ILE  35  -7.283  -5.276 -15.953
  252   2HG2  ILE  35          HG22      ILE  35  -6.964  -4.301 -14.506
  253   3HG2  ILE  35          HG23      ILE  35  -8.440  -4.053 -15.462
  254   1HD1  ILE  35          HD11      ILE  35  -8.082  -0.265 -15.308
  255   2HD1  ILE  35          HD12      ILE  35  -8.740  -1.480 -16.425
  256   3HD1  ILE  35          HD13      ILE  35  -8.563  -1.861 -14.699
  257    H    ALA  36           H        ALA  36  -4.299  -6.014 -15.871
  258    HA   ALA  36           HA       ALA  36  -3.787  -5.500 -13.196
  259   1HB   ALA  36          HB1       ALA  36  -2.329  -7.503 -14.960
  260   2HB   ALA  36          HB2       ALA  36  -2.416  -7.519 -13.192
  261   3HB   ALA  36          HB3       ALA  36  -3.891  -7.755 -14.151
  262    HA   PRO  37           HA       PRO  37   0.763  -4.272 -13.934
  263   1HB   PRO  37          HB2       PRO  37   1.504  -3.174 -16.372
  264   2HB   PRO  37          HB3       PRO  37   1.741  -4.884 -15.899
  265   1HG   PRO  37          HG2       PRO  37  -0.526  -3.693 -17.521
  266   2HG   PRO  37          HG3       PRO  37   0.435  -5.168 -17.870
  267   1HD   PRO  37          HD2       PRO  37  -1.982  -5.354 -16.715
  268   2HD   PRO  37          HD3       PRO  37  -0.648  -6.387 -16.146
  269    H    VAL  38           H        VAL  38  -1.883  -2.497 -15.608
  270    HA   VAL  38           HA       VAL  38  -0.878   0.108 -14.998
  271    HB   VAL  38           HB       VAL  38  -3.795  -0.703 -15.369
  272   1HG1  VAL  38          HG11      VAL  38  -4.065   1.619 -16.134
  273   2HG1  VAL  38          HG12      VAL  38  -3.476   1.572 -14.472
  274   3HG1  VAL  38          HG13      VAL  38  -2.349   1.935 -15.797
  275   1HG2  VAL  38          HG21      VAL  38  -1.729   0.069 -17.477
  276   2HG2  VAL  38          HG22      VAL  38  -2.558  -1.498 -17.338
  277   3HG2  VAL  38          HG23      VAL  38  -3.481  -0.051 -17.748
  278    H    LEU  39           H        LEU  39  -3.070  -2.194 -13.278
  279    HA   LEU  39           HA       LEU  39  -3.525  -0.496 -11.039
  280   1HB   LEU  39          HB2       LEU  39  -3.626  -3.521 -11.342
  281   2HB   LEU  39          HB3       LEU  39  -4.117  -2.684  -9.876
  282    HG   LEU  39           HG       LEU  39  -5.370  -2.075 -12.587
  283   1HD1  LEU  39          HD11      LEU  39  -7.246  -3.514 -11.891
  284   2HD1  LEU  39          HD12      LEU  39  -5.746  -4.427 -12.083
  285   3HD1  LEU  39          HD13      LEU  39  -6.334  -4.017 -10.449
  286   1HD2  LEU  39          HD21      LEU  39  -5.685  -0.334 -10.841
  287   2HD2  LEU  39          HD22      LEU  39  -7.201  -1.141 -11.245
  288   3HD2  LEU  39          HD23      LEU  39  -6.349  -1.560  -9.744
  289    H    GLU  40           H        GLU  40  -0.902  -2.879 -11.720
  290    HA   GLU  40           HA       GLU  40   0.299  -2.603  -9.132
  291   1HB   GLU  40          HB2       GLU  40   1.447  -3.416 -11.828
  292   2HB   GLU  40          HB3       GLU  40   2.397  -3.376 -10.339
  293   1HG   GLU  40          HG2       GLU  40   0.816  -4.948  -9.262
  294   2HG   GLU  40          HG3       GLU  40  -0.122  -5.043 -10.749
  295    H    GLU  41           H        GLU  41   0.696  -0.667 -12.139
  296    HA   GLU  41           HA       GLU  41   2.730   1.022 -11.008
  297   1HB   GLU  41          HB2       GLU  41   0.812   1.393 -13.337
  298   2HB   GLU  41          HB3       GLU  41   1.977   2.621 -12.831
  299   1HG   GLU  41          HG2       GLU  41   3.834   1.008 -13.117
  300   2HG   GLU  41          HG3       GLU  41   2.703  -0.208 -13.696
  301    H    LEU  42           H        LEU  42  -0.843   1.177 -11.078
  302    HA   LEU  42           HA       LEU  42  -1.110   3.720  -9.873
  303   1HB   LEU  42          HB2       LEU  42  -2.846   2.108 -11.035
  304   2HB   LEU  42          HB3       LEU  42  -3.046   1.417  -9.439
  305    HG   LEU  42           HG       LEU  42  -4.799   2.963  -9.906
  306   1HD1  LEU  42          HD11      LEU  42  -3.886   2.991  -7.557
  307   2HD1  LEU  42          HD12      LEU  42  -3.020   4.487  -7.990
  308   3HD1  LEU  42          HD13      LEU  42  -4.785   4.439  -8.043
  309   1HD2  LEU  42          HD21      LEU  42  -2.725   5.154 -10.346
  310   2HD2  LEU  42          HD22      LEU  42  -3.639   4.331 -11.626
  311   3HD2  LEU  42          HD23      LEU  42  -4.488   5.314 -10.424
  312    H    ASP  43           H        ASP  43  -0.823   0.426  -8.466
  313    HA   ASP  43           HA       ASP  43  -1.100   1.163  -5.738
  314   1HB   ASP  43          HB2       ASP  43  -1.270  -1.150  -6.402
  315   2HB   ASP  43          HB3       ASP  43   0.357  -1.139  -7.082
  316    H    GLN  44           H        GLN  44   1.833   0.835  -7.835
  317    HA   GLN  44           HA       GLN  44   3.689   1.598  -5.830
  318   1HB   GLN  44          HB2       GLN  44   3.665   1.699  -8.854
  319   2HB   GLN  44          HB3       GLN  44   5.062   2.287  -7.939
  320   1HG   GLN  44          HG2       GLN  44   5.459   0.139  -6.942
  321   2HG   GLN  44          HG3       GLN  44   3.919  -0.503  -7.509
  322   1HE2  GLN  44          HE22      GLN  44   3.613  -0.894  -9.782
  323   2HE2  GLN  44          HE21      GLN  44   4.992  -1.191 -10.838
  324    H    GLU  45           H        GLU  45   1.568   3.573  -7.864
  325    HA   GLU  45           HA       GLU  45   2.968   6.044  -7.273
  326   1HB   GLU  45          HB2       GLU  45   1.788   5.442  -9.431
  327   2HB   GLU  45          HB3       GLU  45   0.254   5.563  -8.577
  328   1HG   GLU  45          HG2       GLU  45   0.592   7.599  -9.763
  329   2HG   GLU  45          HG3       GLU  45   0.813   7.974  -8.059
  330    H    MET  46           H        MET  46  -0.102   4.513  -6.177
  331    HA   MET  46           HA       MET  46  -0.492   6.740  -4.207
  332   1HB   MET  46          HB2       MET  46  -2.597   5.317  -5.866
  333   2HB   MET  46          HB3       MET  46  -2.869   6.659  -4.762
  334   1HG   MET  46          HG2       MET  46  -1.315   6.836  -7.361
  335   2HG   MET  46          HG3       MET  46  -2.995   7.283  -7.118
  336   1HE   MET  46          HE1       MET  46  -2.924   9.616  -8.000
  337   2HE   MET  46          HE2       MET  46  -1.652  10.804  -7.640
  338   3HE   MET  46          HE3       MET  46  -1.250   9.314  -8.522
  339    H    GLY  47           H        GLY  47   0.074   3.450  -4.262
  340   1HA   GLY  47          HA2       GLY  47  -2.111   2.311  -2.876
  341   2HA   GLY  47          HA3       GLY  47  -0.537   1.590  -3.148
  342    H    ASP  48           H        ASP  48  -1.605   4.375  -1.306
  343    HA   ASP  48           HA       ASP  48  -1.227   3.220   1.301
  344   1HB   ASP  48          HB2       ASP  48   1.075   4.043   0.936
  345   2HB   ASP  48          HB3       ASP  48   0.441   5.612   0.411
  346    H    LYS  49           H        LYS  49  -1.736   6.087  -0.775
  347    HA   LYS  49           HA       LYS  49  -3.566   7.504   0.890
  348   1HB   LYS  49          HB2       LYS  49  -3.466   7.405  -2.146
  349   2HB   LYS  49          HB3       LYS  49  -4.169   8.676  -1.142
  350   1HG   LYS  49          HG2       LYS  49  -1.871   9.248  -0.307
  351   2HG   LYS  49          HG3       LYS  49  -1.196   7.967  -1.336
  352   1HD   LYS  49          HD2       LYS  49  -2.249   9.138  -3.330
  353   2HD   LYS  49          HD3       LYS  49  -2.598  10.502  -2.244
  354   1HE   LYS  49          HE2       LYS  49  -0.189  10.710  -1.718
  355   2HE   LYS  49          HE3       LYS  49   0.170   9.323  -2.755
  356   1HZ   LYS  49          HZ1       LYS  49  -0.636  10.597  -4.648
  357   2HZ   LYS  49          HZ2       LYS  49  -0.966  11.893  -3.692
  358   3HZ   LYS  49          HZ3       LYS  49   0.572  11.402  -3.899
  359    H    LEU  50           H        LEU  50  -3.894   4.932  -1.550
  360    HA   LEU  50           HA       LEU  50  -6.511   4.284  -0.449
  361   1HB   LEU  50          HB2       LEU  50  -7.618   4.208  -2.408
  362   2HB   LEU  50          HB3       LEU  50  -6.537   5.542  -2.764
  363    HG   LEU  50           HG       LEU  50  -6.150   2.650  -3.703
  364   1HD1  LEU  50          HD11      LEU  50  -7.267   5.072  -5.143
  365   2HD1  LEU  50          HD12      LEU  50  -6.897   3.502  -5.891
  366   3HD1  LEU  50          HD13      LEU  50  -8.164   3.624  -4.657
  367   1HD2  LEU  50          HD21      LEU  50  -4.727   5.223  -4.460
  368   2HD2  LEU  50          HD22      LEU  50  -4.026   3.803  -3.647
  369   3HD2  LEU  50          HD23      LEU  50  -4.560   3.671  -5.317
  370    H    LYS  51           H        LYS  51  -7.154   2.069  -1.025
  371    HA   LYS  51           HA       LYS  51  -4.855   0.148  -1.102
  372   1HB   LYS  51          HB2       LYS  51  -6.361   0.197   0.906
  373   2HB   LYS  51          HB3       LYS  51  -7.741  -0.108  -0.146
  374   1HG   LYS  51          HG2       LYS  51  -6.644  -2.329  -0.775
  375   2HG   LYS  51          HG3       LYS  51  -5.452  -2.006   0.492
  376   1HD   LYS  51          HD2       LYS  51  -8.483  -2.241   0.839
  377   2HD   LYS  51          HD3       LYS  51  -7.288  -3.468   1.274
  378   1HE   LYS  51          HE2       LYS  51  -6.296  -1.918   2.941
  379   2HE   LYS  51          HE3       LYS  51  -7.501  -0.680   2.532
  380   1HZ   LYS  51          HZ1       LYS  51  -8.198  -3.376   3.549
  381   2HZ   LYS  51          HZ2       LYS  51  -8.030  -2.056   4.505
  382   3HZ   LYS  51          HZ3       LYS  51  -9.217  -2.096   3.347
  383    H    ILE  52           H        ILE  52  -5.205  -1.735  -2.601
  384    HA   ILE  52           HA       ILE  52  -7.384  -1.336  -4.584
  385    HB   ILE  52           HB       ILE  52  -4.646  -2.507  -5.177
  386   1HG1  ILE  52          HG12      ILE  52  -5.838   0.206  -5.877
  387   2HG1  ILE  52          HG13      ILE  52  -4.371  -0.131  -4.963
  388   1HG2  ILE  52          HG21      ILE  52  -6.508  -3.571  -6.450
  389   2HG2  ILE  52          HG22      ILE  52  -6.985  -1.972  -7.059
  390   3HG2  ILE  52          HG23      ILE  52  -5.416  -2.694  -7.493
  391   1HD1  ILE  52          HD11      ILE  52  -4.788  -0.453  -7.949
  392   2HD1  ILE  52          HD12      ILE  52  -3.659   0.607  -7.091
  393   3HD1  ILE  52          HD13      ILE  52  -3.401  -1.149  -7.089
  394    H    VAL  53           H        VAL  53  -8.686  -3.188  -4.768
  395    HA   VAL  53           HA       VAL  53  -7.797  -5.608  -3.256
  396    HB   VAL  53           HB       VAL  53 -10.533  -4.273  -3.104
  397   1HG1  VAL  53          HG11      VAL  53 -11.108  -6.019  -1.461
  398   2HG1  VAL  53          HG12      VAL  53 -10.805  -6.716  -3.052
  399   3HG1  VAL  53          HG13      VAL  53  -9.564  -6.843  -1.784
  400   1HG2  VAL  53          HG21      VAL  53  -8.784  -3.200  -1.658
  401   2HG2  VAL  53          HG22      VAL  53 -10.083  -3.968  -0.732
  402   3HG2  VAL  53          HG23      VAL  53  -8.504  -4.765  -0.880
  403    H    LYS  54           H        LYS  54  -7.650  -7.195  -4.715
  404    HA   LYS  54           HA       LYS  54  -9.279  -7.303  -7.161
  405   1HB   LYS  54          HB2       LYS  54  -7.439  -9.293  -5.737
  406   2HB   LYS  54          HB3       LYS  54  -8.206  -9.615  -7.282
  407   1HG   LYS  54          HG2       LYS  54  -6.164  -7.417  -6.762
  408   2HG   LYS  54          HG3       LYS  54  -5.893  -8.961  -7.585
  409   1HD   LYS  54          HD2       LYS  54  -7.795  -8.248  -9.190
  410   2HD   LYS  54          HD3       LYS  54  -7.602  -6.617  -8.503
  411   1HE   LYS  54          HE2       LYS  54  -5.431  -6.373  -9.339
  412   2HE   LYS  54          HE3       LYS  54  -5.181  -8.127  -9.485
  413   1HZ   LYS  54          HZ1       LYS  54  -6.608  -8.197 -11.362
  414   2HZ   LYS  54          HZ2       LYS  54  -7.126  -6.664 -11.174
  415   3HZ   LYS  54          HZ3       LYS  54  -5.567  -6.972 -11.650
  416    H    ILE  55           H        ILE  55 -11.144  -8.504  -7.464
  417    HA   ILE  55           HA       ILE  55 -11.748 -10.634  -5.534
  418    HB   ILE  55           HB       ILE  55 -12.808  -8.783  -4.506
  419   1HG1  ILE  55          HG12      ILE  55 -15.004 -10.354  -5.889
  420   2HG1  ILE  55          HG13      ILE  55 -13.930 -11.039  -4.660
  421   1HG2  ILE  55          HG21      ILE  55 -14.342  -8.200  -7.058
  422   2HG2  ILE  55          HG22      ILE  55 -14.524  -7.366  -5.510
  423   3HG2  ILE  55          HG23      ILE  55 -13.022  -7.207  -6.410
  424   1HD1  ILE  55          HD11      ILE  55 -15.997 -10.344  -3.600
  425   2HD1  ILE  55          HD12      ILE  55 -14.668  -9.330  -3.030
  426   3HD1  ILE  55          HD13      ILE  55 -15.824  -8.697  -4.230
  427    H    ASP  56           H        ASP  56 -12.122 -12.418  -6.691
  428    HA   ASP  56           HA       ASP  56 -12.458 -12.242  -9.597
  429   1HB   ASP  56          HB2       ASP  56 -10.876 -13.817  -8.603
  430   2HB   ASP  56          HB3       ASP  56 -12.180 -14.611  -7.718
  431    H    VAL  57           H        VAL  57 -14.495 -12.121 -10.492
  432    HA   VAL  57           HA       VAL  57 -16.825 -12.344  -8.860
  433    HB   VAL  57           HB       VAL  57 -18.117 -11.994 -10.879
  434   1HG1  VAL  57          HG11      VAL  57 -17.269  -9.817 -11.484
  435   2HG1  VAL  57          HG12      VAL  57 -16.964 -10.092  -9.765
  436   3HG1  VAL  57          HG13      VAL  57 -15.631 -10.234 -10.928
  437   1HG2  VAL  57          HG21      VAL  57 -15.528 -12.288 -12.459
  438   2HG2  VAL  57          HG22      VAL  57 -16.914 -13.392 -12.512
  439   3HG2  VAL  57          HG23      VAL  57 -17.091 -11.739 -13.098
  440    H    ASP  58           H        ASP  58 -15.064 -14.837 -10.612
  441    HA   ASP  58           HA       ASP  58 -17.345 -16.596 -10.964
  442   1HB   ASP  58          HB2       ASP  58 -15.276 -16.720 -12.342
  443   2HB   ASP  58          HB3       ASP  58 -14.371 -17.230 -10.911
  444    H    GLU  59           H        GLU  59 -15.587 -15.656  -8.200
  445    HA   GLU  59           HA       GLU  59 -16.691 -17.970  -6.654
  446   1HB   GLU  59          HB2       GLU  59 -14.119 -16.411  -6.163
  447   2HB   GLU  59          HB3       GLU  59 -14.813 -17.615  -5.070
  448   1HG   GLU  59          HG2       GLU  59 -14.656 -19.312  -6.932
  449   2HG   GLU  59          HG3       GLU  59 -13.760 -18.121  -7.880
  450    H    ASN  60           H        ASN  60 -17.270 -14.819  -7.390
  451    HA   ASN  60           HA       ASN  60 -18.323 -14.102  -4.710
  452   1HB   ASN  60          HB2       ASN  60 -16.352 -12.380  -6.276
  453   2HB   ASN  60          HB3       ASN  60 -17.242 -11.882  -4.846
  454   1HD2  ASN  60          HD22      ASN  60 -14.497 -13.693  -5.979
  455   2HD2  ASN  60          HD21      ASN  60 -13.898 -14.164  -4.395
  456    H    GLN  61           H        GLN  61 -19.653 -14.947  -7.029
  457    HA   GLN  61           HA       GLN  61 -20.610 -12.819  -8.652
  458   1HB   GLN  61          HB2       GLN  61 -22.504 -14.360  -9.148
  459   2HB   GLN  61          HB3       GLN  61 -20.906 -15.008  -9.475
  460   1HG   GLN  61          HG2       GLN  61 -22.345 -15.674  -6.889
  461   2HG   GLN  61          HG3       GLN  61 -22.701 -16.520  -8.384
  462   1HE2  GLN  61          HE22      GLN  61 -20.531 -16.452  -5.673
  463   2HE2  GLN  61          HE21      GLN  61 -19.422 -17.651  -6.305
  464    H    GLU  62           H        GLU  62 -21.443 -13.921  -5.416
  465    HA   GLU  62           HA       GLU  62 -23.862 -12.532  -4.985
  466   1HB   GLU  62          HB2       GLU  62 -21.535 -13.194  -3.103
  467   2HB   GLU  62          HB3       GLU  62 -23.118 -12.613  -2.593
  468   1HG   GLU  62          HG2       GLU  62 -23.221 -14.898  -2.217
  469   2HG   GLU  62          HG3       GLU  62 -24.141 -14.658  -3.699
  470    H    THR  63           H        THR  63 -20.405 -11.498  -4.465
  471    HA   THR  63           HA       THR  63 -21.174  -8.957  -3.474
  472    HB   THR  63           HB       THR  63 -18.506  -9.389  -4.723
  473    HG1  THR  63           HG1      THR  63 -19.476 -10.669  -2.395
  474   1HG2  THR  63          HG21      THR  63 -19.259  -8.303  -1.984
  475   2HG2  THR  63          HG22      THR  63 -17.654  -8.286  -2.726
  476   3HG2  THR  63          HG23      THR  63 -18.952  -7.313  -3.432
  477    H    ALA  64           H        ALA  64 -20.093 -10.100  -6.735
  478    HA   ALA  64           HA       ALA  64 -20.114  -7.509  -7.912
  479   1HB   ALA  64          HB1       ALA  64 -19.139  -9.589  -8.943
  480   2HB   ALA  64          HB2       ALA  64 -20.785 -10.197  -9.227
  481   3HB   ALA  64          HB3       ALA  64 -20.219  -8.726 -10.050
  482    H    GLY  65           H        GLY  65 -22.722  -9.993  -7.667
  483   1HA   GLY  65          HA2       GLY  65 -24.818  -8.560  -8.866
  484   2HA   GLY  65          HA3       GLY  65 -24.975  -9.818  -7.626
  485    H    LYS  66           H        LYS  66 -23.345  -8.123  -5.680
  486    HA   LYS  66           HA       LYS  66 -25.439  -6.792  -4.334
  487   1HB   LYS  66          HB2       LYS  66 -22.982  -7.652  -3.636
  488   2HB   LYS  66          HB3       LYS  66 -22.572  -5.965  -3.908
  489   1HG   LYS  66          HG2       LYS  66 -24.452  -5.361  -2.291
  490   2HG   LYS  66          HG3       LYS  66 -24.637  -7.086  -1.965
  491   1HD   LYS  66          HD2       LYS  66 -22.220  -5.323  -1.437
  492   2HD   LYS  66          HD3       LYS  66 -23.258  -6.066  -0.227
  493   1HE   LYS  66          HE2       LYS  66 -21.339  -7.492  -2.114
  494   2HE   LYS  66          HE3       LYS  66 -21.049  -7.160  -0.412
  495   1HZ   LYS  66          HZ1       LYS  66 -22.816  -8.667   0.172
  496   2HZ   LYS  66          HZ2       LYS  66 -23.203  -8.951  -1.394
  497   3HZ   LYS  66          HZ3       LYS  66 -21.758  -9.450  -0.805
  498    H    TYR  67           H        TYR  67 -23.408  -5.690  -6.975
  499    HA   TYR  67           HA       TYR  67 -24.646  -2.983  -6.793
  500   1HB   TYR  67          HB2       TYR  67 -22.008  -3.451  -8.155
  501   2HB   TYR  67          HB3       TYR  67 -22.646  -1.971  -7.466
  502    HD1  TYR  67           HD1      TYR  67 -20.676  -4.965  -6.964
  503    HD2  TYR  67           HD2      TYR  67 -22.689  -1.779  -4.859
  504    HE1  TYR  67           HE1      TYR  67 -19.516  -5.613  -4.929
  505    HE2  TYR  67           HE2      TYR  67 -21.475  -2.389  -2.784
  506    HH   TYR  67           HH       TYR  67 -19.187  -5.150  -2.631
  507    H    GLY  68           H        GLY  68 -25.275  -5.709  -8.244
  508   1HA   GLY  68          HA2       GLY  68 -26.201  -6.355 -10.198
  509   2HA   GLY  68          HA3       GLY  68 -26.302  -4.651 -10.675
  510    H    VAL  69           H        VAL  69 -23.154  -6.098  -9.922
  511    HA   VAL  69           HA       VAL  69 -22.313  -5.694 -12.732
  512    HB   VAL  69           HB       VAL  69 -20.728  -6.190 -10.166
  513   1HG1  VAL  69          HG11      VAL  69 -18.736  -5.521 -11.576
  514   2HG1  VAL  69          HG12      VAL  69 -19.385  -7.103 -11.956
  515   3HG1  VAL  69          HG13      VAL  69 -19.751  -5.738 -13.031
  516   1HG2  VAL  69          HG21      VAL  69 -20.010  -3.855 -10.433
  517   2HG2  VAL  69          HG22      VAL  69 -20.971  -3.696 -11.920
  518   3HG2  VAL  69          HG23      VAL  69 -21.772  -3.910 -10.357
  519    H    MET  70           H        MET  70 -21.144  -7.251 -13.758
  520    HA   MET  70           HA       MET  70 -20.553  -9.815 -12.843
  521   1HB   MET  70          HB2       MET  70 -23.205  -9.713 -13.959
  522   2HB   MET  70          HB3       MET  70 -22.184 -10.514 -15.154
  523   1HG   MET  70          HG2       MET  70 -22.376 -11.239 -12.205
  524   2HG   MET  70          HG3       MET  70 -23.187 -12.094 -13.516
  525   1HE   MET  70          HE1       MET  70 -21.994 -14.212 -12.069
  526   2HE   MET  70          HE2       MET  70 -20.226 -14.397 -11.966
  527   3HE   MET  70          HE3       MET  70 -21.030 -13.070 -11.101
  528    H    SER  71           H        SER  71 -20.799  -7.381 -15.420
  529    HA   SER  71           HA       SER  71 -18.954  -8.522 -17.248
  530   1HB   SER  71          HB2       SER  71 -19.376  -5.582 -16.563
  531   2HB   SER  71          HB3       SER  71 -18.794  -6.265 -18.092
  532    HG   SER  71           HG       SER  71 -21.015  -5.690 -18.189
  533    H    ILE  72           H        ILE  72 -16.663  -8.102 -17.407
  534    HA   ILE  72           HA       ILE  72 -15.334  -6.785 -15.178
  535    HB   ILE  72           HB       ILE  72 -13.770  -8.552 -14.804
  536   1HG1  ILE  72          HG12      ILE  72 -13.851  -9.787 -16.925
  537   2HG1  ILE  72          HG13      ILE  72 -13.834 -10.763 -15.482
  538   1HG2  ILE  72          HG21      ILE  72 -15.686  -8.352 -13.308
  539   2HG2  ILE  72          HG22      ILE  72 -16.571  -9.558 -14.250
  540   3HG2  ILE  72          HG23      ILE  72 -15.082 -10.015 -13.404
  541   1HD1  ILE  72          HD11      ILE  72 -16.278 -10.283 -17.225
  542   2HD1  ILE  72          HD12      ILE  72 -15.284 -11.743 -17.154
  543   3HD1  ILE  72          HD13      ILE  72 -16.236 -11.271 -15.742
  544    HA   PRO  73           HA       PRO  73 -12.895  -6.577 -14.715
  545   1HB   PRO  73          HB2       PRO  73 -11.306  -4.373 -15.092
  546   2HB   PRO  73          HB3       PRO  73 -10.751  -6.051 -15.316
  547   1HG   PRO  73          HG2       PRO  73 -11.614  -4.062 -17.408
  548   2HG   PRO  73          HG3       PRO  73 -10.262  -5.239 -17.474
  549   1HD   PRO  73          HD2       PRO  73 -12.712  -5.659 -18.678
  550   2HD   PRO  73          HD3       PRO  73 -11.687  -6.984 -18.059
  551    H    THR  74           H        THR  74 -13.922  -5.286 -13.235
  552    HA   THR  74           HA       THR  74 -15.167  -2.755 -14.156
  553    HB   THR  74           HB       THR  74 -16.542  -4.949 -12.562
  554    HG1  THR  74           HG1      THR  74 -17.335  -5.390 -14.410
  555   1HG2  THR  74          HG21      THR  74 -18.493  -3.298 -12.626
  556   2HG2  THR  74          HG22      THR  74 -17.168  -2.876 -11.530
  557   3HG2  THR  74          HG23      THR  74 -17.319  -2.046 -13.085
  558    H    LEU  75           H        LEU  75 -14.445  -1.186 -12.965
  559    HA   LEU  75           HA       LEU  75 -12.942  -1.759 -10.463
  560   1HB   LEU  75          HB2       LEU  75 -13.033   0.690 -12.276
  561   2HB   LEU  75          HB3       LEU  75 -12.116   0.574 -10.785
  562    HG   LEU  75           HG       LEU  75 -11.646  -1.082 -13.307
  563   1HD1  LEU  75          HD11      LEU  75 -10.027   1.180 -12.068
  564   2HD1  LEU  75          HD12      LEU  75  -9.581   0.245 -13.506
  565   3HD1  LEU  75          HD13      LEU  75 -11.011   1.285 -13.544
  566   1HD2  LEU  75          HD21      LEU  75 -10.995  -2.397 -11.360
  567   2HD2  LEU  75          HD22      LEU  75  -9.554  -1.830 -12.195
  568   3HD2  LEU  75          HD23      LEU  75 -10.074  -1.035 -10.690
  569    H    LEU  76           H        LEU  76 -13.789  -0.941  -8.567
  570    HA   LEU  76           HA       LEU  76 -16.019   1.048  -8.718
  571   1HB   LEU  76          HB2       LEU  76 -15.893  -1.490  -7.077
  572   2HB   LEU  76          HB3       LEU  76 -16.509  -0.023  -6.336
  573    HG   LEU  76           HG       LEU  76 -18.239   0.193  -8.084
  574   1HD1  LEU  76          HD11      LEU  76 -17.249  -1.089  -9.924
  575   2HD1  LEU  76          HD12      LEU  76 -17.294  -2.575  -8.955
  576   3HD1  LEU  76          HD13      LEU  76 -18.801  -1.785  -9.473
  577   1HD2  LEU  76          HD21      LEU  76 -18.265  -2.461  -6.587
  578   2HD2  LEU  76          HD22      LEU  76 -18.685  -0.880  -5.900
  579   3HD2  LEU  76          HD23      LEU  76 -19.674  -1.567  -7.191
  580    H    VAL  77           H        VAL  77 -15.445   2.852  -7.517
  581    HA   VAL  77           HA       VAL  77 -13.044   2.598  -5.746
  582    HB   VAL  77           HB       VAL  77 -14.360   5.134  -6.767
  583   1HG1  VAL  77          HG11      VAL  77 -12.394   6.257  -5.778
  584   2HG1  VAL  77          HG12      VAL  77 -13.287   5.376  -4.536
  585   3HG1  VAL  77          HG13      VAL  77 -11.784   4.695  -5.186
  586   1HG2  VAL  77          HG21      VAL  77 -11.748   3.799  -7.581
  587   2HG2  VAL  77          HG22      VAL  77 -13.162   4.063  -8.627
  588   3HG2  VAL  77          HG23      VAL  77 -12.224   5.442  -8.033
  589    H    LEU  78           H        LEU  78 -13.603   2.276  -3.737
  590    HA   LEU  78           HA       LEU  78 -16.211   3.273  -2.741
  591   1HB   LEU  78          HB2       LEU  78 -14.540   0.971  -1.627
  592   2HB   LEU  78          HB3       LEU  78 -15.999   1.640  -0.917
  593    HG   LEU  78           HG       LEU  78 -17.014   1.049  -3.354
  594   1HD1  LEU  78          HD11      LEU  78 -16.177  -1.141  -4.125
  595   2HD1  LEU  78          HD12      LEU  78 -14.912   0.087  -4.253
  596   3HD1  LEU  78          HD13      LEU  78 -14.870  -1.080  -2.927
  597   1HD2  LEU  78          HD21      LEU  78 -16.685  -0.982  -1.109
  598   2HD2  LEU  78          HD22      LEU  78 -17.928   0.284  -1.205
  599   3HD2  LEU  78          HD23      LEU  78 -17.906  -1.026  -2.392
  600    H    LYS  79           H        LYS  79 -16.082   4.189  -0.565
  601    HA   LYS  79           HA       LYS  79 -13.399   4.859   0.443
  602   1HB   LYS  79          HB2       LYS  79 -14.049   6.678  -1.138
  603   2HB   LYS  79          HB3       LYS  79 -15.514   6.971  -0.187
  604   1HG   LYS  79          HG2       LYS  79 -14.168   7.624   1.766
  605   2HG   LYS  79          HG3       LYS  79 -12.681   7.147   0.928
  606   1HD   LYS  79          HD2       LYS  79 -13.317   8.851  -0.887
  607   2HD   LYS  79          HD3       LYS  79 -14.567   9.439   0.224
  608   1HE   LYS  79          HE2       LYS  79 -12.836  10.024   1.889
  609   2HE   LYS  79          HE3       LYS  79 -11.594   9.258   0.887
  610   1HZ   LYS  79          HZ1       LYS  79 -12.236  10.898  -0.871
  611   2HZ   LYS  79          HZ2       LYS  79 -13.048  11.748   0.290
  612   3HZ   LYS  79          HZ3       LYS  79 -11.412  11.498   0.376
  613    H    ASP  80           H        ASP  80 -13.449   4.425   2.545
  614    HA   ASP  80           HA       ASP  80 -14.253   3.679   4.528
  615   1HB   ASP  80          HB2       ASP  80 -14.040   6.123   4.746
  616   2HB   ASP  80          HB3       ASP  80 -15.746   6.313   4.340
  617    H    GLY  81           H        GLY  81 -15.645   2.311   2.567
  618   1HA   GLY  81          HA2       GLY  81 -17.181   0.656   2.802
  619   2HA   GLY  81          HA3       GLY  81 -17.952   1.507   4.140
  620    H    GLU  82           H        GLU  82 -17.700   3.561   1.352
  621    HA   GLU  82           HA       GLU  82 -20.405   2.721   0.360
  622   1HB   GLU  82          HB2       GLU  82 -19.297   5.555   0.642
  623   2HB   GLU  82          HB3       GLU  82 -20.851   5.097  -0.063
  624   1HG   GLU  82          HG2       GLU  82 -21.502   4.119   2.170
  625   2HG   GLU  82          HG3       GLU  82 -20.003   4.781   2.839
  626    H    VAL  83           H        VAL  83 -20.577   2.671  -1.918
  627    HA   VAL  83           HA       VAL  83 -18.160   2.907  -3.560
  628    HB   VAL  83           HB       VAL  83 -21.061   2.752  -4.461
  629   1HG1  VAL  83          HG11      VAL  83 -18.429   1.994  -5.821
  630   2HG1  VAL  83          HG12      VAL  83 -20.050   1.751  -6.506
  631   3HG1  VAL  83          HG13      VAL  83 -19.454   3.387  -6.225
  632   1HG2  VAL  83          HG21      VAL  83 -19.182   0.419  -3.905
  633   2HG2  VAL  83          HG22      VAL  83 -20.677   0.787  -3.022
  634   3HG2  VAL  83          HG23      VAL  83 -20.754   0.312  -4.716
  635    H    VAL  84           H        VAL  84 -17.472   4.671  -4.552
  636    HA   VAL  84           HA       VAL  84 -19.206   7.085  -4.620
  637    HB   VAL  84           HB       VAL  84 -17.313   8.490  -4.172
  638   1HG1  VAL  84          HG11      VAL  84 -16.993   8.060  -1.821
  639   2HG1  VAL  84          HG12      VAL  84 -18.649   7.607  -2.246
  640   3HG1  VAL  84          HG13      VAL  84 -17.424   6.349  -2.002
  641   1HG2  VAL  84          HG21      VAL  84 -15.118   7.650  -3.470
  642   2HG2  VAL  84          HG22      VAL  84 -15.628   5.982  -3.778
  643   3HG2  VAL  84          HG23      VAL  84 -15.477   7.143  -5.125
  644    H    GLU  85           H        GLU  85 -17.150   4.853  -6.418
  645    HA   GLU  85           HA       GLU  85 -18.045   6.276  -8.806
  646   1HB   GLU  85          HB2       GLU  85 -15.356   6.737  -7.836
  647   2HB   GLU  85          HB3       GLU  85 -15.240   5.792  -9.314
  648   1HG   GLU  85          HG2       GLU  85 -16.771   8.402  -8.989
  649   2HG   GLU  85          HG3       GLU  85 -15.126   8.254  -9.596
  650    H    THR  86           H        THR  86 -17.492   5.037 -10.827
  651    HA   THR  86           HA       THR  86 -16.736   2.225 -10.475
  652    HB   THR  86           HB       THR  86 -19.472   3.130 -11.461
  653    HG1  THR  86           HG1      THR  86 -18.618   2.571  -9.092
  654   1HG2  THR  86          HG21      THR  86 -18.260   0.332 -11.455
  655   2HG2  THR  86          HG22      THR  86 -19.995   0.672 -11.637
  656   3HG2  THR  86          HG23      THR  86 -18.853   1.246 -12.856
  657    H    SER  87           H        SER  87 -16.041   1.288 -12.455
  658    HA   SER  87           HA       SER  87 -16.340   2.702 -14.998
  659   1HB   SER  87          HB2       SER  87 -13.689   2.391 -13.544
  660   2HB   SER  87          HB3       SER  87 -13.749   2.327 -15.311
  661    HG   SER  87           HG       SER  87 -14.946   4.407 -13.803
  662    H    VAL  88           H        VAL  88 -15.755   1.258 -16.797
  663    HA   VAL  88           HA       VAL  88 -15.476  -1.608 -16.066
  664    HB   VAL  88           HB       VAL  88 -17.506  -0.524 -18.064
  665   1HG1  VAL  88          HG11      VAL  88 -16.715  -2.774 -18.653
  666   2HG1  VAL  88          HG12      VAL  88 -17.017  -3.343 -16.996
  667   3HG1  VAL  88          HG13      VAL  88 -18.367  -2.864 -18.047
  668   1HG2  VAL  88          HG21      VAL  88 -18.000  -1.654 -15.279
  669   2HG2  VAL  88          HG22      VAL  88 -18.315   0.016 -15.812
  670   3HG2  VAL  88          HG23      VAL  88 -19.257  -1.312 -16.486
  671    H    GLY  89           H        GLY  89 -14.238  -2.753 -17.534
  672   1HA   GLY  89          HA2       GLY  89 -12.979  -3.180 -19.435
  673   2HA   GLY  89          HA3       GLY  89 -13.457  -1.629 -20.130
  674    H    PHE  90           H        PHE  90 -11.019  -1.968 -20.610
  675    HA   PHE  90           HA       PHE  90  -9.036  -1.474 -18.616
  676   1HB   PHE  90          HB2       PHE  90  -8.597  -2.477 -20.829
  677   2HB   PHE  90          HB3       PHE  90  -9.055  -0.976 -21.620
  678    HD1  PHE  90           HD1      PHE  90  -7.547   0.969 -21.639
  679    HD2  PHE  90           HD2      PHE  90  -6.447  -2.692 -19.633
  680    HE1  PHE  90           HE1      PHE  90  -5.201   1.759 -21.480
  681    HE2  PHE  90           HE2      PHE  90  -4.096  -1.900 -19.497
  682    HZ   PHE  90           HZ       PHE  90  -3.473   0.325 -20.409
  683    H    LYS  91           H        LYS  91  -7.911   0.453 -18.107
  684    HA   LYS  91           HA       LYS  91  -8.685   2.971 -19.329
  685   1HB   LYS  91          HB2       LYS  91  -9.241   2.346 -16.432
  686   2HB   LYS  91          HB3       LYS  91  -8.388   3.856 -16.755
  687   1HG   LYS  91          HG2       LYS  91 -10.154   4.503 -18.394
  688   2HG   LYS  91          HG3       LYS  91 -11.086   3.070 -17.917
  689   1HD   LYS  91          HD2       LYS  91 -11.286   3.925 -15.613
  690   2HD   LYS  91          HD3       LYS  91 -10.155   5.232 -15.976
  691   1HE   LYS  91          HE2       LYS  91 -12.258   6.267 -16.033
  692   2HE   LYS  91          HE3       LYS  91 -11.780   6.083 -17.724
  693   1HZ   LYS  91          HZ1       LYS  91 -13.256   4.082 -17.749
  694   2HZ   LYS  91          HZ2       LYS  91 -13.750   4.486 -16.216
  695   3HZ   LYS  91          HZ3       LYS  91 -14.049   5.481 -17.469
  696    HA   PRO  92           HA       PRO  92  -4.222   3.038 -18.908
  697   1HB   PRO  92          HB2       PRO  92  -3.650   5.622 -19.581
  698   2HB   PRO  92          HB3       PRO  92  -4.260   4.433 -20.774
  699   1HG   PRO  92          HG2       PRO  92  -5.846   6.517 -19.247
  700   2HG   PRO  92          HG3       PRO  92  -5.881   6.170 -21.004
  701   1HD   PRO  92          HD2       PRO  92  -7.718   5.124 -19.258
  702   2HD   PRO  92          HD3       PRO  92  -7.145   4.211 -20.687
  703    H    LYS  93           H        LYS  93  -2.529   4.059 -17.563
  704    HA   LYS  93           HA       LYS  93  -3.247   4.324 -14.870
  705   1HB   LYS  93          HB2       LYS  93  -0.932   3.800 -15.665
  706   2HB   LYS  93          HB3       LYS  93  -0.774   5.458 -16.260
  707   1HG   LYS  93          HG2       LYS  93  -1.156   6.256 -13.872
  708   2HG   LYS  93          HG3       LYS  93  -1.079   4.562 -13.361
  709   1HD   LYS  93          HD2       LYS  93   1.232   4.405 -14.162
  710   2HD   LYS  93          HD3       LYS  93   1.116   6.010 -14.918
  711   1HE   LYS  93          HE2       LYS  93   0.660   7.028 -12.702
  712   2HE   LYS  93          HE3       LYS  93   0.862   5.446 -11.932
  713   1HZ   LYS  93          HZ1       LYS  93   3.171   5.447 -12.681
  714   2HZ   LYS  93          HZ2       LYS  93   2.974   6.885 -13.442
  715   3HZ   LYS  93          HZ3       LYS  93   2.874   6.808 -11.813
  716    H    GLU  94           H        GLU  94  -2.625   6.962 -17.260
  717    HA   GLU  94           HA       GLU  94  -2.645   8.976 -15.299
  718   1HB   GLU  94          HB2       GLU  94  -3.270   9.140 -18.281
  719   2HB   GLU  94          HB3       GLU  94  -3.000  10.547 -17.252
  720   1HG   GLU  94          HG2       GLU  94  -0.951   8.341 -17.757
  721   2HG   GLU  94          HG3       GLU  94  -1.003   9.890 -18.584
  722    H    ALA  95           H        ALA  95  -5.338   7.718 -17.260
  723    HA   ALA  95           HA       ALA  95  -7.283   9.583 -16.296
  724   1HB   ALA  95          HB1       ALA  95  -7.593   8.203 -18.339
  725   2HB   ALA  95          HB2       ALA  95  -7.580   6.728 -17.333
  726   3HB   ALA  95          HB3       ALA  95  -8.897   7.907 -17.166
  727    H    LEU  96           H        LEU  96  -6.281   6.298 -15.268
  728    HA   LEU  96           HA       LEU  96  -8.283   6.013 -13.294
  729   1HB   LEU  96          HB2       LEU  96  -7.054   4.137 -14.317
  730   2HB   LEU  96          HB3       LEU  96  -5.556   4.681 -13.560
  731    HG   LEU  96           HG       LEU  96  -6.466   4.215 -11.324
  732   1HD1  LEU  96          HD11      LEU  96  -8.624   2.983 -11.074
  733   2HD1  LEU  96          HD12      LEU  96  -8.848   4.646 -11.601
  734   3HD1  LEU  96          HD13      LEU  96  -8.989   3.324 -12.783
  735   1HD2  LEU  96          HD21      LEU  96  -5.306   2.428 -12.587
  736   2HD2  LEU  96          HD22      LEU  96  -6.540   1.772 -11.503
  737   3HD2  LEU  96          HD23      LEU  96  -6.862   1.880 -13.248
  738    H    GLN  97           H        GLN  97  -4.884   7.256 -13.086
  739    HA   GLN  97           HA       GLN  97  -5.083   7.552 -10.233
  740   1HB   GLN  97          HB2       GLN  97  -3.024   8.677 -10.221
  741   2HB   GLN  97          HB3       GLN  97  -2.922   7.322 -11.327
  742   1HG   GLN  97          HG2       GLN  97  -1.735   9.042 -12.365
  743   2HG   GLN  97          HG3       GLN  97  -3.261   8.923 -13.219
  744   1HE2  GLN  97          HE22      GLN  97  -3.964  10.931 -13.833
  745   2HE2  GLN  97          HE21      GLN  97  -3.713  12.411 -12.927
  746    H    GLU  98           H        GLU  98  -5.996   9.630 -13.003
  747    HA   GLU  98           HA       GLU  98  -6.339  11.935 -11.374
  748   1HB   GLU  98          HB2       GLU  98  -6.140  12.051 -13.852
  749   2HB   GLU  98          HB3       GLU  98  -7.706  11.248 -13.999
  750   1HG   GLU  98          HG2       GLU  98  -8.070  13.582 -14.285
  751   2HG   GLU  98          HG3       GLU  98  -8.747  13.146 -12.726
  752    H    LEU  99           H        LEU  99  -8.511   9.410 -12.502
  753    HA   LEU  99           HA       LEU  99 -10.914  10.218 -11.267
  754   1HB   LEU  99          HB2       LEU  99 -10.538   8.431 -12.961
  755   2HB   LEU  99          HB3       LEU  99  -9.887   7.378 -11.713
  756    HG   LEU  99           HG       LEU  99 -12.714   8.524 -11.619
  757   1HD1  LEU  99          HD11      LEU  99 -11.761   5.870 -12.799
  758   2HD1  LEU  99          HD12      LEU  99 -13.454   6.374 -12.600
  759   3HD1  LEU  99          HD13      LEU  99 -12.404   7.252 -13.712
  760   1HD2  LEU  99          HD21      LEU  99 -12.083   7.592  -9.458
  761   2HD2  LEU  99          HD22      LEU  99 -13.132   6.433 -10.252
  762   3HD2  LEU  99          HD23      LEU  99 -11.380   6.151 -10.231
  763    H    VAL 100           H        VAL 100  -8.165   8.315  -9.917
  764    HA   VAL 100           HA       VAL 100  -9.331   7.995  -7.336
  765    HB   VAL 100           HB       VAL 100  -6.520   7.779  -8.441
  766   1HG1  VAL 100          HG11      VAL 100  -6.111   8.534  -6.174
  767   2HG1  VAL 100          HG12      VAL 100  -7.321   7.403  -5.530
  768   3HG1  VAL 100          HG13      VAL 100  -5.811   6.799  -6.260
  769   1HG2  VAL 100          HG21      VAL 100  -8.193   5.995  -8.951
  770   2HG2  VAL 100          HG22      VAL 100  -6.877   5.394  -7.940
  771   3HG2  VAL 100          HG23      VAL 100  -8.457   5.759  -7.218
  772    H    ASN 101           H        ASN 101  -7.021  10.548  -8.557
  773    HA   ASN 101           HA       ASN 101  -6.713  11.873  -6.092
  774   1HB   ASN 101          HB2       ASN 101  -7.039  13.365  -8.722
  775   2HB   ASN 101          HB3       ASN 101  -6.257  13.949  -7.271
  776   1HD2  ASN 101          HD22      ASN 101  -5.627  13.233 -10.183
  777   2HD2  ASN 101          HD21      ASN 101  -4.058  12.379 -10.095
  778    H    LYS 102           H        LYS 102  -9.091  12.408  -8.640
  779    HA   LYS 102           HA       LYS 102 -10.617  14.459  -7.443
  780   1HB   LYS 102          HB2       LYS 102 -11.427  12.247  -9.373
  781   2HB   LYS 102          HB3       LYS 102 -12.518  13.540  -8.925
  782   1HG   LYS 102          HG2       LYS 102  -9.820  13.925 -10.294
  783   2HG   LYS 102          HG3       LYS 102 -11.385  13.937 -11.091
  784   1HD   LYS 102          HD2       LYS 102 -10.384  15.967  -9.047
  785   2HD   LYS 102          HD3       LYS 102 -10.528  16.192 -10.789
  786   1HE   LYS 102          HE2       LYS 102 -12.996  15.854 -10.630
  787   2HE   LYS 102          HE3       LYS 102 -12.852  15.692  -8.875
  788   1HZ   LYS 102          HZ1       LYS 102 -13.474  17.931  -9.505
  789   2HZ   LYS 102          HZ2       LYS 102 -12.005  17.968  -8.803
  790   3HZ   LYS 102          HZ3       LYS 102 -12.146  18.116 -10.425
  791    H    HIS 103           H        HIS 103 -10.452  11.197  -6.333
  792    HA   HIS 103           HA       HIS 103 -12.804  11.737  -4.559
  793   1HB   HIS 103          HB2       HIS 103 -11.952   9.166  -5.906
  794   2HB   HIS 103          HB3       HIS 103 -12.971   9.176  -4.467
  795    HD1  HIS 103           HD1      HIS 103 -15.472  10.156  -4.724
  796    HD2  HIS 103           HD2      HIS 103 -13.091  10.214  -8.190
  797    HE1  HIS 103           HE1      HIS 103 -17.029  10.735  -6.653
  798    H    LEU 104           H        LEU 104  -9.420  11.469  -4.461
  799    HA   LEU 104           HA       LEU 104  -9.141  10.233  -1.889
  800   1HB   LEU 104          HB2       LEU 104  -7.445  12.357  -3.253
  801   2HB   LEU 104          HB3       LEU 104  -7.054  11.606  -1.713
  802    HG   LEU 104           HG       LEU 104  -7.166  10.206  -4.405
  803   1HD1  LEU 104          HD11      LEU 104  -4.758   9.916  -4.047
  804   2HD1  LEU 104          HD12      LEU 104  -5.202  11.628  -4.048
  805   3HD1  LEU 104          HD13      LEU 104  -4.879  10.806  -2.508
  806   1HD2  LEU 104          HD21      LEU 104  -7.930   8.583  -2.794
  807   2HD2  LEU 104          HD22      LEU 104  -6.248   8.220  -3.167
  808   3HD2  LEU 104          HD23      LEU 104  -6.654   9.038  -1.639
  Start of MODEL   19
    1   1H    MET   1          H1        MET   1   2.889  -1.182   1.511
    2   2H    MET   1          H2        MET   1   1.899   0.062   1.912
    3   3H    MET   1          H3        MET   1   1.283  -1.435   1.670
    4    HA   MET   1           HA       MET   1   0.799  -0.041  -0.212
    5   1HB   MET   1          HB2       MET   1   2.717   1.474   0.067
    6   2HB   MET   1          HB3       MET   1   3.830   0.201  -0.436
    7   1HG   MET   1          HG2       MET   1   2.790   0.171  -2.680
    8   2HG   MET   1          HG3       MET   1   1.587   1.338  -2.144
    9   1HE   MET   1          HE1       MET   1   6.028   2.220  -3.093
   10   2HE   MET   1          HE2       MET   1   5.591   1.121  -1.769
   11   3HE   MET   1          HE3       MET   1   5.166   0.707  -3.447
   12    H    ALA   2           H        ALA   2  -0.173  -2.021  -0.742
   13    HA   ALA   2           HA       ALA   2   1.074  -3.546  -2.822
   14   1HB   ALA   2          HB1       ALA   2   2.041  -4.802  -0.876
   15   2HB   ALA   2          HB2       ALA   2   0.409  -4.971  -0.185
   16   3HB   ALA   2          HB3       ALA   2   0.817  -5.764  -1.719
   17    H    ILE   3           H        ILE   3  -0.475  -4.876  -3.838
   18    HA   ILE   3           HA       ILE   3  -3.238  -3.999  -3.600
   19    HB   ILE   3           HB       ILE   3  -1.791  -6.074  -5.309
   20   1HG1  ILE   3          HG12      ILE   3  -2.713  -3.233  -5.936
   21   2HG1  ILE   3          HG13      ILE   3  -1.055  -3.736  -5.669
   22   1HG2  ILE   3          HG21      ILE   3  -4.166  -6.706  -5.214
   23   2HG2  ILE   3          HG22      ILE   3  -4.659  -5.047  -5.607
   24   3HG2  ILE   3          HG23      ILE   3  -3.813  -6.056  -6.796
   25   1HD1  ILE   3          HD11      ILE   3  -1.193  -5.225  -7.642
   26   2HD1  ILE   3          HD12      ILE   3  -2.785  -4.479  -8.017
   27   3HD1  ILE   3          HD13      ILE   3  -1.320  -3.486  -7.971
   28    H    VAL   4           H        VAL   4  -4.999  -5.524  -3.115
   29    HA   VAL   4           HA       VAL   4  -4.270  -7.732  -1.257
   30    HB   VAL   4           HB       VAL   4  -6.414  -5.594  -0.862
   31   1HG1  VAL   4          HG11      VAL   4  -7.006  -7.599   0.376
   32   2HG1  VAL   4          HG12      VAL   4  -5.350  -7.738   1.027
   33   3HG1  VAL   4          HG13      VAL   4  -6.417  -6.406   1.510
   34   1HG2  VAL   4          HG21      VAL   4  -4.279  -4.453  -0.612
   35   2HG2  VAL   4          HG22      VAL   4  -4.966  -4.707   0.984
   36   3HG2  VAL   4          HG23      VAL   4  -3.654  -5.762   0.419
   37    H    LYS   5           H        LYS   5  -6.418  -9.107  -0.933
   38    HA   LYS   5           HA       LYS   5  -8.279  -8.870  -3.160
   39   1HB   LYS   5          HB2       LYS   5  -8.199 -11.110  -3.834
   40   2HB   LYS   5          HB3       LYS   5  -6.547 -10.518  -3.873
   41   1HG   LYS   5          HG2       LYS   5  -7.751 -12.334  -1.735
   42   2HG   LYS   5          HG3       LYS   5  -6.763 -12.852  -3.086
   43   1HD   LYS   5          HD2       LYS   5  -5.835 -11.173  -0.726
   44   2HD   LYS   5          HD3       LYS   5  -5.442 -12.853  -1.084
   45   1HE   LYS   5          HE2       LYS   5  -4.357 -12.101  -3.235
   46   2HE   LYS   5          HE3       LYS   5  -4.627 -10.424  -2.746
   47   1HZ   LYS   5          HZ1       LYS   5  -2.403 -11.167  -2.167
   48   2HZ   LYS   5          HZ2       LYS   5  -3.217 -10.869  -0.787
   49   3HZ   LYS   5          HZ3       LYS   5  -2.970 -12.406  -1.281
   50    H    ALA   6           H        ALA   6 -10.340  -9.850  -2.665
   51    HA   ALA   6           HA       ALA   6 -10.757 -10.737   0.113
   52   1HB   ALA   6          HB1       ALA   6 -12.274  -8.384  -1.100
   53   2HB   ALA   6          HB2       ALA   6 -12.488  -9.075   0.523
   54   3HB   ALA   6          HB3       ALA   6 -10.989  -8.229   0.121
   55    H    THR   7           H        THR   7 -13.247 -11.165   0.337
   56    HA   THR   7           HA       THR   7 -14.440 -12.185  -2.164
   57    HB   THR   7           HB       THR   7 -15.151 -14.243  -0.936
   58    HG1  THR   7           HG1      THR   7 -13.316 -13.326   1.027
   59   1HG2  THR   7          HG21      THR   7 -13.148 -14.333  -2.406
   60   2HG2  THR   7          HG22      THR   7 -12.114 -14.001  -1.002
   61   3HG2  THR   7          HG23      THR   7 -13.084 -15.488  -1.065
   62    H    ASP   8           H        ASP   8 -16.905 -12.758  -1.539
   63    HA   ASP   8           HA       ASP   8 -18.192 -10.499  -0.574
   64   1HB   ASP   8          HB2       ASP   8 -19.217 -12.553  -1.762
   65   2HB   ASP   8          HB3       ASP   8 -19.305 -13.303  -0.178
   66    H    GLN   9           H        GLN   9 -16.692 -13.002   1.296
   67    HA   GLN   9           HA       GLN   9 -18.105 -12.612   3.777
   68   1HB   GLN   9          HB2       GLN   9 -15.346 -13.810   3.403
   69   2HB   GLN   9          HB3       GLN   9 -16.529 -14.183   4.655
   70   1HG   GLN   9          HG2       GLN   9 -16.533 -15.021   1.735
   71   2HG   GLN   9          HG3       GLN   9 -16.438 -16.052   3.146
   72   1HE2  GLN   9          HE22      GLN   9 -18.434 -15.764   0.735
   73   2HE2  GLN   9          HE21      GLN   9 -19.989 -15.774   1.513
   74    H    SER  10           H        SER  10 -15.265 -11.126   2.280
   75    HA   SER  10           HA       SER  10 -14.668  -9.605   4.763
   76   1HB   SER  10          HB2       SER  10 -12.275  -9.986   4.003
   77   2HB   SER  10          HB3       SER  10 -13.165 -11.467   4.419
   78    HG   SER  10           HG       SER  10 -12.029 -11.729   2.491
   79    H    PHE  11           H        PHE  11 -15.346  -9.216   1.414
   80    HA   PHE  11           HA       PHE  11 -13.824  -7.018   0.694
   81   1HB   PHE  11          HB2       PHE  11 -15.417  -8.326  -0.717
   82   2HB   PHE  11          HB3       PHE  11 -16.768  -7.556   0.100
   83    HD1  PHE  11           HD1      PHE  11 -17.396  -5.233  -0.457
   84    HD2  PHE  11           HD2      PHE  11 -13.968  -7.122  -2.278
   85    HE1  PHE  11           HE1      PHE  11 -17.341  -3.473  -2.208
   86    HE2  PHE  11           HE2      PHE  11 -13.939  -5.387  -4.030
   87    HZ   PHE  11           HZ       PHE  11 -15.645  -3.562  -4.012
   88    H    SER  12           H        SER  12 -16.677  -7.090   2.851
   89    HA   SER  12           HA       SER  12 -17.044  -4.259   2.854
   90   1HB   SER  12          HB2       SER  12 -17.908  -6.254   4.986
   91   2HB   SER  12          HB3       SER  12 -18.650  -4.689   4.609
   92    HG   SER  12           HG       SER  12 -19.802  -6.449   3.691
   93    H    ALA  13           H        ALA  13 -15.069  -6.455   4.819
   94    HA   ALA  13           HA       ALA  13 -14.422  -4.495   6.840
   95   1HB   ALA  13          HB1       ALA  13 -12.771  -6.170   7.567
   96   2HB   ALA  13          HB2       ALA  13 -14.353  -6.927   7.306
   97   3HB   ALA  13          HB3       ALA  13 -13.057  -7.124   6.099
   98    H    GLU  14           H        GLU  14 -13.038  -5.597   3.732
   99    HA   GLU  14           HA       GLU  14 -10.582  -4.162   4.115
  100   1HB   GLU  14          HB2       GLU  14 -11.865  -5.497   1.703
  101   2HB   GLU  14          HB3       GLU  14 -10.295  -4.694   1.614
  102   1HG   GLU  14          HG2       GLU  14 -10.997  -6.939   3.533
  103   2HG   GLU  14          HG3       GLU  14 -10.143  -7.153   2.001
  104    H    THR  15           H        THR  15 -13.634  -3.424   2.359
  105    HA   THR  15           HA       THR  15 -12.469  -1.114   1.132
  106    HB   THR  15           HB       THR  15 -14.844  -0.709   0.374
  107    HG1  THR  15           HG1      THR  15 -15.280  -3.315   1.386
  108   1HG2  THR  15          HG21      THR  15 -14.788  -2.650  -1.168
  109   2HG2  THR  15          HG22      THR  15 -13.219  -1.864  -1.025
  110   3HG2  THR  15          HG23      THR  15 -13.508  -3.403  -0.196
  111    H    SER  16           H        SER  16 -13.234  -1.465   4.319
  112    HA   SER  16           HA       SER  16 -14.450   1.215   4.595
  113   1HB   SER  16          HB2       SER  16 -15.303   0.283   6.760
  114   2HB   SER  16          HB3       SER  16 -15.891  -0.508   5.290
  115    HG   SER  16           HG       SER  16 -15.037  -2.273   5.833
  116    H    GLU  17           H        GLU  17 -11.599   0.857   4.239
  117    HA   GLU  17           HA       GLU  17 -10.683   2.077   6.815
  118   1HB   GLU  17          HB2       GLU  17  -9.150   0.131   5.046
  119   2HB   GLU  17          HB3       GLU  17  -8.540   0.901   6.519
  120   1HG   GLU  17          HG2       GLU  17 -10.411  -0.216   7.798
  121   2HG   GLU  17          HG3       GLU  17 -10.781  -1.141   6.334
  122    H    GLY  18           H        GLY  18 -11.180   2.894   3.603
  123   1HA   GLY  18          HA2       GLY  18  -9.751   5.269   3.579
  124   2HA   GLY  18          HA3       GLY  18  -8.620   4.022   2.973
  125    H    VAL  19           H        VAL  19  -8.790   5.459   0.963
  126    HA   VAL  19           HA       VAL  19 -11.157   4.998  -0.717
  127    HB   VAL  19           HB       VAL  19  -8.309   5.882  -1.381
  128   1HG1  VAL  19          HG11      VAL  19  -9.391   4.891  -3.369
  129   2HG1  VAL  19          HG12      VAL  19 -10.826   5.906  -3.116
  130   3HG1  VAL  19          HG13      VAL  19  -9.268   6.643  -3.552
  131   1HG2  VAL  19          HG21      VAL  19  -9.538   7.548   0.011
  132   2HG2  VAL  19          HG22      VAL  19  -9.206   8.101  -1.630
  133   3HG2  VAL  19          HG23      VAL  19 -10.842   7.562  -1.208
  134    H    VAL  20           H        VAL  20 -11.461   3.099  -1.853
  135    HA   VAL  20           HA       VAL  20  -9.194   1.204  -2.021
  136    HB   VAL  20           HB       VAL  20 -11.991   0.430  -1.118
  137   1HG1  VAL  20          HG11      VAL  20 -10.861  -1.342  -2.364
  138   2HG1  VAL  20          HG12      VAL  20  -9.378  -1.109  -1.419
  139   3HG1  VAL  20          HG13      VAL  20 -10.843  -1.748  -0.642
  140   1HG2  VAL  20          HG21      VAL  20 -11.152   1.488   0.782
  141   2HG2  VAL  20          HG22      VAL  20 -10.597  -0.165   1.049
  142   3HG2  VAL  20          HG23      VAL  20  -9.470   1.047   0.455
  143    H    LEU  21           H        LEU  21  -8.855   0.765  -4.054
  144    HA   LEU  21           HA       LEU  21 -10.972   1.119  -6.098
  145   1HB   LEU  21          HB2       LEU  21  -8.714   2.088  -6.488
  146   2HB   LEU  21          HB3       LEU  21  -7.996   0.488  -6.276
  147    HG   LEU  21           HG       LEU  21  -9.230  -0.332  -8.287
  148   1HD1  LEU  21          HD11      LEU  21 -10.248   1.394  -9.808
  149   2HD1  LEU  21          HD12      LEU  21 -11.181   1.133  -8.335
  150   3HD1  LEU  21          HD13      LEU  21 -10.147   2.574  -8.492
  151   1HD2  LEU  21          HD21      LEU  21  -6.932   0.570  -8.463
  152   2HD2  LEU  21          HD22      LEU  21  -7.880   0.861  -9.927
  153   3HD2  LEU  21          HD23      LEU  21  -7.589   2.191  -8.779
  154    H    ALA  22           H        ALA  22 -12.316  -0.650  -5.886
  155    HA   ALA  22           HA       ALA  22 -11.197  -3.363  -5.530
  156   1HB   ALA  22          HB1       ALA  22 -13.580  -4.041  -5.831
  157   2HB   ALA  22          HB2       ALA  22 -13.334  -2.912  -4.477
  158   3HB   ALA  22          HB3       ALA  22 -14.016  -2.330  -6.016
  159    H    ASP  23           H        ASP  23 -11.168  -4.875  -7.177
  160    HA   ASP  23           HA       ASP  23 -11.816  -4.014  -9.954
  161   1HB   ASP  23          HB2       ASP  23  -9.425  -3.755  -9.763
  162   2HB   ASP  23          HB3       ASP  23  -9.271  -5.332  -8.985
  163    H    PHE  24           H        PHE  24 -13.590  -5.139 -10.149
  164    HA   PHE  24           HA       PHE  24 -13.924  -7.913  -9.286
  165   1HB   PHE  24          HB2       PHE  24 -15.654  -5.964 -10.861
  166   2HB   PHE  24          HB3       PHE  24 -16.100  -7.626 -10.542
  167    HD1  PHE  24           HD1      PHE  24 -16.985  -8.309  -8.402
  168    HD2  PHE  24           HD2      PHE  24 -15.343  -4.349  -8.891
  169    HE1  PHE  24           HE1      PHE  24 -17.782  -7.696  -6.143
  170    HE2  PHE  24           HE2      PHE  24 -16.124  -3.759  -6.612
  171    HZ   PHE  24           HZ       PHE  24 -17.313  -5.432  -5.226
  172    H    TRP  25           H        TRP  25 -12.941  -9.460 -10.477
  173    HA   TRP  25           HA       TRP  25 -12.482  -8.999 -13.382
  174   1HB   TRP  25          HB2       TRP  25 -10.198  -9.430 -13.234
  175   2HB   TRP  25          HB3       TRP  25 -10.511  -8.254 -11.978
  176    HD1  TRP  25           HD1      TRP  25 -10.880  -9.513  -9.441
  177    HE1  TRP  25           HE1      TRP  25  -9.525 -11.404  -8.367
  178    HE3  TRP  25           HE3      TRP  25  -8.568 -11.315 -13.638
  179    HZ2  TRP  25           HZ2      TRP  25  -7.598 -13.388  -9.214
  180    HZ3  TRP  25           HZ3      TRP  25  -6.927 -13.161 -13.460
  181    HH2  TRP  25           HH2      TRP  25  -6.453 -14.221 -11.267
  182    H    ALA  26           H        ALA  26 -11.335 -11.101 -14.259
  183    HA   ALA  26           HA       ALA  26 -11.879 -13.566 -12.935
  184   1HB   ALA  26          HB1       ALA  26 -14.123 -13.179 -14.012
  185   2HB   ALA  26          HB2       ALA  26 -13.311 -13.053 -15.591
  186   3HB   ALA  26          HB3       ALA  26 -13.273 -14.577 -14.680
  187    HA   PRO  27           HA       PRO  27  -8.159 -13.963 -15.181
  188   1HB   PRO  27          HB2       PRO  27  -7.632 -16.648 -15.179
  189   2HB   PRO  27          HB3       PRO  27  -7.699 -15.676 -13.679
  190   1HG   PRO  27          HG2       PRO  27  -9.895 -17.391 -14.882
  191   2HG   PRO  27          HG3       PRO  27  -9.314 -17.365 -13.186
  192   1HD   PRO  27          HD2       PRO  27 -11.517 -15.960 -14.011
  193   2HD   PRO  27          HD3       PRO  27 -10.415 -15.330 -12.743
  194    H    TRP  28           H        TRP  28 -10.940 -15.571 -16.640
  195    HA   TRP  28           HA       TRP  28  -9.519 -16.324 -19.063
  196   1HB   TRP  28          HB2       TRP  28 -11.878 -16.852 -19.828
  197   2HB   TRP  28          HB3       TRP  28 -11.243 -17.737 -18.463
  198    HD1  TRP  28           HD1      TRP  28 -12.986 -14.290 -18.143
  199    HE1  TRP  28           HE1      TRP  28 -15.116 -14.557 -16.780
  200    HE3  TRP  28           HE3      TRP  28 -12.908 -19.376 -17.525
  201    HZ2  TRP  28           HZ2      TRP  28 -16.575 -16.698 -15.477
  202    HZ3  TRP  28           HZ3      TRP  28 -14.677 -20.498 -16.198
  203    HH2  TRP  28           HH2      TRP  28 -16.512 -19.171 -15.171
  204    H    CYS  29           H        CYS  29 -10.476 -13.293 -17.921
  205    HA   CYS  29           HA       CYS  29 -11.342 -12.289 -20.575
  206   1HB   CYS  29          HB2       CYS  29 -12.697 -11.715 -18.584
  207   2HB   CYS  29          HB3       CYS  29 -11.267 -10.981 -17.838
  208    HG   CYS  29           HG       CYS  29 -12.991  -9.144 -18.763
  209    H    GLY  30           H        GLY  30  -9.764 -11.431 -21.862
  210   1HA   GLY  30          HA2       GLY  30  -7.033 -11.212 -21.219
  211   2HA   GLY  30          HA3       GLY  30  -7.842 -10.427 -22.579
  212    HA   PRO  31           HA       PRO  31  -7.736  -6.374 -20.844
  213   1HB   PRO  31          HB2       PRO  31 -10.640  -6.563 -20.044
  214   2HB   PRO  31          HB3       PRO  31  -9.759  -5.152 -20.719
  215   1HG   PRO  31          HG2       PRO  31 -11.201  -6.744 -22.357
  216   2HG   PRO  31          HG3       PRO  31  -9.549  -6.246 -22.851
  217   1HD   PRO  31          HD2       PRO  31 -10.461  -8.883 -21.716
  218   2HD   PRO  31          HD3       PRO  31  -9.251  -8.554 -22.985
  219    H    CYS  32           H        CYS  32  -9.393  -8.588 -18.483
  220    HA   CYS  32           HA       CYS  32  -8.776  -7.102 -16.142
  221   1HB   CYS  32          HB2       CYS  32  -8.940 -10.133 -16.539
  222   2HB   CYS  32          HB3       CYS  32  -8.891  -9.309 -14.986
  223    HG   CYS  32           HG       CYS  32 -11.299 -10.284 -16.018
  224    H    LYS  33           H        LYS  33  -6.723  -9.195 -18.141
  225    HA   LYS  33           HA       LYS  33  -4.527  -9.130 -16.149
  226   1HB   LYS  33          HB2       LYS  33  -4.814 -10.444 -18.883
  227   2HB   LYS  33          HB3       LYS  33  -3.370 -10.547 -17.868
  228   1HG   LYS  33          HG2       LYS  33  -4.572 -11.650 -16.083
  229   2HG   LYS  33          HG3       LYS  33  -6.128 -11.419 -16.873
  230   1HD   LYS  33          HD2       LYS  33  -3.895 -13.181 -17.950
  231   2HD   LYS  33          HD3       LYS  33  -5.314 -13.719 -17.035
  232   1HE   LYS  33          HE2       LYS  33  -6.740 -12.554 -18.846
  233   2HE   LYS  33          HE3       LYS  33  -5.253 -12.465 -19.808
  234   1HZ   LYS  33          HZ1       LYS  33  -6.464 -14.447 -20.370
  235   2HZ   LYS  33          HZ2       LYS  33  -5.130 -14.931 -19.563
  236   3HZ   LYS  33          HZ3       LYS  33  -6.595 -14.902 -18.803
  237    H    MET  34           H        MET  34  -5.455  -7.684 -19.302
  238    HA   MET  34           HA       MET  34  -3.003  -6.348 -19.805
  239   1HB   MET  34          HB2       MET  34  -5.832  -5.453 -20.476
  240   2HB   MET  34          HB3       MET  34  -4.363  -4.770 -21.161
  241   1HG   MET  34          HG2       MET  34  -3.787  -6.838 -22.257
  242   2HG   MET  34          HG3       MET  34  -5.090  -7.705 -21.449
  243   1HE   MET  34          HE1       MET  34  -6.329  -7.822 -25.120
  244   2HE   MET  34          HE2       MET  34  -4.658  -7.964 -24.532
  245   3HE   MET  34          HE3       MET  34  -5.984  -8.747 -23.641
  246    H    ILE  35           H        ILE  35  -5.804  -5.379 -17.737
  247    HA   ILE  35           HA       ILE  35  -4.578  -2.819 -17.158
  248    HB   ILE  35           HB       ILE  35  -7.043  -3.320 -17.294
  249   1HG1  ILE  35          HG12      ILE  35  -6.057  -1.824 -14.836
  250   2HG1  ILE  35          HG13      ILE  35  -6.110  -1.205 -16.489
  251   1HG2  ILE  35          HG21      ILE  35  -6.756  -4.314 -14.432
  252   2HG2  ILE  35          HG22      ILE  35  -8.247  -4.163 -15.384
  253   3HG2  ILE  35          HG23      ILE  35  -7.038  -5.351 -15.844
  254   1HD1  ILE  35          HD11      ILE  35  -8.005  -0.334 -15.336
  255   2HD1  ILE  35          HD12      ILE  35  -8.625  -1.571 -16.446
  256   3HD1  ILE  35          HD13      ILE  35  -8.469  -1.929 -14.713
  257    H    ALA  36           H        ALA  36  -3.925  -5.972 -15.912
  258    HA   ALA  36           HA       ALA  36  -3.552  -5.454 -13.193
  259   1HB   ALA  36          HB1       ALA  36  -3.511  -7.708 -14.172
  260   2HB   ALA  36          HB2       ALA  36  -1.936  -7.365 -14.920
  261   3HB   ALA  36          HB3       ALA  36  -2.088  -7.397 -13.158
  262    HA   PRO  37           HA       PRO  37   0.922  -3.950 -13.875
  263   1HB   PRO  37          HB2       PRO  37   1.602  -2.775 -16.301
  264   2HB   PRO  37          HB3       PRO  37   1.958  -4.465 -15.837
  265   1HG   PRO  37          HG2       PRO  37  -0.380  -3.430 -17.464
  266   2HG   PRO  37          HG3       PRO  37   0.688  -4.827 -17.820
  267   1HD   PRO  37          HD2       PRO  37  -1.710  -5.214 -16.687
  268   2HD   PRO  37          HD3       PRO  37  -0.304  -6.132 -16.101
  269    H    VAL  38           H        VAL  38  -1.855  -2.332 -15.473
  270    HA   VAL  38           HA       VAL  38  -0.991   0.323 -14.815
  271    HB   VAL  38           HB       VAL  38  -3.859  -0.611 -15.235
  272   1HG1  VAL  38          HG11      VAL  38  -4.194   1.708 -15.995
  273   2HG1  VAL  38          HG12      VAL  38  -3.601   1.676 -14.335
  274   3HG1  VAL  38          HG13      VAL  38  -2.487   2.068 -15.660
  275   1HG2  VAL  38          HG21      VAL  38  -1.808   0.233 -17.333
  276   2HG2  VAL  38          HG22      VAL  38  -2.583  -1.363 -17.200
  277   3HG2  VAL  38          HG23      VAL  38  -3.553   0.051 -17.615
  278    H    LEU  39           H        LEU  39  -3.003  -2.184 -13.173
  279    HA   LEU  39           HA       LEU  39  -3.586  -0.573 -10.893
  280   1HB   LEU  39          HB2       LEU  39  -3.485  -3.587 -11.242
  281   2HB   LEU  39          HB3       LEU  39  -4.052  -2.789  -9.780
  282    HG   LEU  39           HG       LEU  39  -5.301  -2.330 -12.528
  283   1HD1  LEU  39          HD11      LEU  39  -7.110  -3.804 -11.767
  284   2HD1  LEU  39          HD12      LEU  39  -5.565  -4.655 -11.864
  285   3HD1  LEU  39          HD13      LEU  39  -6.209  -4.161 -10.274
  286   1HD2  LEU  39          HD21      LEU  39  -7.203  -1.427 -11.230
  287   2HD2  LEU  39          HD22      LEU  39  -6.281  -1.631  -9.726
  288   3HD2  LEU  39          HD23      LEU  39  -5.742  -0.480 -10.969
  289    H    GLU  40           H        GLU  40  -0.802  -2.733 -11.652
  290    HA   GLU  40           HA       GLU  40   0.404  -2.408  -9.068
  291   1HB   GLU  40          HB2       GLU  40   1.573  -3.129 -11.781
  292   2HB   GLU  40          HB3       GLU  40   2.525  -3.060 -10.294
  293   1HG   GLU  40          HG2       GLU  40   1.027  -4.729  -9.236
  294   2HG   GLU  40          HG3       GLU  40   0.101  -4.858 -10.728
  295    H    GLU  41           H        GLU  41   0.603  -0.443 -12.064
  296    HA   GLU  41           HA       GLU  41   2.523   1.416 -11.036
  297   1HB   GLU  41          HB2       GLU  41   0.436   1.472 -13.226
  298   2HB   GLU  41          HB3       GLU  41   1.188   2.970 -12.717
  299   1HG   GLU  41          HG2       GLU  41   2.703   0.510 -13.676
  300   2HG   GLU  41          HG3       GLU  41   2.307   1.912 -14.670
  301    H    LEU  42           H        LEU  42  -1.077   1.329 -10.904
  302    HA   LEU  42           HA       LEU  42  -1.346   3.749  -9.449
  303   1HB   LEU  42          HB2       LEU  42  -3.059   1.474 -10.224
  304   2HB   LEU  42          HB3       LEU  42  -3.458   2.059  -8.633
  305    HG   LEU  42           HG       LEU  42  -4.816   3.084 -10.349
  306   1HD1  LEU  42          HD11      LEU  42  -3.009   5.183  -9.086
  307   2HD1  LEU  42          HD12      LEU  42  -4.701   5.360  -9.599
  308   3HD1  LEU  42          HD13      LEU  42  -4.302   4.304  -8.238
  309   1HD2  LEU  42          HD21      LEU  42  -3.159   3.130 -12.206
  310   2HD2  LEU  42          HD22      LEU  42  -3.942   4.702 -11.963
  311   3HD2  LEU  42          HD23      LEU  42  -2.289   4.441 -11.392
  312    H    ASP  43           H        ASP  43  -0.763   0.400  -8.339
  313    HA   ASP  43           HA       ASP  43  -1.040   0.941  -5.560
  314   1HB   ASP  43          HB2       ASP  43  -0.994  -1.330  -6.384
  315   2HB   ASP  43          HB3       ASP  43   0.637  -1.123  -7.025
  316    H    GLN  44           H        GLN  44   1.818   1.098  -7.771
  317    HA   GLN  44           HA       GLN  44   3.646   1.968  -5.763
  318   1HB   GLN  44          HB2       GLN  44   3.554   2.160  -8.785
  319   2HB   GLN  44          HB3       GLN  44   4.916   2.811  -7.860
  320   1HG   GLN  44          HG2       GLN  44   5.508   0.662  -6.988
  321   2HG   GLN  44          HG3       GLN  44   4.000  -0.073  -7.527
  322   1HE2  GLN  44          HE22      GLN  44   3.623  -0.373  -9.809
  323   2HE2  GLN  44          HE21      GLN  44   4.971  -0.481 -10.941
  324    H    GLU  45           H        GLU  45   1.372   3.773  -7.807
  325    HA   GLU  45           HA       GLU  45   2.545   6.346  -7.158
  326   1HB   GLU  45          HB2       GLU  45   1.456   5.541  -9.355
  327   2HB   GLU  45          HB3       GLU  45  -0.097   5.735  -8.552
  328   1HG   GLU  45          HG2       GLU  45   0.312   7.683  -9.863
  329   2HG   GLU  45          HG3       GLU  45   0.497   8.170  -8.182
  330    H    MET  46           H        MET  46  -0.280   4.497  -6.079
  331    HA   MET  46           HA       MET  46  -1.121   6.688  -4.231
  332   1HB   MET  46          HB2       MET  46  -2.845   4.904  -5.996
  333   2HB   MET  46          HB3       MET  46  -3.450   6.060  -4.821
  334   1HG   MET  46          HG2       MET  46  -1.790   6.849  -7.242
  335   2HG   MET  46          HG3       MET  46  -3.545   6.785  -7.210
  336   1HE   MET  46          HE1       MET  46  -3.818   9.283  -8.013
  337   2HE   MET  46          HE2       MET  46  -2.912  10.629  -7.292
  338   3HE   MET  46          HE3       MET  46  -2.041   9.343  -8.152
  339    H    GLY  47           H        GLY  47  -0.222   3.326  -4.406
  340   1HA   GLY  47          HA2       GLY  47  -2.206   2.254  -2.673
  341   2HA   GLY  47          HA3       GLY  47  -0.680   1.503  -3.121
  342    H    ASP  48           H        ASP  48  -0.006   4.470  -1.824
  343    HA   ASP  48           HA       ASP  48   0.635   3.494   0.862
  344   1HB   ASP  48          HB2       ASP  48   2.016   5.442   1.043
  345   2HB   ASP  48          HB3       ASP  48   2.347   4.710  -0.524
  346    H    LYS  49           H        LYS  49  -1.725   5.401  -0.851
  347    HA   LYS  49           HA       LYS  49  -2.978   6.339   1.627
  348   1HB   LYS  49          HB2       LYS  49  -3.296   8.527   0.548
  349   2HB   LYS  49          HB3       LYS  49  -1.592   8.061   0.660
  350   1HG   LYS  49          HG2       LYS  49  -1.700   7.321  -1.752
  351   2HG   LYS  49          HG3       LYS  49  -3.307   8.032  -1.855
  352   1HD   LYS  49          HD2       LYS  49  -2.464  10.232  -1.516
  353   2HD   LYS  49          HD3       LYS  49  -0.907   9.666  -0.896
  354   1HE   LYS  49          HE2       LYS  49  -1.829   9.040  -3.710
  355   2HE   LYS  49          HE3       LYS  49  -1.011  10.560  -3.344
  356   1HZ   LYS  49          HZ1       LYS  49   0.939   9.420  -2.772
  357   2HZ   LYS  49          HZ2       LYS  49   0.228   7.958  -2.643
  358   3HZ   LYS  49          HZ3       LYS  49   0.432   8.630  -4.122
  359    H    LEU  50           H        LEU  50  -3.372   4.286  -0.793
  360    HA   LEU  50           HA       LEU  50  -6.253   4.261  -0.656
  361   1HB   LEU  50          HB2       LEU  50  -6.477   5.181  -2.676
  362   2HB   LEU  50          HB3       LEU  50  -4.783   5.129  -3.045
  363    HG   LEU  50           HG       LEU  50  -6.649   2.769  -3.510
  364   1HD1  LEU  50          HD11      LEU  50  -5.654   4.803  -5.508
  365   2HD1  LEU  50          HD12      LEU  50  -6.724   3.425  -5.821
  366   3HD1  LEU  50          HD13      LEU  50  -7.301   4.768  -4.828
  367   1HD2  LEU  50          HD21      LEU  50  -4.834   2.155  -5.193
  368   2HD2  LEU  50          HD22      LEU  50  -3.808   3.377  -4.443
  369   3HD2  LEU  50          HD23      LEU  50  -4.339   1.963  -3.520
  370    H    LYS  51           H        LYS  51  -6.961   2.039  -1.398
  371    HA   LYS  51           HA       LYS  51  -4.813  -0.039  -1.165
  372   1HB   LYS  51          HB2       LYS  51  -6.301   0.192   0.859
  373   2HB   LYS  51          HB3       LYS  51  -7.692  -0.129  -0.177
  374   1HG   LYS  51          HG2       LYS  51  -6.634  -2.392  -0.721
  375   2HG   LYS  51          HG3       LYS  51  -5.431  -2.042   0.525
  376   1HD   LYS  51          HD2       LYS  51  -8.461  -2.218   0.898
  377   2HD   LYS  51          HD3       LYS  51  -7.285  -3.462   1.330
  378   1HE   LYS  51          HE2       LYS  51  -6.242  -1.892   2.970
  379   2HE   LYS  51          HE3       LYS  51  -7.481  -0.674   2.592
  380   1HZ   LYS  51          HZ1       LYS  51  -9.150  -2.141   3.410
  381   2HZ   LYS  51          HZ2       LYS  51  -8.112  -3.405   3.561
  382   3HZ   LYS  51          HZ3       LYS  51  -7.986  -2.122   4.575
  383    H    ILE  52           H        ILE  52  -5.305  -1.973  -2.548
  384    HA   ILE  52           HA       ILE  52  -7.390  -1.491  -4.607
  385    HB   ILE  52           HB       ILE  52  -4.639  -2.672  -5.139
  386   1HG1  ILE  52          HG12      ILE  52  -5.812   0.063  -5.743
  387   2HG1  ILE  52          HG13      ILE  52  -4.357  -0.318  -4.817
  388   1HG2  ILE  52          HG21      ILE  52  -6.897  -2.053  -7.092
  389   2HG2  ILE  52          HG22      ILE  52  -5.314  -2.768  -7.486
  390   3HG2  ILE  52          HG23      ILE  52  -6.455  -3.677  -6.520
  391   1HD1  ILE  52          HD11      ILE  52  -3.675   0.604  -6.862
  392   2HD1  ILE  52          HD12      ILE  52  -3.284  -1.126  -6.932
  393   3HD1  ILE  52          HD13      ILE  52  -4.693  -0.486  -7.819
  394    H    VAL  53           H        VAL  53  -8.710  -3.316  -4.859
  395    HA   VAL  53           HA       VAL  53  -7.899  -5.750  -3.328
  396    HB   VAL  53           HB       VAL  53 -10.594  -4.335  -3.194
  397   1HG1  VAL  53          HG11      VAL  53 -10.931  -6.779  -3.140
  398   2HG1  VAL  53          HG12      VAL  53  -9.713  -6.927  -1.851
  399   3HG1  VAL  53          HG13      VAL  53 -11.240  -6.061  -1.560
  400   1HG2  VAL  53          HG21      VAL  53  -8.818  -3.314  -1.739
  401   2HG2  VAL  53          HG22      VAL  53 -10.143  -4.041  -0.819
  402   3HG2  VAL  53          HG23      VAL  53  -8.587  -4.886  -0.961
  403    H    LYS  54           H        LYS  54  -7.710  -7.289  -4.825
  404    HA   LYS  54           HA       LYS  54  -9.321  -7.418  -7.268
  405   1HB   LYS  54          HB2       LYS  54  -7.508  -9.423  -5.812
  406   2HB   LYS  54          HB3       LYS  54  -8.247  -9.722  -7.377
  407   1HG   LYS  54          HG2       LYS  54  -6.186  -7.561  -6.776
  408   2HG   LYS  54          HG3       LYS  54  -5.931  -9.091  -7.629
  409   1HD   LYS  54          HD2       LYS  54  -7.808  -8.290  -9.238
  410   2HD   LYS  54          HD3       LYS  54  -7.543  -6.681  -8.522
  411   1HE   LYS  54          HE2       LYS  54  -5.404  -6.481  -9.381
  412   2HE   LYS  54          HE3       LYS  54  -5.164  -8.239  -9.491
  413   1HZ   LYS  54          HZ1       LYS  54  -5.528  -7.129 -11.685
  414   2HZ   LYS  54          HZ2       LYS  54  -6.578  -8.338 -11.378
  415   3HZ   LYS  54          HZ3       LYS  54  -7.088  -6.799 -11.224
  416    H    ILE  55           H        ILE  55 -11.234  -8.576  -7.563
  417    HA   ILE  55           HA       ILE  55 -11.866 -10.683  -5.615
  418    HB   ILE  55           HB       ILE  55 -12.866  -8.808  -4.567
  419   1HG1  ILE  55          HG12      ILE  55 -15.116 -10.331  -5.920
  420   2HG1  ILE  55          HG13      ILE  55 -14.051 -11.024  -4.688
  421   1HG2  ILE  55          HG21      ILE  55 -14.557  -7.345  -5.552
  422   2HG2  ILE  55          HG22      ILE  55 -13.057  -7.220  -6.458
  423   3HG2  ILE  55          HG23      ILE  55 -14.403  -8.178  -7.104
  424   1HD1  ILE  55          HD11      ILE  55 -14.748  -9.276  -3.075
  425   2HD1  ILE  55          HD12      ILE  55 -15.900  -8.642  -4.278
  426   3HD1  ILE  55          HD13      ILE  55 -16.096 -10.277  -3.626
  427    H    ASP  56           H        ASP  56 -12.359 -12.457  -6.726
  428    HA   ASP  56           HA       ASP  56 -12.698 -12.335  -9.627
  429   1HB   ASP  56          HB2       ASP  56 -11.258 -14.015  -8.644
  430   2HB   ASP  56          HB3       ASP  56 -12.579 -14.632  -7.647
  431    H    VAL  57           H        VAL  57 -14.703 -12.072 -10.543
  432    HA   VAL  57           HA       VAL  57 -17.085 -12.087  -8.975
  433    HB   VAL  57           HB       VAL  57 -18.292 -11.771 -11.057
  434   1HG1  VAL  57          HG11      VAL  57 -17.283  -9.693 -11.760
  435   2HG1  VAL  57          HG12      VAL  57 -17.056  -9.882 -10.016
  436   3HG1  VAL  57          HG13      VAL  57 -15.698 -10.177 -11.119
  437   1HG2  VAL  57          HG21      VAL  57 -17.175 -11.695 -13.253
  438   2HG2  VAL  57          HG22      VAL  57 -15.680 -12.317 -12.529
  439   3HG2  VAL  57          HG23      VAL  57 -17.140 -13.322 -12.583
  440    H    ASP  58           H        ASP  58 -15.458 -14.686 -10.711
  441    HA   ASP  58           HA       ASP  58 -17.834 -16.351 -10.944
  442   1HB   ASP  58          HB2       ASP  58 -15.926 -16.379 -12.556
  443   2HB   ASP  58          HB3       ASP  58 -14.901 -17.065 -11.290
  444    H    GLU  59           H        GLU  59 -16.172 -15.436  -8.293
  445    HA   GLU  59           HA       GLU  59 -16.973 -17.868  -6.762
  446   1HB   GLU  59          HB2       GLU  59 -14.427 -16.209  -6.593
  447   2HB   GLU  59          HB3       GLU  59 -14.995 -17.125  -5.207
  448   1HG   GLU  59          HG2       GLU  59 -14.423 -18.408  -7.910
  449   2HG   GLU  59          HG3       GLU  59 -13.240 -18.250  -6.621
  450    H    ASN  60           H        ASN  60 -17.602 -14.627  -7.386
  451    HA   ASN  60           HA       ASN  60 -18.562 -14.065  -4.627
  452   1HB   ASN  60          HB2       ASN  60 -16.675 -12.269  -6.204
  453   2HB   ASN  60          HB3       ASN  60 -17.522 -11.820  -4.729
  454   1HD2  ASN  60          HD22      ASN  60 -14.806 -13.578  -6.002
  455   2HD2  ASN  60          HD21      ASN  60 -14.165 -14.112  -4.453
  456    H    GLN  61           H        GLN  61 -20.140 -14.875  -6.529
  457    HA   GLN  61           HA       GLN  61 -21.300 -13.099  -8.374
  458   1HB   GLN  61          HB2       GLN  61 -22.848 -15.119  -6.683
  459   2HB   GLN  61          HB3       GLN  61 -23.233 -14.519  -8.275
  460   1HG   GLN  61          HG2       GLN  61 -22.517 -16.746  -8.526
  461   2HG   GLN  61          HG3       GLN  61 -21.249 -15.723  -9.194
  462   1HE2  GLN  61          HE22      GLN  61 -21.481 -16.259  -5.549
  463   2HE2  GLN  61          HE21      GLN  61 -20.088 -17.296  -5.535
  464    H    GLU  62           H        GLU  62 -21.923 -13.668  -4.922
  465    HA   GLU  62           HA       GLU  62 -24.141 -11.987  -4.576
  466   1HB   GLU  62          HB2       GLU  62 -21.978 -13.030  -2.682
  467   2HB   GLU  62          HB3       GLU  62 -23.418 -12.179  -2.131
  468   1HG   GLU  62          HG2       GLU  62 -23.826 -14.496  -1.832
  469   2HG   GLU  62          HG3       GLU  62 -24.872 -13.907  -3.116
  470    H    THR  63           H        THR  63 -20.656 -11.192  -4.532
  471    HA   THR  63           HA       THR  63 -21.198  -8.571  -3.415
  472    HB   THR  63           HB       THR  63 -18.587  -9.182  -4.648
  473    HG1  THR  63           HG1      THR  63 -19.626 -10.445  -2.350
  474   1HG2  THR  63          HG21      THR  63 -17.690  -8.118  -2.646
  475   2HG2  THR  63          HG22      THR  63 -18.926  -7.088  -3.384
  476   3HG2  THR  63          HG23      THR  63 -19.308  -8.038  -1.926
  477    H    ALA  64           H        ALA  64 -20.147  -9.951  -6.591
  478    HA   ALA  64           HA       ALA  64 -19.999  -7.413  -7.871
  479   1HB   ALA  64          HB1       ALA  64 -20.687 -10.144  -9.082
  480   2HB   ALA  64          HB2       ALA  64 -19.954  -8.759  -9.932
  481   3HB   ALA  64          HB3       ALA  64 -19.042  -9.620  -8.683
  482    H    GLY  65           H        GLY  65 -22.682  -9.810  -7.691
  483   1HA   GLY  65          HA2       GLY  65 -24.662  -8.334  -9.059
  484   2HA   GLY  65          HA3       GLY  65 -24.925  -9.601  -7.847
  485    H    LYS  66           H        LYS  66 -23.339  -7.872  -5.810
  486    HA   LYS  66           HA       LYS  66 -25.500  -6.533  -4.569
  487   1HB   LYS  66          HB2       LYS  66 -22.989  -7.286  -3.806
  488   2HB   LYS  66          HB3       LYS  66 -22.712  -5.569  -4.032
  489   1HG   LYS  66          HG2       LYS  66 -24.659  -5.129  -2.483
  490   2HG   LYS  66          HG3       LYS  66 -24.815  -6.873  -2.242
  491   1HD   LYS  66          HD2       LYS  66 -22.452  -5.102  -1.520
  492   2HD   LYS  66          HD3       LYS  66 -23.569  -5.867  -0.391
  493   1HE   LYS  66          HE2       LYS  66 -21.436  -7.170  -2.111
  494   2HE   LYS  66          HE3       LYS  66 -21.451  -7.026  -0.359
  495   1HZ   LYS  66          HZ1       LYS  66 -23.360  -8.559  -0.327
  496   2HZ   LYS  66          HZ2       LYS  66 -23.249  -8.767  -1.963
  497   3HZ   LYS  66          HZ3       LYS  66 -22.029  -9.248  -0.997
  498    H    TYR  67           H        TYR  67 -23.291  -5.478  -7.115
  499    HA   TYR  67           HA       TYR  67 -24.604  -2.802  -7.111
  500   1HB   TYR  67          HB2       TYR  67 -21.873  -3.207  -8.262
  501   2HB   TYR  67          HB3       TYR  67 -22.589  -1.758  -7.583
  502    HD1  TYR  67           HD1      TYR  67 -20.642  -4.776  -7.010
  503    HD2  TYR  67           HD2      TYR  67 -22.688  -1.555  -4.994
  504    HE1  TYR  67           HE1      TYR  67 -19.529  -5.400  -4.940
  505    HE2  TYR  67           HE2      TYR  67 -21.506  -2.128  -2.890
  506    HH   TYR  67           HH       TYR  67 -19.247  -4.901  -2.641
  507    H    GLY  68           H        GLY  68 -25.104  -5.547  -8.518
  508   1HA   GLY  68          HA2       GLY  68 -25.939  -6.234 -10.490
  509   2HA   GLY  68          HA3       GLY  68 -25.982  -4.545 -11.023
  510    H    VAL  69           H        VAL  69 -22.881  -5.958 -10.098
  511    HA   VAL  69           HA       VAL  69 -21.885  -5.653 -12.852
  512    HB   VAL  69           HB       VAL  69 -20.494  -6.407 -10.239
  513   1HG1  VAL  69          HG11      VAL  69 -19.234  -7.310 -12.149
  514   2HG1  VAL  69          HG12      VAL  69 -19.292  -5.724 -12.952
  515   3HG1  VAL  69          HG13      VAL  69 -18.391  -5.940 -11.435
  516   1HG2  VAL  69          HG21      VAL  69 -21.307  -4.085 -10.216
  517   2HG2  VAL  69          HG22      VAL  69 -19.550  -4.121 -10.356
  518   3HG2  VAL  69          HG23      VAL  69 -20.555  -3.781 -11.786
  519    H    MET  70           H        MET  70 -21.850  -7.331 -14.228
  520    HA   MET  70           HA       MET  70 -21.109 -10.002 -13.337
  521   1HB   MET  70          HB2       MET  70 -23.840  -9.357 -14.414
  522   2HB   MET  70          HB3       MET  70 -23.071 -10.789 -15.075
  523   1HG   MET  70          HG2       MET  70 -23.530 -10.336 -12.111
  524   2HG   MET  70          HG3       MET  70 -24.520 -11.296 -13.188
  525   1HE   MET  70          HE1       MET  70 -20.910 -11.075 -11.459
  526   2HE   MET  70          HE2       MET  70 -22.199 -11.702 -10.409
  527   3HE   MET  70          HE3       MET  70 -20.869 -12.766 -10.926
  528    H    SER  71           H        SER  71 -19.803  -7.797 -14.647
  529    HA   SER  71           HA       SER  71 -18.887  -9.068 -17.086
  530   1HB   SER  71          HB2       SER  71 -19.699  -6.124 -16.996
  531   2HB   SER  71          HB3       SER  71 -19.024  -6.990 -18.383
  532    HG   SER  71           HG       SER  71 -20.938  -8.255 -18.429
  533    H    ILE  72           H        ILE  72 -16.672  -8.279 -17.550
  534    HA   ILE  72           HA       ILE  72 -15.374  -6.831 -15.354
  535    HB   ILE  72           HB       ILE  72 -13.777  -8.589 -14.986
  536   1HG1  ILE  72          HG12      ILE  72 -13.839  -9.799 -17.124
  537   2HG1  ILE  72          HG13      ILE  72 -13.815 -10.789 -15.690
  538   1HG2  ILE  72          HG21      ILE  72 -15.087 -10.081 -13.611
  539   2HG2  ILE  72          HG22      ILE  72 -15.698  -8.422 -13.495
  540   3HG2  ILE  72          HG23      ILE  72 -16.575  -9.621 -14.454
  541   1HD1  ILE  72          HD11      ILE  72 -16.248 -10.329 -17.455
  542   2HD1  ILE  72          HD12      ILE  72 -15.245 -11.779 -17.368
  543   3HD1  ILE  72          HD13      ILE  72 -16.221 -11.315 -15.969
  544    HA   PRO  73           HA       PRO  73 -12.935  -6.639 -14.849
  545   1HB   PRO  73          HB2       PRO  73 -11.305  -4.466 -15.164
  546   2HB   PRO  73          HB3       PRO  73 -10.777  -6.146 -15.449
  547   1HG   PRO  73          HG2       PRO  73 -11.663  -4.089 -17.476
  548   2HG   PRO  73          HG3       PRO  73 -10.273  -5.217 -17.572
  549   1HD   PRO  73          HD2       PRO  73 -12.676  -5.706 -18.813
  550   2HD   PRO  73          HD3       PRO  73 -11.665  -7.021 -18.146
  551    H    THR  74           H        THR  74 -13.924  -5.332 -13.356
  552    HA   THR  74           HA       THR  74 -15.160  -2.794 -14.268
  553    HB   THR  74           HB       THR  74 -16.528  -4.999 -12.686
  554    HG1  THR  74           HG1      THR  74 -17.322  -5.414 -14.551
  555   1HG2  THR  74          HG21      THR  74 -17.172  -2.964 -11.610
  556   2HG2  THR  74          HG22      THR  74 -17.265  -2.078 -13.142
  557   3HG2  THR  74          HG23      THR  74 -18.475  -3.320 -12.756
  558    H    LEU  75           H        LEU  75 -14.398  -1.231 -13.099
  559    HA   LEU  75           HA       LEU  75 -12.898  -1.807 -10.597
  560   1HB   LEU  75          HB2       LEU  75 -12.995   0.653 -12.399
  561   2HB   LEU  75          HB3       LEU  75 -12.087   0.536 -10.899
  562    HG   LEU  75           HG       LEU  75 -11.588  -1.130 -13.408
  563   1HD1  LEU  75          HD11      LEU  75 -10.973   1.246 -13.656
  564   2HD1  LEU  75          HD12      LEU  75  -9.994   1.152 -12.175
  565   3HD1  LEU  75          HD13      LEU  75  -9.538   0.216 -13.608
  566   1HD2  LEU  75          HD21      LEU  75 -10.043  -1.037 -10.775
  567   2HD2  LEU  75          HD22      LEU  75 -10.933  -2.423 -11.444
  568   3HD2  LEU  75          HD23      LEU  75  -9.492  -1.838 -12.267
  569    H    LEU  76           H        LEU  76 -13.696  -0.964  -8.700
  570    HA   LEU  76           HA       LEU  76 -15.990   0.951  -8.828
  571   1HB   LEU  76          HB2       LEU  76 -15.765  -1.577  -7.212
  572   2HB   LEU  76          HB3       LEU  76 -16.291  -0.122  -6.376
  573    HG   LEU  76           HG       LEU  76 -18.101   0.199  -8.038
  574   1HD1  LEU  76          HD11      LEU  76 -18.821  -1.719  -9.419
  575   2HD1  LEU  76          HD12      LEU  76 -17.230  -1.149  -9.917
  576   3HD1  LEU  76          HD13      LEU  76 -17.366  -2.624  -8.943
  577   1HD2  LEU  76          HD21      LEU  76 -18.466  -0.867  -5.822
  578   2HD2  LEU  76          HD22      LEU  76 -19.566  -1.484  -7.059
  579   3HD2  LEU  76          HD23      LEU  76 -18.176  -2.459  -6.548
  580    H    VAL  77           H        VAL  77 -15.529   2.775  -7.686
  581    HA   VAL  77           HA       VAL  77 -13.003   2.807  -6.088
  582    HB   VAL  77           HB       VAL  77 -14.678   5.168  -7.018
  583   1HG1  VAL  77          HG11      VAL  77 -11.862   5.021  -5.850
  584   2HG1  VAL  77          HG12      VAL  77 -12.712   6.498  -6.354
  585   3HG1  VAL  77          HG13      VAL  77 -13.312   5.563  -4.980
  586   1HG2  VAL  77          HG21      VAL  77 -12.099   4.094  -8.240
  587   2HG2  VAL  77          HG22      VAL  77 -13.691   4.153  -9.028
  588   3HG2  VAL  77          HG23      VAL  77 -12.853   5.654  -8.633
  589    H    LEU  78           H        LEU  78 -13.418   2.481  -3.990
  590    HA   LEU  78           HA       LEU  78 -16.035   3.326  -2.868
  591   1HB   LEU  78          HB2       LEU  78 -14.270   1.051  -1.859
  592   2HB   LEU  78          HB3       LEU  78 -15.764   1.622  -1.144
  593    HG   LEU  78           HG       LEU  78 -16.641   1.031  -3.694
  594   1HD1  LEU  78          HD11      LEU  78 -14.537  -1.063  -3.018
  595   2HD1  LEU  78          HD12      LEU  78 -15.733  -1.160  -4.325
  596   3HD1  LEU  78          HD13      LEU  78 -14.467   0.077  -4.367
  597   1HD2  LEU  78          HD21      LEU  78 -17.724   0.333  -1.587
  598   2HD2  LEU  78          HD22      LEU  78 -17.635  -0.989  -2.753
  599   3HD2  LEU  78          HD23      LEU  78 -16.508  -0.940  -1.379
  600    H    LYS  79           H        LYS  79 -15.845   4.172  -0.672
  601    HA   LYS  79           HA       LYS  79 -13.135   4.822   0.256
  602   1HB   LYS  79          HB2       LYS  79 -13.880   6.704  -1.253
  603   2HB   LYS  79          HB3       LYS  79 -15.240   6.994  -0.158
  604   1HG   LYS  79          HG2       LYS  79 -13.649   7.475   1.693
  605   2HG   LYS  79          HG3       LYS  79 -12.289   7.076   0.627
  606   1HD   LYS  79          HD2       LYS  79 -13.125   8.923  -0.937
  607   2HD   LYS  79          HD3       LYS  79 -14.245   9.402   0.354
  608   1HE   LYS  79          HE2       LYS  79 -12.295   9.777   1.877
  609   2HE   LYS  79          HE3       LYS  79 -11.205   9.240   0.592
  610   1HZ   LYS  79          HZ1       LYS  79 -11.169  11.535   0.408
  611   2HZ   LYS  79          HZ2       LYS  79 -12.197  11.101  -0.760
  612   3HZ   LYS  79          HZ3       LYS  79 -12.800  11.714   0.646
  613    H    ASP  80           H        ASP  80 -13.105   4.353   2.367
  614    HA   ASP  80           HA       ASP  80 -13.789   3.702   4.404
  615   1HB   ASP  80          HB2       ASP  80 -13.617   6.159   4.505
  616   2HB   ASP  80          HB3       ASP  80 -15.344   6.300   4.183
  617    H    GLY  81           H        GLY  81 -15.303   2.296   2.502
  618   1HA   GLY  81          HA2       GLY  81 -16.730   0.562   2.992
  619   2HA   GLY  81          HA3       GLY  81 -17.513   1.501   4.264
  620    H    GLU  82           H        GLU  82 -17.381   3.383   1.375
  621    HA   GLU  82           HA       GLU  82 -20.060   2.387   0.471
  622   1HB   GLU  82          HB2       GLU  82 -19.110   5.282   0.694
  623   2HB   GLU  82          HB3       GLU  82 -20.653   4.729   0.034
  624   1HG   GLU  82          HG2       GLU  82 -21.192   3.746   2.294
  625   2HG   GLU  82          HG3       GLU  82 -19.715   4.500   2.916
  626    H    VAL  83           H        VAL  83 -20.279   2.257  -1.776
  627    HA   VAL  83           HA       VAL  83 -17.953   2.728  -3.503
  628    HB   VAL  83           HB       VAL  83 -19.394   0.859  -3.973
  629   1HG1  VAL  83          HG11      VAL  83 -21.689   1.065  -4.792
  630   2HG1  VAL  83          HG12      VAL  83 -21.573   1.616  -3.122
  631   3HG1  VAL  83          HG13      VAL  83 -21.688   2.803  -4.441
  632   1HG2  VAL  83          HG21      VAL  83 -19.690   2.998  -6.118
  633   2HG2  VAL  83          HG22      VAL  83 -18.263   1.973  -5.850
  634   3HG2  VAL  83          HG23      VAL  83 -19.797   1.246  -6.349
  635    H    VAL  84           H        VAL  84 -17.532   4.460  -4.628
  636    HA   VAL  84           HA       VAL  84 -19.437   6.737  -4.558
  637    HB   VAL  84           HB       VAL  84 -17.613   8.271  -4.247
  638   1HG1  VAL  84          HG11      VAL  84 -17.069   7.850  -1.927
  639   2HG1  VAL  84          HG12      VAL  84 -18.727   7.304  -2.222
  640   3HG1  VAL  84          HG13      VAL  84 -17.414   6.122  -2.090
  641   1HG2  VAL  84          HG21      VAL  84 -15.732   5.888  -3.983
  642   2HG2  VAL  84          HG22      VAL  84 -15.772   7.038  -5.346
  643   3HG2  VAL  84          HG23      VAL  84 -15.320   7.589  -3.727
  644    H    GLU  85           H        GLU  85 -17.341   4.656  -6.497
  645    HA   GLU  85           HA       GLU  85 -18.540   5.937  -8.818
  646   1HB   GLU  85          HB2       GLU  85 -15.851   6.725  -8.055
  647   2HB   GLU  85          HB3       GLU  85 -15.753   5.820  -9.557
  648   1HG   GLU  85          HG2       GLU  85 -17.590   8.202  -9.067
  649   2HG   GLU  85          HG3       GLU  85 -15.996   8.290  -9.782
  650    H    THR  86           H        THR  86 -17.906   4.780 -10.881
  651    HA   THR  86           HA       THR  86 -16.909   2.031 -10.554
  652    HB   THR  86           HB       THR  86 -19.707   2.748 -11.526
  653    HG1  THR  86           HG1      THR  86 -18.819   2.258  -9.164
  654   1HG2  THR  86          HG21      THR  86 -18.979   0.931 -12.937
  655   2HG2  THR  86          HG22      THR  86 -18.284   0.054 -11.561
  656   3HG2  THR  86          HG23      THR  86 -20.046   0.253 -11.704
  657    H    SER  87           H        SER  87 -16.142   1.170 -12.557
  658    HA   SER  87           HA       SER  87 -16.597   2.589 -15.075
  659   1HB   SER  87          HB2       SER  87 -13.827   2.309 -13.816
  660   2HB   SER  87          HB3       SER  87 -14.109   2.672 -15.528
  661    HG   SER  87           HG       SER  87 -15.511   4.249 -13.751
  662    H    VAL  88           H        VAL  88 -15.920   1.186 -16.909
  663    HA   VAL  88           HA       VAL  88 -15.452  -1.655 -16.163
  664    HB   VAL  88           HB       VAL  88 -17.535  -0.657 -18.151
  665   1HG1  VAL  88          HG11      VAL  88 -18.276  -3.037 -18.183
  666   2HG1  VAL  88          HG12      VAL  88 -16.632  -2.850 -18.793
  667   3HG1  VAL  88          HG13      VAL  88 -16.898  -3.469 -17.147
  668   1HG2  VAL  88          HG21      VAL  88 -18.366  -0.209 -15.885
  669   2HG2  VAL  88          HG22      VAL  88 -19.231  -1.576 -16.581
  670   3HG2  VAL  88          HG23      VAL  88 -17.951  -1.866 -15.386
  671    H    GLY  89           H        GLY  89 -14.169  -2.756 -17.618
  672   1HA   GLY  89          HA2       GLY  89 -12.942  -3.153 -19.556
  673   2HA   GLY  89          HA3       GLY  89 -13.392  -1.572 -20.201
  674    H    PHE  90           H        PHE  90 -10.932  -1.998 -20.661
  675    HA   PHE  90           HA       PHE  90  -8.971  -1.534 -18.635
  676   1HB   PHE  90          HB2       PHE  90  -8.496  -2.553 -20.826
  677   2HB   PHE  90          HB3       PHE  90  -8.949  -1.063 -21.642
  678    HD1  PHE  90           HD1      PHE  90  -7.434   0.860 -21.721
  679    HD2  PHE  90           HD2      PHE  90  -6.365  -2.724 -19.563
  680    HE1  PHE  90           HE1      PHE  90  -5.093   1.661 -21.548
  681    HE2  PHE  90           HE2      PHE  90  -4.019  -1.917 -19.409
  682    HZ   PHE  90           HZ       PHE  90  -3.383   0.274 -20.389
  683    H    LYS  91           H        LYS  91  -7.784   0.389 -18.166
  684    HA   LYS  91           HA       LYS  91  -8.620   2.916 -19.347
  685   1HB   LYS  91          HB2       LYS  91  -8.927   2.271 -16.404
  686   2HB   LYS  91          HB3       LYS  91  -8.252   3.844 -16.835
  687   1HG   LYS  91          HG2       LYS  91 -10.176   4.331 -18.279
  688   2HG   LYS  91          HG3       LYS  91 -10.925   2.785 -17.818
  689   1HD   LYS  91          HD2       LYS  91 -10.921   3.503 -15.437
  690   2HD   LYS  91          HD3       LYS  91 -10.220   5.059 -15.890
  691   1HE   LYS  91          HE2       LYS  91 -12.904   3.985 -16.882
  692   2HE   LYS  91          HE3       LYS  91 -12.717   5.075 -15.507
  693   1HZ   LYS  91          HZ1       LYS  91 -11.791   6.733 -17.020
  694   2HZ   LYS  91          HZ2       LYS  91 -11.981   5.730 -18.304
  695   3HZ   LYS  91          HZ3       LYS  91 -13.280   6.287 -17.498
  696    HA   PRO  92           HA       PRO  92  -4.147   3.152 -19.056
  697   1HB   PRO  92          HB2       PRO  92  -3.710   5.773 -19.658
  698   2HB   PRO  92          HB3       PRO  92  -4.321   4.604 -20.872
  699   1HG   PRO  92          HG2       PRO  92  -5.923   6.569 -19.220
  700   2HG   PRO  92          HG3       PRO  92  -6.006   6.284 -20.988
  701   1HD   PRO  92          HD2       PRO  92  -7.734   5.100 -19.213
  702   2HD   PRO  92          HD3       PRO  92  -7.189   4.275 -20.705
  703    H    LYS  93           H        LYS  93  -2.485   4.169 -17.692
  704    HA   LYS  93           HA       LYS  93  -3.185   4.304 -14.981
  705   1HB   LYS  93          HB2       LYS  93  -0.865   3.866 -15.852
  706   2HB   LYS  93          HB3       LYS  93  -0.749   5.564 -16.335
  707   1HG   LYS  93          HG2       LYS  93  -1.150   6.165 -13.873
  708   2HG   LYS  93          HG3       LYS  93  -0.968   4.441 -13.517
  709   1HD   LYS  93          HD2       LYS  93   1.328   4.495 -14.427
  710   2HD   LYS  93          HD3       LYS  93   1.110   6.184 -14.932
  711   1HE   LYS  93          HE2       LYS  93   0.741   6.894 -12.625
  712   2HE   LYS  93          HE3       LYS  93   0.849   5.222 -12.051
  713   1HZ   LYS  93          HZ1       LYS  93   3.082   6.663 -13.351
  714   2HZ   LYS  93          HZ2       LYS  93   2.899   6.507 -11.733
  715   3HZ   LYS  93          HZ3       LYS  93   3.150   5.160 -12.678
  716    H    GLU  94           H        GLU  94  -2.598   7.073 -17.247
  717    HA   GLU  94           HA       GLU  94  -2.622   8.971 -15.220
  718   1HB   GLU  94          HB2       GLU  94  -1.715   9.202 -17.556
  719   2HB   GLU  94          HB3       GLU  94  -3.375   9.367 -18.153
  720   1HG   GLU  94          HG2       GLU  94  -3.673  11.383 -16.748
  721   2HG   GLU  94          HG3       GLU  94  -2.048  11.165 -16.087
  722    H    ALA  95           H        ALA  95  -5.318   7.850 -17.241
  723    HA   ALA  95           HA       ALA  95  -7.261   9.672 -16.217
  724   1HB   ALA  95          HB1       ALA  95  -7.548   6.874 -17.389
  725   2HB   ALA  95          HB2       ALA  95  -8.857   8.069 -17.229
  726   3HB   ALA  95          HB3       ALA  95  -7.494   8.392 -18.328
  727    H    LEU  96           H        LEU  96  -6.284   6.337 -15.287
  728    HA   LEU  96           HA       LEU  96  -8.341   6.027 -13.348
  729   1HB   LEU  96          HB2       LEU  96  -7.188   4.154 -14.423
  730   2HB   LEU  96          HB3       LEU  96  -5.657   4.634 -13.691
  731    HG   LEU  96           HG       LEU  96  -6.511   4.128 -11.453
  732   1HD1  LEU  96          HD11      LEU  96  -8.709   2.977 -11.159
  733   2HD1  LEU  96          HD12      LEU  96  -8.882   4.661 -11.630
  734   3HD1  LEU  96          HD13      LEU  96  -9.120   3.382 -12.843
  735   1HD2  LEU  96          HD21      LEU  96  -5.480   2.335 -12.843
  736   2HD2  LEU  96          HD22      LEU  96  -6.670   1.690 -11.709
  737   3HD2  LEU  96          HD23      LEU  96  -7.090   1.867 -13.426
  738    H    GLN  97           H        GLN  97  -4.907   7.184 -13.099
  739    HA   GLN  97           HA       GLN  97  -5.173   7.441 -10.244
  740   1HB   GLN  97          HB2       GLN  97  -3.055   8.416 -10.142
  741   2HB   GLN  97          HB3       GLN  97  -2.998   7.101 -11.294
  742   1HG   GLN  97          HG2       GLN  97  -1.682   8.798 -12.232
  743   2HG   GLN  97          HG3       GLN  97  -3.186   8.807 -13.133
  744   1HE2  GLN  97          HE22      GLN  97  -3.884  10.870 -13.597
  745   2HE2  GLN  97          HE21      GLN  97  -3.555  12.283 -12.613
  746    H    GLU  98           H        GLU  98  -5.855   9.614 -13.007
  747    HA   GLU  98           HA       GLU  98  -6.277  11.975 -11.488
  748   1HB   GLU  98          HB2       GLU  98  -6.137  11.955 -13.941
  749   2HB   GLU  98          HB3       GLU  98  -7.634  11.020 -14.045
  750   1HG   GLU  98          HG2       GLU  98  -8.828  12.892 -12.893
  751   2HG   GLU  98          HG3       GLU  98  -7.338  13.838 -12.935
  752    H    LEU  99           H        LEU  99  -8.450   9.288 -12.380
  753    HA   LEU  99           HA       LEU  99 -10.769  10.201 -11.046
  754   1HB   LEU  99          HB2       LEU  99 -10.736   8.341 -12.669
  755   2HB   LEU  99          HB3       LEU  99  -9.819   7.352 -11.536
  756    HG   LEU  99           HG       LEU  99 -11.721   7.388  -9.936
  757   1HD1  LEU  99          HD11      LEU  99 -13.180   8.853 -12.186
  758   2HD1  LEU  99          HD12      LEU  99 -13.948   8.139 -10.754
  759   3HD1  LEU  99          HD13      LEU  99 -12.834   9.491 -10.563
  760   1HD2  LEU  99          HD21      LEU  99 -13.171   5.874 -11.239
  761   2HD2  LEU  99          HD22      LEU  99 -12.414   6.430 -12.746
  762   3HD2  LEU  99          HD23      LEU  99 -11.460   5.542 -11.539
  763    H    VAL 100           H        VAL 100  -7.973   8.296  -9.768
  764    HA   VAL 100           HA       VAL 100  -9.083   8.018  -7.153
  765    HB   VAL 100           HB       VAL 100  -6.229   7.926  -8.182
  766   1HG1  VAL 100          HG11      VAL 100  -6.062   8.623  -5.844
  767   2HG1  VAL 100          HG12      VAL 100  -7.185   7.335  -5.350
  768   3HG1  VAL 100          HG13      VAL 100  -5.580   6.951  -6.015
  769   1HG2  VAL 100          HG21      VAL 100  -8.123   5.766  -7.147
  770   2HG2  VAL 100          HG22      VAL 100  -7.777   6.075  -8.855
  771   3HG2  VAL 100          HG23      VAL 100  -6.487   5.514  -7.790
  772    H    ASN 101           H        ASN 101  -6.901  10.608  -8.475
  773    HA   ASN 101           HA       ASN 101  -6.723  12.078  -6.036
  774   1HB   ASN 101          HB2       ASN 101  -6.869  13.289  -8.844
  775   2HB   ASN 101          HB3       ASN 101  -6.445  14.160  -7.389
  776   1HD2  ASN 101          HD22      ASN 101  -5.431  11.565  -9.511
  777   2HD2  ASN 101          HD21      ASN 101  -3.703  11.815  -9.331
  778    H    LYS 102           H        LYS 102  -9.079  12.126  -8.633
  779    HA   LYS 102           HA       LYS 102 -10.674  14.291  -7.688
  780   1HB   LYS 102          HB2       LYS 102 -11.226  11.979  -9.572
  781   2HB   LYS 102          HB3       LYS 102 -12.508  13.108  -9.137
  782   1HG   LYS 102          HG2       LYS 102 -11.234  15.010  -9.934
  783   2HG   LYS 102          HG3       LYS 102  -9.836  13.991 -10.307
  784   1HD   LYS 102          HD2       LYS 102 -11.060  12.821 -12.048
  785   2HD   LYS 102          HD3       LYS 102 -12.580  13.623 -11.590
  786   1HE   LYS 102          HE2       LYS 102 -11.700  15.806 -12.207
  787   2HE   LYS 102          HE3       LYS 102 -10.102  15.129 -12.540
  788   1HZ   LYS 102          HZ1       LYS 102 -11.527  15.533 -14.521
  789   2HZ   LYS 102          HZ2       LYS 102 -10.930  14.022 -14.439
  790   3HZ   LYS 102          HZ3       LYS 102 -12.513  14.323 -14.056
  791    H    HIS 103           H        HIS 103 -10.432  11.145  -6.277
  792    HA   HIS 103           HA       HIS 103 -12.912  11.746  -4.700
  793   1HB   HIS 103          HB2       HIS 103 -11.923   9.111  -5.809
  794   2HB   HIS 103          HB3       HIS 103 -13.011   9.191  -4.426
  795    HD1  HIS 103           HD1      HIS 103 -15.540   9.960  -4.878
  796    HD2  HIS 103           HD2      HIS 103 -12.973  10.023  -8.209
  797    HE1  HIS 103           HE1      HIS 103 -17.020  10.325  -6.917
  798    H    LEU 104           H        LEU 104  -9.469  11.062  -4.422
  799    HA   LEU 104           HA       LEU 104  -9.686  10.156  -1.711
  800   1HB   LEU 104          HB2       LEU 104  -7.494   9.775  -1.744
  801   2HB   LEU 104          HB3       LEU 104  -7.816   9.752  -3.463
  802    HG   LEU 104           HG       LEU 104  -7.086  12.283  -3.384
  803   1HD1  LEU 104          HD11      LEU 104  -5.717  11.108  -0.890
  804   2HD1  LEU 104          HD12      LEU 104  -5.368  12.698  -1.612
  805   3HD1  LEU 104          HD13      LEU 104  -6.927  12.386  -0.843
  806   1HD2  LEU 104          HD21      LEU 104  -4.722  11.541  -3.692
  807   2HD2  LEU 104          HD22      LEU 104  -5.150   9.947  -3.022
  808   3HD2  LEU 104          HD23      LEU 104  -5.868  10.502  -4.544
  Start of MODEL   20
    1   1H    MET   1          H1        MET   1   4.267  -2.230   0.616
    2   2H    MET   1          H2        MET   1   3.396  -1.101   1.429
    3   3H    MET   1          H3        MET   1   2.760  -2.582   1.139
    4    HA   MET   1           HA       MET   1   1.784  -0.979  -0.339
    5   1HB   MET   1          HB2       MET   1   3.638   0.606  -0.356
    6   2HB   MET   1          HB3       MET   1   4.661  -0.530  -1.239
    7   1HG   MET   1          HG2       MET   1   3.184  -0.409  -3.182
    8   2HG   MET   1          HG3       MET   1   2.054   0.631  -2.312
    9   1HE   MET   1          HE1       MET   1   3.601   4.095  -2.353
   10   2HE   MET   1          HE2       MET   1   2.106   3.138  -2.400
   11   3HE   MET   1          HE3       MET   1   3.233   2.962  -1.034
   12    H    ALA   2           H        ALA   2   0.704  -2.826  -0.975
   13    HA   ALA   2           HA       ALA   2   1.479  -4.022  -3.465
   14   1HB   ALA   2          HB1       ALA   2   1.317  -6.376  -2.666
   15   2HB   ALA   2          HB2       ALA   2   2.714  -5.574  -1.931
   16   3HB   ALA   2          HB3       ALA   2   1.225  -5.814  -0.985
   17    H    ILE   3           H        ILE   3  -0.329  -5.246  -4.304
   18    HA   ILE   3           HA       ILE   3  -2.875  -4.068  -3.591
   19    HB   ILE   3           HB       ILE   3  -1.922  -6.130  -5.629
   20   1HG1  ILE   3          HG12      ILE   3  -2.765  -3.206  -5.869
   21   2HG1  ILE   3          HG13      ILE   3  -1.108  -3.795  -5.891
   22   1HG2  ILE   3          HG21      ILE   3  -4.297  -6.616  -5.195
   23   2HG2  ILE   3          HG22      ILE   3  -4.714  -4.904  -5.422
   24   3HG2  ILE   3          HG23      ILE   3  -4.118  -5.890  -6.776
   25   1HD1  ILE   3          HD11      ILE   3  -1.618  -5.099  -7.945
   26   2HD1  ILE   3          HD12      ILE   3  -3.205  -4.259  -8.010
   27   3HD1  ILE   3          HD13      ILE   3  -1.704  -3.333  -8.104
   28    H    VAL   4           H        VAL   4  -4.736  -5.266  -2.914
   29    HA   VAL   4           HA       VAL   4  -4.090  -7.522  -1.079
   30    HB   VAL   4           HB       VAL   4  -6.178  -5.313  -0.887
   31   1HG1  VAL   4          HG11      VAL   4  -5.425  -7.435   1.160
   32   2HG1  VAL   4          HG12      VAL   4  -6.440  -6.011   1.481
   33   3HG1  VAL   4          HG13      VAL   4  -7.007  -7.226   0.356
   34   1HG2  VAL   4          HG21      VAL   4  -3.499  -5.680   0.531
   35   2HG2  VAL   4          HG22      VAL   4  -3.972  -4.337  -0.534
   36   3HG2  VAL   4          HG23      VAL   4  -4.727  -4.514   1.043
   37    H    LYS   5           H        LYS   5  -6.197  -8.869  -0.692
   38    HA   LYS   5           HA       LYS   5  -7.744  -9.262  -3.188
   39   1HB   LYS   5          HB2       LYS   5  -6.175 -11.499  -1.794
   40   2HB   LYS   5          HB3       LYS   5  -7.301 -11.669  -3.135
   41   1HG   LYS   5          HG2       LYS   5  -5.358 -11.722  -4.318
   42   2HG   LYS   5          HG3       LYS   5  -5.661  -9.990  -4.364
   43   1HD   LYS   5          HD2       LYS   5  -4.091  -9.823  -2.302
   44   2HD   LYS   5          HD3       LYS   5  -3.684 -11.512  -2.617
   45   1HE   LYS   5          HE2       LYS   5  -2.894 -10.949  -4.863
   46   2HE   LYS   5          HE3       LYS   5  -3.476  -9.285  -4.695
   47   1HZ   LYS   5          HZ1       LYS   5  -1.826  -8.869  -3.033
   48   2HZ   LYS   5          HZ2       LYS   5  -1.340 -10.446  -3.002
   49   3HZ   LYS   5          HZ3       LYS   5  -1.069  -9.529  -4.320
   50    H    ALA   6           H        ALA   6  -9.837  -9.931  -2.688
   51    HA   ALA   6           HA       ALA   6 -10.426 -10.917   0.019
   52   1HB   ALA   6          HB1       ALA   6 -12.067  -9.151   0.499
   53   2HB   ALA   6          HB2       ALA   6 -10.467  -8.430   0.258
   54   3HB   ALA   6          HB3       ALA   6 -11.680  -8.352  -1.037
   55    H    THR   7           H        THR   7 -12.906 -11.269   0.213
   56    HA   THR   7           HA       THR   7 -14.095 -12.205  -2.324
   57    HB   THR   7           HB       THR   7 -14.678 -14.320  -1.024
   58    HG1  THR   7           HG1      THR   7 -13.343 -14.750   0.793
   59   1HG2  THR   7          HG21      THR   7 -12.778 -14.266  -2.672
   60   2HG2  THR   7          HG22      THR   7 -11.667 -13.924  -1.328
   61   3HG2  THR   7          HG23      THR   7 -12.571 -15.451  -1.374
   62    H    ASP   8           H        ASP   8 -16.483 -12.857  -1.750
   63    HA   ASP   8           HA       ASP   8 -17.972 -10.755  -0.730
   64   1HB   ASP   8          HB2       ASP   8 -18.782 -12.823  -2.014
   65   2HB   ASP   8          HB3       ASP   8 -18.742 -13.695  -0.491
   66    H    GLN   9           H        GLN   9 -16.317 -13.232   1.058
   67    HA   GLN   9           HA       GLN   9 -17.790 -13.170   3.487
   68   1HB   GLN   9          HB2       GLN   9 -14.860 -13.888   3.179
   69   2HB   GLN   9          HB3       GLN   9 -16.009 -14.498   4.367
   70   1HG   GLN   9          HG2       GLN   9 -15.799 -15.174   1.413
   71   2HG   GLN   9          HG3       GLN   9 -15.593 -16.252   2.776
   72   1HE2  GLN   9          HE22      GLN   9 -17.530 -16.139   0.297
   73   2HE2  GLN   9          HE21      GLN   9 -19.089 -16.423   1.008
   74    H    SER  10           H        SER  10 -15.100 -11.166   2.267
   75    HA   SER  10           HA       SER  10 -15.265  -9.517   4.753
   76   1HB   SER  10          HB2       SER  10 -12.655 -10.514   3.535
   77   2HB   SER  10          HB3       SER  10 -12.853  -9.596   5.035
   78    HG   SER  10           HG       SER  10 -12.534 -11.831   5.411
   79    H    PHE  11           H        PHE  11 -15.197  -9.402   1.367
   80    HA   PHE  11           HA       PHE  11 -13.631  -7.178   0.775
   81   1HB   PHE  11          HB2       PHE  11 -14.772  -8.624  -0.851
   82   2HB   PHE  11          HB3       PHE  11 -16.338  -8.010  -0.339
   83    HD1  PHE  11           HD1      PHE  11 -17.135  -5.812  -1.127
   84    HD2  PHE  11           HD2      PHE  11 -13.210  -7.267  -2.176
   85    HE1  PHE  11           HE1      PHE  11 -16.959  -4.101  -2.915
   86    HE2  PHE  11           HE2      PHE  11 -13.041  -5.557  -3.939
   87    HZ   PHE  11           HZ       PHE  11 -14.948  -3.981  -4.338
   88    H    SER  12           H        SER  12 -16.880  -7.267   2.299
   89    HA   SER  12           HA       SER  12 -17.378  -4.491   2.020
   90   1HB   SER  12          HB2       SER  12 -18.419  -6.308   4.225
   91   2HB   SER  12          HB3       SER  12 -19.222  -4.892   3.528
   92    HG   SER  12           HG       SER  12 -19.894  -7.089   2.829
   93    H    ALA  13           H        ALA  13 -15.777  -6.369   4.599
   94    HA   ALA  13           HA       ALA  13 -15.474  -4.132   6.386
   95   1HB   ALA  13          HB1       ALA  13 -13.869  -5.603   7.554
   96   2HB   ALA  13          HB2       ALA  13 -15.375  -6.467   7.191
   97   3HB   ALA  13          HB3       ALA  13 -13.920  -6.757   6.207
   98    H    GLU  14           H        GLU  14 -13.451  -5.719   3.889
   99    HA   GLU  14           HA       GLU  14 -11.106  -4.212   4.316
  100   1HB   GLU  14          HB2       GLU  14 -12.218  -5.694   1.903
  101   2HB   GLU  14          HB3       GLU  14 -10.655  -4.895   1.839
  102   1HG   GLU  14          HG2       GLU  14 -11.427  -7.002   3.894
  103   2HG   GLU  14          HG3       GLU  14 -10.557  -7.340   2.397
  104    H    THR  15           H        THR  15 -13.957  -3.500   2.234
  105    HA   THR  15           HA       THR  15 -12.641  -1.171   1.148
  106    HB   THR  15           HB       THR  15 -14.885  -0.837   0.051
  107    HG1  THR  15           HG1      THR  15 -15.382  -3.464   0.984
  108   1HG2  THR  15          HG21      THR  15 -14.593  -2.791  -1.468
  109   2HG2  THR  15          HG22      THR  15 -13.082  -1.941  -1.137
  110   3HG2  THR  15          HG23      THR  15 -13.417  -3.488  -0.338
  111    H    SER  16           H        SER  16 -13.698  -1.567   4.200
  112    HA   SER  16           HA       SER  16 -14.997   1.106   4.392
  113   1HB   SER  16          HB2       SER  16 -15.521  -1.391   6.035
  114   2HB   SER  16          HB3       SER  16 -16.305   0.188   6.239
  115    HG   SER  16           HG       SER  16 -16.623  -1.747   4.272
  116    H    GLU  17           H        GLU  17 -12.145   0.765   4.515
  117    HA   GLU  17           HA       GLU  17 -11.789   2.051   7.159
  118   1HB   GLU  17          HB2       GLU  17  -9.732   0.771   7.604
  119   2HB   GLU  17          HB3       GLU  17 -11.180  -0.231   7.597
  120   1HG   GLU  17          HG2       GLU  17 -10.650  -1.194   5.471
  121   2HG   GLU  17          HG3       GLU  17  -9.409   0.017   5.142
  122    H    GLY  18           H        GLY  18 -11.687   2.760   4.035
  123   1HA   GLY  18          HA2       GLY  18 -10.015   4.969   4.260
  124   2HA   GLY  18          HA3       GLY  18  -9.012   3.664   3.553
  125    H    VAL  19           H        VAL  19  -8.911   5.223   1.740
  126    HA   VAL  19           HA       VAL  19 -11.282   5.208  -0.022
  127    HB   VAL  19           HB       VAL  19  -8.485   6.002  -0.825
  128   1HG1  VAL  19          HG11      VAL  19  -9.683   7.515  -2.346
  129   2HG1  VAL  19          HG12      VAL  19 -10.470   5.932  -2.457
  130   3HG1  VAL  19          HG13      VAL  19 -11.217   7.216  -1.507
  131   1HG2  VAL  19          HG21      VAL  19  -8.649   7.305   1.191
  132   2HG2  VAL  19          HG22      VAL  19  -8.938   8.377  -0.174
  133   3HG2  VAL  19          HG23      VAL  19 -10.307   7.805   0.799
  134    H    VAL  20           H        VAL  20 -11.549   3.370  -1.334
  135    HA   VAL  20           HA       VAL  20  -9.229   1.537  -1.617
  136    HB   VAL  20           HB       VAL  20 -11.993   0.648  -0.697
  137   1HG1  VAL  20          HG11      VAL  20  -9.332  -0.817  -1.045
  138   2HG1  VAL  20          HG12      VAL  20 -10.790  -1.524  -0.319
  139   3HG1  VAL  20          HG13      VAL  20 -10.791  -1.049  -2.020
  140   1HG2  VAL  20          HG21      VAL  20 -10.760   0.015   1.447
  141   2HG2  VAL  20          HG22      VAL  20  -9.426   1.046   0.900
  142   3HG2  VAL  20          HG23      VAL  20 -11.035   1.730   1.204
  143    H    LEU  21           H        LEU  21  -8.944   1.072  -3.624
  144    HA   LEU  21           HA       LEU  21 -11.130   1.277  -5.635
  145   1HB   LEU  21          HB2       LEU  21  -9.037   2.347  -6.292
  146   2HB   LEU  21          HB3       LEU  21  -8.100   0.965  -5.732
  147    HG   LEU  21           HG       LEU  21  -8.971  -0.403  -7.610
  148   1HD1  LEU  21          HD11      LEU  21 -11.124   0.766  -8.053
  149   2HD1  LEU  21          HD12      LEU  21 -10.222   2.205  -8.584
  150   3HD1  LEU  21          HD13      LEU  21 -10.113   0.685  -9.494
  151   1HD2  LEU  21          HD21      LEU  21  -7.704   2.257  -8.406
  152   2HD2  LEU  21          HD22      LEU  21  -6.849   0.814  -7.828
  153   3HD2  LEU  21          HD23      LEU  21  -7.698   0.773  -9.378
  154    H    ALA  22           H        ALA  22 -11.747  -0.676  -6.665
  155    HA   ALA  22           HA       ALA  22 -10.541  -3.213  -5.735
  156   1HB   ALA  22          HB1       ALA  22 -12.569  -2.925  -4.409
  157   2HB   ALA  22          HB2       ALA  22 -13.498  -2.472  -5.850
  158   3HB   ALA  22          HB3       ALA  22 -12.883  -4.128  -5.688
  159    H    ASP  23           H        ASP  23 -10.800  -4.880  -7.292
  160    HA   ASP  23           HA       ASP  23 -11.480  -4.033 -10.084
  161   1HB   ASP  23          HB2       ASP  23  -9.107  -3.819  -9.919
  162   2HB   ASP  23          HB3       ASP  23  -8.957  -5.331  -9.030
  163    H    PHE  24           H        PHE  24 -13.283  -5.222 -10.280
  164    HA   PHE  24           HA       PHE  24 -13.543  -8.006  -9.411
  165   1HB   PHE  24          HB2       PHE  24 -15.359  -6.029 -10.814
  166   2HB   PHE  24          HB3       PHE  24 -15.679  -7.741 -10.861
  167    HD1  PHE  24           HD1      PHE  24 -16.031  -9.057  -8.741
  168    HD2  PHE  24           HD2      PHE  24 -15.793  -4.749  -8.757
  169    HE1  PHE  24           HE1      PHE  24 -17.097  -8.996  -6.513
  170    HE2  PHE  24           HE2      PHE  24 -16.831  -4.699  -6.496
  171    HZ   PHE  24           HZ       PHE  24 -17.460  -6.824  -5.368
  172    H    TRP  25           H        TRP  25 -12.589  -9.547 -10.595
  173    HA   TRP  25           HA       TRP  25 -12.196  -9.170 -13.521
  174   1HB   TRP  25          HB2       TRP  25  -9.869  -9.419 -13.382
  175   2HB   TRP  25          HB3       TRP  25 -10.246  -8.232 -12.157
  176    HD1  TRP  25           HD1      TRP  25 -10.484  -9.453  -9.572
  177    HE1  TRP  25           HE1      TRP  25  -9.003 -11.234  -8.488
  178    HE3  TRP  25           HE3      TRP  25  -8.122 -11.181 -13.772
  179    HZ2  TRP  25           HZ2      TRP  25  -6.968 -13.116  -9.329
  180    HZ3  TRP  25           HZ3      TRP  25  -6.366 -12.917 -13.587
  181    HH2  TRP  25           HH2      TRP  25  -5.798 -13.910 -11.384
  182    H    ALA  26           H        ALA  26 -10.893 -11.239 -14.323
  183    HA   ALA  26           HA       ALA  26 -11.034 -13.622 -12.781
  184   1HB   ALA  26          HB1       ALA  26 -12.695 -13.609 -15.335
  185   2HB   ALA  26          HB2       ALA  26 -12.455 -14.968 -14.231
  186   3HB   ALA  26          HB3       ALA  26 -13.407 -13.580 -13.699
  187    HA   PRO  27           HA       PRO  27  -7.498 -13.883 -15.285
  188   1HB   PRO  27          HB2       PRO  27  -6.757 -16.514 -15.254
  189   2HB   PRO  27          HB3       PRO  27  -6.814 -15.511 -13.773
  190   1HG   PRO  27          HG2       PRO  27  -8.927 -17.430 -14.804
  191   2HG   PRO  27          HG3       PRO  27  -8.257 -17.307 -13.145
  192   1HD   PRO  27          HD2       PRO  27 -10.609 -16.113 -13.899
  193   2HD   PRO  27          HD3       PRO  27  -9.515 -15.371 -12.683
  194    H    TRP  28           H        TRP  28 -10.258 -15.672 -16.542
  195    HA   TRP  28           HA       TRP  28  -8.930 -16.368 -19.044
  196   1HB   TRP  28          HB2       TRP  28 -11.308 -17.028 -19.665
  197   2HB   TRP  28          HB3       TRP  28 -10.509 -17.898 -18.377
  198    HD1  TRP  28           HD1      TRP  28 -12.502 -14.604 -17.944
  199    HE1  TRP  28           HE1      TRP  28 -14.477 -15.019 -16.390
  200    HE3  TRP  28           HE3      TRP  28 -11.870 -19.629 -17.174
  201    HZ2  TRP  28           HZ2      TRP  28 -15.588 -17.231 -14.883
  202    HZ3  TRP  28           HZ3      TRP  28 -13.387 -20.857 -15.644
  203    HH2  TRP  28           HH2      TRP  28 -15.245 -19.671 -14.492
  204    H    CYS  29           H        CYS  29 -10.137 -13.415 -17.810
  205    HA   CYS  29           HA       CYS  29 -11.120 -12.454 -20.423
  206   1HB   CYS  29          HB2       CYS  29 -12.392 -11.837 -18.431
  207   2HB   CYS  29          HB3       CYS  29 -10.936 -11.153 -17.682
  208    HG   CYS  29           HG       CYS  29 -12.807  -9.374 -18.679
  209    H    GLY  30           H        GLY  30  -9.608 -11.683 -21.837
  210   1HA   GLY  30          HA2       GLY  30  -6.860 -11.310 -21.344
  211   2HA   GLY  30          HA3       GLY  30  -7.769 -10.636 -22.702
  212    HA   PRO  31           HA       PRO  31  -7.724  -6.520 -21.146
  213   1HB   PRO  31          HB2       PRO  31 -10.619  -6.698 -20.307
  214   2HB   PRO  31          HB3       PRO  31  -9.768  -5.331 -21.098
  215   1HG   PRO  31          HG2       PRO  31 -11.224  -7.054 -22.584
  216   2HG   PRO  31          HG3       PRO  31  -9.592  -6.569 -23.151
  217   1HD   PRO  31          HD2       PRO  31 -10.428  -9.129 -21.797
  218   2HD   PRO  31          HD3       PRO  31  -9.273  -8.880 -23.135
  219    H    CYS  32           H        CYS  32  -9.219  -8.718 -18.700
  220    HA   CYS  32           HA       CYS  32  -8.638  -7.093 -16.411
  221   1HB   CYS  32          HB2       CYS  32  -8.739 -10.137 -16.700
  222   2HB   CYS  32          HB3       CYS  32  -8.560  -9.268 -15.178
  223    HG   CYS  32           HG       CYS  32 -10.997  -8.886 -17.390
  224    H    LYS  33           H        LYS  33  -6.631  -9.427 -18.252
  225    HA   LYS  33           HA       LYS  33  -4.353  -9.120 -16.439
  226   1HB   LYS  33          HB2       LYS  33  -4.655 -10.404 -19.184
  227   2HB   LYS  33          HB3       LYS  33  -3.166 -10.429 -18.231
  228   1HG   LYS  33          HG2       LYS  33  -4.217 -11.625 -16.413
  229   2HG   LYS  33          HG3       LYS  33  -5.818 -11.487 -17.136
  230   1HD   LYS  33          HD2       LYS  33  -3.518 -13.079 -18.336
  231   2HD   LYS  33          HD3       LYS  33  -4.855 -13.726 -17.368
  232   1HE   LYS  33          HE2       LYS  33  -6.429 -12.612 -19.097
  233   2HE   LYS  33          HE3       LYS  33  -4.995 -12.442 -20.124
  234   1HZ   LYS  33          HZ1       LYS  33  -6.143 -14.953 -19.063
  235   2HZ   LYS  33          HZ2       LYS  33  -6.143 -14.488 -20.634
  236   3HZ   LYS  33          HZ3       LYS  33  -4.734 -14.897 -19.917
  237    H    MET  34           H        MET  34  -5.489  -7.578 -19.459
  238    HA   MET  34           HA       MET  34  -3.075  -6.151 -19.987
  239   1HB   MET  34          HB2       MET  34  -5.947  -5.371 -20.626
  240   2HB   MET  34          HB3       MET  34  -4.510  -4.580 -21.263
  241   1HG   MET  34          HG2       MET  34  -3.807  -6.574 -22.428
  242   2HG   MET  34          HG3       MET  34  -5.064  -7.537 -21.665
  243   1HE   MET  34          HE1       MET  34  -5.866  -4.347 -24.947
  244   2HE   MET  34          HE2       MET  34  -5.473  -3.867 -23.286
  245   3HE   MET  34          HE3       MET  34  -4.264  -4.719 -24.276
  246    H    ILE  35           H        ILE  35  -5.929  -5.286 -17.906
  247    HA   ILE  35           HA       ILE  35  -4.681  -2.739 -17.265
  248    HB   ILE  35           HB       ILE  35  -7.136  -3.094 -17.489
  249   1HG1  ILE  35          HG12      ILE  35  -6.177  -1.798 -14.911
  250   2HG1  ILE  35          HG13      ILE  35  -6.127  -1.083 -16.524
  251   1HG2  ILE  35          HG21      ILE  35  -7.346  -5.191 -16.199
  252   2HG2  ILE  35          HG22      ILE  35  -7.004  -4.304 -14.700
  253   3HG2  ILE  35          HG23      ILE  35  -8.462  -3.954 -15.652
  254   1HD1  ILE  35          HD11      ILE  35  -8.647  -1.254 -16.598
  255   2HD1  ILE  35          HD12      ILE  35  -8.597  -1.780 -14.898
  256   3HD1  ILE  35          HD13      ILE  35  -8.007  -0.174 -15.345
  257    H    ALA  36           H        ALA  36  -4.289  -5.944 -15.978
  258    HA   ALA  36           HA       ALA  36  -3.803  -5.464 -13.311
  259   1HB   ALA  36          HB1       ALA  36  -2.256  -7.383 -15.090
  260   2HB   ALA  36          HB2       ALA  36  -2.361  -7.438 -13.323
  261   3HB   ALA  36          HB3       ALA  36  -3.817  -7.699 -14.302
  262    HA   PRO  37           HA       PRO  37   0.720  -4.074 -13.910
  263   1HB   PRO  37          HB2       PRO  37   1.501  -2.931 -16.313
  264   2HB   PRO  37          HB3       PRO  37   1.761  -4.642 -15.856
  265   1HG   PRO  37          HG2       PRO  37  -0.492  -3.475 -17.518
  266   2HG   PRO  37          HG3       PRO  37   0.514  -4.919 -17.870
  267   1HD   PRO  37          HD2       PRO  37  -1.923  -5.194 -16.778
  268   2HD   PRO  37          HD3       PRO  37  -0.573  -6.195 -16.191
  269    H    VAL  38           H        VAL  38  -1.969  -2.369 -15.552
  270    HA   VAL  38           HA       VAL  38  -1.029   0.267 -14.918
  271    HB   VAL  38           HB       VAL  38  -3.913  -0.600 -15.381
  272   1HG1  VAL  38          HG11      VAL  38  -2.470   2.033 -15.831
  273   2HG1  VAL  38          HG12      VAL  38  -4.182   1.708 -16.183
  274   3HG1  VAL  38          HG13      VAL  38  -3.613   1.694 -14.515
  275   1HG2  VAL  38          HG21      VAL  38  -1.812   0.159 -17.461
  276   2HG2  VAL  38          HG22      VAL  38  -2.618  -1.417 -17.311
  277   3HG2  VAL  38          HG23      VAL  38  -3.555   0.006 -17.769
  278    H    LEU  39           H        LEU  39  -3.142  -2.163 -13.308
  279    HA   LEU  39           HA       LEU  39  -3.757  -0.527 -11.057
  280   1HB   LEU  39          HB2       LEU  39  -3.779  -3.527 -11.493
  281   2HB   LEU  39          HB3       LEU  39  -4.270  -2.795  -9.970
  282    HG   LEU  39           HG       LEU  39  -5.534  -1.941 -12.606
  283   1HD1  LEU  39          HD11      LEU  39  -6.465  -4.156 -10.743
  284   2HD1  LEU  39          HD12      LEU  39  -7.374  -3.499 -12.124
  285   3HD1  LEU  39          HD13      LEU  39  -5.853  -4.349 -12.410
  286   1HD2  LEU  39          HD21      LEU  39  -5.893  -0.452 -10.637
  287   2HD2  LEU  39          HD22      LEU  39  -7.392  -1.227 -11.165
  288   3HD2  LEU  39          HD23      LEU  39  -6.542  -1.827  -9.724
  289    H    GLU  40           H        GLU  40  -1.021  -2.800 -11.710
  290    HA   GLU  40           HA       GLU  40   0.108  -2.467  -9.097
  291   1HB   GLU  40          HB2       GLU  40   1.466  -3.177 -11.718
  292   2HB   GLU  40          HB3       GLU  40   2.258  -3.150 -10.129
  293   1HG   GLU  40          HG2       GLU  40   0.647  -4.824  -9.276
  294   2HG   GLU  40          HG3       GLU  40  -0.124  -4.909 -10.858
  295    H    GLU  41           H        GLU  41   0.551  -0.559 -12.127
  296    HA   GLU  41           HA       GLU  41   2.425   1.266 -11.016
  297   1HB   GLU  41          HB2       GLU  41   0.442   1.343 -13.290
  298   2HB   GLU  41          HB3       GLU  41   1.099   2.868 -12.727
  299   1HG   GLU  41          HG2       GLU  41   2.774   0.486 -13.608
  300   2HG   GLU  41          HG3       GLU  41   2.370   1.872 -14.623
  301    H    LEU  42           H        LEU  42  -1.160   1.253 -10.940
  302    HA   LEU  42           HA       LEU  42  -1.427   3.690  -9.517
  303   1HB   LEU  42          HB2       LEU  42  -3.139   1.478 -10.373
  304   2HB   LEU  42          HB3       LEU  42  -3.544   1.931  -8.745
  305    HG   LEU  42           HG       LEU  42  -4.919   3.080 -10.355
  306   1HD1  LEU  42          HD11      LEU  42  -4.777   5.317  -9.493
  307   2HD1  LEU  42          HD12      LEU  42  -4.355   4.193  -8.195
  308   3HD1  LEU  42          HD13      LEU  42  -3.078   5.107  -9.027
  309   1HD2  LEU  42          HD21      LEU  42  -4.075   4.739 -11.924
  310   2HD2  LEU  42          HD22      LEU  42  -2.411   4.493 -11.374
  311   3HD2  LEU  42          HD23      LEU  42  -3.263   3.194 -12.226
  312    H    ASP  43           H        ASP  43  -0.847   0.368  -8.364
  313    HA   ASP  43           HA       ASP  43  -1.164   0.935  -5.572
  314   1HB   ASP  43          HB2       ASP  43  -1.205  -1.332  -6.081
  315   2HB   ASP  43          HB3       ASP  43   0.164  -1.243  -7.172
  316    H    GLN  44           H        GLN  44   1.691   0.945  -7.771
  317    HA   GLN  44           HA       GLN  44   3.531   1.744  -5.758
  318   1HB   GLN  44          HB2       GLN  44   3.543   2.012  -8.780
  319   2HB   GLN  44          HB3       GLN  44   4.941   2.399  -7.763
  320   1HG   GLN  44          HG2       GLN  44   3.614  -0.340  -8.011
  321   2HG   GLN  44          HG3       GLN  44   5.133   0.146  -8.733
  322   1HE2  GLN  44          HE22      GLN  44   3.603  -1.197  -5.895
  323   2HE2  GLN  44          HE21      GLN  44   5.056  -1.264  -4.926
  324    H    GLU  45           H        GLU  45   1.289   3.624  -7.725
  325    HA   GLU  45           HA       GLU  45   2.542   6.169  -7.071
  326   1HB   GLU  45          HB2       GLU  45   1.444   5.449  -9.275
  327   2HB   GLU  45          HB3       GLU  45  -0.108   5.588  -8.462
  328   1HG   GLU  45          HG2       GLU  45   0.231   7.598  -9.674
  329   2HG   GLU  45          HG3       GLU  45   0.484   8.024  -7.983
  330    H    MET  46           H        MET  46  -0.414   4.399  -6.088
  331    HA   MET  46           HA       MET  46  -1.136   6.613  -4.220
  332   1HB   MET  46          HB2       MET  46  -2.984   4.816  -5.826
  333   2HB   MET  46          HB3       MET  46  -3.468   6.119  -4.749
  334   1HG   MET  46          HG2       MET  46  -1.871   6.482  -7.314
  335   2HG   MET  46          HG3       MET  46  -3.596   6.730  -7.133
  336   1HE   MET  46          HE1       MET  46  -3.687   9.100  -8.082
  337   2HE   MET  46          HE2       MET  46  -2.572  10.405  -7.628
  338   3HE   MET  46          HE3       MET  46  -1.952   8.974  -8.476
  339    H    GLY  47           H        GLY  47  -0.284   3.292  -4.284
  340   1HA   GLY  47          HA2       GLY  47  -1.985   1.888  -2.704
  341   2HA   GLY  47          HA3       GLY  47  -0.249   1.702  -2.705
  342    H    ASP  48           H        ASP  48   0.053   4.491  -1.582
  343    HA   ASP  48           HA       ASP  48   0.294   3.638   1.173
  344   1HB   ASP  48          HB2       ASP  48   2.065   4.957   0.113
  345   2HB   ASP  48          HB3       ASP  48   0.929   6.266  -0.220
  346    H    LYS  49           H        LYS  49  -1.910   5.660  -0.696
  347    HA   LYS  49           HA       LYS  49  -3.388   6.372   1.736
  348   1HB   LYS  49          HB2       LYS  49  -3.900   8.493   0.716
  349   2HB   LYS  49          HB3       LYS  49  -2.165   8.262   0.918
  350   1HG   LYS  49          HG2       LYS  49  -3.405   7.679  -1.782
  351   2HG   LYS  49          HG3       LYS  49  -3.201   9.347  -1.247
  352   1HD   LYS  49          HD2       LYS  49  -0.726   8.800  -0.831
  353   2HD   LYS  49          HD3       LYS  49  -1.009   7.307  -1.751
  354   1HE   LYS  49          HE2       LYS  49  -1.917   8.731  -3.636
  355   2HE   LYS  49          HE3       LYS  49  -1.533  10.165  -2.690
  356   1HZ   LYS  49          HZ1       LYS  49   0.216   9.842  -4.203
  357   2HZ   LYS  49          HZ2       LYS  49   0.840   9.412  -2.764
  358   3HZ   LYS  49          HZ3       LYS  49   0.423   8.271  -3.883
  359    H    LEU  50           H        LEU  50  -3.546   4.562  -1.090
  360    HA   LEU  50           HA       LEU  50  -6.403   4.244  -0.648
  361   1HB   LEU  50          HB2       LEU  50  -6.694   5.685  -2.386
  362   2HB   LEU  50          HB3       LEU  50  -5.206   5.238  -3.211
  363    HG   LEU  50           HG       LEU  50  -7.104   2.975  -3.160
  364   1HD1  LEU  50          HD11      LEU  50  -8.825   4.590  -3.101
  365   2HD1  LEU  50          HD12      LEU  50  -8.083   5.550  -4.398
  366   3HD1  LEU  50          HD13      LEU  50  -8.741   3.935  -4.731
  367   1HD2  LEU  50          HD21      LEU  50  -6.639   2.934  -5.552
  368   2HD2  LEU  50          HD22      LEU  50  -5.833   4.508  -5.446
  369   3HD2  LEU  50          HD23      LEU  50  -5.139   3.095  -4.630
  370    H    LYS  51           H        LYS  51  -6.832   2.171  -0.482
  371    HA   LYS  51           HA       LYS  51  -4.711   0.178  -1.023
  372   1HB   LYS  51          HB2       LYS  51  -5.978   0.211   1.105
  373   2HB   LYS  51          HB3       LYS  51  -7.487  -0.023   0.214
  374   1HG   LYS  51          HG2       LYS  51  -6.818  -2.269  -0.444
  375   2HG   LYS  51          HG3       LYS  51  -5.175  -2.011   0.166
  376   1HD   LYS  51          HD2       LYS  51  -6.551  -3.390   1.700
  377   2HD   LYS  51          HD3       LYS  51  -5.980  -1.895   2.463
  378   1HE   LYS  51          HE2       LYS  51  -8.199  -0.857   2.110
  379   2HE   LYS  51          HE3       LYS  51  -8.742  -2.319   1.252
  380   1HZ   LYS  51          HZ1       LYS  51  -7.989  -2.186   4.125
  381   2HZ   LYS  51          HZ2       LYS  51  -9.497  -2.320   3.482
  382   3HZ   LYS  51          HZ3       LYS  51  -8.440  -3.559   3.322
  383    H    ILE  52           H        ILE  52  -5.200  -1.740  -2.398
  384    HA   ILE  52           HA       ILE  52  -7.317  -1.273  -4.433
  385    HB   ILE  52           HB       ILE  52  -4.465  -2.158  -4.987
  386   1HG1  ILE  52          HG12      ILE  52  -5.940   0.455  -5.513
  387   2HG1  ILE  52          HG13      ILE  52  -4.513   0.217  -4.511
  388   1HG2  ILE  52          HG21      ILE  52  -5.117  -2.183  -7.354
  389   2HG2  ILE  52          HG22      ILE  52  -6.132  -3.290  -6.457
  390   3HG2  ILE  52          HG23      ILE  52  -6.776  -1.701  -6.929
  391   1HD1  ILE  52          HD11      ILE  52  -4.630   0.094  -7.531
  392   2HD1  ILE  52          HD12      ILE  52  -3.837   1.291  -6.488
  393   3HD1  ILE  52          HD13      ILE  52  -3.218  -0.377  -6.560
  394    H    VAL  53           H        VAL  53  -8.606  -3.085  -4.575
  395    HA   VAL  53           HA       VAL  53  -7.589  -5.583  -3.300
  396    HB   VAL  53           HB       VAL  53 -10.423  -4.462  -3.213
  397   1HG1  VAL  53          HG11      VAL  53 -10.327  -6.899  -2.913
  398   2HG1  VAL  53          HG12      VAL  53  -9.096  -6.715  -1.641
  399   3HG1  VAL  53          HG13      VAL  53 -10.746  -6.097  -1.396
  400   1HG2  VAL  53          HG21      VAL  53  -8.968  -2.958  -1.947
  401   2HG2  VAL  53          HG22      VAL  53  -9.998  -3.889  -0.859
  402   3HG2  VAL  53          HG23      VAL  53  -8.284  -4.332  -1.048
  403    H    LYS  54           H        LYS  54  -7.462  -7.230  -4.712
  404    HA   LYS  54           HA       LYS  54  -9.034  -7.353  -7.193
  405   1HB   LYS  54          HB2       LYS  54  -7.277  -9.367  -5.704
  406   2HB   LYS  54          HB3       LYS  54  -7.981  -9.669  -7.284
  407   1HG   LYS  54          HG2       LYS  54  -6.030  -7.409  -6.733
  408   2HG   LYS  54          HG3       LYS  54  -5.590  -9.004  -7.368
  409   1HD   LYS  54          HD2       LYS  54  -7.139  -8.671  -9.284
  410   2HD   LYS  54          HD3       LYS  54  -7.517  -7.037  -8.685
  411   1HE   LYS  54          HE2       LYS  54  -5.324  -6.260  -9.007
  412   2HE   LYS  54          HE3       LYS  54  -4.682  -7.909  -9.212
  413   1HZ   LYS  54          HZ1       LYS  54  -5.006  -6.652 -11.343
  414   2HZ   LYS  54          HZ2       LYS  54  -5.784  -8.091 -11.302
  415   3HZ   LYS  54          HZ3       LYS  54  -6.646  -6.720 -11.092
  416    H    ILE  55           H        ILE  55 -10.907  -8.540  -7.536
  417    HA   ILE  55           HA       ILE  55 -11.582 -10.643  -5.608
  418    HB   ILE  55           HB       ILE  55 -12.623  -8.844  -4.524
  419   1HG1  ILE  55          HG12      ILE  55 -14.878 -10.138  -6.088
  420   2HG1  ILE  55          HG13      ILE  55 -13.902 -10.992  -4.887
  421   1HG2  ILE  55          HG21      ILE  55 -13.793  -7.951  -7.173
  422   2HG2  ILE  55          HG22      ILE  55 -14.268  -7.291  -5.603
  423   3HG2  ILE  55          HG23      ILE  55 -12.620  -7.082  -6.173
  424   1HD1  ILE  55          HD11      ILE  55 -14.558  -9.397  -3.139
  425   2HD1  ILE  55          HD12      ILE  55 -15.593  -8.530  -4.296
  426   3HD1  ILE  55          HD13      ILE  55 -15.960 -10.203  -3.853
  427    H    ASP  56           H        ASP  56 -12.382 -12.394  -6.648
  428    HA   ASP  56           HA       ASP  56 -12.501 -12.281  -9.578
  429   1HB   ASP  56          HB2       ASP  56 -11.209 -14.025  -8.481
  430   2HB   ASP  56          HB3       ASP  56 -12.634 -14.578  -7.601
  431    H    VAL  57           H        VAL  57 -14.465 -12.230 -10.741
  432    HA   VAL  57           HA       VAL  57 -16.877 -11.880  -9.242
  433    HB   VAL  57           HB       VAL  57 -18.026 -11.903 -11.478
  434   1HG1  VAL  57          HG11      VAL  57 -17.093  -9.775 -12.203
  435   2HG1  VAL  57          HG12      VAL  57 -17.230  -9.845 -10.457
  436   3HG1  VAL  57          HG13      VAL  57 -15.630 -10.057 -11.222
  437   1HG2  VAL  57          HG21      VAL  57 -16.735 -11.870 -13.533
  438   2HG2  VAL  57          HG22      VAL  57 -15.225 -12.173 -12.654
  439   3HG2  VAL  57          HG23      VAL  57 -16.491 -13.416 -12.723
  440    H    ASP  58           H        ASP  58 -15.527 -14.867 -10.587
  441    HA   ASP  58           HA       ASP  58 -18.181 -16.139 -10.795
  442   1HB   ASP  58          HB2       ASP  58 -16.441 -16.798 -12.382
  443   2HB   ASP  58          HB3       ASP  58 -15.369 -17.273 -11.062
  444    H    GLU  59           H        GLU  59 -15.372 -16.036  -8.616
  445    HA   GLU  59           HA       GLU  59 -16.535 -17.928  -6.717
  446   1HB   GLU  59          HB2       GLU  59 -14.182 -16.003  -6.555
  447   2HB   GLU  59          HB3       GLU  59 -14.649 -17.106  -5.254
  448   1HG   GLU  59          HG2       GLU  59 -14.388 -19.037  -6.819
  449   2HG   GLU  59          HG3       GLU  59 -13.804 -17.934  -8.063
  450    H    ASN  60           H        ASN  60 -17.117 -14.572  -7.375
  451    HA   ASN  60           HA       ASN  60 -18.388 -14.179  -4.704
  452   1HB   ASN  60          HB2       ASN  60 -16.513 -12.177  -6.013
  453   2HB   ASN  60          HB3       ASN  60 -17.351 -12.012  -4.484
  454   1HD2  ASN  60          HD22      ASN  60 -14.614 -13.446  -6.075
  455   2HD2  ASN  60          HD21      ASN  60 -13.870 -14.135  -4.632
  456    H    GLN  61           H        GLN  61 -19.943 -14.858  -6.696
  457    HA   GLN  61           HA       GLN  61 -20.698 -12.971  -8.625
  458   1HB   GLN  61          HB2       GLN  61 -22.855 -14.701  -7.498
  459   2HB   GLN  61          HB3       GLN  61 -22.389 -14.418  -9.157
  460   1HG   GLN  61          HG2       GLN  61 -22.005 -16.710  -8.776
  461   2HG   GLN  61          HG3       GLN  61 -20.404 -15.983  -8.729
  462   1HE2  GLN  61          HE22      GLN  61 -19.278 -17.240  -7.202
  463   2HE2  GLN  61          HE21      GLN  61 -19.815 -17.471  -5.541
  464    H    GLU  62           H        GLU  62 -21.871 -13.565  -5.319
  465    HA   GLU  62           HA       GLU  62 -24.066 -11.796  -5.331
  466   1HB   GLU  62          HB2       GLU  62 -22.308 -12.952  -3.131
  467   2HB   GLU  62          HB3       GLU  62 -23.736 -11.951  -2.792
  468   1HG   GLU  62          HG2       GLU  62 -25.149 -13.555  -4.077
  469   2HG   GLU  62          HG3       GLU  62 -23.737 -14.579  -4.341
  470    H    THR  63           H        THR  63 -20.596 -11.222  -4.399
  471    HA   THR  63           HA       THR  63 -21.139  -8.622  -3.396
  472    HB   THR  63           HB       THR  63 -18.463  -9.170  -4.548
  473    HG1  THR  63           HG1      THR  63 -19.576 -10.666  -2.412
  474   1HG2  THR  63          HG21      THR  63 -18.888  -7.227  -3.058
  475   2HG2  THR  63          HG22      THR  63 -19.294  -8.352  -1.741
  476   3HG2  THR  63          HG23      THR  63 -17.655  -8.334  -2.427
  477    H    ALA  64           H        ALA  64 -19.981  -9.802  -6.625
  478    HA   ALA  64           HA       ALA  64 -19.721  -7.185  -7.719
  479   1HB   ALA  64          HB1       ALA  64 -18.821  -9.344  -8.706
  480   2HB   ALA  64          HB2       ALA  64 -20.476  -9.767  -9.189
  481   3HB   ALA  64          HB3       ALA  64 -19.680  -8.331  -9.874
  482    H    GLY  65           H        GLY  65 -22.483  -9.492  -7.653
  483   1HA   GLY  65          HA2       GLY  65 -24.438  -7.971  -8.958
  484   2HA   GLY  65          HA3       GLY  65 -24.723  -9.168  -7.682
  485    H    LYS  66           H        LYS  66 -23.115  -7.587  -5.686
  486    HA   LYS  66           HA       LYS  66 -25.153  -6.045  -4.495
  487   1HB   LYS  66          HB2       LYS  66 -22.892  -7.126  -3.575
  488   2HB   LYS  66          HB3       LYS  66 -22.227  -5.530  -3.911
  489   1HG   LYS  66          HG2       LYS  66 -24.035  -4.535  -2.464
  490   2HG   LYS  66          HG3       LYS  66 -24.582  -6.172  -2.087
  491   1HD   LYS  66          HD2       LYS  66 -21.874  -4.947  -1.415
  492   2HD   LYS  66          HD3       LYS  66 -23.199  -5.275  -0.296
  493   1HE   LYS  66          HE2       LYS  66 -22.960  -7.754  -0.936
  494   2HE   LYS  66          HE3       LYS  66 -21.458  -7.312  -1.758
  495   1HZ   LYS  66          HZ1       LYS  66 -21.057  -8.078   0.491
  496   2HZ   LYS  66          HZ2       LYS  66 -20.607  -6.514   0.388
  497   3HZ   LYS  66          HZ3       LYS  66 -22.009  -6.921   1.124
  498    H    TYR  67           H        TYR  67 -22.852  -5.173  -6.990
  499    HA   TYR  67           HA       TYR  67 -23.700  -2.317  -6.816
  500   1HB   TYR  67          HB2       TYR  67 -21.167  -3.292  -8.133
  501   2HB   TYR  67          HB3       TYR  67 -21.561  -1.671  -7.578
  502    HD1  TYR  67           HD1      TYR  67 -19.915  -4.751  -6.816
  503    HD2  TYR  67           HD2      TYR  67 -21.920  -1.427  -4.938
  504    HE1  TYR  67           HE1      TYR  67 -19.000  -5.439  -4.661
  505    HE2  TYR  67           HE2      TYR  67 -20.947  -2.065  -2.755
  506    HH   TYR  67           HH       TYR  67 -19.670  -3.628  -1.598
  507    H    GLY  68           H        GLY  68 -24.708  -4.928  -8.370
  508   1HA   GLY  68          HA2       GLY  68 -25.752  -5.295 -10.357
  509   2HA   GLY  68          HA3       GLY  68 -25.568  -3.575 -10.744
  510    H    VAL  69           H        VAL  69 -22.843  -5.808 -10.048
  511    HA   VAL  69           HA       VAL  69 -21.844  -5.438 -12.842
  512    HB   VAL  69           HB       VAL  69 -20.385  -5.837 -10.187
  513   1HG1  VAL  69          HG11      VAL  69 -19.237  -5.549 -12.990
  514   2HG1  VAL  69          HG12      VAL  69 -18.311  -5.507 -11.468
  515   3HG1  VAL  69          HG13      VAL  69 -19.139  -6.982 -11.944
  516   1HG2  VAL  69          HG21      VAL  69 -19.484  -3.555 -10.630
  517   2HG2  VAL  69          HG22      VAL  69 -20.514  -3.426 -12.071
  518   3HG2  VAL  69          HG23      VAL  69 -21.234  -3.523 -10.463
  519    H    MET  70           H        MET  70 -21.574  -7.236 -14.036
  520    HA   MET  70           HA       MET  70 -20.665  -9.657 -12.820
  521   1HB   MET  70          HB2       MET  70 -23.301  -9.768 -12.747
  522   2HB   MET  70          HB3       MET  70 -23.177 -10.063 -14.480
  523   1HG   MET  70          HG2       MET  70 -23.268 -12.175 -13.259
  524   2HG   MET  70          HG3       MET  70 -21.680 -12.009 -14.000
  525   1HE   MET  70          HE1       MET  70 -20.591 -13.988 -10.866
  526   2HE   MET  70          HE2       MET  70 -22.014 -14.254 -11.900
  527   3HE   MET  70          HE3       MET  70 -20.454 -13.794 -12.625
  528    H    SER  71           H        SER  71 -19.612  -7.656 -14.495
  529    HA   SER  71           HA       SER  71 -18.825  -9.158 -16.866
  530   1HB   SER  71          HB2       SER  71 -19.637  -6.214 -16.926
  531   2HB   SER  71          HB3       SER  71 -19.023  -7.166 -18.288
  532    HG   SER  71           HG       SER  71 -21.309  -6.953 -18.316
  533    H    ILE  72           H        ILE  72 -16.632  -8.346 -17.585
  534    HA   ILE  72           HA       ILE  72 -15.176  -6.909 -15.458
  535    HB   ILE  72           HB       ILE  72 -13.536  -8.821 -15.432
  536   1HG1  ILE  72          HG12      ILE  72 -15.784 -10.419 -16.748
  537   2HG1  ILE  72          HG13      ILE  72 -14.297  -9.925 -17.557
  538   1HG2  ILE  72          HG21      ILE  72 -15.303  -8.374 -13.668
  539   2HG2  ILE  72          HG22      ILE  72 -16.273  -9.648 -14.429
  540   3HG2  ILE  72          HG23      ILE  72 -14.684 -10.023 -13.731
  541   1HD1  ILE  72          HD11      ILE  72 -14.126 -12.224 -16.852
  542   2HD1  ILE  72          HD12      ILE  72 -12.976 -11.234 -15.925
  543   3HD1  ILE  72          HD13      ILE  72 -14.495 -11.797 -15.176
  544    HA   PRO  73           HA       PRO  73 -12.773  -6.738 -15.059
  545   1HB   PRO  73          HB2       PRO  73 -11.164  -4.524 -15.392
  546   2HB   PRO  73          HB3       PRO  73 -10.623  -6.197 -15.666
  547   1HG   PRO  73          HG2       PRO  73 -11.500  -4.148 -17.694
  548   2HG   PRO  73          HG3       PRO  73 -10.161  -5.334 -17.811
  549   1HD   PRO  73          HD2       PRO  73 -12.616  -5.708 -19.004
  550   2HD   PRO  73          HD3       PRO  73 -11.613  -7.060 -18.401
  551    H    THR  74           H        THR  74 -13.719  -5.430 -13.498
  552    HA   THR  74           HA       THR  74 -14.889  -2.846 -14.346
  553    HB   THR  74           HB       THR  74 -16.379  -5.068 -12.878
  554    HG1  THR  74           HG1      THR  74 -17.126  -5.447 -14.745
  555   1HG2  THR  74          HG21      THR  74 -17.024  -2.999 -11.802
  556   2HG2  THR  74          HG22      THR  74 -17.158  -2.159 -13.358
  557   3HG2  THR  74          HG23      THR  74 -18.313  -3.415 -12.945
  558    H    LEU  75           H        LEU  75 -14.557  -1.317 -12.920
  559    HA   LEU  75           HA       LEU  75 -12.959  -2.043 -10.535
  560   1HB   LEU  75          HB2       LEU  75 -13.046   0.568 -12.079
  561   2HB   LEU  75          HB3       LEU  75 -12.102   0.218 -10.646
  562    HG   LEU  75           HG       LEU  75 -10.549  -0.013 -12.257
  563   1HD1  LEU  75          HD11      LEU  75  -9.814  -2.255 -12.528
  564   2HD1  LEU  75          HD12      LEU  75 -10.494  -2.024 -10.911
  565   3HD1  LEU  75          HD13      LEU  75 -11.427  -2.883 -12.162
  566   1HD2  LEU  75          HD21      LEU  75 -12.377  -1.537 -14.149
  567   2HD2  LEU  75          HD22      LEU  75 -12.073   0.212 -14.218
  568   3HD2  LEU  75          HD23      LEU  75 -10.753  -0.925 -14.484
  569    H    LEU  76           H        LEU  76 -13.536  -1.136  -8.609
  570    HA   LEU  76           HA       LEU  76 -16.123   0.336  -8.394
  571   1HB   LEU  76          HB2       LEU  76 -15.424  -2.342  -7.382
  572   2HB   LEU  76          HB3       LEU  76 -15.611  -1.247  -6.037
  573    HG   LEU  76           HG       LEU  76 -17.659  -2.474  -6.548
  574   1HD1  LEU  76          HD11      LEU  76 -19.221  -0.589  -6.517
  575   2HD1  LEU  76          HD12      LEU  76 -17.833  -0.296  -5.460
  576   3HD1  LEU  76          HD13      LEU  76 -17.934   0.509  -7.036
  577   1HD2  LEU  76          HD21      LEU  76 -17.402  -2.727  -8.976
  578   2HD2  LEU  76          HD22      LEU  76 -18.971  -2.003  -8.576
  579   3HD2  LEU  76          HD23      LEU  76 -17.663  -0.989  -9.205
  580    H    VAL  77           H        VAL  77 -15.883   2.153  -6.999
  581    HA   VAL  77           HA       VAL  77 -13.305   2.270  -5.502
  582    HB   VAL  77           HB       VAL  77 -14.579   4.654  -6.851
  583   1HG1  VAL  77          HG11      VAL  77 -13.109   5.119  -4.908
  584   2HG1  VAL  77          HG12      VAL  77 -11.803   4.183  -5.663
  585   3HG1  VAL  77          HG13      VAL  77 -12.373   5.692  -6.408
  586   1HG2  VAL  77          HG21      VAL  77 -12.653   4.537  -8.487
  587   2HG2  VAL  77          HG22      VAL  77 -12.326   2.900  -7.895
  588   3HG2  VAL  77          HG23      VAL  77 -13.860   3.269  -8.710
  589    H    LEU  78           H        LEU  78 -13.619   2.645  -3.462
  590    HA   LEU  78           HA       LEU  78 -16.234   3.674  -2.514
  591   1HB   LEU  78          HB2       LEU  78 -14.709   1.348  -1.265
  592   2HB   LEU  78          HB3       LEU  78 -16.190   2.084  -0.687
  593    HG   LEU  78           HG       LEU  78 -17.089   1.370  -3.135
  594   1HD1  LEU  78          HD11      LEU  78 -16.220  -0.908  -3.702
  595   2HD1  LEU  78          HD12      LEU  78 -14.999   0.343  -3.948
  596   3HD1  LEU  78          HD13      LEU  78 -14.920  -0.690  -2.521
  597   1HD2  LEU  78          HD21      LEU  78 -18.125   0.730  -1.027
  598   2HD2  LEU  78          HD22      LEU  78 -18.010  -0.670  -2.102
  599   3HD2  LEU  78          HD23      LEU  78 -16.882  -0.502  -0.747
  600    H    LYS  79           H        LYS  79 -16.061   4.670  -0.381
  601    HA   LYS  79           HA       LYS  79 -13.333   5.155   0.641
  602   1HB   LYS  79          HB2       LYS  79 -13.835   7.015  -0.925
  603   2HB   LYS  79          HB3       LYS  79 -15.305   7.397  -0.011
  604   1HG   LYS  79          HG2       LYS  79 -13.996   7.985   1.965
  605   2HG   LYS  79          HG3       LYS  79 -12.513   7.363   1.218
  606   1HD   LYS  79          HD2       LYS  79 -12.719   9.083  -0.574
  607   2HD   LYS  79          HD3       LYS  79 -14.147   9.749   0.244
  608   1HE   LYS  79          HE2       LYS  79 -12.789  10.299   2.227
  609   2HE   LYS  79          HE3       LYS  79 -11.377   9.514   1.508
  610   1HZ   LYS  79          HZ1       LYS  79 -11.488  11.169  -0.294
  611   2HZ   LYS  79          HZ2       LYS  79 -12.692  11.959   0.493
  612   3HZ   LYS  79          HZ3       LYS  79 -11.204  11.850   1.164
  613    H    ASP  80           H        ASP  80 -13.386   4.694   2.733
  614    HA   ASP  80           HA       ASP  80 -14.210   3.852   4.649
  615   1HB   ASP  80          HB2       ASP  80 -14.134   6.282   5.079
  616   2HB   ASP  80          HB3       ASP  80 -15.835   6.416   4.630
  617    H    GLY  81           H        GLY  81 -15.474   2.674   2.443
  618   1HA   GLY  81          HA2       GLY  81 -16.975   0.959   2.345
  619   2HA   GLY  81          HA3       GLY  81 -17.804   1.571   3.777
  620    H    GLU  82           H        GLU  82 -17.704   4.247   1.762
  621    HA   GLU  82           HA       GLU  82 -20.441   3.699   0.720
  622   1HB   GLU  82          HB2       GLU  82 -18.763   6.261   0.728
  623   2HB   GLU  82          HB3       GLU  82 -20.421   6.090   0.145
  624   1HG   GLU  82          HG2       GLU  82 -21.091   5.381   2.476
  625   2HG   GLU  82          HG3       GLU  82 -19.451   5.775   3.008
  626    H    VAL  83           H        VAL  83 -20.625   3.156  -1.485
  627    HA   VAL  83           HA       VAL  83 -18.313   3.089  -3.258
  628    HB   VAL  83           HB       VAL  83 -21.297   2.977  -3.847
  629   1HG1  VAL  83          HG11      VAL  83 -20.565   1.910  -6.001
  630   2HG1  VAL  83          HG12      VAL  83 -20.066   3.596  -5.870
  631   3HG1  VAL  83          HG13      VAL  83 -18.883   2.303  -5.587
  632   1HG2  VAL  83          HG21      VAL  83 -20.545   1.064  -2.422
  633   2HG2  VAL  83          HG22      VAL  83 -21.039   0.568  -4.039
  634   3HG2  VAL  83          HG23      VAL  83 -19.316   0.675  -3.648
  635    H    VAL  84           H        VAL  84 -17.554   4.636  -4.473
  636    HA   VAL  84           HA       VAL  84 -19.056   7.180  -4.747
  637    HB   VAL  84           HB       VAL  84 -16.971   8.408  -4.639
  638   1HG1  VAL  84          HG11      VAL  84 -16.569   8.288  -2.251
  639   2HG1  VAL  84          HG12      VAL  84 -18.296   8.042  -2.554
  640   3HG1  VAL  84          HG13      VAL  84 -17.260   6.662  -2.154
  641   1HG2  VAL  84          HG21      VAL  84 -15.388   6.669  -5.411
  642   2HG2  VAL  84          HG22      VAL  84 -14.867   7.410  -3.891
  643   3HG2  VAL  84          HG23      VAL  84 -15.597   5.800  -3.865
  644    H    GLU  85           H        GLU  85 -17.310   4.554  -6.370
  645    HA   GLU  85           HA       GLU  85 -18.387   5.682  -8.827
  646   1HB   GLU  85          HB2       GLU  85 -15.519   5.994  -8.245
  647   2HB   GLU  85          HB3       GLU  85 -15.753   5.036  -9.692
  648   1HG   GLU  85          HG2       GLU  85 -16.901   7.809  -9.202
  649   2HG   GLU  85          HG3       GLU  85 -15.445   7.436 -10.101
  650    H    THR  86           H        THR  86 -18.232   4.217 -10.667
  651    HA   THR  86           HA       THR  86 -17.184   1.532 -10.276
  652    HB   THR  86           HB       THR  86 -20.124   2.073 -10.844
  653    HG1  THR  86           HG1      THR  86 -18.957   1.785  -8.644
  654   1HG2  THR  86          HG21      THR  86 -20.323  -0.465 -10.922
  655   2HG2  THR  86          HG22      THR  86 -19.603   0.309 -12.340
  656   3HG2  THR  86          HG23      THR  86 -18.561  -0.509 -11.170
  657    H    SER  87           H        SER  87 -16.327   0.872 -12.245
  658    HA   SER  87           HA       SER  87 -16.990   2.367 -14.740
  659   1HB   SER  87          HB2       SER  87 -14.172   2.139 -13.590
  660   2HB   SER  87          HB3       SER  87 -14.656   2.975 -15.074
  661    HG   SER  87           HG       SER  87 -14.352   4.417 -13.333
  662    H    VAL  88           H        VAL  88 -16.183   1.201 -16.689
  663    HA   VAL  88           HA       VAL  88 -15.567  -1.673 -16.120
  664    HB   VAL  88           HB       VAL  88 -17.563  -0.556 -18.130
  665   1HG1  VAL  88          HG11      VAL  88 -16.917  -3.427 -17.324
  666   2HG1  VAL  88          HG12      VAL  88 -18.283  -2.940 -18.349
  667   3HG1  VAL  88          HG13      VAL  88 -16.638  -2.682 -18.914
  668   1HG2  VAL  88          HG21      VAL  88 -18.489  -0.298 -15.860
  669   2HG2  VAL  88          HG22      VAL  88 -19.317  -1.593 -16.716
  670   3HG2  VAL  88          HG23      VAL  88 -18.093  -1.993 -15.497
  671    H    GLY  89           H        GLY  89 -14.279  -2.723 -17.631
  672   1HA   GLY  89          HA2       GLY  89 -13.079  -3.071 -19.563
  673   2HA   GLY  89          HA3       GLY  89 -13.552  -1.483 -20.173
  674    H    PHE  90           H        PHE  90 -11.086  -2.069 -20.717
  675    HA   PHE  90           HA       PHE  90  -9.037  -1.557 -18.821
  676   1HB   PHE  90          HB2       PHE  90  -8.671  -2.599 -21.024
  677   2HB   PHE  90          HB3       PHE  90  -9.141  -1.107 -21.831
  678    HD1  PHE  90           HD1      PHE  90  -7.589   0.755 -22.055
  679    HD2  PHE  90           HD2      PHE  90  -6.516  -2.733 -19.748
  680    HE1  PHE  90           HE1      PHE  90  -5.250   1.567 -21.912
  681    HE2  PHE  90           HE2      PHE  90  -4.174  -1.908 -19.611
  682    HZ   PHE  90           HZ       PHE  90  -3.542   0.240 -20.682
  683    H    LYS  91           H        LYS  91  -7.728   0.370 -18.543
  684    HA   LYS  91           HA       LYS  91  -8.550   2.853 -19.717
  685   1HB   LYS  91          HB2       LYS  91  -9.414   2.203 -16.978
  686   2HB   LYS  91          HB3       LYS  91  -8.319   3.573 -16.956
  687   1HG   LYS  91          HG2       LYS  91  -9.712   4.965 -18.099
  688   2HG   LYS  91          HG3       LYS  91 -10.417   3.704 -19.093
  689   1HD   LYS  91          HD2       LYS  91 -11.047   4.110 -16.148
  690   2HD   LYS  91          HD3       LYS  91 -12.009   4.749 -17.480
  691   1HE   LYS  91          HE2       LYS  91 -11.527   1.789 -16.877
  692   2HE   LYS  91          HE3       LYS  91 -13.007   2.698 -16.570
  693   1HZ   LYS  91          HZ1       LYS  91 -11.867   2.016 -19.211
  694   2HZ   LYS  91          HZ2       LYS  91 -13.284   1.502 -18.574
  695   3HZ   LYS  91          HZ3       LYS  91 -13.130   3.065 -19.020
  696    HA   PRO  92           HA       PRO  92  -4.108   3.054 -19.204
  697   1HB   PRO  92          HB2       PRO  92  -3.586   5.676 -19.789
  698   2HB   PRO  92          HB3       PRO  92  -4.130   4.504 -21.027
  699   1HG   PRO  92          HG2       PRO  92  -5.815   6.501 -19.487
  700   2HG   PRO  92          HG3       PRO  92  -5.802   6.196 -21.252
  701   1HD   PRO  92          HD2       PRO  92  -7.647   5.061 -19.577
  702   2HD   PRO  92          HD3       PRO  92  -7.015   4.194 -21.010
  703    H    LYS  93           H        LYS  93  -2.461   4.093 -17.809
  704    HA   LYS  93           HA       LYS  93  -3.235   4.253 -15.118
  705   1HB   LYS  93          HB2       LYS  93  -0.882   3.828 -15.911
  706   2HB   LYS  93          HB3       LYS  93  -0.770   5.522 -16.414
  707   1HG   LYS  93          HG2       LYS  93  -1.244   6.163 -13.985
  708   2HG   LYS  93          HG3       LYS  93  -1.090   4.444 -13.584
  709   1HD   LYS  93          HD2       LYS  93   1.238   4.460 -14.390
  710   2HD   LYS  93          HD3       LYS  93   1.056   6.133 -14.961
  711   1HE   LYS  93          HE2       LYS  93   0.593   6.922 -12.695
  712   2HE   LYS  93          HE3       LYS  93   0.679   5.269 -12.064
  713   1HZ   LYS  93          HZ1       LYS  93   3.006   5.188 -12.643
  714   2HZ   LYS  93          HZ2       LYS  93   2.953   6.692 -13.312
  715   3HZ   LYS  93          HZ3       LYS  93   2.727   6.530 -11.701
  716    H    GLU  94           H        GLU  94  -2.659   6.976 -17.421
  717    HA   GLU  94           HA       GLU  94  -2.767   8.930 -15.407
  718   1HB   GLU  94          HB2       GLU  94  -3.377   9.160 -18.389
  719   2HB   GLU  94          HB3       GLU  94  -3.156  10.545 -17.318
  720   1HG   GLU  94          HG2       GLU  94  -1.038   8.418 -17.875
  721   2HG   GLU  94          HG3       GLU  94  -1.134   9.989 -18.656
  722    H    ALA  95           H        ALA  95  -5.408   7.616 -17.402
  723    HA   ALA  95           HA       ALA  95  -7.410   9.418 -16.431
  724   1HB   ALA  95          HB1       ALA  95  -8.976   7.730 -17.365
  725   2HB   ALA  95          HB2       ALA  95  -7.667   8.093 -18.512
  726   3HB   ALA  95          HB3       ALA  95  -7.629   6.587 -17.553
  727    H    LEU  96           H        LEU  96  -6.343   6.135 -15.456
  728    HA   LEU  96           HA       LEU  96  -8.375   5.788 -13.507
  729   1HB   LEU  96          HB2       LEU  96  -7.145   3.945 -14.596
  730   2HB   LEU  96          HB3       LEU  96  -5.655   4.452 -13.802
  731    HG   LEU  96           HG       LEU  96  -6.630   3.929 -11.591
  732   1HD1  LEU  96          HD11      LEU  96  -8.765   2.644 -11.441
  733   2HD1  LEU  96          HD12      LEU  96  -9.015   4.313 -11.948
  734   3HD1  LEU  96          HD13      LEU  96  -9.081   3.003 -13.153
  735   1HD2  LEU  96          HD21      LEU  96  -6.651   1.484 -11.848
  736   2HD2  LEU  96          HD22      LEU  96  -6.916   1.645 -13.597
  737   3HD2  LEU  96          HD23      LEU  96  -5.395   2.198 -12.872
  738    H    GLN  97           H        GLN  97  -4.993   7.057 -13.277
  739    HA   GLN  97           HA       GLN  97  -5.187   7.299 -10.412
  740   1HB   GLN  97          HB2       GLN  97  -3.080   8.375 -10.422
  741   2HB   GLN  97          HB3       GLN  97  -3.028   7.039 -11.553
  742   1HG   GLN  97          HG2       GLN  97  -1.890   8.705 -12.699
  743   2HG   GLN  97          HG3       GLN  97  -3.511   8.783 -13.372
  744   1HE2  GLN  97          HE22      GLN  97  -4.141  10.819 -13.786
  745   2HE2  GLN  97          HE21      GLN  97  -3.690  12.231 -12.847
  746    H    GLU  98           H        GLU  98  -6.055   9.394 -13.172
  747    HA   GLU  98           HA       GLU  98  -6.376  11.755 -11.607
  748   1HB   GLU  98          HB2       GLU  98  -6.262  11.748 -14.095
  749   2HB   GLU  98          HB3       GLU  98  -7.808  10.908 -14.163
  750   1HG   GLU  98          HG2       GLU  98  -8.196  13.233 -14.582
  751   2HG   GLU  98          HG3       GLU  98  -8.890  12.821 -13.019
  752    H    LEU  99           H        LEU  99  -8.585   9.127 -12.620
  753    HA   LEU  99           HA       LEU  99 -10.912  10.028 -11.293
  754   1HB   LEU  99          HB2       LEU  99 -10.794   8.257 -12.990
  755   2HB   LEU  99          HB3       LEU  99 -10.041   7.155 -11.845
  756    HG   LEU  99           HG       LEU  99 -12.715   8.430 -11.167
  757   1HD1  LEU  99          HD11      LEU  99 -12.330   5.991 -12.957
  758   2HD1  LEU  99          HD12      LEU  99 -13.880   6.573 -12.296
  759   3HD1  LEU  99          HD13      LEU  99 -12.987   7.567 -13.453
  760   1HD2  LEU  99          HD21      LEU  99 -11.649   7.009  -9.415
  761   2HD2  LEU  99          HD22      LEU  99 -13.119   6.270 -10.031
  762   3HD2  LEU  99          HD23      LEU  99 -11.534   5.669 -10.568
  763    H    VAL 100           H        VAL 100  -8.257   7.930 -10.052
  764    HA   VAL 100           HA       VAL 100  -9.354   7.570  -7.453
  765    HB   VAL 100           HB       VAL 100  -6.599   7.386  -8.684
  766   1HG1  VAL 100          HG11      VAL 100  -5.724   6.432  -6.554
  767   2HG1  VAL 100          HG12      VAL 100  -5.991   8.169  -6.496
  768   3HG1  VAL 100          HG13      VAL 100  -7.155   7.079  -5.717
  769   1HG2  VAL 100          HG21      VAL 100  -6.873   5.004  -8.137
  770   2HG2  VAL 100          HG22      VAL 100  -8.398   5.348  -7.297
  771   3HG2  VAL 100          HG23      VAL 100  -8.271   5.578  -9.053
  772    H    ASN 101           H        ASN 101  -7.083  10.116  -8.668
  773    HA   ASN 101           HA       ASN 101  -6.859  11.279  -6.095
  774   1HB   ASN 101          HB2       ASN 101  -5.288  12.538  -6.962
  775   2HB   ASN 101          HB3       ASN 101  -5.515  11.616  -8.440
  776   1HD2  ASN 101          HD22      ASN 101  -7.256  12.538  -9.962
  777   2HD2  ASN 101          HD21      ASN 101  -7.124  14.245 -10.272
  778    H    LYS 102           H        LYS 102  -9.387  11.649  -8.447
  779    HA   LYS 102           HA       LYS 102 -10.580  14.022  -7.342
  780   1HB   LYS 102          HB2       LYS 102 -12.121  11.591  -8.363
  781   2HB   LYS 102          HB3       LYS 102 -12.736  13.211  -8.129
  782   1HG   LYS 102          HG2       LYS 102 -10.915  12.223 -10.313
  783   2HG   LYS 102          HG3       LYS 102 -12.505  12.955 -10.427
  784   1HD   LYS 102          HD2       LYS 102 -11.440  15.116  -9.515
  785   2HD   LYS 102          HD3       LYS 102  -9.868  14.320  -9.777
  786   1HE   LYS 102          HE2       LYS 102 -10.634  13.890 -12.181
  787   2HE   LYS 102          HE3       LYS 102 -12.022  14.935 -11.849
  788   1HZ   LYS 102          HZ1       LYS 102 -10.355  16.699 -11.297
  789   2HZ   LYS 102          HZ2       LYS 102  -9.161  15.679 -11.824
  790   3HZ   LYS 102          HZ3       LYS 102 -10.305  16.221 -12.858
  791    H    HIS 103           H        HIS 103 -10.537  10.646  -6.170
  792    HA   HIS 103           HA       HIS 103 -12.566  11.290  -4.118
  793   1HB   HIS 103          HB2       HIS 103 -11.288   8.661  -4.951
  794   2HB   HIS 103          HB3       HIS 103 -12.569   8.845  -3.754
  795    HD1  HIS 103           HD1      HIS 103 -14.864  10.280  -4.969
  796    HD2  HIS 103           HD2      HIS 103 -12.191   8.012  -7.299
  797    HE1  HIS 103           HE1      HIS 103 -16.084   9.727  -7.136
  798    H    LEU 104           H        LEU 104  -9.092  10.783  -4.355
  799    HA   LEU 104           HA       LEU 104  -8.504  10.149  -1.661
  800   1HB   LEU 104          HB2       LEU 104  -6.984  11.916  -3.618
  801   2HB   LEU 104          HB3       LEU 104  -6.373  11.452  -2.040
  802    HG   LEU 104           HG       LEU 104  -7.001   9.520  -4.308
  803   1HD1  LEU 104          HD11      LEU 104  -4.998  10.907  -4.706
  804   2HD1  LEU 104          HD12      LEU 104  -4.351  10.440  -3.123
  805   3HD1  LEU 104          HD13      LEU 104  -4.567   9.221  -4.399
  806   1HD2  LEU 104          HD21      LEU 104  -5.808   7.849  -2.867
  807   2HD2  LEU 104          HD22      LEU 104  -5.874   9.008  -1.522
  808   3HD2  LEU 104          HD23      LEU 104  -7.369   8.347  -2.219