*HEADER    HYDROLASE                               29-JUL-05   2AI6              
*TITLE     SOLUTION STRUCTURE OF HUMAN PHOSPHOHISTIDINE PHOSPHATASE 1            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 14 KDA PHOSPHOHISTIDINE PHOSPHATASE;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PHOSPHOHISTIDINE PHOSPHATASE 1, PROTEIN JANUS-A             
*COMPND   5 HOMOLOG;                                                             
*COMPND   6 EC: 3.1.3.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
*KEYWDS    ALPHA/BETA ARCHITECTURE                                               
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    W.GONG, G.CUI, C.JIN, B.XIA                                           
*REVDAT   1   17-OCT-06 2AI6    0                                                


#
#  120 TRP  HE1         120 TRP  HZ2         3.50    (#      0:25  Unique         2.89, 2.90 A)
 &rst
  ixpk= 0, nxpk= 25, iat=1827,1830, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  120 TRP  HE1         120 TRP  HD1         2.80    (#      1:25  Unique         2.54, 2.55 A)
 &rst
  ixpk= 1, nxpk= 25, iat=1827,1825, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 TRP  HE1          49 TRP  HD1         2.80    (#      2:25  Unique         2.55, 2.55 A)
 &rst
  ixpk= 2, nxpk= 25, iat= 744, 742, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 TRP  HE1          49 TRP  HZ2         4.50    (#      3:25  Unique         2.90, 2.90 A)
 &rst
  ixpk= 3, nxpk= 25, iat= 744, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 HIS  HN           28 HIS  HD2         3.50    (#      4:25  Unique         2.52, 2.96 A)
 &rst
  ixpk= 4, nxpk= 25, iat= 424, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 TYR  HN           91 TYR  HD          3.50    (#      5:25  Unique         2.14, 3.81 A)
 &rst
  ixpk= 5, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1375,1384,
 &end
#
#   52 TYR  HN           52 TYR  HD          4.50    (#      6:25  Unique         3.15, 3.69 A)
 &rst
  ixpk= 6, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 800,
 &end
#
#  120 TRP  HN          120 TRP  HD1         4.50    (#      7:25  Unique         2.60, 2.66 A)
 &rst
  ixpk= 7, nxpk= 25, iat=1817,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:9       97 TYR  HD          4.50    (#      9:25  Single Ambig)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1454,1129,
 igr2=1462,1471,
 &end
#
#   92 GLY  HN           91 TYR  HD          3.50    (#     10:25  Unique         3.20, 4.11 A)
 &rst
  ixpk= 10, nxpk= 25, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1375,1384,
 &end
#
#   52 TYR  HD           52 TYR  HE          2.80    (#     15:25  Unique         2.48, 3.73 A)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 791, 800,
 igr2= 793, 798,
 &end
#
#  120 TRP  HZ2         120 TRP  HH2         2.80    (#     20:25  Unique         2.49, 2.49 A)
 &rst
  ixpk= 20, nxpk= 25, iat=1830,1832, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 TRP  HE3          49 TRP  HZ3         4.50    (#     24:25  Unique         2.45, 2.46 A)
 &rst
  ixpk= 24, nxpk= 25, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HN           52 TYR  HD          5.50    (#     26:25  Unique         2.50, 4.15 A)
 &rst
  ixpk= 26, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 800,
 &end
#
#  100 ALA  HN          102 HIS  HE1         4.50    (#     27:25  Unique         2.80, 2.86 A)
 &rst
  ixpk= 27, nxpk= 25, iat=1496,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 TRP  HH2          49 TRP  HZ2         3.50    (#     42:25  Unique         2.48, 2.49 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HD           93 TYR  HE          2.80    (#     43:25  Unique         2.46, 3.72 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1403,1412,
 igr2=1405,1410,
 &end
#
#   57 TYR  HD           57 TYR  HE          2.80    (#     46:25  Unique         2.46, 3.72 A)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 870, 879,
 igr2= 872, 877,
 &end
#
#   52 TYR  HE           52 TYR  HD          2.80    (#     47:25  Unique         2.48, 3.73 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 793, 798,
 igr2= 791, 800,
 &end
#
#   49 TRP  HZ3          49 TRP  HE3         4.50    (#     48:25  Unique         2.45, 2.46 A)
 &rst
  ixpk= 48, nxpk= 25, iat= 751, 753, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 TYR  HD           97 TYR  HE          2.80    (#     56:25  Unique         2.46, 3.73 A)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1462,1471,
 igr2=1464,1469,
 &end
#
#   93 TYR  HE           93 TYR  HD          2.80    (#     57:25  Unique         2.46, 3.72 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1405,1410,
 igr2=1403,1412,
 &end
#
#   47 TYR  HD           47 TYR  HE          2.80    (#     67:25  Unique         2.47, 3.73 A)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 699, 708,
 igr2= 701, 706,
 &end
#
#  125 TYR  HE          125 TYR  HD          2.80    (#     69:25  Unique         2.47, 3.73 A)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1894,1899,
 igr2=1892,1901,
 &end
#
#   57 TYR  HE           57 TYR  HD          2.80    (#     72:25  Unique         2.46, 3.72 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 872, 877,
 igr2= 870, 879,
 &end
#
#   97 TYR  HE           97 TYR  HD          2.80    (#     74:25  Unique         2.46, 3.73 A)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1464,1469,
 igr2=1462,1471,
 &end
#
#   47 TYR  HE           47 TYR  HD          3.50    (#     75:25  Unique         2.47, 3.73 A)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 701, 706,
 igr2= 699, 708,
 &end
#
#  102 HIS  HD2         102 HIS  HE1         4.50    (#     77:25  Unique         4.22, 4.23 A)
 &rst
  ixpk= 77, nxpk= 25, iat=1536,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 TYR  HE           91 TYR  HD          2.80    (#     78:25  Unique         2.43, 3.71 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1377,1382,
 igr2=1375,1384,
 &end
#
#  125 TYR  HD          125 TYR  HE          2.80    (#     79:25  Unique         2.47, 3.73 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1892,1901,
 igr2=1894,1899,
 &end
#
#  122 ASN  HA          120 TRP  HE3         3.50    (#     87:25  Unique         2.98, 3.27 A)
 &rst
  ixpk= 87, nxpk= 25, iat=1853,1836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 PHE  HA           20 PHE  HD          4.50    (#     88:25  Unique         2.37, 4.10 A)
 &rst
  ixpk= 88, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 275, 283,
 &end
#
#   97 TYR  HA           97 TYR  HD          2.80    (#    103:25  Unique         2.32, 3.54 A)
 &rst
  ixpk= 103, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1462,1471,
 &end
#
#   52 TYR  HA           52 TYR  HD          3.50    (#    104:25  Unique         3.71, 4.15 A)
 &rst
  ixpk= 104, nxpk= 25, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 791, 800,
 &end
#
#  119 THR  HB           89 HIS  HE1         5.50    (#    105:25  Unique         3.09, 4.14 A)
 &rst
  ixpk= 105, nxpk= 25, iat=1807,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:106     93 TYR  HE          5.50    (#    106:25  Single Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1429,1886,
 igr2=1405,1410,
 &end
#
#    0 AMB  25-2:108    125 TYR  HD          4.50    (#    108:25  Single Ambig)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1886,1390,1391,
 igr2=1892,1901,
 &end
#
#   77 GLY  HA+         102 HIS  HE1         4.50    (#    109:25  Unique         3.70, 4.33 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#  106 THR  HB          120 TRP  HD1         4.50    (#    110:25  Unique         3.69, 3.97 A)
 &rst
  ixpk= 110, nxpk= 25, iat=1584,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 TYR  HB-          52 TYR  HD          3.50    (#    111:25  Unique         2.41, 3.06 A)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 787, 788,
 igr2= 791, 800,
 &end
#
#   77 GLY  HA-         102 HIS  HE1         4.50    (#    112:25  Unique         3.70, 4.33 A)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#   56 ILE  HA           49 TRP  HH2         5.50    (#    113:25  Unique         2.84, 3.34 A)
 &rst
  ixpk= 113, nxpk= 25, iat= 845, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  124 GLY  HA-          91 TYR  HE          3.50    (#    114:25  Unique         3.23, 5.38 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1879,1880,
 igr2=1377,1382,
 &end
#
#   57 TYR  HA           57 TYR  HD          3.50    (#    115:25  Unique         2.25, 3.44 A)
 &rst
  ixpk= 115, nxpk= 25, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 870, 879,
 &end
#
#   49 TRP  HB+          49 TRP  HD1         4.50    (#    116:25  Unique         2.50, 3.09 A)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 738, 739,
 &end
#
#   93 TYR  HB+          93 TYR  HD          4.50    (#    117:25  Unique         2.34, 3.08 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1399,1400,
 igr2=1403,1412,
 &end
#
#    0 AMB  25-2:118     97 TYR  HD          4.50    (#    118:25  Single Ambig)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1420,1421,1131,1132,
 igr2=1462,1471,
 &end
#
#   49 TRP  HB-          49 TRP  HD1         3.50    (#    119:25  Unique         2.50, 3.09 A)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 738, 739,
 &end
#
#    0 AMB  25-2:120     57 TYR  HD          3.50    (#    120:25  Single Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 937, 938,
 igr2= 870, 879,
 &end
#
#   26 ARG  HD+          28 HIS  HE1         3.50    (#    121:25  Unique         2.44, 3.45 A)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 394, 395,
 &end
#
#   91 TYR  HB+          91 TYR  HD          3.50    (#    122:25  Unique         2.29, 3.11 A)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#    0 AMB  25-2:124    120 TRP  HD1         3.50    (#    124:25  Single Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1821,1822,1821,1822,1542,
 &end
#
#   97 TYR  HB+          97 TYR  HD          3.50    (#    125:25  Unique         2.34, 3.09 A)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1462,1471,
 &end
#
#  125 TYR  HB+         125 TYR  HD          4.50    (#    127:25  Unique         2.40, 3.08 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,
 igr2=1892,1901,
 &end
#
#   57 TYR  HB2          57 TYR  HD          3.50    (#    129:25  Unique         2.75, 3.14 A)
 &rst
  ixpk= 129, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 870, 879,
 &end
#
#   52 TYR  HB+          52 TYR  HD          3.50    (#    130:25  Unique         2.41, 3.06 A)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 787, 788,
 igr2= 791, 800,
 &end
#
#   71 CYS  HB3          57 TYR  HE          4.50    (#    131:25  Unique         2.88, 5.37 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 877,
 &end
#
#   91 TYR  HB-          91 TYR  HD          3.50    (#    133:25  Unique         2.29, 3.11 A)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1372,
 igr2=1375,1384,
 &end
#
#  102 HIS  HB2         120 TRP  HE3         4.50    (#    134:25  Unique         2.12, 2.26 A)
 &rst
  ixpk= 134, nxpk= 25, iat=1527,1836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 TYR  HB-         125 TYR  HD          4.50    (#    136:25  Unique         2.40, 3.08 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,
 igr2=1892,1901,
 &end
#
#   93 TYR  HB-          93 TYR  HD          3.50    (#    138:25  Unique         2.34, 3.08 A)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1399,1400,
 igr2=1403,1412,
 &end
#
#   59 LYS  HB+          49 TRP  HH2         3.50    (#    139:25  Unique         2.70, 3.55 A)
 &rst
  ixpk= 139, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   51 GLU  HB-          52 TYR  HD          3.50    (#    140:25  Unique         2.51, 4.75 A)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773,
 igr2= 791, 800,
 &end
#
#    0 AMB  25-2:141     52 TYR  HE          4.50    (#    141:25  Single Ambig)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 772, 773, 775, 776,
 igr2= 793, 798,
 &end
#
#    0 AMB  25-2:142     97 TYR  HD          3.50    (#    142:25  Single Ambig)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1458,1459,1096,1097,
 igr2=1462,1471,
 &end
#
#   51 GLU  HB+          52 TYR  HD          3.50    (#    143:25  Unique         2.51, 4.75 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773,
 igr2= 791, 800,
 &end
#
#    0 AMB  25-2:144     52 TYR  HE          3.50    (#    144:25  Single Ambig)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 772, 773, 775, 776,
 igr2= 793, 798,
 &end
#
#  121 ALA  MB           89 HIS  HE1         3.50    (#    145:25  Unique         2.22, 3.50 A)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#    0 AMB  25-2:146     47 TYR  HE          4.50    (#    146:25  Single Ambig)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 665, 667, 668,
 igr2= 701, 706,
 &end
#
#   54 ALA  MB           97 TYR  HE          4.50    (#    147:25  Unique         2.57, 5.05 A)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 825, 826, 827,
 igr2=1464,1469,
 &end
#
#  106 THR  MG2         120 TRP  HD1         3.50    (#    148:25  Unique         2.23, 3.40 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#  103 ALA  MB          120 TRP  HZ2         3.50    (#    149:25  Unique         2.58, 3.78 A)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#    0 AMB  25-2:150     47 TYR  HE          3.50    (#    150:25  Single Ambig)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929,
 igr2= 701, 706,
 &end
#
#    0 AMB  25-2:151     22 TYR  HE          3.50    (#    151:25  Single Ambig)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 355, 356, 357, 359, 360, 361, 336, 337, 338, 340,
       341, 342,
 igr2= 319, 324,
 &end
#
#    0 AMB  25-2:152     57 TYR  HD          2.80    (#    152:25  Single Ambig)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342,
 igr2= 870, 879,
 &end
#
#    0 AMB  25-2:153     97 TYR  HD          3.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,1448,1449,1450,
 igr2=1462,1471,
 &end
#
#    0 AMB  25-2:154     57 TYR  HE          3.50    (#    154:25  Single Ambig)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 872, 877,
 &end
#
#    0 AMB  25-2:155     97 TYR  HE          2.80    (#    155:25  Single Ambig)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2=1464,1469,
 &end
#
#   56 ILE  QD1          47 TYR  HD          3.50    (#    156:25  Unique         3.67, 6.37 A)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 699, 708,
 &end
#
#  100 ALA  MB          102 HIS  HE1         3.50    (#    157:25  Unique         3.64, 4.71 A)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1500,1501,1502,
 &end
#
#   90 VAL  MGX         102 HIS  HD2         2.80    (#    158:25  Unique         2.18, 4.25 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:160    120 TRP  HE3         4.50    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1834,1832,
 &end
#
#    0 AMB  25-2:162     22 TYR  HE          5.50    (#    162:25  Single Ambig)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 332, 686, 687,
 igr2= 319, 324,
 &end
#
#    0 AMB  25-2:164     28 HIS  HD2         5.50    (#    164:25  Single Ambig)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 426, 386,
 &end
#
#   51 GLU  HA           52 TYR  HD          5.50    (#    165:25  Unique         4.44, 5.92 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 800,
 &end
#
#   73 CYS  HA           57 TYR  HD          4.50    (#    166:25  Unique         3.71, 5.24 A)
 &rst
  ixpk= 166, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 879,
 &end
#
#    0 AMB  25-2:168     93 TYR  HD          5.50    (#    168:25  Single Ambig)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1886,1390,1391,
 igr2=1403,1412,
 &end
#
#   57 TYR  HB3          57 TYR  HE          4.50    (#    171:25  Unique         4.66, 5.10 A)
 &rst
  ixpk= 171, nxpk= 25, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 877,
 &end
#
#    0 AMB  25-2:172     57 TYR  HE          5.50    (#    172:25  Single Ambig)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1070, 887, 888,
 igr2= 872, 877,
 &end
#
#    0 AMB  25-2:173     57 TYR  HE          4.50    (#    173:25  Single Ambig)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 375, 376, 369,
 igr2= 872, 877,
 &end
#
#   73 CYS  HB-          57 TYR  HE          5.50    (#    174:25  Unique         3.84, 5.34 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2= 872, 877,
 &end
#
#   73 CYS  HA           57 TYR  HE          4.50    (#    175:25  Unique         4.10, 5.54 A)
 &rst
  ixpk= 175, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 877,
 &end
#
#   57 TYR  HA           57 TYR  HE          5.50    (#    176:25  Unique         4.51, 5.33 A)
 &rst
  ixpk= 176, nxpk= 25, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 877,
 &end
#
#  125 TYR  HB-         125 TYR  HE          4.50    (#    177:25  Unique         4.68, 5.10 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,
 igr2=1894,1899,
 &end
#
#  125 TYR  HB+         125 TYR  HE          5.50    (#    178:25  Unique         4.68, 5.10 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1888,1889,
 igr2=1894,1899,
 &end
#
#  102 HIS  HB3         120 TRP  HE3         5.50    (#    179:25  Unique         3.71, 3.75 A)
 &rst
  ixpk= 179, nxpk= 25, iat=1528,1836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:182     49 TRP  HH2         4.50    (#    182:25  Single Ambig)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 665, 667, 668,
 &end
#
#   52 TYR  HB+          52 TYR  HE          5.50    (#    184:25  Unique         4.71, 5.09 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 787, 788,
 igr2= 793, 798,
 &end
#
#   73 CYS  HB+          57 TYR  HD          4.50    (#    185:25  Unique         2.56, 4.32 A)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1096,1097,
 igr2= 870, 879,
 &end
#
#    0 AMB  25-2:186     57 TYR  HD          4.50    (#    186:25  Single Ambig)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 375, 376, 369,
 igr2= 870, 879,
 &end
#
#   60 VAL  MGY          47 TYR  HE          4.50    (#    187:25  Unique         3.47, 7.09 A)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 701, 706,
 &end
#
#    0 AMB  25-2:188    120 TRP  HD1         5.50    (#    188:25  Single Ambig)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1544,1545,1546,1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  25-2:189     57 TYR  HE          7.00    (#    189:25  Single Ambig)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1096,1097,1081,1082,
 igr2= 872, 877,
 &end
#
#   73 CYS  HB-          57 TYR  HD          5.50    (#    190:25  Unique         2.56, 4.32 A)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,
 igr2= 870, 879,
 &end
#
#  120 TRP  HA           89 HIS  HE1         5.50    (#    192:25  Unique         3.27, 3.49 A)
 &rst
  ixpk= 192, nxpk= 25, iat=1819,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  121 ALA  HN           89 HIS  HE1         5.50    (#    193:25  Unique         2.74, 3.61 A)
 &rst
  ixpk= 193, nxpk= 25, iat=1841,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:194     49 TRP  HD1         5.50    (#    194:25  Single Ambig)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 736, 760,
 &end
#
#   94 SER  HN           93 TYR  HD          5.50    (#    196:25  Unique         3.58, 4.69 A)
 &rst
  ixpk= 196, nxpk= 25, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1403,1412,
 &end
#
#   52 TYR  HN           52 TYR  HD          4.50    (#    200:25  Unique         3.15, 3.69 A)
 &rst
  ixpk= 200, nxpk= 25, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 800,
 &end
#
#   71 CYS  HA           28 HIS  HD2         4.50    (#    206:25  Unique         2.86, 3.54 A)
 &rst
  ixpk= 206, nxpk= 25, iat=1068, 437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 TYR  HA           91 TYR  HD          5.50    (#    208:25  Unique         3.82, 4.28 A)
 &rst
  ixpk= 208, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1375,1384,
 &end
#
#    0 AMB  25-2:209     47 TYR  HD          5.50    (#    209:25  Single Ambig)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 760, 736,
 igr2= 699, 708,
 &end
#
#   78 ARG  HN          102 HIS  HE1         5.50    (#    213:25  Unique         5.19, 5.26 A)
 &rst
  ixpk= 213, nxpk= 25, iat=1143,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HN           57 TYR  HD          5.50    (#    214:25  Unique         3.61, 4.49 A)
 &rst
  ixpk= 214, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 870, 879,
 &end
#
#  103 ALA  MB          120 TRP  HH2         5.50    (#    215:25  Unique         3.49, 4.72 A)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1544,1545,1546,
 &end
#
#    0 AMB  25-2:216     49 TRP  HE3         5.50    (#    216:25  Single Ambig)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 760, 736,
 &end
#
#  120 TRP  HE3         120 TRP  HZ3         5.50    (#    217:25  Unique         2.47, 2.47 A)
 &rst
  ixpk= 217, nxpk= 25, iat=1836,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:218    120 TRP  HZ3         5.50    (#    218:25  Single Ambig)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1851,1841,
 &end
#
#  125 TYR  HB+          93 TYR  HE          5.50    (#    220:25  Unique         2.54, 5.82 A)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1888,1889,
 igr2=1405,1410,
 &end
#
#   52 TYR  HB-          52 TYR  HE          4.50    (#    223:25  Unique         4.71, 5.09 A)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 787, 788,
 igr2= 793, 798,
 &end
#
#   76 GLY  HA-          22 TYR  HE          5.50    (#    224:25  Unique         2.37, 4.83 A)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1132,
 igr2= 319, 324,
 &end
#
#   22 TYR  HE          102 HIS  HD2         5.50    (#    225:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 319, 324,
 &end
#
#   57 TYR  HN           97 TYR  HE          7.00    (#    226:25  Unique         4.09, 6.47 A)
 &rst
  ixpk= 226, nxpk= 25, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1464,1469,
 &end
#
#    0 AMB  25-2:227     49 TRP  HZ2         4.50    (#    227:25  Single Ambig)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 905, 906, 667, 668,
 &end
# 1904 atoms read from pdb file sa_1.pdb.
# 19 VAL CHI1:  (19 VAL N)-(19 VAL CA)-(19 VAL CB)-(19 VAL CG1) 150.0 210.0
 &rst     iat =   250,   252,   254,   256,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	  rk2 =   50, rk3 =   50,				&end

# 23 VAL CHI1:  (23 VAL N)-(23 VAL CA)-(23 VAL CB)-(23 VAL CG1)  30.0  90.0
 &rst     iat =   329,   331,   333,   335,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end

# 44 VAL CHI1:  (44 VAL N)-(44 VAL CA)-(44 VAL CB)-(44 VAL CG1) 150.0 210.0
 &rst     iat =   643,   645,   647,   649,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 60 VAL CHI1:  (60 VAL N)-(60 VAL CA)-(60 VAL CB)-(60 VAL CG1) 150.0 210.0
 &rst     iat =   916,   918,   920,   922,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 14 ILE CHI1:  (14 ILE N)-(14 ILE CA)-(14 ILE CB)-(14 ILE CG1)  30.0  90.0
 &rst     iat =   189,   191,   193,   199,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end

# 43 ILE CHI1:  (43 ILE N)-(43 ILE CA)-(43 ILE CB)-(43 ILE CG1)  30.0  90.0
 &rst     iat =   624,   626,   628,   634,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end

# 79 ILE CHI1:  (79 ILE N)-(79 ILE CA)-(79 ILE CB)-(79 ILE CG1) -90.0 -30.0
 &rst     iat =  1166,  1168,  1170,  1176,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 104 ILE CHI1:  (104 ILE N)-(104 ILE CA)-(104 ILE CB)-(104 ILE CG1) -90.0 -30.0
 &rst     iat =  1549,  1551,  1553,  1559,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 106 THR CHI1:  (106 THR N)-(106 THR CA)-(106 THR CB)-(106 THR OG1)  30.0  90.0
 &rst     iat =  1579,  1581,  1583,  1589,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end

# 119 THR CHI1:  (119 THR N)-(119 THR CA)-(119 THR CB)-(119 THR OG1)  30.0  90.0
 &rst     iat =  1802,  1804,  1806,  1812,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end

# 6 LEU CHI1:  (6 LEU N)-(6 LEU CA)-(6 LEU CB)-(6 LEU CG) -90.0 -30.0
 &rst     iat =    68,    70,    72,    75,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 13 ASP CHI1:  (13 ASP N)-(13 ASP CA)-(13 ASP CB)-(13 ASP CG) 150.0 210.0
 &rst     iat =   177,   179,   181,   184,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 21 LYS CHI1:  (21 LYS N)-(21 LYS CA)-(21 LYS CB)-(21 LYS CG) -90.0 -30.0
 &rst     iat =   286,   288,   290,   293,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 26 ARG CHI1:  (26 ARG N)-(26 ARG CA)-(26 ARG CB)-(26 ARG CG) 150.0 210.0
 &rst     iat =   383,   385,   387,   390,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 28 HIS CHI1:  (28 HIS N)-(28 HIS CA)-(28 HIS CB)-(28 HIS CG) -90.0 -30.0
 &rst     iat =   423,   425,   427,   430,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 40 SER CHI1:  (40 SER N)-(40 SER CA)-(40 SER CB)-(40 SER OG) -90.0 -30.0
 &rst     iat =   576,   578,   580,   583,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 45 ARG CHI1:  (45 ARG N)-(45 ARG CA)-(45 ARG CB)-(45 ARG CG) -90.0 -30.0
 &rst     iat =   659,   661,   663,   666,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 55 ASP CHI1:  (55 ASP N)-(55 ASP CA)-(55 ASP CB)-(55 ASP CG) 150.0 210.0
 &rst     iat =   830,   832,   834,   837,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 57 TYR CHI1:  (57 TYR N)-(57 TYR CA)-(57 TYR CB)-(57 TYR CG) 150.0 210.0
 &rst     iat =   861,   863,   865,   868,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 63 ASP CHI1:  (63 ASP N)-(63 ASP CA)-(63 ASP CB)-(63 ASP CG) 150.0 210.0
 &rst     iat =   950,   952,   954,   957,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 64 MET CHI1:  (64 MET N)-(64 MET CA)-(64 MET CB)-(64 MET CG) -90.0 -30.0
 &rst     iat =   962,   964,   966,   969,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 65 GLN CHI1:  (65 GLN N)-(65 GLN CA)-(65 GLN CB)-(65 GLN CG) -90.0 -30.0
 &rst     iat =   979,   981,   983,   986,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 67 GLN CHI1:  (67 GLN N)-(67 GLN CA)-(67 GLN CB)-(67 GLN CG) -90.0 -30.0
 &rst     iat =  1018,  1020,  1022,  1025,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 69 CYS CHI1:  (69 CYS N)-(69 CYS CA)-(69 CYS CB)-(69 CYS SG) -90.0 -30.0
 &rst     iat =  1042,  1044,  1046,  1049,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 71 CYS CHI1:  (71 CYS N)-(71 CYS CA)-(71 CYS CB)-(71 CYS SG) -90.0 -30.0
 &rst     iat =  1065,  1067,  1069,  1072,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 74 LEU CHI1:  (74 LEU N)-(74 LEU CA)-(74 LEU CB)-(74 LEU CG) -90.0 -30.0
 &rst     iat =  1102,  1104,  1106,  1109,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 102 HIS CHI1:  (102 HIS N)-(102 HIS CA)-(102 HIS CB)-(102 HIS CG) -90.0 -30.0
 &rst     iat =  1522,  1524,  1526,  1529,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 105 SER CHI1:  (105 SER N)-(105 SER CA)-(105 SER CB)-(105 SER OG) -90.0 -30.0
 &rst     iat =  1568,  1570,  1572,  1575,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 108 LYS CHI1:  (108 LYS N)-(108 LYS CA)-(108 LYS CB)-(108 LYS CG) -90.0 -30.0
 &rst     iat =  1608,  1610,  1612,  1615,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 27 VAL CHI1:  (27 VAL N)-(27 VAL CA)-(27 VAL CB)-(27 VAL CG1) 150.0 210.0
# &rst     iat =   407,   409,   411,   413,
#	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
#	  rk2 =   150, rk3 =   150,				&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 CG1 CG2 HB
 &rst iat=32,36,40,35, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,44,33,34, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=46,54,49,50, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=58,63,61,62, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=56,66,59,60, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 6 atoms:  CB CD1 CD2 HG
 &rst iat=72,77,81,76, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=87,95,90,91, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 8 atoms:  CB CD1 CD2 HG
 &rst iat=101,106,110,105, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=97,114,100,101, &end
#
#  chirality for residue 9 atoms:  CA CG2 CG1 HB
 &rst iat=118,122,126,121, &end
#
#  chirality for residue 9 atoms:  CB CD1 HG12 HG13
 &rst iat=120,129,127,128, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=116,133,119,120, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=145,139,143,144, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=142,136,140,141, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=139,135,137,138, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=135,147,146,142, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=151,156,154,155, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=149,159,152,153, &end
#
#  chirality for residue 12 atoms:  CA CG1 CG2 HB
 &rst iat=163,167,171,166, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=161,175,164,165, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=177,187,180,181, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=191,195,199,194, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=193,202,200,201, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=189,206,192,193, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=210,215,213,214, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=208,218,211,212, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=222,227,225,226, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=220,229,223,224, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=233,238,236,237, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=231,241,234,235, &end
#
#  chirality for residue 18 atoms:  N C HA2 HA3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 19 atoms:  CA CG1 CG2 HB
 &rst iat=252,256,260,255, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=250,264,253,254, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=268,273,271,272, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=266,284,269,270, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=290,296,294,295, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=296,302,300,301, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=286,306,289,290, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=310,315,313,314, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=308,327,311,312, &end
#
#  chirality for residue 23 atoms:  CA CG1 CG2 HB
 &rst iat=331,335,339,334, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=329,343,332,333, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=347,352,350,351, &end
#
#  chirality for residue 24 atoms:  CB CD1 CD2 HG
 &rst iat=349,354,358,353, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=345,362,348,349, &end
#
#  chirality for residue 25 atoms:  CA CG2 CG1 HB
 &rst iat=366,370,374,369, &end
#
#  chirality for residue 25 atoms:  CB CD1 HG12 HG13
 &rst iat=368,377,375,376, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=364,381,367,368, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=385,390,388,389, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 26 atoms:  CG NE HD2 HD3
 &rst iat=390,396,394,395, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=383,405,386,387, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=409,413,417,412, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=407,421,410,411, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=423,438,426,427, &end
#
#  chirality for residue 29 atoms:  CA OG HB2 HB3
 &rst iat=442,447,445,446, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=440,449,443,444, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=451,459,454,455, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=471,465,469,470, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=468,462,466,467, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=465,461,463,464, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=461,473,472,468, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=477,482,480,481, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=479,485,483,484, &end
#
#  chirality for residue 32 atoms:  CG NE HD2 HD3
 &rst iat=482,488,486,487, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=475,497,478,479, &end
#
#  chirality for residue 33 atoms:  CA OG HB2 HB3
 &rst iat=501,506,504,505, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=499,508,502,503, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=510,515,513,514, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=517,525,520,521, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=537,531,535,536, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=534,528,532,533, &end
#
#  chirality for residue 36 atoms:  CG N HD2 HD3
 &rst iat=531,527,529,530, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=527,539,538,534, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=541,549,544,545, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=551,559,554,555, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=561,574,564,565, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=578,583,581,582, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=576,585,579,580, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=589,594,592,593, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=591,597,595,596, &end
#
#  chirality for residue 41 atoms:  CD NZ HE2 HE3
 &rst iat=597,603,601,602, &end
#
#  chirality for residue 41 atoms:  CG CE HD2 HD3
 &rst iat=594,600,598,599, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=587,607,590,591, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=613,619,617,618, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=609,622,612,613, &end
#
#  chirality for residue 43 atoms:  CA CG2 CG1 HB
 &rst iat=626,630,634,629, &end
#
#  chirality for residue 43 atoms:  CB CD1 HG12 HG13
 &rst iat=628,637,635,636, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=624,641,627,628, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=645,649,653,648, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=643,657,646,647, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=661,666,664,665, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=663,669,667,668, &end
#
#  chirality for residue 45 atoms:  CG NE HD2 HD3
 &rst iat=666,672,670,671, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=659,681,662,663, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=683,688,686,687, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=692,697,695,696, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=690,709,693,694, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=715,721,719,720, &end
#
#  chirality for residue 48 atoms:  CD NZ HE2 HE3
 &rst iat=721,727,725,726, &end
#
#  chirality for residue 48 atoms:  CG CE HD2 HD3
 &rst iat=718,724,722,723, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=711,731,714,715, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=735,740,738,739, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=733,755,736,737, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=757,765,760,761, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=769,774,772,773, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=771,777,775,776, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=767,780,770,771, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=784,789,787,788, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=782,801,785,786, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=803,818,806,807, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=820,828,823,824, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=832,837,835,836, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=830,840,833,834, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=844,848,852,847, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=846,855,853,854, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=842,859,845,846, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=863,868,866,867, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=861,880,864,865, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=884,889,887,888, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=882,892,885,886, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=898,904,902,903, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=904,910,908,909, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=901,907,905,906, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=894,914,897,898, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=918,922,926,921, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=916,930,919,920, &end
#
#  chirality for residue 61 atoms:  CA OG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=932,941,935,936, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=943,948,946,947, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=952,957,955,956, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=950,960,953,954, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=964,969,967,968, &end
#
#  chirality for residue 64 atoms:  CB SD HG2 HG3
 &rst iat=966,972,970,971, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=962,977,965,966, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=983,989,987,988, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=979,994,982,983, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=998,1003,1001,1002, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1000,1006,1004,1005, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=1006,1012,1010,1011, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=1003,1009,1007,1008, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=996,1016,999,1000, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1020,1025,1023,1024, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1022,1028,1026,1027, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1018,1033,1021,1022, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1035,1040,1038,1039, &end
#
#  chirality for residue 69 atoms:  CA SG HB2 HB3
 &rst iat=1044,1049,1047,1048, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1042,1051,1045,1046, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1053,1063,1056,1057, &end
#
#  chirality for residue 71 atoms:  CA SG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1065,1074,1068,1069, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1078,1083,1081,1082, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1080,1086,1084,1085, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1076,1089,1079,1080, &end
#
#  chirality for residue 73 atoms:  CA SG HB2 HB3
 &rst iat=1093,1098,1096,1097, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1091,1100,1094,1095, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1104,1109,1107,1108, &end
#
#  chirality for residue 74 atoms:  CB CD1 CD2 HG
 &rst iat=1106,1111,1115,1110, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1102,1119,1105,1106, &end
#
#  chirality for residue 75 atoms:  N C HA2 HA3
 &rst iat=1121,1126,1124,1125, &end
#
#  chirality for residue 76 atoms:  N C HA2 HA3
 &rst iat=1128,1133,1131,1132, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1135,1140,1138,1139, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1144,1149,1147,1148, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1146,1152,1150,1151, &end
#
#  chirality for residue 78 atoms:  CG NE HD2 HD3
 &rst iat=1149,1155,1153,1154, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1142,1164,1145,1146, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=1168,1172,1176,1171, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=1170,1179,1177,1178, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1166,1183,1169,1170, &end
#
#  chirality for residue 80 atoms:  CA OG HB2 HB3
 &rst iat=1187,1192,1190,1191, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1185,1194,1188,1189, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1198,1203,1201,1202, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1196,1211,1199,1200, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1215,1220,1218,1219, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1217,1223,1221,1222, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1213,1228,1216,1217, &end
#
#  chirality for residue 83 atoms:  CA OG HB2 HB3
 &rst iat=1232,1237,1235,1236, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1230,1239,1233,1234, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1245,1251,1249,1250, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1241,1256,1244,1245, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1260,1265,1263,1264, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1258,1268,1261,1262, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1272,1277,1275,1276, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1274,1280,1278,1279, &end
#
#  chirality for residue 86 atoms:  CD NZ HE2 HE3
 &rst iat=1280,1286,1284,1285, &end
#
#  chirality for residue 86 atoms:  CG CE HD2 HD3
 &rst iat=1277,1283,1281,1282, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1270,1290,1273,1274, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1294,1299,1297,1298, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1296,1302,1300,1301, &end
#
#  chirality for residue 87 atoms:  CD NZ HE2 HE3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 87 atoms:  CG CE HD2 HD3
 &rst iat=1299,1305,1303,1304, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1292,1312,1295,1296, &end
#
#  chirality for residue 88 atoms:  CA CG2 CG1 HB
 &rst iat=1316,1320,1324,1319, &end
#
#  chirality for residue 88 atoms:  CB CD1 HG12 HG13
 &rst iat=1318,1327,1325,1326, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1314,1331,1317,1318, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1335,1340,1338,1339, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1333,1348,1336,1337, &end
#
#  chirality for residue 90 atoms:  CA CG1 CG2 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1350,1364,1353,1354, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1368,1373,1371,1372, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1366,1385,1369,1370, &end
#
#  chirality for residue 92 atoms:  N C HA2 HA3
 &rst iat=1387,1392,1390,1391, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1396,1401,1399,1400, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1394,1413,1397,1398, &end
#
#  chirality for residue 94 atoms:  CA OG HB2 HB3
 &rst iat=1417,1422,1420,1421, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1415,1424,1418,1419, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1428,1433,1431,1432, &end
#
#  chirality for residue 95 atoms:  CB SD HG2 HG3
 &rst iat=1430,1436,1434,1435, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1426,1441,1429,1430, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1443,1451,1446,1447, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1455,1460,1458,1459, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1453,1472,1456,1457, &end
#
#  chirality for residue 98 atoms:  N C HA2 HA3
 &rst iat=1474,1479,1477,1478, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1491,1485,1489,1490, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1488,1482,1486,1487, &end
#
#  chirality for residue 99 atoms:  CG N HD2 HD3
 &rst iat=1485,1481,1483,1484, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1481,1493,1492,1488, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1495,1503,1498,1499, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1507,1512,1510,1511, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1509,1515,1513,1514, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1505,1520,1508,1509, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1524,1529,1527,1528, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1522,1537,1525,1526, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1539,1547,1542,1543, &end
#
#  chirality for residue 104 atoms:  CA CG2 CG1 HB
 &rst iat=1551,1555,1559,1554, &end
#
#  chirality for residue 104 atoms:  CB CD1 HG12 HG13
 &rst iat=1553,1562,1560,1561, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1549,1566,1552,1553, &end
#
#  chirality for residue 105 atoms:  CA OG HB2 HB3
 &rst iat=1570,1575,1573,1574, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1568,1577,1571,1572, &end
#
#  chirality for residue 106 atoms:  CA CG2 OG1 HB
 &rst iat=1581,1585,1589,1584, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1579,1591,1582,1583, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1595,1600,1598,1599, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1597,1603,1601,1602, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1593,1606,1596,1597, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1610,1615,1613,1614, &end
#
#  chirality for residue 108 atoms:  CB CD HG2 HG3
 &rst iat=1612,1618,1616,1617, &end
#
#  chirality for residue 108 atoms:  CD NZ HE2 HE3
 &rst iat=1618,1624,1622,1623, &end
#
#  chirality for residue 108 atoms:  CG CE HD2 HD3
 &rst iat=1615,1621,1619,1620, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1608,1628,1611,1612, &end
#
#  chirality for residue 109 atoms:  CA CG2 CG1 HB
 &rst iat=1632,1636,1640,1635, &end
#
#  chirality for residue 109 atoms:  CB CD1 HG12 HG13
 &rst iat=1634,1643,1641,1642, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1630,1647,1633,1634, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1651,1656,1654,1655, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1653,1659,1657,1658, &end
#
#  chirality for residue 110 atoms:  CD NZ HE2 HE3
 &rst iat=1659,1665,1663,1664, &end
#
#  chirality for residue 110 atoms:  CG CE HD2 HD3
 &rst iat=1656,1662,1660,1661, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1649,1669,1652,1653, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1671,1679,1674,1675, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1683,1688,1686,1687, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1685,1691,1689,1690, &end
#
#  chirality for residue 112 atoms:  CD NZ HE2 HE3
 &rst iat=1691,1697,1695,1696, &end
#
#  chirality for residue 112 atoms:  CG CE HD2 HD3
 &rst iat=1688,1694,1692,1693, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1681,1701,1684,1685, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1705,1710,1708,1709, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1703,1722,1706,1707, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1734,1728,1732,1733, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1731,1725,1729,1730, &end
#
#  chirality for residue 114 atoms:  CG N HD2 HD3
 &rst iat=1728,1724,1726,1727, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1724,1736,1735,1731, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1740,1745,1743,1744, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1738,1748,1741,1742, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1752,1757,1755,1756, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1750,1769,1753,1754, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1773,1778,1776,1777, &end
#
#  chirality for residue 117 atoms:  CB CD HG2 HG3
 &rst iat=1775,1781,1779,1780, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1771,1784,1774,1775, &end
#
#  chirality for residue 118 atoms:  CA CG1 CG2 HB
 &rst iat=1788,1792,1796,1791, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1786,1800,1789,1790, &end
#
#  chirality for residue 119 atoms:  CA CG2 OG1 HB
 &rst iat=1804,1808,1812,1807, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1802,1814,1805,1806, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1818,1823,1821,1822, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1816,1838,1819,1820, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1840,1848,1843,1844, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1852,1857,1855,1856, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1850,1862,1853,1854, &end
#
#  chirality for residue 123 atoms:  CA CG HB2 HB3
 &rst iat=1866,1871,1869,1870, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1864,1874,1867,1868, &end
#
#  chirality for residue 124 atoms:  N C HA2 HA3
 &rst iat=1876,1881,1879,1880, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1885,1890,1888,1889, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1883,1902,1886,1887, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=48,46,44,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=58,56,54,48, &end
#
#  trans-omega constraint for residue 6
 &rst iat=70,68,66,58, &end
#
#  trans-omega constraint for residue 7
 &rst iat=89,87,85,70, &end
#
#  trans-omega constraint for residue 8
 &rst iat=99,97,95,89, &end
#
#  trans-omega constraint for residue 9
 &rst iat=118,116,114,99, &end
#
#  trans-omega constraint for residue 10
 &rst iat=145,135,133,118, &end
#
#  trans-omega constraint for residue 11
 &rst iat=151,149,147,145, &end
#
#  trans-omega constraint for residue 12
 &rst iat=163,161,159,151, &end
#
#  trans-omega constraint for residue 13
 &rst iat=179,177,175,163, &end
#
#  trans-omega constraint for residue 14
 &rst iat=191,189,187,179, &end
#
#  trans-omega constraint for residue 15
 &rst iat=210,208,206,191, &end
#
#  trans-omega constraint for residue 16
 &rst iat=222,220,218,210, &end
#
#  trans-omega constraint for residue 17
 &rst iat=233,231,229,222, &end
#
#  trans-omega constraint for residue 18
 &rst iat=245,243,241,233, &end
#
#  trans-omega constraint for residue 19
 &rst iat=252,250,248,245, &end
#
#  trans-omega constraint for residue 20
 &rst iat=268,266,264,252, &end
#
#  trans-omega constraint for residue 21
 &rst iat=288,286,284,268, &end
#
#  trans-omega constraint for residue 22
 &rst iat=310,308,306,288, &end
#
#  trans-omega constraint for residue 23
 &rst iat=331,329,327,310, &end
#
#  trans-omega constraint for residue 24
 &rst iat=347,345,343,331, &end
#
#  trans-omega constraint for residue 25
 &rst iat=366,364,362,347, &end
#
#  trans-omega constraint for residue 26
 &rst iat=385,383,381,366, &end
#
#  trans-omega constraint for residue 27
 &rst iat=409,407,405,385, &end
#
#  trans-omega constraint for residue 28
 &rst iat=425,423,421,409, &end
#
#  trans-omega constraint for residue 29
 &rst iat=442,440,438,425, &end
#
#  trans-omega constraint for residue 30
 &rst iat=453,451,449,442, &end
#
#  trans-omega constraint for residue 31
 &rst iat=471,461,459,453, &end
#
#  trans-omega constraint for residue 32
 &rst iat=477,475,473,471, &end
#
#  trans-omega constraint for residue 33
 &rst iat=501,499,497,477, &end
#
#  trans-omega constraint for residue 34
 &rst iat=512,510,508,501, &end
#
#  trans-omega constraint for residue 35
 &rst iat=519,517,515,512, &end
#
#  trans-omega constraint for residue 36
 &rst iat=537,527,525,519, &end
#
#  trans-omega constraint for residue 37
 &rst iat=543,541,539,537, &end
#
#  trans-omega constraint for residue 38
 &rst iat=553,551,549,543, &end
#
#  trans-omega constraint for residue 39
 &rst iat=563,561,559,553, &end
#
#  trans-omega constraint for residue 40
 &rst iat=578,576,574,563, &end
#
#  trans-omega constraint for residue 41
 &rst iat=589,587,585,578, &end
#
#  trans-omega constraint for residue 42
 &rst iat=611,609,607,589, &end
#
#  trans-omega constraint for residue 43
 &rst iat=626,624,622,611, &end
#
#  trans-omega constraint for residue 44
 &rst iat=645,643,641,626, &end
#
#  trans-omega constraint for residue 45
 &rst iat=661,659,657,645, &end
#
#  trans-omega constraint for residue 46
 &rst iat=685,683,681,661, &end
#
#  trans-omega constraint for residue 47
 &rst iat=692,690,688,685, &end
#
#  trans-omega constraint for residue 48
 &rst iat=713,711,709,692, &end
#
#  trans-omega constraint for residue 49
 &rst iat=735,733,731,713, &end
#
#  trans-omega constraint for residue 50
 &rst iat=759,757,755,735, &end
#
#  trans-omega constraint for residue 51
 &rst iat=769,767,765,759, &end
#
#  trans-omega constraint for residue 52
 &rst iat=784,782,780,769, &end
#
#  trans-omega constraint for residue 53
 &rst iat=805,803,801,784, &end
#
#  trans-omega constraint for residue 54
 &rst iat=822,820,818,805, &end
#
#  trans-omega constraint for residue 55
 &rst iat=832,830,828,822, &end
#
#  trans-omega constraint for residue 56
 &rst iat=844,842,840,832, &end
#
#  trans-omega constraint for residue 57
 &rst iat=863,861,859,844, &end
#
#  trans-omega constraint for residue 58
 &rst iat=884,882,880,863, &end
#
#  trans-omega constraint for residue 59
 &rst iat=896,894,892,884, &end
#
#  trans-omega constraint for residue 60
 &rst iat=918,916,914,896, &end
#
#  trans-omega constraint for residue 61
 &rst iat=934,932,930,918, &end
#
#  trans-omega constraint for residue 62
 &rst iat=945,943,941,934, &end
#
#  trans-omega constraint for residue 63
 &rst iat=952,950,948,945, &end
#
#  trans-omega constraint for residue 64
 &rst iat=964,962,960,952, &end
#
#  trans-omega constraint for residue 65
 &rst iat=981,979,977,964, &end
#
#  trans-omega constraint for residue 66
 &rst iat=998,996,994,981, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1020,1018,1016,998, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1037,1035,1033,1020, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1044,1042,1040,1037, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1055,1053,1051,1044, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1067,1065,1063,1055, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1078,1076,1074,1067, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1093,1091,1089,1078, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1104,1102,1100,1093, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1123,1121,1119,1104, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1130,1128,1126,1123, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1137,1135,1133,1130, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1144,1142,1140,1137, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1168,1166,1164,1144, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1187,1185,1183,1168, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1198,1196,1194,1187, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1215,1213,1211,1198, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1232,1230,1228,1215, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1243,1241,1239,1232, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1260,1258,1256,1243, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1272,1270,1268,1260, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1294,1292,1290,1272, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1316,1314,1312,1294, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1335,1333,1331,1316, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1352,1350,1348,1335, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1368,1366,1364,1352, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1389,1387,1385,1368, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1396,1394,1392,1389, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1417,1415,1413,1396, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1428,1426,1424,1417, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1445,1443,1441,1428, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1455,1453,1451,1445, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1476,1474,1472,1455, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1491,1481,1479,1476, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1497,1495,1493,1491, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1507,1505,1503,1497, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1524,1522,1520,1507, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1541,1539,1537,1524, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1551,1549,1547,1541, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1570,1568,1566,1551, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1581,1579,1577,1570, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1595,1593,1591,1581, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1610,1608,1606,1595, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1632,1630,1628,1610, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1651,1649,1647,1632, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1673,1671,1669,1651, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1683,1681,1679,1673, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1705,1703,1701,1683, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1734,1724,1722,1705, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1740,1738,1736,1734, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1752,1750,1748,1740, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1773,1771,1769,1752, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1788,1786,1784,1773, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1804,1802,1800,1788, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1818,1816,1814,1804, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1842,1840,1838,1818, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1852,1850,1848,1842, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1866,1864,1862,1852, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1878,1876,1874,1866, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1885,1883,1881,1878, &end
#
# 31 PRO HG+ 9 ILE QG2 5.50  (# 25:20 Single Ambig ### 0704/05 for PRO31-36)
 &rst
  ixpk= 25, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 466, 467,
 igr2= 123, 124, 125,
 &end
#
# 9 ILE QG2 43 ILE HG1+ 4.5  (# 32:20 #for LYS41)
 &rst
  ixpk= 32, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 123, 124, 125,
 igr2= 635, 636,
 &end
#
# 6 LEU HN 7 ALA MB 5.50  (# 111:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 111, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
# 67 ARG HA 4 ALA MB 4.50  (# 288:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 288, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
# 38 GLU HN 38 ALA MB 2.80  (# 313:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 313, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 556, 557, 558,
 &end
#
# 29 SER HN 37 ALA MB 5.50  (# 316:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 316, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 546, 547, 548,
 &end
#
# 39 GLU HA 38 ALA MB 5.50  (# 317:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 317, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
# 32 ARG HA 3 VAL MGY 5.50  (# 393:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 393, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
# 45 ARG HB2 60 VAL MGX 3.50  (# 448:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 448, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
# 12 VAL HA 44 VAL MGY 4.50  (# 453:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 453, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
# 64 MET HN 60 VAL MGX 3.50  (# 464:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 464, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
# 6 LEU HA 27 VAL MGY 4.50  (# 502:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 502, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
# 118 VAL MGX 110 LYS HG- 3.50  (# 527:20 )
 &rst
  ixpk= 527, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1657,1658,
 &end
#
# 39 GLU HB+ 6 LEU MDY 5.50  (# 704:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 704, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
# 39 GLU HB+ 6 LEU MDX 3.50  (# 839:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 839, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
# 39 GLU HG+ 6 LEU MDX 4.50  (# 849:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 849, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 569, 570,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
# 29 SER HB+ 6 LEU HG 4.50  (# 1038:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 1038, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
# 67 GLN HA 32 ARG HG+ 4.50  (# 1043:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 1043, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 483, 484,
 &end
#
# 6 LEU HG 29 SER HB- 5.50  (# 1050:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 1050, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
# 36 PRO HG+ 35 ALA HA 4.50  (# 1063:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 1063, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 532, 533,
 &end
#
# 36 PRO HG+ 37 ALA MB 4.50  (# 1064:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 1064, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 532, 533,
 igr2= 546, 547, 548,
 &end
#
# 114 PRO HG+ 113 TYR HA 5.50  (# 1082:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 1082, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1729,1730,
 &end
#
# 26 ARG HG- 27 VAL HB 5.50  (# 1151:20 )
 &rst
  ixpk= 1151, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
# 39 GLU HB- 6 LEU MDX 3.50  (# 1587:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 1587, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
# 39 GLU HG+ 37 ALA MB 4.50  (# 2084:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 2084, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 569, 570,
 igr2= 546, 547, 548,
 &end
#
# 41 LYS HE- 6 LEU HB3 4.5  (# 2508:20 )
 &rst
  ixpk= 2508, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 601, 602,
 &end
#
# 41 LYS HE- 9 ILE HB 3.5  (# 2517:20 )
 &rst
  ixpk= 2517, nxpk= 0, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 601, 602,
 &end
#
# 30 ALA HA 29 SER HB+ 5.50  (# 2917:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 2917, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
# 36 PRO HD+ 35 ALA MB 2.80  (# 2921:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 2921, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 529, 530,
 igr2= 522, 523, 524,
 &end
#
# 35 ALA HA 34 GLY HA+ 5.50  (# 2941:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 2941, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514,
 &end
#
# 5 ASP HA 6 LEU HA 4.50  (# 3085:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 3085, nxpk= 0, iat=  59,  71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28 HIS HA 38 ALA MB 5.50  (# 3168:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 3168, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
# 67 GLN HA 68 GLY HN 3.50  (# 3182:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 3182, nxpk= 0, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 41 LYS HA 42 GLU HB- 4.5  (# 3254:20 )
 &rst
  ixpk= 3254, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
# 41 LYS HA 6 LEU MDX 5.5  (# 3261:20 )
 &rst
  ixpk= 3261, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
# 41 LYS HA 41 LYS HG- 4.5  (# 3267:20 )
 &rst
  ixpk= 3267, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 595, 596,
 &end
#
# 42 GLU HA 42 GLU HB- 3.5  (# 3279:20 )
 &rst
  ixpk= 3279, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
# 39 GLU HA 38 ALA HA 4.50  (# 3301:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 3301, nxpk= 0, iat= 564, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 43 ILE HA 44 VAL MGY 4.5  (# 3560:20 )
 &rst
  ixpk= 3560, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
# 65 GLN HA 66 LYS HB+ 7.00  (# 3567:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 3567, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1001,1002,
 &end
#
# 61 SER HA 64 MET HB3 5.50  (# 3750:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 3750, nxpk= 0, iat= 935, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 SER HA 61 SER HB- 3.50  (# 3770:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 3770, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
# 36 PRO HA 37 ALA MB 4.50  (# 3840:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 3840, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 546, 547, 548,
 &end
#
# 9 ILE QD1 6 LEU HA 2.80  (# 4113:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 4113, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 130, 131, 132,
 &end
#
# 31 PRO HG- 9 ILE QD1 5.50  (# 4190:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 4190, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 466, 467,
 igr2= 130, 131, 132,
 &end
#
# 9 ILE QD1 64 MET ME 3.50  (# 4201:20 Single Ambig ### 0704/05)
 &rst
  ixpk= 4201, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 130, 131, 132,
 igr2= 974, 975, 976,
 &end
#
# 31 PRO HG- 9 ILE QD1 4.50  (# 4209:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 4209, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 466, 467,
 igr2= 130, 131, 132,
 &end
#
# 30 ALA MB 33 SER HA 4.50  (# 4238:20 Double Ambig ### 0704/05)
 &rst
  ixpk= 4238, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
# 64 MET ME 9 ILE HG1- 4.5  (# 4279:20 )
 &rst
  ixpk= 4279, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:4278    64 MET  ME          4.50    (#   4278:20  Single Ambig)
 &rst
  ixpk= 4278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 968, 667, 668, 375, 376,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:130     43 ILE  QG2         3.50    (#    130:20  Single Ambig)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 412, 121,
 igr2= 631, 632, 633,
 &end
#
#    0 AMB  20-2:504      0 AMB  20-1:504    3.50    (#    504:20  Double Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1654,1655, 629, 974, 975, 976,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#    0 AMB  20-2:517      0 AMB  20-1:517    2.80    (#    517:20  Double Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1635,1657,1658, 375, 376, 968,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    0 AMB  20-2:523      0 AMB  20-1:523    2.80    (#    523:20  Double Ambig)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1586,1587,1588, 635, 636,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    0 AMB  20-2:3443     0 AMB  20-1:3443   5.50    (#   3443:20  Double Ambig)
 &rst
  ixpk= 3443, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 598, 599,1619,1620,1614,1686,1687,
 &end
#
#    0 AMB  20-2:3118     0 AMB  20-1:3118   5.50    (#   3118:20  Double Ambig)
 &rst
  ixpk= 3118, nxpk= 20, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=1686,1687,1657,1658,1614,
 &end
#
#    0 AMB  20-2:3122     0 AMB  20-1:3122   5.50    (#   3122:20  Double Ambig)
 &rst
  ixpk= 3122, nxpk= 20, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1654,1655,1660,1661,
 &end
#
#    0 AMB  20-2:4217     0 AMB  20-1:4217   3.50    (#   4217:20  Double Ambig)
 &rst
  ixpk= 4217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668, 522, 523, 524,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43,
 &end
#
#    0 AMB  20-2:466      0 AMB  20-1:466    2.80    (#    466:20  Double Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 667, 668,1619,1620,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#  105 SER  HN          104 ILE  QG2         3.50    (#      3:20  Unique         3.60, 4.30 A)
 &rst
  ixpk= 3, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=1556,1557,1558,
 &end
#
#  104 ILE  HG1+        104 ILE  QG2         2.80    (#      4:20  Unique         2.47, 3.56 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1560,1561,
 igr2=1556,1557,1558,
 &end
#
#  104 ILE  HA          104 ILE  QG2         2.80    (#      7:20  Unique         2.52, 3.16 A)
 &rst
  ixpk= 7, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1556,1557,1558,
 &end
#
#  108 LYS  HE+         104 ILE  QG2         4.50    (#      8:20  Unique         2.16, 3.86 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1622,1623,
 igr2=1556,1557,1558,
 &end
#
#  108 LYS  HE-         104 ILE  QG2         3.50    (#     11:20  Unique         2.16, 3.86 A)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1622,1623,
 igr2=1556,1557,1558,
 &end
#
#  104 ILE  HN          104 ILE  QG2         4.50    (#     12:20  Unique         4.42, 4.54 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1556,1557,1558,
 &end
#
#   10 PRO  HD-           9 ILE  QG2         4.50    (#     13:20  Unique         2.55, 3.93 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 137, 138,
 igr2= 123, 124, 125,
 &end
#
#    0 AMB  20-2:14       0 AMB  20-1:14     4.50    (#     14:20  Double Ambig)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 117,1550,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#  107 GLU  HN          104 ILE  QG2         5.50    (#     16:20  Unique         5.44, 6.15 A)
 &rst
  ixpk= 16, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1556,1557,1558,
 &end
#
#    0 AMB  20-2:17       0 AMB  20-1:17     2.80    (#     17:20  Double Ambig)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1560,1561, 127, 128,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#    0 AMB  20-2:18       0 AMB  20-1:18     5.50    (#     18:20  Double Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,1573,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#    9 ILE  HA            9 ILE  QG2         3.50    (#     19:20  Unique         2.59, 3.24 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 123, 124, 125,
 &end
#
#   41 LYS  HE+           9 ILE  QG2         5.50    (#     20:20  Unique         2.33, 4.30 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 601, 602,
 igr2= 123, 124, 125,
 &end
#
#    0 AMB  20-2:21       0 AMB  20-1:21     4.50    (#     21:20  Double Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1619,1620,1616,1617, 598, 599,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#    0 AMB  20-2:22       9 ILE  QG2         2.80    (#     22:20  Single Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 121, 412,
 igr2= 123, 124, 125,
 &end
#
#    0 AMB  20-2:23     104 ILE  QG2         2.80    (#     23:20  Single Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1554, 614, 615, 617, 618,
 igr2=1556,1557,1558,
 &end
#
#    0 AMB  20-2:24       0 AMB  20-1:24     3.50    (#     24:20  Double Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 974, 975, 976,1554, 614, 615, 617, 618,
 igr2= 123, 124, 125,1556,1557,1558,
 &end
#
#   42 GLU  HG+         104 ILE  QG2         4.50    (#     27:20  Unique         2.85, 5.16 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 617, 618,
 igr2=1556,1557,1558,
 &end
#
#    0 AMB  20-2:28     104 ILE  QG2         4.50    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 617, 618,1598,1599,
 igr2=1556,1557,1558,
 &end
#
#   41 LYS  HE-           9 ILE  QG2         4.50    (#     29:20  Unique         2.33, 4.30 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 601, 602,
 igr2= 123, 124, 125,
 &end
#
#  107 GLU  HN          104 ILE  QG2         5.50    (#     30:20  Unique         5.44, 6.15 A)
 &rst
  ixpk= 30, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1556,1557,1558,
 &end
#
#   43 ILE  HG1+          9 ILE  QG2         4.50    (#     33:20  Unique         4.65, 5.90 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 635, 636,
 igr2= 123, 124, 125,
 &end
#
#    0 AMB  20-2:34       0 AMB  20-1:34     4.50    (#     34:20  Double Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 353, 635, 636,  74,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#   24 LEU  HG          104 ILE  QG2         4.50    (#     35:20  Unique         3.54, 5.05 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1556,1557,1558,
 &end
#
#    0 AMB  20-2:36     104 ILE  QG2         3.50    (#     36:20  Single Ambig)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1619,1620,1560,1561,
 igr2=1556,1557,1558,
 &end
#
#    0 AMB  20-2:38       0 AMB  20-1:38     3.50    (#     38:20  Double Ambig)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1619,1620, 614, 615, 598, 599,
 igr2=1556,1557,1558, 123, 124, 125,
 &end
#
#   10 PRO  HD+           9 ILE  QG2         4.50    (#     41:20  Unique         2.55, 3.93 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 137, 138,
 igr2= 123, 124, 125,
 &end
#
#   26 ARG  HN           25 ILE  QD1         4.50    (#     44:20  Unique         3.86, 5.16 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 378, 379, 380,
 &end
#
#   57 TYR  HE           25 ILE  QD1         3.50    (#     45:20  Unique         2.95, 6.09 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 872, 877,
 igr2= 378, 379, 380,
 &end
#
#   71 CYS  HA           25 ILE  QD1         4.50    (#     46:20  Unique         3.86, 5.12 A)
 &rst
  ixpk= 46, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 378, 379, 380,
 &end
#
#   72 GLU  HN           25 ILE  QD1         3.50    (#     48:20  Unique         3.72, 4.56 A)
 &rst
  ixpk= 48, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 378, 379, 380,
 &end
#
#    0 AMB  20-2:49      25 ILE  QD1         2.80    (#     49:20  Single Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 375, 376, 369,
 igr2= 378, 379, 380,
 &end
#
#   71 CYS  HB3          25 ILE  QD1         3.50    (#     50:20  Unique         2.11, 2.93 A)
 &rst
  ixpk= 50, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 378, 379, 380,
 &end
#
#   27 VAL  HA           25 ILE  QD1         4.50    (#     51:20  Unique         3.99, 5.37 A)
 &rst
  ixpk= 51, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 378, 379, 380,
 &end
#
#   43 ILE  HN           25 ILE  QD1         5.50    (#     52:20  Unique         3.93, 6.02 A)
 &rst
  ixpk= 52, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 378, 379, 380,
 &end
#
#   71 CYS  HB2          25 ILE  QD1         3.50    (#     53:20  Unique         2.84, 3.77 A)
 &rst
  ixpk= 53, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 378, 379, 380,
 &end
#
#   73 CYS  HA           25 ILE  QD1         5.50    (#     54:20  Unique         4.71, 5.51 A)
 &rst
  ixpk= 54, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 378, 379, 380,
 &end
#
#   43 ILE  QD1          25 ILE  QD1         3.50    (#     55:20  Unique         2.56, 4.53 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639, 640,
 igr2= 378, 379, 380,
 &end
#
#   57 TYR  HD           25 ILE  QD1         4.50    (#     56:20  Unique         3.14, 6.01 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 870, 879,
 igr2= 378, 379, 380,
 &end
#
#    0 AMB  20-2:57      25 ILE  QD1         5.50    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 974, 975, 976, 629,1081,1082,
 igr2= 378, 379, 380,
 &end
#
#    0 AMB  20-2:58       0 AMB  20-1:58     2.80    (#     58:20  Double Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2= 203, 204, 205, 196, 197, 198,
 &end
#
#   25 ILE  HN           25 ILE  QD1         4.50    (#     59:20  Unique         4.22, 5.37 A)
 &rst
  ixpk= 59, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 378, 379, 380,
 &end
#
#    0 AMB  20-2:60       0 AMB  20-1:60     4.50    (#     60:20  Double Ambig)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 190,1739,
 igr2= 196, 197, 198, 203, 204, 205,
 &end
#
#    0 AMB  20-2:61       0 AMB  20-1:61     5.50    (#     61:20  Double Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 164,1735,
 igr2= 196, 197, 198, 203, 204, 205,
 &end
#
#   13 ASP  HN           14 ILE  QG2         4.50    (#     62:20  Unique         2.90, 4.08 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 196, 197, 198,
 &end
#
#   79 ILE  QD1           0 AMB  20-1:64     2.80    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1180,1181,1182,
 igr2= 196, 197, 198, 203, 204, 205,
 &end
#
#    0 AMB  20-2:66       0 AMB  20-1:66     3.50    (#     66:20  Double Ambig)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 200, 201, 200, 201,1732,1733,
 igr2= 203, 204, 205, 196, 197, 198,
 &end
#
#    0 AMB  20-2:67      14 ILE  QG2         2.80    (#     67:20  Single Ambig)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 192, 662,
 igr2= 196, 197, 198,
 &end
#
#   46 GLY  HN           14 ILE  QG2         3.50    (#     69:20  Unique         2.34, 3.46 A)
 &rst
  ixpk= 69, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 196, 197, 198,
 &end
#
#    0 AMB  20-2:70      14 ILE  QG2         4.50    (#     70:20  Single Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 686, 687, 670, 671,
 igr2= 196, 197, 198,
 &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= 5.67, r4= 6.17,
 igr1= 194,1729,1730,
 igr2= 196, 197, 198, 203, 204, 205,
 &end
#
#    0 AMB  20-2:74       0 AMB  20-1:74     3.50    (#     74:20  Double Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1173,1174,1175,1177,1178,1177,1178,
 igr2= 203, 204, 205, 196, 197, 198,
 &end
#
#   88 ILE  HA           79 ILE  QG2         5.50    (#     75:20  Unique         4.74, 5.51 A)
 &rst
  ixpk= 75, nxpk= 20, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#   79 ILE  HG1-         79 ILE  QG2         4.50    (#     76:20  Unique         2.46, 3.47 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1177,1178,
 igr2=1173,1174,1175,
 &end
#
#    0 AMB  20-2:77      79 ILE  QG2         2.80    (#     77:20  Single Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1321,1322,1323,1171,1357,1358,1359,1361,1362,1363,
       203, 204, 205,
 igr2=1173,1174,1175,
 &end
#
#   79 ILE  QD1          79 ILE  QG2         2.80    (#     79:20  Unique         2.17, 3.85 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1180,1181,1182,
 igr2=1173,1174,1175,
 &end
#
#   80 SER  HN           79 ILE  QG2         4.50    (#     81:20  Unique         2.64, 3.47 A)
 &rst
  ixpk= 81, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1173,1174,1175,
 &end
#
#    0 AMB  20-2:82      79 ILE  QG2         5.50    (#     82:20  Single Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1167,1315,
 igr2=1173,1174,1175,
 &end
#
#   79 ILE  HA           79 ILE  QG2         3.50    (#     83:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 83, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1173,1174,1175,
 &end
#
#  101 GLN  HB+         103 ALA  MB          4.50    (#     85:20  Unique         3.03, 5.01 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1510,1511,
 igr2=1544,1545,1546,
 &end
#
#  110 LYS  HN          111 ALA  MB          5.50    (#     86:20  Unique         5.00, 5.52 A)
 &rst
  ixpk= 86, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1676,1677,1678,
 &end
#
#    0 AMB  20-2:88     111 ALA  MB          2.80    (#     88:20  Single Ambig)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1674,1611,
 igr2=1676,1677,1678,
 &end
#
#  113 TYR  HN          111 ALA  MB          5.50    (#     89:20  Unique         4.84, 5.55 A)
 &rst
  ixpk= 89, nxpk= 20, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1676,1677,1678,
 &end
#
#  112 LYS  HN          111 ALA  MB          3.50    (#     90:20  Unique         2.53, 3.46 A)
 &rst
  ixpk= 90, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1676,1677,1678,
 &end
#
#  111 ALA  HN          111 ALA  MB          2.80    (#     91:20  Unique         2.50, 2.89 A)
 &rst
  ixpk= 91, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1676,1677,1678,
 &end
#
#   79 ILE  HA           79 ILE  QG2         5.50    (#     92:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 92, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1173,1174,1175,
 &end
#
#  120 TRP  HD1         103 ALA  MB          5.50    (#     93:20  Unique         5.25, 6.01 A)
 &rst
  ixpk= 93, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1544,1545,1546,
 &end
#
#  104 ILE  HG1-        103 ALA  MB          4.50    (#     96:20  Unique         3.32, 5.04 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1560,1561,
 igr2=1544,1545,1546,
 &end
#
#  120 TRP  HE1         103 ALA  MB          3.50    (#     97:20  Unique         3.72, 4.50 A)
 &rst
  ixpk= 97, nxpk= 20, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#  104 ILE  HN          103 ALA  MB          3.50    (#     98:20  Unique         2.66, 3.51 A)
 &rst
  ixpk= 98, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#  103 ALA  HA          103 ALA  MB          2.80    (#     99:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 99, nxpk= 20, iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1544,1545,1546,
 &end
#
#  103 ALA  HN          103 ALA  MB          3.50    (#    100:20  Unique         2.45, 2.84 A)
 &rst
  ixpk= 100, nxpk= 20, iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#  120 TRP  HZ2         103 ALA  MB          3.50    (#    101:20  Unique         2.76, 3.86 A)
 &rst
  ixpk= 101, nxpk= 20, iat=1830,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1544,1545,1546,
 &end
#
#    8 LEU  MDY           7 ALA  MB          4.50    (#    103:20  Unique         3.62, 6.26 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2=  92,  93,  94,
 &end
#
#    7 ALA  HA            7 ALA  MB          2.80    (#    104:20  Unique         2.46, 2.66 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  20-2:105    103 ALA  MB          5.50    (#    105:20  Single Ambig)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1832,1834,1594,
 igr2=1544,1545,1546,
 &end
#
#    8 LEU  HN            7 ALA  MB          3.50    (#    106:20  Unique         3.08, 3.80 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#    7 ALA  HN            7 ALA  MB          2.80    (#    107:20  Unique         2.48, 2.88 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  92,  93,  94,
 &end
#
#    8 LEU  HA            7 ALA  MB          4.50    (#    108:20  Unique         4.44, 4.97 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  20-2:109    103 ALA  MB          4.50    (#    109:20  Single Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1513,1514,1598,1599,
 igr2=1544,1545,1546,
 &end
#
#    0 AMB  20-2:113     30 ALA  MB          4.50    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 443, 478,
 igr2= 456, 457, 458,
 &end
#
#    8 LEU  MDX           7 ALA  MB          3.50    (#    115:20  Unique         3.62, 6.26 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2=  92,  93,  94,
 &end
#
#  118 VAL  MGY          88 ILE  QG2         4.50    (#    119:20  Unique         2.42, 6.26 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1321,1322,1323,
 &end
#
#    0 AMB  20-2:120     35 ALA  MB          3.50    (#    120:20  Single Ambig)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 529, 530, 463, 464,
 igr2= 522, 523, 524,
 &end
#
#   44 VAL  HN           43 ILE  QG2         4.50    (#    121:20  Unique         3.91, 4.55 A)
 &rst
  ixpk= 121, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 631, 632, 633,
 &end
#
#    0 AMB  20-2:122     43 ILE  QG2         3.50    (#    122:20  Single Ambig)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 598, 599, 375, 376,1619,1620, 614, 615,
 igr2= 631, 632, 633,
 &end
#
#    0 AMB  20-2:123     35 ALA  MB          3.50    (#    123:20  Single Ambig)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 529, 530, 463, 464,
 igr2= 522, 523, 524,
 &end
#
#   11 ASP  HA           43 ILE  QG2         2.80    (#    124:20  Unique         2.17, 3.09 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#   43 ILE  HA           43 ILE  QG2         2.80    (#    125:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#   41 LYS  HE+          43 ILE  QG2         3.50    (#    126:20  Unique         2.15, 2.76 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602,
 igr2= 631, 632, 633,
 &end
#
#   42 GLU  HA           43 ILE  QG2         4.50    (#    127:20  Unique         3.80, 4.86 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 631, 632, 633,
 &end
#
#   28 HIS  HB3          30 ALA  MB          5.50    (#    132:20  Unique         3.67, 5.43 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 456, 457, 458,
 &end
#
#   41 LYS  HD-          43 ILE  QG2         4.50    (#    133:20  Unique         2.90, 4.17 A)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 598, 599,
 igr2= 631, 632, 633,
 &end
#
#   43 ILE  QD1          43 ILE  QG2         2.80    (#    136:20  Unique         2.26, 3.74 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 638, 639, 640,
 igr2= 631, 632, 633,
 &end
#
#   43 ILE  HB           43 ILE  QG2         2.80    (#    137:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 631, 632, 633,
 &end
#
#   41 LYS  HE-          43 ILE  QG2         3.50    (#    139:20  Unique         2.15, 2.76 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602,
 igr2= 631, 632, 633,
 &end
#
#   45 ARG  HE           43 ILE  QG2         5.50    (#    140:20  Unique         4.26, 6.01 A)
 &rst
  ixpk= 140, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 631, 632, 633,
 &end
#
#   43 ILE  HG1-         43 ILE  QG2         3.50    (#    141:20  Unique         2.46, 3.54 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 636,
 igr2= 631, 632, 633,
 &end
#
#    0 AMB  20-2:142     54 ALA  MB          5.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 883,1444,
 igr2= 825, 826, 827,
 &end
#
#   79 ILE  QG2          88 ILE  QG2         2.80    (#    144:20  Unique         2.41, 3.61 A)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1173,1174,1175,
 igr2=1321,1322,1323,
 &end
#
#   88 ILE  HA           88 ILE  QG2         4.50    (#    145:20  Unique         2.40, 3.17 A)
 &rst
  ixpk= 145, nxpk= 20, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1321,1322,1323,
 &end
#
#   52 TYR  HB-          54 ALA  MB          3.50    (#    148:20  Unique         3.32, 5.07 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 787, 788,
 igr2= 825, 826, 827,
 &end
#
#   52 TYR  HD           54 ALA  MB          5.50    (#    149:20  Unique         2.29, 5.46 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 791, 800,
 igr2= 825, 826, 827,
 &end
#
#   43 ILE  HN           43 ILE  QG2         3.50    (#    150:20  Unique         3.04, 3.87 A)
 &rst
  ixpk= 150, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 631, 632, 633,
 &end
#
#   57 TYR  HB3          54 ALA  MB          4.50    (#    151:20  Unique         4.16, 4.75 A)
 &rst
  ixpk= 151, nxpk= 20, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 825, 826, 827,
 &end
#
#   97 TYR  HD           96 ALA  MB          5.50    (#    153:20  Unique         3.06, 4.74 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1462,1471,
 igr2=1448,1449,1450,
 &end
#
#    0 AMB  20-2:154     54 ALA  MB          5.50    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 793, 798, 870, 879,1462,1471,
 igr2= 825, 826, 827,
 &end
#
#   55 ASP  HA           54 ALA  MB          5.50    (#    155:20  Unique         4.30, 4.89 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 825, 826, 827,
 &end
#
#   54 ALA  HN           54 ALA  MB          2.80    (#    156:20  Unique         2.51, 2.89 A)
 &rst
  ixpk= 156, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 825, 826, 827,
 &end
#
#   54 ALA  HA           54 ALA  MB          2.80    (#    158:20  Unique         2.46, 2.66 A)
 &rst
  ixpk= 158, nxpk= 20, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 825, 826, 827,
 &end
#
#   35 ALA  HA           35 ALA  MB          2.80    (#    159:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 159, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 522, 523, 524,
 &end
#
#   52 TYR  HB+          54 ALA  MB          4.50    (#    160:20  Unique         3.32, 5.07 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 787, 788,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  20-2:161     54 ALA  MB          5.50    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 862,1454,
 igr2= 825, 826, 827,
 &end
#
#   55 ASP  HN           54 ALA  MB          3.50    (#    162:20  Unique         3.00, 3.78 A)
 &rst
  ixpk= 162, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 825, 826, 827,
 &end
#
#    0 AMB  20-2:163     35 ALA  MB          2.80    (#    163:20  Single Ambig)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 529, 530, 463, 464,
 igr2= 522, 523, 524,
 &end
#
#   97 TYR  HE           54 ALA  MB          3.50    (#    164:20  Unique         2.89, 5.04 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1464,1469,
 igr2= 825, 826, 827,
 &end
#
#   35 ALA  HN           35 ALA  MB          3.50    (#    165:20  Unique         2.46, 3.18 A)
 &rst
  ixpk= 165, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 522, 523, 524,
 &end
#
#   96 ALA  MB           54 ALA  MB          3.50    (#    166:20  Unique         3.34, 5.15 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1448,1449,1450,
 igr2= 825, 826, 827,
 &end
#
#   96 ALA  HN           96 ALA  MB          4.50    (#    167:20  Unique         2.45, 3.12 A)
 &rst
  ixpk= 167, nxpk= 20, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1448,1449,1450,
 &end
#
#   97 TYR  HE           96 ALA  MB          5.50    (#    168:20  Unique         3.00, 4.54 A)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1464,1469,
 igr2=1448,1449,1450,
 &end
#
#   54 ALA  MB           96 ALA  MB          4.50    (#    169:20  Unique         3.34, 5.15 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 825, 826, 827,
 igr2=1448,1449,1450,
 &end
#
#   96 ALA  HA           96 ALA  MB          2.80    (#    170:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 170, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1448,1449,1450,
 &end
#
#   97 TYR  HN           96 ALA  MB          4.50    (#    173:20  Unique         2.70, 3.83 A)
 &rst
  ixpk= 173, nxpk= 20, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1448,1449,1450,
 &end
#
#   97 TYR  HA           96 ALA  MB          5.50    (#    174:20  Unique         4.59, 5.16 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1448,1449,1450,
 &end
#
#   45 ARG  HN           56 ILE  QG2         5.50    (#    177:20  Unique         5.39, 6.39 A)
 &rst
  ixpk= 177, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#   46 GLY  HA+          56 ILE  QG2         5.50    (#    178:20  Unique         2.68, 4.65 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 687,
 igr2= 849, 850, 851,
 &end
#
#   45 ARG  HB2          56 ILE  QG2         3.50    (#    179:20  Unique         3.37, 4.15 A)
 &rst
  ixpk= 179, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 849, 850, 851,
 &end
#
#   47 TYR  HE           56 ILE  QG2         3.50    (#    181:20  Unique         2.56, 5.04 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 701, 706,
 igr2= 849, 850, 851,
 &end
#
#   56 ILE  HA            0 AMB  20-1:182    2.80    (#    182:20  Single Ambig)
 &rst
  ixpk= 182, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 849, 850, 851, 762, 763, 764,
 &end
#
#   47 TYR  HD            0 AMB  20-1:183    3.50    (#    183:20  Single Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 699, 708,
 igr2= 849, 850, 851, 762, 763, 764,
 &end
#
#   56 ILE  HG1-          0 AMB  20-1:184    2.80    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 853, 854,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#   60 VAL  MGY          56 ILE  QG2         2.80    (#    185:20  Unique         2.72, 5.66 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 849, 850, 851,
 &end
#
#   47 TYR  HN            0 AMB  20-1:186    5.50    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#   23 VAL  HN            0 AMB  20-1:187    5.50    (#    187:20  Single Ambig)
 &rst
  ixpk= 187, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 849, 850, 851, 762, 763, 764,
 &end
#
#   49 TRP  HZ3          50 ALA  MB          4.50    (#    188:20  Unique         2.47, 3.61 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#   57 TYR  HN           56 ILE  QG2         4.50    (#    189:20  Unique         5.08, 5.25 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 849, 850, 851,
 &end
#
#   56 ILE  HB           56 ILE  QG2         2.80    (#    190:20  Unique         2.38, 2.61 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 849, 850, 851,
 &end
#
#   24 LEU  HG          100 ALA  MB          5.50    (#    191:20  Unique         2.61, 4.27 A)
 &rst
  ixpk= 191, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1500,1501,1502,
 &end
#
#    0 AMB  20-2:193      0 AMB  20-1:193    3.50    (#    193:20  Double Ambig)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 853, 854, 853, 854,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#    0 AMB  20-2:194     56 ILE  QG2         4.50    (#    194:20  Single Ambig)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 665, 902, 903,
 igr2= 849, 850, 851,
 &end
#
#    0 AMB  20-2:195     56 ILE  QG2         5.50    (#    195:20  Single Ambig)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 667, 668, 291,
 igr2= 849, 850, 851,
 &end
#
#   60 VAL  HB           56 ILE  QG2         4.50    (#    196:20  Unique         4.82, 5.70 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 849, 850, 851,
 &end
#
#    0 AMB  20-2:197      0 AMB  20-1:197    5.50    (#    197:20  Double Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 311, 693,
 igr2= 849, 850, 851, 762, 763, 764,
 &end
#
#   75 GLY  HN          100 ALA  MB          4.50    (#    198:20  Unique         3.80, 4.70 A)
 &rst
  ixpk= 198, nxpk= 20, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#   99 PRO  HA          100 ALA  MB          4.50    (#    199:20  Unique         4.38, 4.94 A)
 &rst
  ixpk= 199, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#   60 VAL  HN           56 ILE  QG2         5.50    (#    200:20  Unique         4.27, 5.35 A)
 &rst
  ixpk= 200, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 849, 850, 851,
 &end
#
#  102 HIS  HD2         100 ALA  MB          4.50    (#    201:20  Unique         2.91, 3.90 A)
 &rst
  ixpk= 201, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    0 AMB  20-2:203    100 ALA  MB          3.50    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1124,1125,1525,1508,
 igr2=1500,1501,1502,
 &end
#
#   73 CYS  HB-         100 ALA  MB          5.50    (#    204:20  Unique         6.00, 7.73 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1096,1097,
 igr2=1500,1501,1502,
 &end
#
#   77 GLY  HA+         100 ALA  MB          5.50    (#    205:20  Unique         4.36, 5.84 A)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1138,1139,
 igr2=1500,1501,1502,
 &end
#
#  100 ALA  HA          100 ALA  MB          2.80    (#    208:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 208, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#   23 VAL  HA          100 ALA  MB          4.50    (#    209:20  Unique         4.10, 4.90 A)
 &rst
  ixpk= 209, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    0 AMB  20-2:211      0 AMB  20-1:211    4.50    (#    211:20  Double Ambig)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 843, 831,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#    0 AMB  20-2:212    100 ALA  MB          2.80    (#    212:20  Single Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1506, 346,
 igr2=1500,1501,1502,
 &end
#
#  100 ALA  HN          100 ALA  MB          2.80    (#    214:20  Unique         2.25, 2.86 A)
 &rst
  ixpk= 214, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1500,1501,1502,
 &end
#
#   24 LEU  HB-         100 ALA  MB          2.80    (#    215:20  Unique         2.36, 3.11 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 350, 351,
 igr2=1500,1501,1502,
 &end
#
#    2 ALA  HN            2 ALA  MB          4.50    (#    216:20  Unique         2.47, 3.10 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#  101 GLN  HG-         100 ALA  MB          4.50    (#    217:20  Unique         5.09, 6.44 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1513,1514,
 igr2=1500,1501,1502,
 &end
#
#   49 TRP  HZ3           0 AMB  20-1:218    4.50    (#    218:20  Single Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 762, 763, 764, 849, 850, 851,
 &end
#
#   24 LEU  HA          100 ALA  MB          4.50    (#    219:20  Unique         4.90, 5.42 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#    0 AMB  20-2:220    100 ALA  MB          3.50    (#    220:20  Single Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 319, 324,1533,
 igr2=1500,1501,1502,
 &end
#
#    0 AMB  20-2:221    100 ALA  MB          3.50    (#    221:20  Single Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1131,1132,1124,1125,
 igr2=1500,1501,1502,
 &end
#
#   24 LEU  HB+         100 ALA  MB          3.50    (#    222:20  Unique         2.36, 3.11 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 350, 351,
 igr2=1500,1501,1502,
 &end
#
#  101 GLN  HB-         100 ALA  MB          4.50    (#    223:20  Unique         4.30, 5.89 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1510,1511,
 igr2=1500,1501,1502,
 &end
#
#    0 AMB  20-2:224    100 ALA  MB          5.50    (#    224:20  Single Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1138,1139,1573,
 igr2=1500,1501,1502,
 &end
#
#    2 ALA  HA            2 ALA  MB          4.50    (#    226:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 226, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:227    100 ALA  MB          5.50    (#    227:20  Single Ambig)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1510,1511,1554,1355,
 igr2=1500,1501,1502,
 &end
#
#   51 GLU  HB+          50 ALA  MB          5.50    (#    228:20  Unique         6.07, 6.93 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 772, 773,
 igr2= 762, 763, 764,
 &end
#
#    3 VAL  HN            2 ALA  MB          4.50    (#    231:20  Unique         2.19, 3.28 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  25,  26,  27,
 &end
#
#  102 HIS  HN          100 ALA  MB          5.50    (#    233:20  Unique         3.70, 4.38 A)
 &rst
  ixpk= 233, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1500,1501,1502,
 &end
#
#   76 GLY  HN          100 ALA  MB          4.50    (#    234:20  Unique         3.06, 4.04 A)
 &rst
  ixpk= 234, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1500,1501,1502,
 &end
#
#   55 ASP  HB3          50 ALA  MB          3.50    (#    235:20  Unique         2.26, 2.96 A)
 &rst
  ixpk= 235, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#   43 ILE  QD1          64 MET  ME          2.80    (#    236:20  Unique         3.40, 4.41 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 638, 639, 640,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:239     64 MET  ME          3.50    (#    239:20  Single Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1026,1027,1024,1047,
 igr2= 974, 975, 976,
 &end
#
#   64 MET  HG-          64 MET  ME          3.50    (#    240:20  Unique         2.41, 3.51 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 970, 971,
 igr2= 974, 975, 976,
 &end
#
#   64 MET  HG+          64 MET  ME          2.80    (#    241:20  Unique         2.41, 3.51 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 970, 971,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:242     64 MET  ME          5.50    (#    242:20  Single Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 601, 602,1048,
 igr2= 974, 975, 976,
 &end
#
#   63 ASP  HB3          64 MET  ME          4.50    (#    243:20  Unique         3.07, 3.65 A)
 &rst
  ixpk= 243, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:244     64 MET  ME          4.50    (#    244:20  Single Ambig)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 919, 670, 671,
 igr2= 974, 975, 976,
 &end
#
#   64 MET  HA           64 MET  ME          3.50    (#    245:20  Unique         2.17, 3.23 A)
 &rst
  ixpk= 245, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:246     64 MET  ME          2.80    (#    246:20  Single Ambig)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 123, 124, 125, 130, 131, 132,
 igr2= 974, 975, 976,
 &end
#
#   67 GLN  HE2+         64 MET  ME          4.50    (#    247:20  Unique         2.42, 3.15 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1031,1032,
 igr2= 974, 975, 976,
 &end
#
#   67 GLN  HN           64 MET  ME          4.50    (#    248:20  Unique         4.77, 5.85 A)
 &rst
  ixpk= 248, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:249     64 MET  ME          5.50    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 980, 917,
 igr2= 974, 975, 976,
 &end
#
#   64 MET  HN           64 MET  ME          4.50    (#    250:20  Unique         3.00, 3.81 A)
 &rst
  ixpk= 250, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:251     64 MET  ME          2.80    (#    251:20  Single Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 923, 924, 925, 927, 928, 929, 414, 415, 416, 418,
       419, 420,
 igr2= 974, 975, 976,
 &end
#
#    9 ILE  HG1+         64 MET  ME          3.50    (#    252:20  Unique         3.77, 5.49 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 127, 128,
 igr2= 974, 975, 976,
 &end
#
#   47 TYR  HD           50 ALA  MB          5.50    (#    254:20  Unique         3.52, 5.97 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 699, 708,
 igr2= 762, 763, 764,
 &end
#
#    0 AMB  20-2:256     50 ALA  MB          3.50    (#    256:20  Single Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 843, 831,
 igr2= 762, 763, 764,
 &end
#
#   50 ALA  HA           50 ALA  MB          2.80    (#    258:20  Unique         2.38, 2.62 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 762, 763, 764,
 &end
#
#    3 VAL  HA            2 ALA  MB          7.00    (#    259:20  Unique         4.46, 5.22 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  25,  26,  27,
 &end
#
#  119 THR  HN          119 THR  HB          4.50    (#    260:20  Unique         3.76, 3.79 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1803,1807, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HN           50 ALA  MB          4.50    (#    262:20  Unique         4.17, 4.44 A)
 &rst
  ixpk= 262, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#   50 ALA  HN           50 ALA  MB          2.80    (#    264:20  Unique         2.41, 3.00 A)
 &rst
  ixpk= 264, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 762, 763, 764,
 &end
#
#   52 TYR  HN           50 ALA  MB          5.50    (#    265:20  Unique         3.20, 4.12 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#   55 ASP  HB2          50 ALA  MB          3.50    (#    266:20  Unique         3.80, 4.53 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 762, 763, 764,
 &end
#
#   10 PRO  HD-          64 MET  ME          4.50    (#    267:20  Unique         2.47, 4.90 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 137, 138,
 igr2= 974, 975, 976,
 &end
#
#  120 TRP  HN          119 THR  HB          2.80    (#    268:20  Unique         2.27, 2.35 A)
 &rst
  ixpk= 268, nxpk= 20, iat=1817,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 ILE  HG1-         50 ALA  MB          2.80    (#    269:20  Unique         2.23, 3.67 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 853, 854,
 igr2= 762, 763, 764,
 &end
#
#   67 GLN  HE2-         64 MET  ME          5.50    (#    270:20  Unique         2.42, 3.15 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1031,1032,
 igr2= 974, 975, 976,
 &end
#
#   56 ILE  HG1+         50 ALA  MB          2.80    (#    271:20  Unique         2.23, 3.67 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 853, 854,
 igr2= 762, 763, 764,
 &end
#
#   60 VAL  MGY          64 MET  ME          4.50    (#    272:20  Unique         2.93, 5.95 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 974, 975, 976,
 &end
#
#  119 THR  MG2         119 THR  HB          2.80    (#    273:20  Unique         2.41, 2.64 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1809,1810,1811,
 &end
#
#  119 THR  HA          119 THR  HB          2.80    (#    274:20  Unique         2.57, 2.60 A)
 &rst
  ixpk= 274, nxpk= 20, iat=1805,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 HIS  HE1         119 THR  HB          5.50    (#    277:20  Unique         3.15, 3.24 A)
 &rst
  ixpk= 277, nxpk= 20, iat=1344,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 TYR  HN           50 ALA  MB          5.50    (#    279:20  Unique         2.79, 4.02 A)
 &rst
  ixpk= 279, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 &end
#
#    0 AMB  20-2:283     50 ALA  MB          5.50    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 686, 687, 785,
 igr2= 762, 763, 764,
 &end
#
#    5 ASP  HN            4 ALA  MB          3.50    (#    290:20  Unique         2.12, 3.17 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#    4 ALA  HN            4 ALA  MB          2.80    (#    292:20  Unique         2.49, 3.10 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#    6 LEU  HN            4 ALA  MB          5.50    (#    293:20  Unique         5.92, 6.76 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    4 ALA  HA            4 ALA  MB          2.80    (#    295:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 295, nxpk= 20, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  20-2:297     38 ALA  MB          5.50    (#    297:20  Single Ambig)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 569, 570, 569, 570,
 igr2= 556, 557, 558,
 &end
#
#   37 ALA  HA           37 ALA  MB          2.80    (#    299:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 546, 547, 548,
 &end
#
#    0 AMB  20-2:304      4 ALA  MB          4.50    (#    304:20  Single Ambig)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  33, 137, 138,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  20-2:305      4 ALA  MB          3.50    (#    305:20  Single Ambig)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1024,1026,1027,
 igr2=  51,  52,  53,
 &end
#
#    7 ALA  HN            4 ALA  MB          7.00    (#    306:20  Unique         6.50, 7.75 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  20-2:307      4 ALA  MB          4.50    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,
 igr2=  51,  52,  53,
 &end
#
#   38 ALA  HN           37 ALA  MB          3.50    (#    308:20  Unique         2.40, 3.38 A)
 &rst
  ixpk= 308, nxpk= 20, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 546, 547, 548,
 &end
#
#   29 SER  HN           38 ALA  MB          5.50    (#    309:20  Unique         5.48, 6.15 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#   37 ALA  HN           38 ALA  MB          5.50    (#    311:20  Unique         5.05, 6.47 A)
 &rst
  ixpk= 311, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#   68 GLY  HA-           4 ALA  MB          7.00    (#    312:20  Unique         5.64, 7.85 A)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1038,1039,
 igr2=  51,  52,  53,
 &end
#
#   38 ALA  HA           38 ALA  MB          2.80    (#    314:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 314, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 556, 557, 558,
 &end
#
#   37 ALA  HN           37 ALA  MB          3.50    (#    318:20  Unique         2.42, 3.03 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 546, 547, 548,
 &end
#
#   28 HIS  HB3          38 ALA  MB          5.50    (#    319:20  Unique         4.64, 6.34 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
#    0 AMB  20-2:320      4 ALA  MB          4.50    (#    320:20  Single Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  20-2:328    109 ILE  QG2         2.80    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799, 168, 169, 170, 172, 173, 174,
 igr2=1637,1638,1639,
 &end
#
#  109 ILE  QD1         109 ILE  QG2         3.50    (#    330:20  Unique         2.22, 3.80 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1644,1645,1646,
 igr2=1637,1638,1639,
 &end
#
#    0 AMB  20-2:331    109 ILE  QG2         5.50    (#    331:20  Single Ambig)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1739,1631,
 igr2=1637,1638,1639,
 &end
#
#  109 ILE  HA          109 ILE  QG2         4.50    (#    332:20  Unique         2.62, 3.30 A)
 &rst
  ixpk= 332, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1637,1638,1639,
 &end
#
#    0 AMB  20-2:335    109 ILE  QG2         4.50    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1732,1733,1635,
 igr2=1637,1638,1639,
 &end
#
#  109 ILE  HG1+        109 ILE  QG2         5.50    (#    336:20  Unique         2.39, 3.47 A)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1641,1642,
 igr2=1637,1638,1639,
 &end
#
#   24 LEU  HN           23 VAL  MGY         5.50    (#    337:20  Unique         2.19, 3.64 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:339     23 VAL  MGY         5.50    (#    339:20  Single Ambig)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 862,1129,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   45 ARG  HB2          23 VAL  MGY         3.50    (#    340:20  Unique         2.46, 4.96 A)
 &rst
  ixpk= 340, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:341     23 VAL  MGY         2.80    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 847, 334,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:342     23 VAL  MGY         3.50    (#    342:20  Single Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1096,1097, 923, 924, 925, 927, 928, 929,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   23 VAL  HA           23 VAL  MGY         4.50    (#    343:20  Unique         2.40, 3.49 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   57 TYR  HD           23 VAL  MGY         4.50    (#    344:20  Unique         3.97, 5.87 A)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 870, 879,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:345     23 VAL  MGY         3.50    (#    345:20  Single Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 330, 365,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   60 VAL  HB           23 VAL  MGY         5.50    (#    347:20  Unique         4.31, 5.96 A)
 &rst
  ixpk= 347, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   45 ARG  HN           23 VAL  MGY         4.50    (#    348:20  Unique         3.79, 5.53 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   57 TYR  HA           23 VAL  MGY         4.50    (#    349:20  Unique         2.78, 4.21 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:350     23 VAL  MGY         3.50    (#    350:20  Single Ambig)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854, 369,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   57 TYR  HB2          23 VAL  MGY         5.50    (#    351:20  Unique         2.31, 3.73 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   22 TYR  HA           23 VAL  MGY         5.50    (#    352:20  Unique         3.96, 5.76 A)
 &rst
  ixpk= 352, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   56 ILE  HG1+         23 VAL  MGY         5.50    (#    355:20  Unique         2.42, 4.55 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 853, 854,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   32 ARG  HG+           3 VAL  MGX         5.50    (#    356:20  Unique         4.04, 5.80 A)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 483, 484,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    3 VAL  HN            3 VAL  MGX         3.50    (#    359:20  Unique         2.13, 3.99 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    2 ALA  HA            3 VAL  MGX         5.50    (#    362:20  Unique         3.29, 5.69 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#   35 ALA  MB            3 VAL  MGX         3.50    (#    363:20  Unique         2.57, 6.22 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523, 524,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    3 VAL  HA            3 VAL  MGX         3.50    (#    367:20  Unique         2.49, 3.17 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#  105 SER  HA           44 VAL  MGX         5.50    (#    370:20  Unique         2.16, 3.37 A)
 &rst
  ixpk= 370, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#  105 SER  HB3          44 VAL  MGX         5.50    (#    372:20  Unique         2.95, 4.02 A)
 &rst
  ixpk= 372, nxpk= 20, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   45 ARG  HN           44 VAL  MGX         3.50    (#    373:20  Unique         3.29, 4.55 A)
 &rst
  ixpk= 373, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   22 TYR  HD           44 VAL  MGX         5.50    (#    375:20  Unique         2.37, 6.14 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 317, 326,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   79 ILE  QD1          44 VAL  MGX         3.50    (#    376:20  Unique         4.08, 6.80 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1180,1181,1182,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  20-2:378     44 VAL  MGX         5.50    (#    378:20  Single Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 627, 662,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#  109 ILE  QD1          44 VAL  MGX         2.80    (#    379:20  Unique         2.18, 4.96 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1644,1645,1646,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   79 ILE  HG1-         44 VAL  MGX         5.50    (#    380:20  Unique         5.81, 7.67 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1177,1178,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   44 VAL  HN           44 VAL  MGX         4.50    (#    382:20  Unique         2.72, 4.10 A)
 &rst
  ixpk= 382, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   22 TYR  HB+          44 VAL  MGX         5.50    (#    385:20  Unique         4.56, 6.99 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 313, 314,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   12 VAL  HA           44 VAL  MGX         4.50    (#    386:20  Unique         3.76, 4.92 A)
 &rst
  ixpk= 386, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   20 PHE  HN           19 VAL  MG2         4.50    (#    388:20  Unique         4.61, 5.21 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 261, 262, 263,
 &end
#
#    0 AMB  20-2:389     44 VAL  MGX         2.80    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 648,1554,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   20 PHE  HA           19 VAL  MG2         7.00    (#    390:20  Unique         6.48, 6.71 A)
 &rst
  ixpk= 390, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 261, 262, 263,
 &end
#
#   19 VAL  HN           19 VAL  MG2         3.50    (#    391:20  Unique         2.28, 3.84 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 261, 262, 263,
 &end
#
#   19 VAL  HA           19 VAL  MG2         2.80    (#    392:20  Unique         2.57, 3.24 A)
 &rst
  ixpk= 392, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 261, 262, 263,
 &end
#
#   80 SER  HB+          19 VAL  MG2         3.50    (#    396:20  Unique         2.18, 4.19 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,
 igr2= 261, 262, 263,
 &end
#
#    0 AMB  20-2:397      0 AMB  20-1:397    2.80    (#    397:20  Double Ambig)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 480, 481, 648, 255, 469, 470,
 igr2=  37,  38,  39,  41,  42,  43, 650, 651, 652, 654,
       655, 656, 261, 262, 263,
 &end
#
#   13 ASP  HN           44 VAL  MGX         5.50    (#    399:20  Unique         3.94, 5.77 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  20-2:401      0 AMB  20-1:401    2.80    (#    401:20  Double Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  35, 847,
 igr2=  37,  38,  39,  41,  42,  43, 923, 924, 925, 927,
       928, 929,
 &end
#
#    3 VAL  HN            3 VAL  MGY         4.50    (#    402:20  Unique         2.13, 3.99 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#   78 ARG  HD-          19 VAL  MG1         4.50    (#    404:20  Unique         2.31, 3.57 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1153,1154,
 igr2= 257, 258, 259,
 &end
#
#   91 TYR  HE           19 VAL  MG1         5.50    (#    406:20  Unique         4.21, 6.75 A)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1377,1382,
 igr2= 257, 258, 259,
 &end
#
#  119 THR  HA          118 VAL  MGY         5.50    (#    407:20  Unique         3.88, 5.68 A)
 &rst
  ixpk= 407, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:408     90 VAL  MGY         4.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    3 VAL  HA            3 VAL  MGY         3.50    (#    409:20  Unique         2.49, 3.17 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#   78 ARG  HD+          19 VAL  MG1         5.50    (#    410:20  Unique         2.31, 3.57 A)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1153,1154,
 igr2= 257, 258, 259,
 &end
#
#   26 ARG  HB2          74 LEU  MDY         4.50    (#    411:20  Unique         2.35, 3.42 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    0 AMB  20-2:412      0 AMB  20-1:412    4.50    (#    412:20  Double Ambig)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1315,1167,
 igr2=1793,1794,1795,1797,1798,1799, 257, 258, 259,
 &end
#
#   19 VAL  HA           19 VAL  MG1         3.50    (#    416:20  Unique         2.51, 3.15 A)
 &rst
  ixpk= 416, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 257, 258, 259,
 &end
#
#   91 TYR  HN           90 VAL  MGY         5.50    (#    417:20  Unique         2.87, 4.55 A)
 &rst
  ixpk= 417, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:418      0 AMB  20-1:418    3.50    (#    418:20  Double Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1150,1151,1300,1301,
 igr2= 257, 258, 259,1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:419     90 VAL  MGY         4.50    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 313, 314,1821,1822,1821,1822,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:421      0 AMB  20-1:421    2.80    (#    421:20  Double Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 255,1660,1661,
 igr2= 257, 258, 259,1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:422      0 AMB  20-1:422    4.50    (#    422:20  Double Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1351, 251,
 igr2=1793,1794,1795,1797,1798,1799, 257, 258, 259,
 &end
#
#   20 PHE  HA           19 VAL  MG1         5.50    (#    425:20  Unique         3.37, 4.61 A)
 &rst
  ixpk= 425, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 257, 258, 259,
 &end
#
#   20 PHE  HN           19 VAL  MG1         3.50    (#    426:20  Unique         2.93, 3.76 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 257, 258, 259,
 &end
#
#   74 LEU  HB2          74 LEU  MDY         3.50    (#    427:20  Unique         2.51, 3.56 A)
 &rst
  ixpk= 427, nxpk= 20, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#  106 THR  HA           90 VAL  MGY         5.50    (#    429:20  Unique         3.96, 5.88 A)
 &rst
  ixpk= 429, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   61 SER  HA           60 VAL  MGX         4.50    (#    430:20  Unique         3.70, 5.77 A)
 &rst
  ixpk= 430, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  20-2:431      0 AMB  20-1:431    3.50    (#    431:20  Double Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 667, 668, 522, 523, 524,1616,1617,
 igr2= 923, 924, 925, 927, 928, 929,  37,  38,  39,  41,
        42,  43, 650, 651, 652, 654, 655, 656,
 &end
#
#   90 VAL  HB           90 VAL  MGY         3.50    (#    432:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 432, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:433     74 LEU  MDY         2.80    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108, 389,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   79 ILE  QD1          90 VAL  MGY         3.50    (#    434:20  Unique         3.44, 5.34 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1180,1181,1182,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   26 ARG  HD+          74 LEU  MDY         5.50    (#    435:20  Unique         2.58, 4.92 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 394, 395,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   74 LEU  HN           74 LEU  MDY         4.50    (#    436:20  Unique         3.47, 4.48 A)
 &rst
  ixpk= 436, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#  106 THR  MG2          90 VAL  MGY         3.50    (#    438:20  Unique         3.06, 5.61 A)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1586,1587,1588,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   89 HIS  HA           90 VAL  MGY         4.50    (#    439:20  Unique         3.27, 5.40 A)
 &rst
  ixpk= 439, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   74 LEU  HG           74 LEU  MDY         2.80    (#    441:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 441, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#  109 ILE  QD1          90 VAL  MGY         2.80    (#    443:20  Unique         2.61, 4.88 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1644,1645,1646,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   90 VAL  HN           90 VAL  MGY         3.50    (#    444:20  Unique         2.55, 4.10 A)
 &rst
  ixpk= 444, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   74 LEU  HA           74 LEU  MDY         2.80    (#    445:20  Unique         2.25, 3.77 A)
 &rst
  ixpk= 445, nxpk= 20, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   72 GLU  HB+          74 LEU  MDY         3.50    (#    447:20  Unique         3.37, 6.42 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1081,1082,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    0 AMB  20-2:449     74 LEU  MDY         3.50    (#    449:20  Single Ambig)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1084,1085,1084,1085,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   90 VAL  HA           90 VAL  MGY         3.50    (#    450:20  Unique         2.43, 3.18 A)
 &rst
  ixpk= 450, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   64 MET  HB2          60 VAL  MGX         5.50    (#    451:20  Unique         4.40, 6.84 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   79 ILE  HG1-         90 VAL  MGY         5.50    (#    452:20  Unique         2.29, 3.82 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1177,1178,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:454     90 VAL  MGY         4.50    (#    454:20  Single Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1525,1584,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   44 VAL  HA           44 VAL  MGY         2.80    (#    455:20  Unique         2.53, 3.22 A)
 &rst
  ixpk= 455, nxpk= 20, iat= 646,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#   44 VAL  HN           44 VAL  MGY         3.50    (#    456:20  Unique         2.72, 4.10 A)
 &rst
  ixpk= 456, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#  120 TRP  HA           90 VAL  MGY         5.50    (#    459:20  Unique         4.24, 5.51 A)
 &rst
  ixpk= 459, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   26 ARG  HN           74 LEU  MDY         4.50    (#    460:20  Unique         3.85, 4.78 A)
 &rst
  ixpk= 460, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    0 AMB  20-2:462     60 VAL  MGX         3.50    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 902, 903, 665,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#  105 SER  HB3          44 VAL  MGY         3.50    (#    463:20  Unique         2.95, 4.02 A)
 &rst
  ixpk= 463, nxpk= 20, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#  109 ILE  QD1          44 VAL  MGY         4.50    (#    465:20  Unique         2.18, 4.96 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1644,1645,1646,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#  102 HIS  HD2          44 VAL  MGY         5.50    (#    467:20  Unique         5.93, 7.18 A)
 &rst
  ixpk= 467, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  20-2:469      0 AMB  20-1:469    3.50    (#    469:20  Double Ambig)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1571, 670, 671,
 igr2= 650, 651, 652, 654, 655, 656, 923, 924, 925, 927,
       928, 929,
 &end
#
#    0 AMB  20-2:471      0 AMB  20-1:471    3.50    (#    471:20  Double Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1190,1191,1652,
 igr2= 257, 258, 259,1793,1794,1795,1797,1798,1799,
 &end
#
#   64 MET  HG+          60 VAL  MGX         3.50    (#    472:20  Unique         2.49, 5.25 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 970, 971,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   64 MET  HG-          60 VAL  MGX         3.50    (#    473:20  Unique         2.49, 5.25 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 970, 971,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   60 VAL  HN           60 VAL  MGX         4.50    (#    474:20  Unique         2.17, 3.79 A)
 &rst
  ixpk= 474, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  20-2:475      0 AMB  20-1:475    2.80    (#    475:20  Double Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 638, 639, 640,1641,1642,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#  117 GLU  HA          118 VAL  MGY         4.50    (#    476:20  Unique         2.93, 4.86 A)
 &rst
  ixpk= 476, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:477     27 VAL  MGY         4.50    (#    477:20  Single Ambig)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 386, 426,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   43 ILE  HN           27 VAL  MGY         5.50    (#    478:20  Unique         3.41, 5.93 A)
 &rst
  ixpk= 478, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#  118 VAL  HN          119 THR  MG2         5.50    (#    481:20  Unique         4.17, 5.30 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1809,1810,1811,
 &end
#
#   61 SER  HN           60 VAL  MGX         4.50    (#    484:20  Unique         3.65, 4.66 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#  117 GLU  HG+         119 THR  MG2         3.50    (#    485:20  Unique         2.99, 5.21 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1779,1780,
 igr2=1809,1810,1811,
 &end
#
#  117 GLU  HG-         119 THR  MG2         3.50    (#    486:20  Unique         2.99, 5.21 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1779,1780,
 igr2=1809,1810,1811,
 &end
#
#   27 VAL  HN           27 VAL  MGY         2.80    (#    487:20  Unique         2.83, 4.20 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   64 MET  HG+          27 VAL  MGY         4.50    (#    488:20  Unique         2.54, 4.39 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 970, 971,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#  118 VAL  HB          118 VAL  MGY         2.80    (#    489:20  Unique         2.33, 2.63 A)
 &rst
  ixpk= 489, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#  119 THR  HN          119 THR  MG2         3.50    (#    490:20  Unique         3.49, 4.27 A)
 &rst
  ixpk= 490, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1809,1810,1811,
 &end
#
#  119 THR  HB          119 THR  MG2         2.80    (#    493:20  Unique         2.41, 2.64 A)
 &rst
  ixpk= 493, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1809,1810,1811,
 &end
#
#  118 VAL  HN          118 VAL  MGY         3.50    (#    494:20  Unique         2.47, 3.78 A)
 &rst
  ixpk= 494, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:495     27 VAL  MGY         4.50    (#    495:20  Single Ambig)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441, 963,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#  119 THR  HA          119 THR  MG2         2.80    (#    496:20  Unique         2.38, 3.01 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1809,1810,1811,
 &end
#
#  120 TRP  HN          119 THR  MG2         3.50    (#    497:20  Unique         3.76, 4.39 A)
 &rst
  ixpk= 497, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1809,1810,1811,
 &end
#
#    0 AMB  20-2:499      0 AMB  20-1:499    2.80    (#    499:20  Double Ambig)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 412,1641,1642,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  118 VAL  HA          118 VAL  MGY         3.50    (#    500:20  Unique         2.29, 3.48 A)
 &rst
  ixpk= 500, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:501      0 AMB  20-1:501    2.80    (#    501:20  Double Ambig)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1357,1358,1359,1361,1362,1363, 638, 639, 640,1321,
      1322,1323,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    0 AMB  20-2:503     27 VAL  MGY         4.50    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 386, 426,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    0 AMB  20-2:505      0 AMB  20-1:505    4.50    (#    505:20  Double Ambig)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 967,1776,1777,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  118 VAL  HA          119 THR  MG2         4.50    (#    506:20  Unique         4.01, 5.15 A)
 &rst
  ixpk= 506, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1809,1810,1811,
 &end
#
#   69 CYS  HB2          27 VAL  MGY         3.50    (#    507:20  Unique         2.99, 4.80 A)
 &rst
  ixpk= 507, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   27 VAL  HA           27 VAL  MGY         3.50    (#    509:20  Unique         2.36, 3.22 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    6 LEU  MDY          27 VAL  MGY         2.80    (#    510:20  Unique         2.60, 6.29 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   69 CYS  HB3          27 VAL  MGY         3.50    (#    511:20  Unique         2.33, 4.11 A)
 &rst
  ixpk= 511, nxpk= 20, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   71 CYS  HA           27 VAL  MGY         5.50    (#    512:20  Unique         4.01, 5.16 A)
 &rst
  ixpk= 512, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   64 MET  HG-          27 VAL  MGY         4.50    (#    515:20  Unique         2.54, 4.39 A)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 970, 971,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    0 AMB  20-2:516      0 AMB  20-1:516    2.80    (#    516:20  Double Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 424,1650,
 igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
      1798,1799,
 &end
#
#    0 AMB  20-2:518    118 VAL  MGX         4.50    (#    518:20  Single Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1631,1351,1739,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   43 ILE  HG1-         27 VAL  MGY         3.50    (#    521:20  Unique         2.30, 5.14 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 635, 636,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#   41 LYS  HN           27 VAL  MGY         4.50    (#    522:20  Unique         4.84, 5.60 A)
 &rst
  ixpk= 522, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 414, 415, 416, 418, 419, 420,
 &end
#
#    0 AMB  20-2:528      0 AMB  20-1:528    5.50    (#    528:20  Double Ambig)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1295, 579,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#    0 AMB  20-2:529      0 AMB  20-1:529    2.80    (#    529:20  Double Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1791, 466, 467,
 igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
       419, 420,
 &end
#
#  106 THR  HB          118 VAL  MGX         3.50    (#    530:20  Unique         3.04, 5.36 A)
 &rst
  ixpk= 530, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#  118 VAL  HA          118 VAL  MGX         2.80    (#    531:20  Unique         2.29, 3.48 A)
 &rst
  ixpk= 531, nxpk= 20, iat=1789,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#  109 ILE  QD1         118 VAL  MGX         4.50    (#    532:20  Unique         2.28, 4.75 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1644,1645,1646,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#  106 THR  HA          118 VAL  MGX         3.50    (#    533:20  Unique         2.09, 3.80 A)
 &rst
  ixpk= 533, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#  119 THR  HN          118 VAL  MGX         4.50    (#    534:20  Unique         2.36, 4.30 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    4 ALA  MB            8 LEU  MDY         4.50    (#    537:20  Unique         2.51, 6.31 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   47 TYR  HE           60 VAL  MGY         4.50    (#    538:20  Unique         3.42, 6.88 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 701, 706,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   61 SER  HN           60 VAL  MGY         4.50    (#    542:20  Unique         3.65, 4.66 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   60 VAL  HN           60 VAL  MGY         2.80    (#    545:20  Unique         2.17, 3.79 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  20-2:546     60 VAL  MGY         2.80    (#    546:20  Single Ambig)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 667, 668, 375, 376,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   45 ARG  HD-          60 VAL  MGY         5.50    (#    547:20  Unique         2.28, 4.73 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 670, 671,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  20-2:548     60 VAL  MGY         2.80    (#    548:20  Single Ambig)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 670, 671, 919,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   45 ARG  HG+          60 VAL  MGY         3.50    (#    549:20  Unique         2.08, 3.55 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 667, 668,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   59 LYS  HB+          60 VAL  MGY         3.50    (#    550:20  Unique         2.86, 6.09 A)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 899, 900,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   60 VAL  HB           60 VAL  MGY         2.80    (#    552:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#   45 ARG  HB2          60 VAL  MGY         3.50    (#    553:20  Unique         2.57, 4.40 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  20-2:554    106 THR  MG2         5.50    (#    554:20  Single Ambig)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1841,
 igr2=1586,1587,1588,
 &end
#
#    7 ALA  MB            8 LEU  MDY         3.50    (#    555:20  Unique         3.62, 6.26 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,  94,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:558      8 LEU  MDY         3.50    (#    558:20  Single Ambig)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  98, 117,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 LEU  HA            8 LEU  MDY         2.80    (#    559:20  Unique         2.21, 3.85 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:560    106 THR  MG2         5.50    (#    560:20  Single Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1351,1631,
 igr2=1586,1587,1588,
 &end
#
#    0 AMB  20-2:562     60 VAL  MGY         3.50    (#    562:20  Single Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 902, 903, 665,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#    8 LEU  HG            8 LEU  MDY         2.80    (#    564:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 LEU  HB-           8 LEU  MDY         3.50    (#    565:20  Unique         2.44, 3.33 A)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:567     60 VAL  MGY         4.50    (#    567:20  Single Ambig)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 895, 751,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#  118 VAL  MGX         106 THR  MG2         2.80    (#    569:20  Unique         2.21, 4.83 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1586,1587,1588,
 &end
#
#    0 AMB  20-2:571    106 THR  MG2         3.50    (#    571:20  Single Ambig)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1355,1660,1661,
 igr2=1586,1587,1588,
 &end
#
#    0 AMB  20-2:572    106 THR  MG2         3.50    (#    572:20  Single Ambig)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1657,1658,1660,1661,1635,
 igr2=1586,1587,1588,
 &end
#
#  106 THR  HN          106 THR  MG2         3.50    (#    573:20  Unique         2.46, 3.53 A)
 &rst
  ixpk= 573, nxpk= 20, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1586,1587,1588,
 &end
#
#  105 SER  HN          106 THR  MG2         5.50    (#    574:20  Unique         5.11, 6.30 A)
 &rst
  ixpk= 574, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#  120 TRP  HD1         106 THR  MG2         2.80    (#    575:20  Unique         2.30, 3.38 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#    5 ASP  HB+           8 LEU  MDY         5.50    (#    576:20  Unique         2.56, 4.91 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#  106 THR  HB          106 THR  MG2         2.80    (#    577:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 577, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#  118 VAL  HB          106 THR  MG2         4.50    (#    578:20  Unique         2.42, 3.82 A)
 &rst
  ixpk= 578, nxpk= 20, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1586,1587,1588,
 &end
#
#  106 THR  HA          106 THR  MG2         2.80    (#    579:20  Unique         2.35, 2.88 A)
 &rst
  ixpk= 579, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1586,1587,1588,
 &end
#
#  110 LYS  HG-         106 THR  MG2         4.50    (#    580:20  Unique         4.22, 6.06 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1657,1658,
 igr2=1586,1587,1588,
 &end
#
#   90 VAL  MGY         106 THR  MG2         3.50    (#    581:20  Unique         3.06, 5.61 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1586,1587,1588,
 &end
#
#  102 HIS  HB3         106 THR  MG2         5.50    (#    582:20  Unique         3.71, 5.07 A)
 &rst
  ixpk= 582, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#  120 TRP  HA          106 THR  MG2         5.50    (#    583:20  Unique         4.04, 4.57 A)
 &rst
  ixpk= 583, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#  109 ILE  QD1         106 THR  MG2         5.50    (#    584:20  Unique         4.57, 6.38 A)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1644,1645,1646,
 igr2=1586,1587,1588,
 &end
#
#    0 AMB  20-2:585    106 THR  MG2         2.80    (#    585:20  Single Ambig)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1821,1822,1821,1822,1663,1664,
 igr2=1586,1587,1588,
 &end
#
#  109 ILE  QD1          12 VAL  MGX         4.50    (#    586:20  Unique         3.77, 5.75 A)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1644,1645,1646,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:588    106 THR  MG2         4.50    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1594,1344,
 igr2=1586,1587,1588,
 &end
#
#   90 VAL  MGX         106 THR  MG2         3.50    (#    589:20  Unique         3.06, 5.61 A)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1586,1587,1588,
 &end
#
#  120 TRP  HE1         106 THR  MG2         5.50    (#    590:20  Unique         4.49, 5.55 A)
 &rst
  ixpk= 590, nxpk= 20, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1586,1587,1588,
 &end
#
#   90 VAL  HN           90 VAL  MGX         5.50    (#    591:20  Unique         2.55, 4.10 A)
 &rst
  ixpk= 591, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   91 TYR  HN           90 VAL  MGX         3.50    (#    592:20  Unique         2.87, 4.55 A)
 &rst
  ixpk= 592, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#  102 HIS  HB3          90 VAL  MGX         4.50    (#    593:20  Unique         3.02, 4.31 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:594     90 VAL  MGX         4.50    (#    594:20  Single Ambig)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1821,1822,1821,1822,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   44 VAL  HN           12 VAL  MGX         4.50    (#    595:20  Unique         3.29, 4.94 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#  109 ILE  QG2         106 THR  MG2         5.50    (#    599:20  Unique         5.52, 7.27 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1637,1638,1639,
 igr2=1586,1587,1588,
 &end
#
#   79 ILE  QD1          90 VAL  MGX         4.50    (#    600:20  Unique         3.44, 5.34 A)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1180,1181,1182,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   42 GLU  HA           24 LEU  MDY         5.50    (#    602:20  Unique         3.55, 5.47 A)
 &rst
  ixpk= 602, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   43 ILE  HN           24 LEU  MDY         4.50    (#    603:20  Unique         3.04, 5.08 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   90 VAL  HA           90 VAL  MGX         3.50    (#    605:20  Unique         2.43, 3.18 A)
 &rst
  ixpk= 605, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   90 VAL  HB           90 VAL  MGX         2.80    (#    606:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 606, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#  102 HIS  HD2          90 VAL  MGX         3.50    (#    607:20  Unique         2.17, 4.23 A)
 &rst
  ixpk= 607, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#  106 THR  MG2          90 VAL  MGX         5.50    (#    608:20  Unique         3.06, 5.61 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1586,1587,1588,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:609     90 VAL  MGX         3.50    (#    609:20  Single Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1525,1584,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:611     90 VAL  MGX         3.50    (#    611:20  Single Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1177,1178,1644,1645,1646,1173,1174,1175,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:614     90 VAL  MGX         4.50    (#    614:20  Single Ambig)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1573,1138,1139,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#  105 SER  HB3          90 VAL  MGX         4.50    (#    615:20  Unique         2.65, 4.02 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1574,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   24 LEU  HA           24 LEU  MDY         2.80    (#    616:20  Unique         2.26, 3.64 A)
 &rst
  ixpk= 616, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   24 LEU  HG           24 LEU  MDY         2.80    (#    617:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:618     24 LEU  MDY         2.80    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 614, 615, 350, 351,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:619     24 LEU  MDY         4.50    (#    619:20  Single Ambig)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1571,1552,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:620     12 VAL  MGX         3.50    (#    620:20  Single Ambig)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1695,1696, 154, 155,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   11 ASP  HB-          12 VAL  MGX         4.50    (#    621:20  Unique         2.56, 5.70 A)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 154, 155,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#  109 ILE  HA           12 VAL  MGX         2.80    (#    622:20  Unique         2.23, 3.79 A)
 &rst
  ixpk= 622, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:623     12 VAL  MGX         3.50    (#    623:20  Single Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 162,1631, 190,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   12 VAL  HA           12 VAL  MGX         2.80    (#    624:20  Unique         2.54, 3.19 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   25 ILE  HN           24 LEU  MDY         3.50    (#    625:20  Unique         2.56, 4.39 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:627     12 VAL  MGX         2.80    (#    627:20  Single Ambig)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 166,1613,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:628     24 LEU  MDY         2.80    (#    628:20  Single Ambig)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 614, 615,1554, 617, 618,1510,1511,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:629     90 VAL  MGX         4.50    (#    629:20  Single Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1527,1371,1372,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:630     12 VAL  MGX         4.50    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1726,1727,1611,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   44 VAL  MGY          12 VAL  MGX         3.50    (#    631:20  Unique         2.79, 5.11 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#  105 SER  HN           24 LEU  MDY         5.50    (#    632:20  Unique         3.42, 5.24 A)
 &rst
  ixpk= 632, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   44 VAL  MGY          24 LEU  MDY         3.50    (#    633:20  Unique         2.35, 5.88 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:634     12 VAL  MGX         3.50    (#    634:20  Single Ambig)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1692,1693,1616,1617,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:635     12 VAL  MGX         2.80    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1614,1686,1687,1619,1620,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#  112 LYS  HN           12 VAL  MGX         5.50    (#    637:20  Unique         3.95, 5.55 A)
 &rst
  ixpk= 637, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:638     24 LEU  MDY         3.50    (#    638:20  Single Ambig)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 646, 367,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   13 ASP  HN           12 VAL  MGX         4.50    (#    639:20  Unique         2.76, 4.23 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#  108 LYS  HN           12 VAL  MGX         5.50    (#    640:20  Unique         4.87, 6.47 A)
 &rst
  ixpk= 640, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#  102 HIS  HD2          24 LEU  MDY         4.50    (#    641:20  Unique         4.87, 6.98 A)
 &rst
  ixpk= 641, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#  109 ILE  HA           12 VAL  MGY         4.50    (#    644:20  Unique         2.23, 3.79 A)
 &rst
  ixpk= 644, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   13 ASP  HA           12 VAL  MGY         5.50    (#    645:20  Unique         3.20, 5.42 A)
 &rst
  ixpk= 645, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   41 LYS  HE-          41 LYS  HG+         5.50    (#    647:20  Unique         2.43, 3.58 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#   12 VAL  HA           12 VAL  MGY         3.50    (#    649:20  Unique         2.54, 3.19 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:650     12 VAL  MGY         2.80    (#    650:20  Single Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 166,1613,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   13 ASP  HN           12 VAL  MGY         4.50    (#    651:20  Unique         2.76, 4.23 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:652     12 VAL  MGY         3.50    (#    652:20  Single Ambig)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1686,1687, 200, 201,1732,1733,1692,1693,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:656     12 VAL  MGY         4.50    (#    656:20  Single Ambig)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 162,1631, 190,
 igr2= 168, 169, 170, 172, 173, 174,
 &end
#
#   41 LYS  HE+          41 LYS  HG+         5.50    (#    659:20  Unique         2.43, 3.58 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#   91 TYR  HB+         121 ALA  MB          4.50    (#    661:20  Unique         2.39, 4.17 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1371,1372,
 igr2=1845,1846,1847,
 &end
#
#    0 AMB  20-2:662    121 ALA  MB          3.50    (#    662:20  Single Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1865,1388,
 igr2=1845,1846,1847,
 &end
#
#   89 HIS  HE1         121 ALA  MB          2.80    (#    663:20  Unique         2.82, 3.79 A)
 &rst
  ixpk= 663, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1845,1846,1847,
 &end
#
#  121 ALA  HA          121 ALA  MB          2.80    (#    666:20  Unique         2.48, 2.69 A)
 &rst
  ixpk= 666, nxpk= 20, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1845,1846,1847,
 &end
#
#    0 AMB  20-2:667    121 ALA  MB          2.80    (#    667:20  Single Ambig)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1841,1851,
 igr2=1845,1846,1847,
 &end
#
#  123 ASP  HB+         121 ALA  MB          3.50    (#    668:20  Unique         3.04, 4.79 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1869,1870,
 igr2=1845,1846,1847,
 &end
#
#  123 ASP  HA          121 ALA  MB          5.50    (#    669:20  Unique         5.27, 6.16 A)
 &rst
  ixpk= 669, nxpk= 20, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1845,1846,1847,
 &end
#
#   41 LYS  HD-          41 LYS  HG-         4.50    (#    671:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 595, 596,
 &end
#
#   91 TYR  HB-         121 ALA  MB          4.50    (#    672:20  Unique         2.39, 4.17 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1371,1372,
 igr2=1845,1846,1847,
 &end
#
#  122 ASN  HA          121 ALA  MB          5.50    (#    675:20  Unique         4.99, 5.43 A)
 &rst
  ixpk= 675, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1845,1846,1847,
 &end
#
#   41 LYS  HE-          41 LYS  HG+         5.50    (#    676:20  Unique         2.43, 3.58 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#    0 AMB  20-2:677      0 AMB  20-1:677    4.50    (#    677:20  Double Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 592, 593, 592, 593,
 igr2= 595, 596, 595, 596,
 &end
#
#  120 TRP  HA          121 ALA  MB          4.50    (#    678:20  Unique         4.52, 4.97 A)
 &rst
  ixpk= 678, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1845,1846,1847,
 &end
#
#   41 LYS  HD-          41 LYS  HG+         4.50    (#    679:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 595, 596,
 &end
#
#   41 LYS  HD+          41 LYS  HG+         5.50    (#    680:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 598, 599,
 igr2= 595, 596,
 &end
#
#    6 LEU  MDX          41 LYS  HG+         3.50    (#    681:20  Unique         2.17, 4.08 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 595, 596,
 &end
#
#    6 LEU  MDY          41 LYS  HG+         4.50    (#    683:20  Unique         2.17, 4.08 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 595, 596,
 &end
#
#   29 SER  HB-           6 LEU  MDY         4.50    (#    686:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   41 LYS  HG+           6 LEU  MDY         4.50    (#    687:20  Unique         2.17, 4.08 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 595, 596,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:688      6 LEU  MDY         7.00    (#    688:20  Single Ambig)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
 igr1=1048, 601, 602,  61,  62,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:689      6 LEU  MDY         4.50    (#    689:20  Single Ambig)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441,  69,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   41 LYS  HN            6 LEU  MDY         5.50    (#    690:20  Unique         2.81, 4.33 A)
 &rst
  ixpk= 690, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:691      6 LEU  MDY         3.50    (#    691:20  Single Ambig)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  73, 412,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    9 ILE  QD1           6 LEU  MDY         2.80    (#    692:20  Unique         2.42, 5.01 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 130, 131, 132,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   29 SER  HB+           6 LEU  MDY         4.50    (#    694:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   29 SER  HA            6 LEU  MDY         4.50    (#    695:20  Unique         2.32, 3.63 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HB3           6 LEU  MDY         3.50    (#    697:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 697, nxpk= 20, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   41 LYS  HD-           6 LEU  MDY         4.50    (#    698:20  Unique         2.37, 4.33 A)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 598, 599,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HG            6 LEU  MDY         2.80    (#    699:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   40 SER  HA            6 LEU  MDY         4.50    (#    701:20  Unique         2.39, 3.88 A)
 &rst
  ixpk= 701, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   28 HIS  HA            6 LEU  MDY         5.50    (#    702:20  Unique         2.92, 4.52 A)
 &rst
  ixpk= 702, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:703      6 LEU  MDY         4.50    (#    703:20  Single Ambig)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 592, 593, 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   57 TYR  HB2          23 VAL  MGX         5.50    (#    706:20  Unique         2.31, 3.73 A)
 &rst
  ixpk= 706, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   76 GLY  HA-          23 VAL  MGX         4.50    (#    707:20  Unique         2.64, 5.06 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1131,1132,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   97 TYR  HD           23 VAL  MGX         4.50    (#    709:20  Unique         2.68, 6.88 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1462,1471,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   53 HIS  HB+          23 VAL  MGX         4.50    (#    710:20  Unique         2.92, 5.10 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 808, 809,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   57 TYR  HB3          23 VAL  MGX         5.50    (#    711:20  Unique         3.74, 5.21 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   23 VAL  HN           23 VAL  MGX         4.50    (#    712:20  Unique         2.57, 4.19 A)
 &rst
  ixpk= 712, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   23 VAL  HA           23 VAL  MGX         3.50    (#    715:20  Unique         2.40, 3.49 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   53 HIS  HB-          23 VAL  MGX         3.50    (#    716:20  Unique         2.92, 5.10 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 808, 809,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:717     23 VAL  MGX         2.80    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 847, 334,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   24 LEU  HN           23 VAL  MGX         4.50    (#    719:20  Unique         2.19, 3.64 A)
 &rst
  ixpk= 719, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:720     23 VAL  MGX         4.50    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 862,1129,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   56 ILE  HG1+         23 VAL  MGX         4.50    (#    721:20  Unique         2.42, 4.55 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 853, 854,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   57 TYR  HA           23 VAL  MGX         4.50    (#    722:20  Unique         2.78, 4.21 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   97 TYR  HE           23 VAL  MGX         4.50    (#    723:20  Unique         3.07, 6.95 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1464,1469,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#   76 GLY  HA+          23 VAL  MGX         4.50    (#    724:20  Unique         2.64, 5.06 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1131,1132,
 igr2= 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:725      0 AMB  20-1:725    3.50    (#    725:20  Double Ambig)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 203, 204, 205, 196, 197, 198,
 igr2= 200, 201, 200, 201,
 &end
#
#    0 AMB  20-2:727      0 AMB  20-1:727    5.50    (#    727:20  Double Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 194,1729,1730,
 igr2= 200, 201, 200, 201,
 &end
#
#  109 ILE  HG1-         14 ILE  HG1+        3.50    (#    729:20  Unique         3.67, 5.18 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1641,1642,
 igr2= 200, 201,
 &end
#
#   14 ILE  HN           14 ILE  HG1+        4.50    (#    730:20  Unique         2.63, 2.84 A)
 &rst
  ixpk= 730, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 200, 201,
 &end
#
#   14 ILE  HN           14 ILE  HG1-        4.50    (#    732:20  Unique         2.63, 2.84 A)
 &rst
  ixpk= 732, nxpk= 20, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 200, 201,
 &end
#
#    0 AMB  20-2:734     14 ILE  HG1-        3.50    (#    734:20  Single Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 203, 204, 205, 196, 197, 198,
 igr2= 200, 201,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    5.50    (#    737:20  Double Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 194,1729,1730,
 igr2= 200, 201, 200, 201,
 &end
#
#    0 AMB  20-2:738    108 LYS  HG-         5.50    (#    738:20  Single Ambig)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1631, 162,
 igr2=1616,1617,
 &end
#
#  108 LYS  HE+         108 LYS  HG+         5.50    (#    739:20  Unique         2.27, 2.94 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#  108 LYS  HB2         108 LYS  HG+         3.50    (#    740:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 740, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#    0 AMB  20-2:741      0 AMB  20-1:741    3.50    (#    741:20  Double Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,1637,
      1638,1639,
 igr2=1616,1617, 200, 201, 200, 201,
 &end
#
#   49 TRP  HZ2          59 LYS  HG+         4.50    (#    744:20  Unique         4.52, 5.31 A)
 &rst
  ixpk= 744, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 902, 903,
 &end
#
#  108 LYS  HA          108 LYS  HG+         5.50    (#    746:20  Unique         2.18, 2.98 A)
 &rst
  ixpk= 746, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1616,1617,
 &end
#
#  108 LYS  HA          108 LYS  HG-         4.50    (#    748:20  Unique         2.18, 2.98 A)
 &rst
  ixpk= 748, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1616,1617,
 &end
#
#  108 LYS  HB2         108 LYS  HG-         2.80    (#    749:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 749, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1616,1617,
 &end
#
#    0 AMB  20-2:750    108 LYS  HG-         4.50    (#    750:20  Single Ambig)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1622,1623, 154, 155,
 igr2=1616,1617,
 &end
#
#  108 LYS  HE+         108 LYS  HG+         5.50    (#    754:20  Unique         2.27, 2.94 A)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#  108 LYS  HN          108 LYS  HG+         3.50    (#    755:20  Unique         2.37, 3.01 A)
 &rst
  ixpk= 755, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#   60 VAL  MGY          59 LYS  HG+         4.50    (#    758:20  Unique         2.56, 5.56 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 902, 903,
 &end
#
#  108 LYS  HN          108 LYS  HG-         3.50    (#    759:20  Unique         2.37, 3.01 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1616,1617,
 &end
#
#   59 LYS  HE+          59 LYS  HG+         3.50    (#    760:20  Unique         2.40, 3.00 A)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#   59 LYS  HA           59 LYS  HG+         3.50    (#    763:20  Unique         2.52, 3.10 A)
 &rst
  ixpk= 763, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 902, 903,
 &end
#
#   59 LYS  HB+          59 LYS  HG+         2.80    (#    764:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900,
 igr2= 902, 903,
 &end
#
#   49 TRP  HH2          59 LYS  HG+         3.50    (#    765:20  Unique         2.79, 3.70 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 902, 903,
 &end
#
#   45 ARG  HG+          59 LYS  HG+         5.50    (#    766:20  Unique         5.97, 7.60 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668,
 igr2= 902, 903,
 &end
#
#   59 LYS  HD+          59 LYS  HG+         2.80    (#    767:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 905, 906,
 igr2= 902, 903,
 &end
#
#   60 VAL  HN           59 LYS  HG+         5.50    (#    768:20  Unique         3.35, 3.82 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 902, 903,
 &end
#
#  108 LYS  HE+         108 LYS  HG-         5.50    (#    769:20  Unique         2.27, 2.94 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2=1616,1617,
 &end
#
#  119 THR  MG2          87 LYS  HG-         4.50    (#    774:20  Unique         3.26, 5.32 A)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1809,1810,1811,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:777      0 AMB  20-1:777    4.50    (#    777:20  Double Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1622,1623,1306,1307,
 igr2=1616,1617,1300,1301,
 &end
#
#    0 AMB  20-2:779     87 LYS  HG-         4.50    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1306,1307,1338,1339,
 igr2=1300,1301,
 &end
#
#   44 VAL  MGY         108 LYS  HG+         5.50    (#    780:20  Unique         3.20, 6.10 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 650, 651, 652, 654, 655, 656,
 igr2=1616,1617,
 &end
#
#    0 AMB  20-2:781     87 LYS  HG-         4.50    (#    781:20  Single Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1776,1777,1218,1219,1218,1219,
 igr2=1300,1301,
 &end
#
#   87 LYS  HB+          87 LYS  HG-         3.50    (#    783:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:786     87 LYS  HG-         3.50    (#    786:20  Single Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1303,1304,1303,1304,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:787      0 AMB  20-1:787    4.50    (#    787:20  Double Ambig)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1622,1623,1306,1307, 154, 155,
 igr2=1616,1617,1300,1301,1616,1617,
 &end
#
#    0 AMB  20-2:789      0 AMB  20-1:789    3.50    (#    789:20  Double Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1686,1687,1614,
 igr2=1689,1690,1689,1690,
 &end
#
#    0 AMB  20-2:790     87 LYS  HG-         2.80    (#    790:20  Single Ambig)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1303,1304,1297,1298,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:791      0 AMB  20-1:791    5.50    (#    791:20  Double Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 902, 903, 902, 903,
 &end
#
#   12 VAL  HB          112 LYS  HG+         5.50    (#    792:20  Unique         2.27, 3.13 A)
 &rst
  ixpk= 792, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1689,1690,
 &end
#
#   87 LYS  HA           87 LYS  HG-         4.50    (#    793:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 793, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1301,
 &end
#
#    0 AMB  20-2:795      0 AMB  20-1:795    4.50    (#    795:20  Double Ambig)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,
 igr2=1616,1617,1616,1617,
 &end
#
#   12 VAL  MGY         112 LYS  HG+         3.50    (#    796:20  Unique         2.46, 4.65 A)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1689,1690,
 &end
#
#   87 LYS  HB+          87 LYS  HG+         4.50    (#    797:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1300,1301,
 &end
#
#  112 LYS  HE-         112 LYS  HG+         3.50    (#    798:20  Unique         2.39, 2.96 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1695,1696,
 igr2=1689,1690,
 &end
#
#    0 AMB  20-2:799      0 AMB  20-1:799    2.80    (#    799:20  Double Ambig)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1686,1687,1692,1693,1732,1733,
 igr2=1689,1690,1689,1690,1689,1690,
 &end
#
#    0 AMB  20-2:800      0 AMB  20-1:800    4.50    (#    800:20  Double Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1684,1726,1727,1611,
 igr2=1689,1690,1689,1690,1689,1690,
 &end
#
#   87 LYS  HA           87 LYS  HG+         4.50    (#    803:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 803, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1301,
 &end
#
#  112 LYS  HE+         112 LYS  HG+         3.50    (#    804:20  Unique         2.39, 2.96 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1695,1696,
 igr2=1689,1690,
 &end
#
#  112 LYS  HD+         112 LYS  HG+         4.50    (#    805:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1692,1693,
 igr2=1689,1690,
 &end
#
#  117 GLU  HB-          87 LYS  HG-         4.50    (#    807:20  Unique         2.23, 4.87 A)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1776,1777,
 igr2=1300,1301,
 &end
#
#    5 ASP  HA            8 LEU  MDX         5.50    (#    808:20  Unique         4.64, 6.68 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#  107 GLU  HA          110 LYS  HG+         5.50    (#    812:20  Unique         4.01, 5.00 A)
 &rst
  ixpk= 812, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#    5 ASP  HN            8 LEU  MDX         5.50    (#    813:20  Unique         2.24, 4.53 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:814      6 LEU  MDX         5.50    (#    814:20  Single Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1048, 601, 602,  61,  62,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#  110 LYS  HA          110 LYS  HG-         4.50    (#    815:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 815, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#    0 AMB  20-2:816      8 LEU  MDX         4.50    (#    816:20  Single Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  98, 117,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   29 SER  HB+           6 LEU  MDX         4.50    (#    818:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    8 LEU  HG            8 LEU  MDX         2.80    (#    819:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 LEU  HA            8 LEU  MDX         4.50    (#    820:20  Unique         2.21, 3.85 A)
 &rst
  ixpk= 820, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:823      8 LEU  MDX         2.80    (#    823:20  Single Ambig)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 102, 103, 102, 103,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    5 ASP  HB+           8 LEU  MDX         3.50    (#    824:20  Unique         2.56, 4.91 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   63 ASP  HA           66 LYS  HG+         4.50    (#    825:20  Unique         4.64, 4.92 A)
 &rst
  ixpk= 825, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#    6 LEU  HG            6 LEU  MDX         2.80    (#    828:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    5 ASP  HB-           8 LEU  MDX         3.50    (#    830:20  Unique         2.56, 4.91 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  61,  62,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   28 HIS  HA            6 LEU  MDX         4.50    (#    831:20  Unique         2.92, 4.52 A)
 &rst
  ixpk= 831, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:833      6 LEU  MDX         3.50    (#    833:20  Single Ambig)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 592, 593, 566, 567,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   40 SER  HN            6 LEU  MDX         5.50    (#    834:20  Unique         3.53, 5.34 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   41 LYS  HG+           6 LEU  MDX         3.50    (#    835:20  Unique         2.17, 4.08 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 595, 596,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HB2           6 LEU  MDX         2.80    (#    836:20  Unique         2.51, 3.55 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   41 LYS  HD-           6 LEU  MDX         4.50    (#    840:20  Unique         2.37, 4.33 A)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 598, 599,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HB3           6 LEU  MDX         2.80    (#    841:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   29 SER  HB-           6 LEU  MDX         4.50    (#    842:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 445, 446,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#  110 LYS  HE+         110 LYS  HG-         4.50    (#    844:20  Unique         2.40, 2.95 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#   29 SER  HA            6 LEU  MDX         4.50    (#    845:20  Unique         2.32, 3.63 A)
 &rst
  ixpk= 845, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   66 LYS  HN           66 LYS  HG+         4.50    (#    846:20  Unique         4.37, 4.47 A)
 &rst
  ixpk= 846, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#    9 ILE  HG1+          6 LEU  MDX         4.50    (#    847:20  Unique         3.97, 6.63 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 127, 128,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   66 LYS  HE+          66 LYS  HG+         3.50    (#    848:20  Unique         2.48, 3.25 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1010,1011,
 igr2=1004,1005,
 &end
#
#    0 AMB  20-2:850      6 LEU  MDX         5.50    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 590,  59,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   40 SER  HA            6 LEU  MDX         3.50    (#    851:20  Unique         2.39, 3.88 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:852      6 LEU  MDX         3.50    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 441,  69,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   41 LYS  HN            6 LEU  MDX         4.50    (#    853:20  Unique         2.81, 4.33 A)
 &rst
  ixpk= 853, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  78,  79,  80,  82,  83,  84,
 &end
#
#   66 LYS  HA           66 LYS  HG+         4.50    (#    857:20  Unique         2.82, 3.00 A)
 &rst
  ixpk= 857, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#    0 AMB  20-2:858      0 AMB  20-1:858    4.50    (#    858:20  Double Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1776,1777,1791,
 igr2=1657,1658,1657,1658,
 &end
#
#    4 ALA  MB            8 LEU  MDX         4.50    (#    861:20  Unique         2.51, 6.31 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:862      0 AMB  20-1:862    2.80    (#    862:20  Double Ambig)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1001,1002,1776,1777,
 igr2=1004,1005,1657,1658,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    3.50    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1663,1664,1010,1011,
 igr2=1657,1658,1004,1005,
 &end
#
#   66 LYS  HB+          66 LYS  HG+         2.80    (#    864:20  Unique         2.33, 2.77 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1001,1002,
 igr2=1004,1005,
 &end
#
#   66 LYS  HA           66 LYS  HG-         3.50    (#    865:20  Unique         2.82, 3.00 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1004,1005,
 &end
#
#  110 LYS  HD+         110 LYS  HG-         3.50    (#    867:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1660,1661,
 igr2=1657,1658,
 &end
#
#  110 LYS  HN          110 LYS  HG+         4.50    (#    869:20  Unique         2.43, 3.07 A)
 &rst
  ixpk= 869, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#  110 LYS  HA          110 LYS  HG+         4.50    (#    870:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 870, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#  110 LYS  HA          110 LYS  HG+         4.50    (#    871:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 871, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#  107 GLU  HA          110 LYS  HG-         5.50    (#    872:20  Unique         4.01, 5.00 A)
 &rst
  ixpk= 872, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#    0 AMB  20-2:873      0 AMB  20-1:873    3.50    (#    873:20  Double Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1660,1661,1654,1655,
 igr2=1657,1658,1657,1658,
 &end
#
#   66 LYS  HN           66 LYS  HG-         4.50    (#    874:20  Unique         4.37, 4.47 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1004,1005,
 &end
#
#  110 LYS  HN          110 LYS  HG-         4.50    (#    877:20  Unique         2.43, 3.07 A)
 &rst
  ixpk= 877, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#  110 LYS  HA          110 LYS  HG-         5.50    (#    878:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 878, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1657,1658,
 &end
#
#  110 LYS  HE+         110 LYS  HG+         4.50    (#    879:20  Unique         2.40, 2.95 A)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#  110 LYS  HB-         110 LYS  HG+         3.50    (#    880:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1654,1655,
 igr2=1657,1658,
 &end
#
#  110 LYS  HA          110 LYS  HG-         4.50    (#    881:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 881, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1657,1658,
 &end
#
#  110 LYS  HE+         110 LYS  HG-         5.50    (#    882:20  Unique         2.40, 2.95 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1663,1664,
 igr2=1657,1658,
 &end
#
#  118 VAL  MGY         110 LYS  HG-         3.50    (#    883:20  Unique         2.23, 4.45 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1657,1658,
 &end
#
#   42 GLU  HA           74 LEU  MDX         5.50    (#    884:20  Unique         4.71, 6.34 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#  118 VAL  MGY         110 LYS  HG+         3.50    (#    887:20  Unique         2.23, 4.45 A)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1657,1658,
 &end
#
#   26 ARG  HD+          74 LEU  MDX         5.50    (#    888:20  Unique         2.58, 4.92 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 394, 395,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#    0 AMB  20-2:889      0 AMB  20-1:889    4.50    (#    889:20  Double Ambig)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1084,1085,1084,1085,1513,1514,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#   26 ARG  HN            0 AMB  20-1:890    4.50    (#    890:20  Single Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#   26 ARG  HA            0 AMB  20-1:891    5.50    (#    891:20  Single Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    3.50    (#    892:20  Double Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 617, 618, 617, 618,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    0 AMB  20-2:893     74 LEU  MDX         2.80    (#    893:20  Single Ambig)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108, 389,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   43 ILE  HN           24 LEU  MDX         5.50    (#    894:20  Unique         3.04, 5.08 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   74 LEU  HN            0 AMB  20-1:895    5.50    (#    895:20  Single Ambig)
 &rst
  ixpk= 895, nxpk= 20, iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    0 AMB  20-2:896     24 LEU  MDX         2.80    (#    896:20  Single Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 614, 615, 350, 351,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:897      0 AMB  20-1:897    2.80    (#    897:20  Double Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 614, 615,1554, 388, 617, 618,1510,1511,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#    0 AMB  20-2:898      0 AMB  20-1:898    2.80    (#    898:20  Double Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1107, 353,
 igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#   43 ILE  HG1+         24 LEU  MDX         4.50    (#    900:20  Unique         5.09, 7.02 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 635, 636,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   74 LEU  HA           74 LEU  MDX         4.50    (#    901:20  Unique         2.25, 3.77 A)
 &rst
  ixpk= 901, nxpk= 20, iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1112,1113,1114,1116,1117,1118,
 &end
#
#   24 LEU  HA           24 LEU  MDX         4.50    (#    902:20  Unique         2.26, 3.64 A)
 &rst
  ixpk= 902, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:903     24 LEU  MDX         5.50    (#    903:20  Single Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1525,1508,1124,1125,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:904     24 LEU  MDX         3.50    (#    904:20  Single Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 650, 651, 652, 654, 655, 656, 350, 351,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#  101 GLN  HN           24 LEU  MDX         3.50    (#    905:20  Unique         2.19, 4.68 A)
 &rst
  ixpk= 905, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#  105 SER  HN           24 LEU  MDX         4.50    (#    906:20  Unique         3.42, 5.24 A)
 &rst
  ixpk= 906, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#  100 ALA  HA           24 LEU  MDX         5.50    (#    907:20  Unique         3.55, 5.97 A)
 &rst
  ixpk= 907, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:909     24 LEU  MDX         5.50    (#    909:20  Single Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1550,1496,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   43 ILE  QD1          45 ARG  HG+         5.50    (#    910:20  Unique         3.06, 4.41 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640,
 igr2= 667, 668,
 &end
#
#  102 HIS  HD2          24 LEU  MDX         5.50    (#    911:20  Unique         4.87, 6.98 A)
 &rst
  ixpk= 911, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#   43 ILE  HB           43 ILE  HG1-        5.50    (#    912:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 912, nxpk= 20, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 635, 636,
 &end
#
#   43 ILE  HN           43 ILE  HG1+        4.50    (#    913:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 913, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 635, 636,
 &end
#
#    0 AMB  20-2:914     24 LEU  MDX         5.50    (#    914:20  Single Ambig)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1571,1552,
 igr2= 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:916     43 ILE  HG1-        3.50    (#    916:20  Single Ambig)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 375, 376, 667, 668,
 igr2= 635, 636,
 &end
#
#   43 ILE  HN           43 ILE  HG1-        4.50    (#    918:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 918, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 635, 636,
 &end
#
#    0 AMB  20-2:919     43 ILE  HG1-        3.50    (#    919:20  Single Ambig)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 414, 415, 416, 418, 419, 420, 378, 379, 380,
 igr2= 635, 636,
 &end
#
#   43 ILE  QD1          43 ILE  HG1-        3.50    (#    920:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640,
 igr2= 635, 636,
 &end
#
#    0 AMB  20-2:921      0 AMB  20-1:921    3.50    (#    921:20  Double Ambig)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 375, 376, 667, 668,
 igr2= 635, 636, 635, 636,
 &end
#
#  102 HIS  HN          101 GLN  HB+         5.50    (#    922:20  Unique         4.23, 4.42 A)
 &rst
  ixpk= 922, nxpk= 20, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1510,1511,
 &end
#
#   43 ILE  QD1          43 ILE  HG1+        3.50    (#    923:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640,
 igr2= 635, 636,
 &end
#
#  104 ILE  HN          101 GLN  HB+         4.50    (#    924:20  Unique         3.12, 3.48 A)
 &rst
  ixpk= 924, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1510,1511,
 &end
#
#  101 GLN  HN          101 GLN  HB+         3.50    (#    925:20  Unique         2.33, 3.01 A)
 &rst
  ixpk= 925, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:928     43 ILE  HG1-        3.50    (#    928:20  Single Ambig)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 371, 372, 373, 631, 632, 633,
 igr2= 635, 636,
 &end
#
#  104 ILE  HG1-        101 GLN  HB+         5.50    (#    929:20  Unique         2.33, 3.13 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:930      0 AMB  20-1:930    4.50    (#    930:20  Double Ambig)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 371, 372, 373, 856, 857, 858, 631, 632, 633,
 igr2= 667, 668, 667, 668, 667, 668,
 &end
#
#   45 ARG  HB2          45 ARG  HG+         4.50    (#    931:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 931, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 667, 668,
 &end
#
#  101 GLN  HA          101 GLN  HB+         3.50    (#    933:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 933, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:934      0 AMB  20-1:934    3.50    (#    934:20  Double Ambig)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 414, 415, 416, 418, 419, 420, 378, 379, 380,
 igr2= 635, 636, 635, 636,
 &end
#
#  104 ILE  HN          101 GLN  HB+         5.50    (#    935:20  Unique         3.12, 3.48 A)
 &rst
  ixpk= 935, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1510,1511,
 &end
#
#  104 ILE  HG1-        101 GLN  HB-         4.50    (#    936:20  Unique         2.33, 3.13 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#   60 VAL  MGX          45 ARG  HG+         4.50    (#    938:20  Unique         2.08, 3.55 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#  101 GLN  HG-         101 GLN  HB-         3.50    (#    939:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:942    101 GLN  HB-         2.80    (#    942:20  Single Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,
 igr2=1510,1511,
 &end
#
#  101 GLN  HG+         101 GLN  HB-         3.50    (#    943:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#   60 VAL  MGY          45 ARG  HG+         4.50    (#    945:20  Unique         2.08, 3.55 A)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#  101 GLN  HA          101 GLN  HB-         3.50    (#    946:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 946, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:947      0 AMB  20-1:947    2.80    (#    947:20  Double Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,
 igr2=1510,1511,1510,1511,
 &end
#
#   43 ILE  HG1+         45 ARG  HG+         4.50    (#    948:20  Unique         3.01, 4.64 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 635, 636,
 igr2= 667, 668,
 &end
#
#  101 GLN  HN          101 GLN  HB-         2.80    (#    949:20  Unique         2.33, 3.01 A)
 &rst
  ixpk= 949, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1510,1511,
 &end
#
#  101 GLN  HG-         101 GLN  HB+         3.50    (#    950:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#   43 ILE  QD1          45 ARG  HG+         5.50    (#    951:20  Unique         3.06, 4.41 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640,
 igr2= 667, 668,
 &end
#
#  104 ILE  HG1+        101 GLN  HB+         4.50    (#    952:20  Unique         2.33, 3.13 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#  101 GLN  HG+         101 GLN  HB+         3.50    (#    954:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1513,1514,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:955     45 ARG  HG-         3.50    (#    955:20  Single Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 923, 924, 925, 927, 928, 929, 635, 636,
 igr2= 667, 668,
 &end
#
#  104 ILE  HG1-        101 GLN  HB+         5.50    (#    956:20  Unique         2.33, 3.13 A)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1560,1561,
 igr2=1510,1511,
 &end
#
#    0 AMB  20-2:957     73 CYS  HB-         4.50    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 334,1420,1421,1081,1082,
 igr2=1096,1097,
 &end
#
#   74 LEU  HB2          74 LEU  HG          3.50    (#    959:20  Unique         2.42, 2.44 A)
 &rst
  ixpk= 959, nxpk= 20, iat=1107,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ARG  HN           74 LEU  HG          4.50    (#    961:20  Unique         2.78, 2.86 A)
 &rst
  ixpk= 961, nxpk= 20, iat= 384,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 CYS  HN           73 CYS  HB-         4.50    (#    962:20  Unique         2.90, 3.28 A)
 &rst
  ixpk= 962, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:964     74 LEU  HG          3.50    (#    964:20  Single Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1108, 369,
 &end
#
#   74 LEU  MDY          74 LEU  HG          2.80    (#    965:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   74 LEU  HN           74 LEU  HG          4.50    (#    968:20  Unique         2.48, 2.52 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1103,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  HA           74 LEU  HG          4.50    (#    970:20  Unique         3.26, 3.28 A)
 &rst
  ixpk= 970, nxpk= 20, iat=1105,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 TYR  HD           73 CYS  HB+         5.50    (#    975:20  Unique         3.18, 4.93 A)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1096,1097,
 &end
#
#   73 CYS  HN           73 CYS  HB+         4.50    (#    976:20  Unique         2.90, 3.28 A)
 &rst
  ixpk= 976, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   56 ILE  HG1+         73 CYS  HB+         5.50    (#    978:20  Unique         6.21, 7.34 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 853, 854,
 igr2=1096,1097,
 &end
#
#   56 ILE  HG1+         73 CYS  HB+         5.50    (#    979:20  Unique         6.21, 7.34 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 853, 854,
 igr2=1096,1097,
 &end
#
#   57 TYR  HE           73 CYS  HB+         5.50    (#    980:20  Unique         3.76, 5.31 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#   57 TYR  HE           73 CYS  HB-         5.50    (#    986:20  Unique         3.76, 5.31 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#   73 CYS  HA           73 CYS  HB-         4.50    (#    988:20  Unique         2.34, 2.46 A)
 &rst
  ixpk= 988, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   97 TYR  HD           73 CYS  HB+         5.50    (#    989:20  Unique         3.18, 4.93 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2=1096,1097,
 &end
#
#   97 TYR  HE           73 CYS  HB+         5.50    (#    990:20  Unique         4.14, 5.29 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2=1096,1097,
 &end
#
#   32 ARG  HD+          32 ARG  HG+         3.50    (#    992:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 486, 487,
 igr2= 483, 484,
 &end
#
#   57 TYR  HE           73 CYS  HB+         5.50    (#    995:20  Unique         3.76, 5.31 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2=1096,1097,
 &end
#
#   99 PRO  HB+          99 PRO  HG-         3.50    (#    996:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1489,1490,
 igr2=1486,1487,
 &end
#
#   99 PRO  HD-          99 PRO  HG+         4.50    (#    997:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#    7 ALA  MB            8 LEU  HG          4.50    (#    999:20  Unique         3.26, 4.49 A)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
#   99 PRO  HD+          99 PRO  HG-         4.50    (#   1003:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#   99 PRO  HD-          99 PRO  HG-         3.50    (#   1004:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#    8 LEU  MDX           8 LEU  HG          2.80    (#   1006:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   99 PRO  HD+          99 PRO  HG+         3.50    (#   1008:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1486,1487,
 &end
#
#   99 PRO  HB+          99 PRO  HG+         3.50    (#   1009:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1489,1490,
 igr2=1486,1487,
 &end
#
#    5 ASP  HB+           8 LEU  HG          4.50    (#   1012:20  Unique         2.35, 3.29 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#    9 ILE  HB            9 ILE  HG1-        3.50    (#   1013:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#    8 LEU  HB-           8 LEU  HG          2.80    (#   1014:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#    6 LEU  HA            9 ILE  HG1-        4.50    (#   1018:20  Unique         2.72, 3.60 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#   73 CYS  HA           73 CYS  HB+         4.50    (#   1019:20  Unique         2.34, 2.46 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#    8 LEU  HA            8 LEU  HG          3.50    (#   1020:20  Unique         3.12, 3.20 A)
 &rst
  ixpk= 1020, nxpk= 20, iat= 100, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  MDY           8 LEU  HG          2.80    (#   1021:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    8 LEU  HN            8 LEU  HG          3.50    (#   1022:20  Unique         2.36, 2.53 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=  98, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LEU  HA            9 ILE  HG1+        5.50    (#   1024:20  Unique         2.72, 3.60 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 127, 128,
 &end
#
#   41 LYS  HG+           9 ILE  HG1-        5.50    (#   1025:20  Unique         6.16, 6.93 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596,
 igr2= 127, 128,
 &end
#
#    9 ILE  HA            9 ILE  HG1+        3.50    (#   1026:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1026, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#    4 ALA  MB            9 ILE  HG1-        5.50    (#   1027:20  Unique         2.86, 5.08 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,
 igr2= 127, 128,
 &end
#
#    9 ILE  HN            9 ILE  HG1-        3.50    (#   1034:20  Unique         2.14, 2.85 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#    9 ILE  HB            9 ILE  HG1+        3.50    (#   1035:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1035, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:1036     0 AMB  20-1:1036   2.80    (#   1036:20  Double Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2= 127, 128, 127, 128,
 &end
#
#    0 AMB  20-2:1037     9 ILE  HG1-        2.80    (#   1037:20  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:1039     0 AMB  20-1:1039   3.50    (#   1039:20  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  69, 511,
 igr2=  76, 483, 484,
 &end
#
#    6 LEU  MDX           6 LEU  HG          3.50    (#   1040:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HB3           6 LEU  HG          3.50    (#   1042:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=  74,  76, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  HA            9 ILE  HG1-        4.50    (#   1044:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1044, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:1045     0 AMB  20-1:1045   5.50    (#   1045:20  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 102, 103,  76,
 igr2= 127, 128, 127, 128,
 &end
#
#    6 LEU  MDY           6 LEU  HG          3.50    (#   1046:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    9 ILE  HN            9 ILE  HG1+        3.50    (#   1049:20  Unique         2.14, 2.85 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 127, 128,
 &end
#
#   79 ILE  HN           78 ARG  HG+         5.50    (#   1051:20  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1150,1151,
 &end
#
#    0 AMB  20-2:1053     0 AMB  20-1:1053   4.50    (#   1053:20  Double Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1153,1154, 300, 301,
 igr2=1150,1151,1150,1151,
 &end
#
#    0 AMB  20-2:1054     0 AMB  20-1:1054   5.50    (#   1054:20  Double Ambig)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1153,1154, 300, 301,
 igr2=1150,1151,1150,1151,
 &end
#
#   79 ILE  HN           78 ARG  HG+         5.50    (#   1055:20  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1150,1151,
 &end
#
#   78 ARG  HB-          78 ARG  HG+         4.50    (#   1056:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1147,1148,
 igr2=1150,1151,
 &end
#
#   78 ARG  HD+          78 ARG  HG+         4.50    (#   1058:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#  114 PRO  HD+         114 PRO  HG+         2.80    (#   1071:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1726,1727,
 igr2=1729,1730,
 &end
#
#    0 AMB  20-2:1074     0 AMB  20-1:1074   4.50    (#   1074:20  Double Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1706,  49, 119,
 igr2=1729,1730, 466, 467,
 &end
#
#   25 ILE  HN           24 LEU  HG          5.50    (#   1080:20  Unique         3.65, 4.57 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 365, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1081    24 LEU  HG          3.50    (#   1081:20  Single Ambig)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 351, 614, 615,
 &end
#
#   26 ARG  HA           26 ARG  HG-         5.50    (#   1083:20  Unique         2.41, 2.88 A)
 &rst
  ixpk= 1083, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#    0 AMB  20-2:1086    24 LEU  HG          2.80    (#   1086:20  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
      1113,1114,1116,1117,1118,1556,1557,1558,
 &end
#
#   24 LEU  HB-          24 LEU  HG          3.50    (#   1089:20  Unique         2.35, 2.56 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#   26 ARG  HB3          26 ARG  HG+         4.50    (#   1091:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 1091, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#   26 ARG  HB2          26 ARG  HG-         5.50    (#   1092:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1092, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#   26 ARG  HB2          26 ARG  HG+         5.50    (#   1093:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#   31 PRO  HB+          31 PRO  HG+         2.80    (#   1094:20  Unique         2.34, 2.62 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 469, 470,
 igr2= 466, 467,
 &end
#
#    0 AMB  20-2:1095     0 AMB  20-1:1095   2.80    (#   1095:20  Double Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1221,1222,1732,1733,
 igr2=1218,1219,1729,1730,
 &end
#
#   26 ARG  HD+          26 ARG  HG-         4.50    (#   1099:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#   26 ARG  HA           26 ARG  HG+         4.50    (#   1100:20  Unique         2.41, 2.88 A)
 &rst
  ixpk= 1100, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#   26 ARG  HA           26 ARG  HG-         7.00    (#   1101:20  Unique         2.41, 2.88 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 391, 392,
 &end
#
#   26 ARG  HD+          26 ARG  HG+         4.50    (#   1103:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 394, 395,
 igr2= 391, 392,
 &end
#
#   24 LEU  HA           24 LEU  HG          5.50    (#   1104:20  Unique         2.60, 3.48 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 348, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 ILE  HG1-         24 LEU  HG          4.50    (#   1107:20  Unique         4.46, 5.22 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
#   25 ILE  HN           25 ILE  HG1+        5.50    (#   1112:20  Unique         3.32, 3.94 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 375, 376,
 &end
#
#   26 ARG  HB2          26 ARG  HG+         5.50    (#   1115:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1115, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#   66 LYS  HB+          65 GLN  HB2         4.50    (#   1117:20  Unique         4.74, 5.01 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1001,1002,
 &end
#
#   27 VAL  HN           26 ARG  HG-         4.50    (#   1118:20  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#  104 ILE  HN          104 ILE  HG1+        3.50    (#   1121:20  Unique         2.06, 2.75 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#   82 GLN  HA            0 AMB  20-1:1122   2.80    (#   1122:20  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1218,1219,1218,1219,
 &end
#
#  104 ILE  HA          104 ILE  HG1+        3.50    (#   1124:20  Unique         2.64, 3.14 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#   57 TYR  HD           25 ILE  HG1+        4.50    (#   1127:20  Unique         2.28, 6.75 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 870, 879,
 igr2= 375, 376,
 &end
#
#    0 AMB  20-2:1129     0 AMB  20-1:1129   3.50    (#   1129:20  Double Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1510,1511,1554, 617, 618,
 igr2=1560,1561,1560,1561,1560,1561,
 &end
#
#    0 AMB  20-2:1130     0 AMB  20-1:1130   2.80    (#   1130:20  Double Ambig)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1556,
      1557,1558,
 igr2=1560,1561,1560,1561,1560,1561,
 &end
#
#  104 ILE  HA          104 ILE  HG1-        3.50    (#   1132:20  Unique         2.64, 3.14 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#    0 AMB  20-2:1133   104 ILE  HG1-        2.80    (#   1133:20  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1556,
      1557,1558,
 igr2=1560,1561,
 &end
#
#   73 CYS  HA           25 ILE  HG1-        7.00    (#   1134:20  Unique         3.48, 4.76 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 375, 376,
 &end
#
#   25 ILE  QG2          25 ILE  HG1-        2.80    (#   1137:20  Unique         2.52, 3.54 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 371, 372, 373,
 igr2= 375, 376,
 &end
#
#   82 GLN  HN            0 AMB  20-1:1138   3.50    (#   1138:20  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1218,1219,1218,1219,
 &end
#
#   57 TYR  HD           25 ILE  HG1-        4.50    (#   1142:20  Unique         2.28, 6.75 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 870, 879,
 igr2= 375, 376,
 &end
#
#    0 AMB  20-2:1143   104 ILE  HG1-        4.50    (#   1143:20  Single Ambig)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1560,1561,
 &end
#
#   73 CYS  HA           25 ILE  HG1-        5.50    (#   1144:20  Unique         3.48, 4.76 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 375, 376,
 &end
#
#    0 AMB  20-2:1146   104 ILE  HG1-        2.80    (#   1146:20  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1510,1511,1554, 617, 618,
 igr2=1560,1561,
 &end
#
#  104 ILE  HN          104 ILE  HG1-        3.50    (#   1147:20  Unique         2.06, 2.75 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1560,1561,
 &end
#
#    0 AMB  20-2:1149    65 GLN  HB2         4.50    (#   1149:20  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 967,1023,
 &end
#
#    0 AMB  20-2:1150     0 AMB  20-1:1150   2.80    (#   1150:20  Double Ambig)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420,
 igr2= 375, 376, 375, 376,
 &end
#
#   57 TYR  HE           25 ILE  HG1-        5.50    (#   1152:20  Unique         2.23, 6.79 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 877,
 igr2= 375, 376,
 &end
#
#    0 AMB  20-2:1155     0 AMB  20-1:1155   4.50    (#   1155:20  Double Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 igr2=1560,1561,1560,1561,
 &end
#
#   66 LYS  HB+          65 GLN  HB3         5.50    (#   1156:20  Unique         5.38, 5.66 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1001,1002,
 &end
#
#    0 AMB  20-2:1160    25 ILE  HG1-        5.50    (#   1160:20  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 365,1092, 408,
 igr2= 375, 376,
 &end
#
#  101 GLN  HB-         104 ILE  HG1-        4.50    (#   1161:20  Unique         2.33, 3.13 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1510,1511,
 igr2=1560,1561,
 &end
#
#   62 GLY  HA-          65 GLN  HB2         4.50    (#   1162:20  Unique         2.79, 3.70 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 947,
 &end
#
#   65 GLN  HG+          65 GLN  HB3         4.50    (#   1166:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#   43 ILE  HG1-         25 ILE  HG1+        5.50    (#   1167:20  Unique         2.30, 3.47 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,
 igr2= 375, 376,
 &end
#
#   65 GLN  HG-          65 GLN  HB2         2.80    (#   1169:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 987, 988,
 &end
#
#   66 LYS  HN           65 GLN  HB2         3.50    (#   1170:20  Unique         2.87, 2.98 A)
 &rst
  ixpk= 1170, nxpk= 20, iat= 997, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1172    65 GLN  HB2         4.50    (#   1172:20  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 999, 935,1038,1039,
 &end
#
#   65 GLN  HA           65 GLN  HB3         2.80    (#   1173:20  Unique         2.58, 2.59 A)
 &rst
  ixpk= 1173, nxpk= 20, iat= 982, 985, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 GLN  HN           65 GLN  HB2         2.80    (#   1175:20  Unique         2.25, 2.26 A)
 &rst
  ixpk= 1175, nxpk= 20, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 GLN  HG-          65 GLN  HB3         2.80    (#   1176:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 987, 988,
 &end
#
#   65 GLN  HA           65 GLN  HB2         3.50    (#   1178:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 1178, nxpk= 20, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLN  HG+          65 GLN  HB2         3.50    (#   1179:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#   65 GLN  HN           65 GLN  HB3         3.50    (#   1180:20  Unique         3.52, 3.52 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LYS  HN           65 GLN  HB3         4.50    (#   1181:20  Unique         3.70, 3.75 A)
 &rst
  ixpk= 1181, nxpk= 20, iat= 997, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1182   104 ILE  HG1-        4.50    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 353,1107,
 igr2=1560,1561,
 &end
#
#   62 GLY  HA-          65 GLN  HB3         4.50    (#   1183:20  Unique         4.38, 5.30 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 946, 947,
 &end
#
#   62 GLY  HA+          65 GLN  HB3         5.50    (#   1184:20  Unique         4.38, 5.30 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#   62 GLY  HA+          65 GLN  HB2         5.50    (#   1185:20  Unique         2.79, 3.70 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#    0 AMB  20-2:1187    65 GLN  HB3         5.50    (#   1187:20  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 999,1038,1039, 935,
 &end
#
#  108 LYS  HB2         108 LYS  HD+         4.50    (#   1188:20  Unique         2.52, 3.28 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1619,1620,
 &end
#
#  108 LYS  HE+         108 LYS  HD+         4.50    (#   1191:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#    0 AMB  20-2:1193     0 AMB  20-1:1193   5.50    (#   1193:20  Double Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1=1556,1557,1558, 650, 651, 652, 654, 655, 656, 168,
       169, 170, 172, 173, 174,
 igr2=1619,1620,1619,1620,1619,1620,
 &end
#
#    0 AMB  20-2:1194   108 LYS  HD-         3.50    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 154, 155,1622,1623,
 igr2=1619,1620,
 &end
#
#  108 LYS  HA          108 LYS  HD+         4.50    (#   1195:20  Unique         2.26, 3.54 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1619,1620,
 &end
#
#  108 LYS  HE+         108 LYS  HD-         3.50    (#   1196:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1622,1623,
 igr2=1619,1620,
 &end
#
#  108 LYS  HA          108 LYS  HD-         4.50    (#   1197:20  Unique         2.26, 3.54 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1619,1620,
 &end
#
#   79 ILE  HA           79 ILE  HG1+        5.50    (#   1200:20  Unique         2.62, 2.73 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
#    0 AMB  20-2:1202    79 ILE  HG1-        3.50    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1357,1358,1359,1361,1362,1363,1171,
 igr2=1177,1178,
 &end
#
#   79 ILE  QD1          79 ILE  HG1+        3.50    (#   1203:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1180,1181,1182,
 igr2=1177,1178,
 &end
#
#   12 VAL  HB          112 LYS  HD+         4.50    (#   1204:20  Unique         2.94, 4.59 A)
 &rst
  ixpk= 1204, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1692,1693,
 &end
#
#   79 ILE  QD1          79 ILE  HG1-        3.50    (#   1205:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1180,1181,1182,
 igr2=1177,1178,
 &end
#
#   90 VAL  MGY          79 ILE  HG1-        4.50    (#   1207:20  Unique         2.29, 3.82 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1177,1178,
 &end
#
#    0 AMB  20-2:1210     0 AMB  20-1:1210   3.50    (#   1210:20  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1357,1358,1359,1361,1362,1363,1171,
 igr2=1177,1178,1177,1178,
 &end
#
#   49 TRP  HE3          49 TRP  HB-         5.50    (#   1211:20  Unique         2.93, 3.63 A)
 &rst
  ixpk= 1211, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 738, 739,
 &end
#
#    0 AMB  20-2:1212     0 AMB  20-1:1212   5.50    (#   1212:20  Double Ambig)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1353, 289,
 igr2=1177,1178,1177,1178,
 &end
#
#   79 ILE  HA           79 ILE  HG1+        4.50    (#   1215:20  Unique         2.62, 2.73 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1177,1178,
 &end
#
#    0 AMB  20-2:1216     0 AMB  20-1:1216   4.50    (#   1216:20  Double Ambig)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1684, 770,
 igr2=1692,1693, 297, 298,
 &end
#
#   49 TRP  HD1          49 TRP  HB-         4.50    (#   1217:20  Unique         2.51, 3.09 A)
 &rst
  ixpk= 1217, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#    0 AMB  20-2:1218     0 AMB  20-1:1218   3.50    (#   1218:20  Double Ambig)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1684, 770,
 igr2=1692,1693, 297, 298,
 &end
#
#    0 AMB  20-2:1219   112 LYS  HD-         3.50    (#   1219:20  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,
 &end
#
#   90 VAL  MGY          79 ILE  HG1+        3.50    (#   1220:20  Unique         2.29, 3.82 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1177,1178,
 &end
#
#    0 AMB  20-2:1223     0 AMB  20-1:1223   4.50    (#   1223:20  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1695,1696, 300, 301,
 igr2=1692,1693, 297, 298,
 &end
#
#    0 AMB  20-2:1225     0 AMB  20-1:1225   2.80    (#   1225:20  Double Ambig)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,1692,1693,
 &end
#
#   49 TRP  HA           49 TRP  HB+         2.80    (#   1229:20  Unique         2.29, 2.40 A)
 &rst
  ixpk= 1229, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 738, 739,
 &end
#
#   49 TRP  HD1          49 TRP  HB+         4.50    (#   1231:20  Unique         2.51, 3.09 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#   79 ILE  HA           79 ILE  HG1-        5.50    (#   1232:20  Unique         2.62, 2.73 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1177,1178,
 &end
#
#    0 AMB  20-2:1233     0 AMB  20-1:1233   5.50    (#   1233:20  Double Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 847, 334,
 igr2= 853, 854, 853, 854,
 &end
#
#    0 AMB  20-2:1234     0 AMB  20-1:1234   7.00    (#   1234:20  Double Ambig)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 847, 334,
 igr2= 853, 854, 853, 854,
 &end
#
#    0 AMB  20-2:1236     0 AMB  20-1:1236   4.50    (#   1236:20  Double Ambig)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 168, 169, 170, 172, 173, 174, 762, 763, 764, 856,
       857, 858,
 igr2=1692,1693, 297, 298,
 &end
#
#   49 TRP  HA           49 TRP  HB-         2.80    (#   1237:20  Unique         2.29, 2.40 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 738, 739,
 &end
#
#   49 TRP  HE3          49 TRP  HB-         7.00    (#   1238:20  Unique         2.93, 3.63 A)
 &rst
  ixpk= 1238, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 738, 739,
 &end
#
#   49 TRP  HE3          49 TRP  HB+         4.50    (#   1241:20  Unique         2.93, 3.63 A)
 &rst
  ixpk= 1241, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 738, 739,
 &end
#
#    0 AMB  20-2:1242     0 AMB  20-1:1242   4.50    (#   1242:20  Double Ambig)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1695,1696, 300, 301,
 igr2=1692,1693, 297, 298,
 &end
#
#    0 AMB  20-2:1247     0 AMB  20-1:1247   3.50    (#   1247:20  Double Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1695,1696, 300, 301,
 igr2=1692,1693, 297, 298,
 &end
#
#   56 ILE  HN           56 ILE  HG1+        4.50    (#   1254:20  Unique         1.74, 2.28 A)
 &rst
  ixpk= 1254, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 853, 854,
 &end
#
#   56 ILE  HN           56 ILE  HG1-        3.50    (#   1255:20  Unique         1.74, 2.28 A)
 &rst
  ixpk= 1255, nxpk= 20, iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 853, 854,
 &end
#
#   56 ILE  QD1          56 ILE  HG1+        3.50    (#   1256:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1258     0 AMB  20-1:1258   2.80    (#   1258:20  Double Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342, 849, 850, 851,
 igr2= 853, 854, 853, 854, 853, 854, 853, 854,
 &end
#
#    0 AMB  20-2:1262    56 ILE  HG1-        2.80    (#   1262:20  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 853, 854,
 &end
#
#   56 ILE  HA           56 ILE  HG1+        4.50    (#   1263:20  Unique         3.57, 3.77 A)
 &rst
  ixpk= 1263, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1266     0 AMB  20-1:1266   2.80    (#   1266:20  Double Ambig)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1695,1696, 908, 909, 300, 301, 154, 155,1153,1154,
      
 igr2=1692,1693, 905, 906, 297, 298, 297, 298,
 &end
#
#   49 TRP  HH2          59 LYS  HD+         4.50    (#   1268:20  Unique         2.72, 3.60 A)
 &rst
  ixpk= 1268, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 905, 906,
 &end
#
#    0 AMB  20-2:1269     0 AMB  20-1:1269   4.50    (#   1269:20  Double Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 897,1138,1139,
 igr2= 905, 906, 297, 298,
 &end
#
#   49 TRP  HZ2          59 LYS  HD+         4.50    (#   1270:20  Unique         4.08, 4.91 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 905, 906,
 &end
#
#   59 LYS  HB+          59 LYS  HD+         2.80    (#   1272:20  Unique         2.35, 2.84 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 899, 900,
 igr2= 905, 906,
 &end
#
#   59 LYS  HG+          59 LYS  HD+         2.80    (#   1274:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 905, 906,
 &end
#
#    0 AMB  20-2:1276     0 AMB  20-1:1276   3.50    (#   1276:20  Double Ambig)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1616,1617,1619,1620,1660,1661,
 igr2=1598,1599,1598,1599,1598,1599,
 &end
#
#    0 AMB  20-2:1277     0 AMB  20-1:1277   3.50    (#   1277:20  Double Ambig)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1613,1654,1655,1554,1660,1661,
 igr2=1598,1599,1598,1599,1598,1599,1598,1599,
 &end
#
#    0 AMB  20-2:1278    56 ILE  HG1-        3.50    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 847, 334,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1279     0 AMB  20-1:1279   3.50    (#   1279:20  Double Ambig)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 845,1652, 787, 788,1138,1139,
 igr2= 853, 854, 905, 906,1660,1661, 297, 298, 297, 298,
      
 &end
#
#   66 LYS  HA           66 LYS  HD+         4.50    (#   1280:20  Unique         4.49, 4.76 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#    0 AMB  20-2:1283     0 AMB  20-1:1283   4.50    (#   1283:20  Double Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1563,1564,1565,1556,1557,1558,
 igr2=1598,1599,1598,1599,
 &end
#
#   63 ASP  HA           66 LYS  HD+         4.50    (#   1284:20  Unique         3.59, 4.31 A)
 &rst
  ixpk= 1284, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#  104 ILE  HA          107 GLU  HB+         3.50    (#   1286:20  Unique         2.57, 3.85 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1598,1599,
 &end
#
#   66 LYS  HG-          66 LYS  HD+         2.80    (#   1287:20  Unique         2.41, 2.62 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1004,1005,
 igr2=1007,1008,
 &end
#
#  107 GLU  HN          107 GLU  HB+         2.80    (#   1288:20  Unique         2.32, 2.98 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1598,1599,
 &end
#
#    0 AMB  20-2:1289     0 AMB  20-1:1289   5.50    (#   1289:20  Double Ambig)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1=1619,1620,1676,1677,1678,1560,1561,
 igr2=1598,1599,1598,1599,1598,1599,
 &end
#
#  107 GLU  HG-         107 GLU  HB+         2.80    (#   1290:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1601,1602,
 igr2=1598,1599,
 &end
#
#   66 LYS  HE+          66 LYS  HD+         2.80    (#   1291:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1010,1011,
 igr2=1007,1008,
 &end
#
#  107 GLU  HG+         107 GLU  HB+         2.80    (#   1292:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1601,1602,
 igr2=1598,1599,
 &end
#
#  107 GLU  HA          107 GLU  HB+         2.80    (#   1294:20  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1598,1599,
 &end
#
#   66 LYS  HB+          66 LYS  HD+         2.80    (#   1295:20  Unique         2.34, 3.20 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1001,1002,
 igr2=1007,1008,
 &end
#
#   87 LYS  HB+          87 LYS  HD+         2.80    (#   1296:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1297,1298,
 igr2=1303,1304,
 &end
#
#    0 AMB  20-2:1297     0 AMB  20-1:1297   5.50    (#   1297:20  Double Ambig)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1611,1674,
 igr2=1598,1599,1598,1599,
 &end
#
#    0 AMB  20-2:1298     0 AMB  20-1:1298   5.50    (#   1298:20  Double Ambig)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 923, 924, 925, 927, 928, 929,1586,1587,1588,1809,
      1810,1811,
 igr2= 905, 906,1660,1661,
 &end
#
#   66 LYS  HN           66 LYS  HD+         4.50    (#   1301:20  Unique         4.74, 5.30 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1007,1008,
 &end
#
#  110 LYS  HE-         110 LYS  HD-         4.50    (#   1302:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#  110 LYS  HG-         110 LYS  HD+         3.50    (#   1303:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1660,1661,
 &end
#
#  108 LYS  HG+         107 GLU  HB+         5.50    (#   1311:20  Unique         3.20, 4.45 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1616,1617,
 igr2=1598,1599,
 &end
#
#  118 VAL  MGY         110 LYS  HD+         4.50    (#   1313:20  Unique         3.00, 6.08 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1660,1661,
 &end
#
#  110 LYS  HN          110 LYS  HD-         5.50    (#   1314:20  Unique         3.93, 4.47 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1660,1661,
 &end
#
#  110 LYS  HA          110 LYS  HD+         5.50    (#   1315:20  Unique         4.26, 4.58 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1660,1661,
 &end
#
#  110 LYS  HE+         110 LYS  HD-         3.50    (#   1317:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#  110 LYS  HE-         110 LYS  HD+         4.50    (#   1318:20  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1663,1664,
 igr2=1660,1661,
 &end
#
#   87 LYS  HG-          87 LYS  HD+         2.80    (#   1319:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   87 LYS  HG+          87 LYS  HD+         2.80    (#   1321:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   87 LYS  HG+          87 LYS  HD-         2.80    (#   1325:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#   87 LYS  HE+          87 LYS  HD+         3.50    (#   1326:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1306,1307,
 igr2=1303,1304,
 &end
#
#   87 LYS  HE+          87 LYS  HD-         2.80    (#   1327:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1306,1307,
 igr2=1303,1304,
 &end
#
#   87 LYS  HG-          87 LYS  HD-         3.50    (#   1328:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1303,1304,
 &end
#
#    4 ALA  MB           67 GLN  HB3         4.50    (#   1330:20  Unique         2.67, 4.02 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#   54 ALA  HN           53 HIS  HB+         5.50    (#   1331:20  Unique         2.82, 3.55 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   97 TYR  HD           53 HIS  HB-         5.50    (#   1332:20  Unique         2.78, 5.33 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#   67 GLN  HN           67 GLN  HB3         4.50    (#   1333:20  Unique         3.62, 3.65 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 MET  HA           67 GLN  HB2         4.50    (#   1336:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1336, nxpk= 20, iat= 965,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLN  HA           67 GLN  HB2         3.50    (#   1337:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLN  HA           67 GLN  HB3         2.80    (#   1338:20  Unique         2.41, 2.44 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=1021,1024, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLN  HN           67 GLN  HB2         3.50    (#   1339:20  Unique         2.52, 2.59 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLY  HN           67 GLN  HB2         5.50    (#   1340:20  Unique         2.43, 3.02 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 HIS  HA           53 HIS  HB-         3.50    (#   1342:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1342, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:1344     0 AMB  20-1:1344   3.50    (#   1344:20  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 808, 809, 808, 809, 808, 809,
 &end
#
#   97 TYR  HE           53 HIS  HB+         5.50    (#   1345:20  Unique         2.47, 5.39 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2= 808, 809,
 &end
#
#   53 HIS  HA           53 HIS  HB+         5.50    (#   1346:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   97 TYR  HE           53 HIS  HB-         5.50    (#   1352:20  Unique         2.47, 5.39 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1469,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:1353    53 HIS  HB-         3.50    (#   1353:20  Single Ambig)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 808, 809,
 &end
#
#   54 ALA  HN           53 HIS  HB-         5.50    (#   1357:20  Unique         2.82, 3.55 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 808, 809,
 &end
#
#   97 TYR  HD           53 HIS  HB-         5.50    (#   1358:20  Unique         2.78, 5.33 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:1359    67 GLN  HB3         5.50    (#   1359:20  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 982,
 &end
#
#   97 TYR  HD           53 HIS  HB+         4.50    (#   1360:20  Unique         2.78, 5.33 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1462,1471,
 igr2= 808, 809,
 &end
#
#   53 HIS  HA           53 HIS  HB+         4.50    (#   1361:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1361, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 808, 809,
 &end
#
#   42 GLU  HG+          42 GLU  HB-         3.50    (#   1364:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 617, 618,
 igr2= 614, 615,
 &end
#
#   43 ILE  HN           41 LYS  HD-         5.50    (#   1367:20  Unique         5.29, 6.28 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 598, 599,
 &end
#
#    9 ILE  QD1          41 LYS  HD-         2.80    (#   1368:20  Unique         2.64, 3.92 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 130, 131, 132,
 igr2= 598, 599,
 &end
#
#   43 ILE  HN           42 GLU  HB-         5.50    (#   1369:20  Unique         2.75, 3.55 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#   41 LYS  HE-          41 LYS  HD+         4.50    (#   1370:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#   41 LYS  HE+          41 LYS  HD+         4.50    (#   1371:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#   43 ILE  HN           42 GLU  HB+         5.50    (#   1372:20  Unique         2.75, 3.55 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#  108 LYS  HE+          42 GLU  HB-         5.50    (#   1373:20  Unique         2.30, 4.89 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2= 614, 615,
 &end
#
#  108 LYS  HE+          42 GLU  HB+         5.50    (#   1374:20  Unique         2.30, 4.89 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1622,1623,
 igr2= 614, 615,
 &end
#
#   24 LEU  MDY          42 GLU  HB+         4.50    (#   1375:20  Unique         2.27, 4.20 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 614, 615,
 &end
#
#   42 GLU  HN           42 GLU  HB+         3.50    (#   1376:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#   43 ILE  HN           42 GLU  HB+         5.50    (#   1377:20  Unique         2.75, 3.55 A)
 &rst
  ixpk= 1377, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 614, 615,
 &end
#
#   41 LYS  HE-          41 LYS  HD-         4.50    (#   1378:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#   42 GLU  HA           42 GLU  HB+         4.50    (#   1379:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1379, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#    0 AMB  20-2:1381     0 AMB  20-1:1381   3.50    (#   1381:20  Double Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,1563,
      1564,1565,
 igr2= 614, 615, 614, 615, 614, 615,
 &end
#
#   42 GLU  HN           42 GLU  HB-         4.50    (#   1382:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 1382, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 614, 615,
 &end
#
#   41 LYS  HG+          41 LYS  HD-         4.50    (#   1384:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#   41 LYS  HE+          41 LYS  HD-         4.50    (#   1385:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#   41 LYS  HG+          41 LYS  HD+         4.50    (#   1386:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#    0 AMB  20-2:1389    69 CYS  HB2         4.50    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 982,
 &end
#
#   64 MET  HB2          69 CYS  HB2         4.50    (#   1390:20  Unique         3.16, 3.26 A)
 &rst
  ixpk= 1390, nxpk= 20, iat= 967,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1392    41 LYS  HD-         5.50    (#   1392:20  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 590,  59,
 igr2= 598, 599,
 &end
#
#    0 AMB  20-2:1393   117 GLU  HB-         4.50    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1303,1304,1303,1304,
 igr2=1776,1777,
 &end
#
#   27 VAL  MGY          69 CYS  HB3         2.80    (#   1395:20  Unique         2.33, 4.11 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#   27 VAL  MGY          69 CYS  HB2         3.50    (#   1396:20  Unique         2.99, 4.80 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#   64 MET  HB2          69 CYS  HB3         4.50    (#   1397:20  Unique         4.52, 4.54 A)
 &rst
  ixpk= 1397, nxpk= 20, iat= 967,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 MET  HB3          69 CYS  HB2         3.50    (#   1399:20  Unique         2.03, 2.04 A)
 &rst
  ixpk= 1399, nxpk= 20, iat= 968,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ASP  HN           69 CYS  HB3         4.50    (#   1400:20  Unique         2.09, 2.11 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=1054,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 CYS  HA           69 CYS  HB3         2.80    (#   1406:20  Unique         2.42, 2.47 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=1045,1048, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 CYS  HA           69 CYS  HB2         3.50    (#   1407:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ASP  HN           69 CYS  HB2         5.50    (#   1410:20  Unique         3.08, 3.18 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=1054,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 MET  HB3          69 CYS  HB3         3.50    (#   1411:20  Unique         3.05, 3.12 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 968,1048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 CYS  HN           69 CYS  HB2         3.50    (#   1412:20  Unique         2.31, 2.46 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 CYS  HN           69 CYS  HB3         4.50    (#   1414:20  Unique         3.50, 3.52 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1421     0 AMB  20-1:1421   3.50    (#   1421:20  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 igr2=1641,1642,1641,1642,
 &end
#
#   51 GLU  HN           51 GLU  HB+         3.50    (#   1427:20  Unique         2.18, 2.93 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#   51 GLU  HA           51 GLU  HB+         3.50    (#   1428:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1428, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#   52 TYR  HD           51 GLU  HB+         4.50    (#   1429:20  Unique         2.51, 4.77 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 800,
 igr2= 772, 773,
 &end
#
#  109 ILE  HA          109 ILE  HG1+        5.50    (#   1434:20  Unique         2.55, 2.68 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#  109 ILE  QD1         109 ILE  HG1-        3.50    (#   1435:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1644,1645,1646,
 igr2=1641,1642,
 &end
#
#   52 TYR  HE           51 GLU  HB+         5.50    (#   1436:20  Unique         2.75, 5.14 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 793, 798,
 igr2= 772, 773,
 &end
#
#   87 LYS  HB+         117 GLU  HB+         4.50    (#   1437:20  Unique         3.03, 5.10 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1776,1777,
 &end
#
#  117 GLU  HG-         117 GLU  HB-         2.80    (#   1444:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1779,1780,
 igr2=1776,1777,
 &end
#
#   51 GLU  HA           51 GLU  HB-         2.80    (#   1445:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 772, 773,
 &end
#
#    0 AMB  20-2:1446     0 AMB  20-1:1446   5.50    (#   1446:20  Double Ambig)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 736, 760,
 igr2= 772, 773, 772, 773,
 &end
#
#  117 GLU  HA          117 GLU  HB+         3.50    (#   1447:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  117 GLU  HA          117 GLU  HB-         3.50    (#   1448:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#   52 TYR  HE           51 GLU  HB-         5.50    (#   1449:20  Unique         2.75, 5.14 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 793, 798,
 igr2= 772, 773,
 &end
#
#   52 TYR  HD           51 GLU  HB-         4.50    (#   1450:20  Unique         2.51, 4.77 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 800,
 igr2= 772, 773,
 &end
#
#   52 TYR  HN           51 GLU  HB-         3.50    (#   1451:20  Unique         3.31, 3.79 A)
 &rst
  ixpk= 1451, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#  118 VAL  HN          117 GLU  HB-         4.50    (#   1453:20  Unique         3.45, 3.78 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1776,1777,
 &end
#
#   51 GLU  HN           51 GLU  HB-         3.50    (#   1454:20  Unique         2.18, 2.93 A)
 &rst
  ixpk= 1454, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#   87 LYS  HG-         117 GLU  HB-         4.50    (#   1455:20  Unique         2.23, 4.87 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#   87 LYS  HG+         117 GLU  HB+         5.50    (#   1456:20  Unique         2.23, 4.87 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:1457     0 AMB  20-1:1457   5.50    (#   1457:20  Double Ambig)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1303,1304,1303,1304,
 igr2=1776,1777,1776,1777,
 &end
#
#    0 AMB  20-2:1459   109 ILE  HG1-        3.50    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656, 203, 204, 205,
 igr2=1641,1642,
 &end
#
#  109 ILE  HN          109 ILE  HG1+        4.50    (#   1460:20  Unique         2.35, 3.12 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1641,1642,
 &end
#
#    0 AMB  20-2:1461   109 ILE  HG1-        4.50    (#   1461:20  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1633,1574,
 igr2=1641,1642,
 &end
#
#  117 GLU  HG+         117 GLU  HB-         3.50    (#   1462:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1779,1780,
 igr2=1776,1777,
 &end
#
#  109 ILE  QD1         109 ILE  HG1+        3.50    (#   1463:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1644,1645,1646,
 igr2=1641,1642,
 &end
#
#    0 AMB  20-2:1464   109 ILE  HG1-        4.50    (#   1464:20  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 168, 169, 170, 172, 173, 174, 200, 201,
 igr2=1641,1642,
 &end
#
#    0 AMB  20-2:1465   109 ILE  HG1-        4.50    (#   1465:20  Single Ambig)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1635, 200, 201,1614,
 igr2=1641,1642,
 &end
#
#  109 ILE  HA          109 ILE  HG1+        5.50    (#   1466:20  Unique         2.55, 2.68 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#  109 ILE  HN          109 ILE  HG1-        5.50    (#   1468:20  Unique         2.35, 3.12 A)
 &rst
  ixpk= 1468, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1641,1642,
 &end
#
#   87 LYS  HG-         117 GLU  HB+         4.50    (#   1470:20  Unique         2.23, 4.87 A)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1300,1301,
 igr2=1776,1777,
 &end
#
#  118 VAL  HN          117 GLU  HB+         5.50    (#   1472:20  Unique         3.45, 3.78 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#   52 TYR  HN           51 GLU  HB+         3.50    (#   1475:20  Unique         3.31, 3.79 A)
 &rst
  ixpk= 1475, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 772, 773,
 &end
#
#    0 AMB  20-2:1476    51 GLU  HB-         4.50    (#   1476:20  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 736, 760,
 igr2= 772, 773,
 &end
#
#    0 AMB  20-2:1481     0 AMB  20-1:1481   5.50    (#   1481:20  Double Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 736, 760,
 igr2= 772, 773, 772, 773,
 &end
#
#  102 HIS  HA          102 HIS  HB3         3.50    (#   1489:20  Unique         2.42, 2.44 A)
 &rst
  ixpk= 1489, nxpk= 20, iat=1525,1528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1492   102 HIS  HB2         5.50    (#   1492:20  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1821,1822,1821,1822,
 &end
#
#    0 AMB  20-2:1493   102 HIS  HB3         5.50    (#   1493:20  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1834,1496,1832,1594,1344,
 &end
#
#    0 AMB  20-2:1494   102 HIS  HB2         5.50    (#   1494:20  Single Ambig)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1834,1832,1496,
 &end
#
#   90 VAL  MGX         102 HIS  HB3         3.50    (#   1498:20  Unique         3.02, 4.31 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   90 VAL  MGX         102 HIS  HB2         5.50    (#   1499:20  Unique         4.43, 5.93 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:1500   102 HIS  HB2         3.50    (#   1500:20  Single Ambig)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1525,1508,
 &end
#
#  102 HIS  HN          102 HIS  HB2         4.50    (#   1501:20  Unique         2.61, 2.63 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=1523,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 HIS  HN          102 HIS  HB3         4.50    (#   1504:20  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=1523,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 TYR  HB+          99 PRO  HB+         4.50    (#   1505:20  Unique         2.27, 3.92 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1399,1400,
 igr2=1489,1490,
 &end
#
#    0 AMB  20-2:1506   102 HIS  HB2         4.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1821,1822,1821,1822,
 &end
#
#   90 VAL  HB          102 HIS  HB3         5.50    (#   1507:20  Unique         2.35, 2.61 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=1355,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1510   102 HIS  HB2         5.50    (#   1510:20  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,1527, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1834,1832,1496,
 &end
#
#   99 PRO  HA           99 PRO  HB+         4.50    (#   1519:20  Unique         2.30, 2.53 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
#  100 ALA  HN           99 PRO  HB-         5.50    (#   1520:20  Unique         3.35, 3.71 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1489,1490,
 &end
#
#   99 PRO  HA           99 PRO  HB-         4.50    (#   1523:20  Unique         2.30, 2.53 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1489,1490,
 &end
#
#  108 LYS  HA          108 LYS  HB2         4.50    (#   1524:20  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 LYS  HG+         108 LYS  HB3         5.50    (#   1525:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1616,1617,
 &end
#
#  108 LYS  HD-         108 LYS  HB2         4.50    (#   1526:20  Unique         2.52, 3.28 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1619,1620,
 &end
#
#  108 LYS  HG+         108 LYS  HB2         3.50    (#   1527:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1616,1617,
 &end
#
#  108 LYS  HD-         108 LYS  HB3         4.50    (#   1528:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1619,1620,
 &end
#
#  108 LYS  HG+         108 LYS  HB3         3.50    (#   1533:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1616,1617,
 &end
#
#   44 VAL  MGY         108 LYS  HB3         5.50    (#   1535:20  Unique         3.06, 5.22 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  108 LYS  HN          108 LYS  HB3         5.50    (#   1536:20  Unique         3.53, 3.58 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 HIS  HA           81 HIS  HB-         5.50    (#   1539:20  Unique         2.34, 2.58 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#  108 LYS  HA          108 LYS  HB3         3.50    (#   1540:20  Unique         2.40, 2.48 A)
 &rst
  ixpk= 1540, nxpk= 20, iat=1611,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 LYS  HN          108 LYS  HB2         3.50    (#   1541:20  Unique         2.29, 2.42 A)
 &rst
  ixpk= 1541, nxpk= 20, iat=1609,1613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1542   108 LYS  HB3         3.50    (#   1542:20  Single Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 &end
#
#  108 LYS  HN          108 LYS  HB3         4.50    (#   1551:20  Unique         3.53, 3.58 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1557     0 AMB  20-1:1557   3.50    (#   1557:20  Double Ambig)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1112,1113,1114,1116,1117,1118, 650, 651, 652, 654,
       655, 656, 168, 169, 170, 172, 173, 174,
 igr2= 388,1613,
 &end
#
#  108 LYS  HA          108 LYS  HB2         4.50    (#   1559:20  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 PRO  HD+         114 PRO  HB+         5.50    (#   1561:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1726,1727,
 igr2=1732,1733,
 &end
#
#   81 HIS  HA           81 HIS  HB+         4.50    (#   1562:20  Unique         2.34, 2.58 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1201,1202,
 &end
#
#    0 AMB  20-2:1565     0 AMB  20-1:1565   3.50    (#   1565:20  Double Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1637,1638,1639,1112,1113,1114,1116,1117,1118,
 igr2=1732,1733, 389,
 &end
#
#   26 ARG  HN           26 ARG  HB3         4.50    (#   1566:20  Unique         2.30, 2.40 A)
 &rst
  ixpk= 1566, nxpk= 20, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 MET  HG-          95 MET  HB+         4.50    (#   1568:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1431,1432,
 &end
#
#    0 AMB  20-2:1569    26 ARG  HB2         4.50    (#   1569:20  Single Ambig)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 408,
 &end
#
#   95 MET  HG+          95 MET  HB-         4.50    (#   1571:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1431,1432,
 &end
#
#    6 LEU  MDX          39 GLU  HB+         3.50    (#   1575:20  Unique         2.52, 5.13 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 566, 567,
 &end
#
#   95 MET  HA           95 MET  HB+         5.50    (#   1580:20  Unique         2.40, 2.71 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1431,1432,
 &end
#
#   81 HIS  HA           81 HIS  HB-         5.50    (#   1581:20  Unique         2.34, 2.58 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#    0 AMB  20-2:1582     0 AMB  20-1:1582   3.50    (#   1582:20  Double Ambig)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 569, 570, 569, 570,
 igr2= 566, 567, 566, 567,
 &end
#
#   26 ARG  HA           26 ARG  HB3         5.50    (#   1583:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1585     0 AMB  20-1:1585   4.50    (#   1585:20  Double Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1= 203, 204, 205,1689,1690,1112,1113,1114,1116,1117,
      1118, 168, 169, 170, 172, 173, 174,
 igr2=1732,1733, 389,
 &end
#
#   95 MET  HG+          95 MET  HB+         4.50    (#   1589:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1435,
 igr2=1431,1432,
 &end
#
#    0 AMB  20-2:1590     0 AMB  20-1:1590   4.50    (#   1590:20  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1429, 965,
 igr2=1431,1432, 967,
 &end
#
#    0 AMB  20-2:1597     0 AMB  20-1:1597   4.50    (#   1597:20  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 984, 985,
 igr2=1001,1002,1001,1002,
 &end
#
#   26 ARG  HA           26 ARG  HB2         4.50    (#   1599:20  Unique         2.43, 2.49 A)
 &rst
  ixpk= 1599, nxpk= 20, iat= 386, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ARG  HG+          26 ARG  HB3         5.50    (#   1600:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#    0 AMB  20-2:1602     0 AMB  20-1:1602   4.50    (#   1602:20  Double Ambig)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 522, 523, 524, 546, 547, 548,
 igr2= 469, 470, 535, 536,
 &end
#
#   39 GLU  HA           39 GLU  HB+         3.50    (#   1603:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#    6 LEU  MDY          39 GLU  HB-         5.50    (#   1606:20  Unique         2.52, 5.13 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 566, 567,
 &end
#
#   27 VAL  MGY          64 MET  HB3         5.50    (#   1609:20  Unique         2.67, 4.11 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    0 AMB  20-2:1611    64 MET  HB3         5.50    (#   1611:20  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 980,1066,
 &end
#
#   32 ARG  HD+          32 ARG  HB-         5.50    (#   1612:20  Unique         2.31, 3.16 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 486, 487,
 igr2= 480, 481,
 &end
#
#   26 ARG  HA           26 ARG  HB3         5.50    (#   1614:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1619     0 AMB  20-1:1619   4.50    (#   1619:20  Double Ambig)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 391, 392, 200, 201, 168, 169, 170, 172, 173, 174,
      
 igr2= 389,1732,1733,
 &end
#
#  114 PRO  HD-         114 PRO  HB+         4.50    (#   1620:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1726,1727,
 igr2=1732,1733,
 &end
#
#  114 PRO  HD+         114 PRO  HB+         4.50    (#   1622:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1726,1727,
 igr2=1732,1733,
 &end
#
#   69 CYS  HB2          64 MET  HB2         4.50    (#   1624:20  Unique         3.16, 3.26 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=1047, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 PRO  HD+         114 PRO  HB-         4.50    (#   1625:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1726,1727,
 igr2=1732,1733,
 &end
#
#  109 ILE  HG1+        114 PRO  HB+         4.50    (#   1626:20  Unique         4.77, 6.03 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1641,1642,
 igr2=1732,1733,
 &end
#
#   37 ALA  HN           36 PRO  HB+         5.50    (#   1629:20  Unique         2.15, 3.87 A)
 &rst
  ixpk= 1629, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 535, 536,
 &end
#
#   40 SER  HN           39 GLU  HB+         3.50    (#   1630:20  Unique         2.01, 2.77 A)
 &rst
  ixpk= 1630, nxpk= 20, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:1631     0 AMB  20-1:1631   3.50    (#   1631:20  Double Ambig)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372, 373, 355, 356, 357, 359, 360, 361,
 igr2= 921, 388,
 &end
#
#  113 TYR  HA          114 PRO  HB+         5.50    (#   1633:20  Unique         5.03, 5.69 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1732,1733,
 &end
#
#    0 AMB  20-2:1634    60 VAL  HB          2.80    (#   1634:20  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 923, 924, 925, 927, 928, 929, 378, 379, 380, 336,
       337, 338, 340, 341, 342,
 &end
#
#   60 VAL  MGY          60 VAL  HB          2.80    (#   1637:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   69 CYS  HB2          64 MET  HB2         4.50    (#   1638:20  Unique         3.16, 3.26 A)
 &rst
  ixpk= 1638, nxpk= 20, iat=1047, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HN           60 VAL  HB          3.50    (#   1639:20  Unique         2.40, 2.44 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HN           64 MET  HB3         5.50    (#   1640:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1642    60 VAL  HB          3.50    (#   1642:20  Single Ambig)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 919, 864, 670, 671,
 &end
#
#   26 ARG  HG+          26 ARG  HB3         5.50    (#   1643:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   64 MET  HA           64 MET  HB3         4.50    (#   1644:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 1644, nxpk= 20, iat= 965, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 PRO  HA          114 PRO  HB-         3.50    (#   1645:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1732,1733,
 &end
#
#   32 ARG  HA           32 ARG  HB-         5.50    (#   1646:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1646, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#   64 MET  HN           64 MET  HB3         5.50    (#   1647:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  114 PRO  HA          114 PRO  HB+         2.80    (#   1648:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1732,1733,
 &end
#
#    0 AMB  20-2:1652    64 MET  HB2         4.50    (#   1652:20  Single Ambig)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 970, 971, 987, 988,
 &end
#
#   64 MET  HN           64 MET  HB2         4.50    (#   1653:20  Unique         2.48, 2.54 A)
 &rst
  ixpk= 1653, nxpk= 20, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 SER  HN           60 VAL  HB          3.50    (#   1654:20  Unique         2.65, 2.75 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1655     0 AMB  20-1:1655   2.80    (#   1655:20  Double Ambig)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1729,1730,1081,1082,
 igr2=1732,1733, 389,
 &end
#
#    0 AMB  20-2:1656    64 MET  HB2         4.50    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 982,
 &end
#
#   69 CYS  HB3          64 MET  HB3         4.50    (#   1658:20  Unique         3.05, 3.12 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=1048, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1659   114 PRO  HB-         4.50    (#   1659:20  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1739, 190,
 igr2=1732,1733,
 &end
#
#   61 SER  HA           64 MET  HB2         5.50    (#   1660:20  Unique         2.28, 2.38 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 GLU  HG+          26 ARG  HB3         5.50    (#   1661:20  Unique         4.39, 5.43 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#   64 MET  HG-          64 MET  HB3         3.50    (#   1662:20  Unique         2.41, 2.72 A)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#   64 MET  HG+          64 MET  HB3         4.50    (#   1665:20  Unique         2.41, 2.72 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 970, 971,
 &end
#
#    0 AMB  20-2:1666     0 AMB  20-1:1666   5.50    (#   1666:20  Double Ambig)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1739, 190,
 igr2=1732,1733,1732,1733,
 &end
#
#   69 CYS  HB2          64 MET  HB3         4.50    (#   1667:20  Unique         2.03, 2.04 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=1047, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 MET  HN           64 MET  HB2         4.50    (#   1668:20  Unique         2.48, 2.54 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 GLN  HN           64 MET  HB2         5.50    (#   1669:20  Unique         2.53, 2.55 A)
 &rst
  ixpk= 1669, nxpk= 20, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LYS  HE+          66 LYS  HB+         5.50    (#   1670:20  Unique         1.96, 3.10 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1011,
 igr2=1001,1002,
 &end
#
#   66 LYS  HA           66 LYS  HB+         2.80    (#   1671:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1001,1002,
 &end
#
#   61 SER  HA           64 MET  HB2         5.50    (#   1672:20  Unique         2.28, 2.38 A)
 &rst
  ixpk= 1672, nxpk= 20, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HA           66 LYS  HB+         3.50    (#   1673:20  Unique         2.33, 2.93 A)
 &rst
  ixpk= 1673, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1001,1002,
 &end
#
#   67 GLN  HN           66 LYS  HB+         3.50    (#   1674:20  Unique         2.58, 3.38 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1001,1002,
 &end
#
#   66 LYS  HN           66 LYS  HB+         2.80    (#   1675:20  Unique         2.25, 2.44 A)
 &rst
  ixpk= 1675, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1001,1002,
 &end
#
#    0 AMB  20-2:1676     0 AMB  20-1:1676   2.80    (#   1676:20  Double Ambig)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1004,1005,1007,1008,
 igr2=1001,1002,1001,1002,
 &end
#
#   66 LYS  HE+          66 LYS  HB+         5.50    (#   1677:20  Unique         1.96, 3.10 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1010,1011,
 igr2=1001,1002,
 &end
#
#   66 LYS  HG-          66 LYS  HB+         2.80    (#   1679:20  Unique         2.33, 2.77 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1004,1005,
 igr2=1001,1002,
 &end
#
#    0 AMB  20-2:1680   110 LYS  HB-         5.50    (#   1680:20  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1779,1780,1598,1599,
 igr2=1654,1655,
 &end
#
#  118 VAL  HN          118 VAL  HB          4.50    (#   1681:20  Unique         3.26, 3.66 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 VAL  HA          118 VAL  HB          4.50    (#   1685:20  Unique         2.46, 2.58 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=1789,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1686   118 VAL  HB          2.80    (#   1686:20  Single Ambig)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   12 VAL  MGY         112 LYS  HB-         4.50    (#   1687:20  Unique         2.82, 4.57 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1686,1687,
 &end
#
#  118 VAL  HN          118 VAL  HB          4.50    (#   1689:20  Unique         3.26, 3.66 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1690   110 LYS  HB-         2.80    (#   1690:20  Single Ambig)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1657,1658,1660,1661,
 igr2=1654,1655,
 &end
#
#  111 ALA  HN          110 LYS  HB+         4.50    (#   1691:20  Unique         2.67, 3.22 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#   12 VAL  MGY         112 LYS  HB+         5.50    (#   1692:20  Unique         2.82, 4.57 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1686,1687,
 &end
#
#  110 LYS  HG-         110 LYS  HB-         3.50    (#   1693:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1654,1655,
 &end
#
#   72 GLU  HN           71 CYS  HB3         4.50    (#   1697:20  Unique         2.41, 2.45 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=1077,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HA          110 LYS  HB-         3.50    (#   1698:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#   72 GLU  HN           71 CYS  HB2         4.50    (#   1699:20  Unique         3.47, 3.53 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=1077,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HN          110 LYS  HB+         3.50    (#   1700:20  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#    0 AMB  20-2:1702     0 AMB  20-1:1702   3.50    (#   1702:20  Double Ambig)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1726,1727,1684,
 igr2=1686,1687,1686,1687,
 &end
#
#    0 AMB  20-2:1704   112 LYS  HB-         3.50    (#   1704:20  Single Ambig)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1726,1727,1684,
 igr2=1686,1687,
 &end
#
#   61 SER  HB+          71 CYS  HB2         5.50    (#   1705:20  Unique         2.47, 3.52 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   57 TYR  HE           71 CYS  HB2         4.50    (#   1706:20  Unique         3.35, 5.12 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 872, 877,
 &end
#
#  110 LYS  HN          110 LYS  HB-         3.50    (#   1707:20  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#   57 TYR  HE           71 CYS  HB3         4.50    (#   1708:20  Unique         2.89, 5.56 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 872, 877,
 &end
#
#   71 CYS  HN           71 CYS  HB3         4.50    (#   1709:20  Unique         3.87, 3.89 A)
 &rst
  ixpk= 1709, nxpk= 20, iat=1066,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 CYS  HA           71 CYS  HB3         3.50    (#   1710:20  Unique         2.40, 2.42 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=1068,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  111 ALA  HN          110 LYS  HB-         4.50    (#   1711:20  Unique         2.67, 3.22 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#    0 AMB  20-2:1714    71 CYS  HB2         3.50    (#   1714:20  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 378, 379, 380, 414, 415, 416, 418, 419, 420,
 &end
#
#  107 GLU  HA          110 LYS  HB-         3.50    (#   1715:20  Unique         2.73, 3.86 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#   71 CYS  HA           71 CYS  HB2         3.50    (#   1716:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1717    71 CYS  HB3         2.80    (#   1717:20  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 378, 379, 380, 414, 415, 416, 418, 419, 420,
 &end
#
#   61 SER  HB+          71 CYS  HB3         5.50    (#   1719:20  Unique         3.58, 4.84 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#  113 TYR  HN          112 LYS  HB+         5.50    (#   1722:20  Unique         2.44, 3.43 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1686,1687,
 &end
#
#   71 CYS  HN           71 CYS  HB2         3.50    (#   1723:20  Unique         2.80, 2.87 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          112 LYS  HB-         3.50    (#   1724:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#   61 SER  HB-          71 CYS  HB3         5.50    (#   1725:20  Unique         3.58, 4.84 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#  118 VAL  MGY         110 LYS  HB-         4.50    (#   1726:20  Unique         4.48, 6.53 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1793,1794,1795,1797,1798,1799,
 igr2=1654,1655,
 &end
#
#  112 LYS  HN          112 LYS  HB+         3.50    (#   1727:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1686,1687,
 &end
#
#  106 THR  MG2         120 TRP  HB+         4.50    (#   1728:20  Unique         2.43, 3.82 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1586,1587,1588,
 igr2=1821,1822,
 &end
#
#    0 AMB  20-2:1729   112 LYS  HB-         2.80    (#   1729:20  Single Ambig)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1686,1687,
 &end
#
#   64 MET  HB2          71 CYS  HB2         4.50    (#   1731:20  Unique         4.06, 4.17 A)
 &rst
  ixpk= 1731, nxpk= 20, iat= 967,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1732   112 LYS  HB-         4.50    (#   1732:20  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 166,1641,1642,
 igr2=1686,1687,
 &end
#
#    0 AMB  20-2:1733     0 AMB  20-1:1733   2.80    (#   1733:20  Double Ambig)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1686,1687,1686,1687,
 &end
#
#   61 SER  HB-          71 CYS  HB2         5.50    (#   1734:20  Unique         2.47, 3.52 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   90 VAL  HB          120 TRP  HB-         5.50    (#   1735:20  Unique         2.61, 3.15 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#  112 LYS  HD+         112 LYS  HB-         4.50    (#   1736:20  Unique         2.46, 3.31 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1692,1693,
 igr2=1686,1687,
 &end
#
#   90 VAL  MGX         120 TRP  HB+         5.50    (#   1738:20  Unique         4.00, 5.32 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1821,1822,
 &end
#
#    0 AMB  20-2:1740     0 AMB  20-1:1740   5.50    (#   1740:20  Double Ambig)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1584,1525,
 igr2=1821,1822,1821,1822,
 &end
#
#    0 AMB  20-2:1741    71 CYS  HB3         4.50    (#   1741:20  Single Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 967,1084,1085,
 &end
#
#  120 TRP  HD1           0 AMB  20-1:1742   4.50    (#   1742:20  Single Ambig)
 &rst
  ixpk= 1742, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1821,1822,1821,1822,
 &end
#
#  102 HIS  HB2         120 TRP  HB-         4.50    (#   1744:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1821,1822,
 &end
#
#    0 AMB  20-2:1745   112 LYS  HB-         5.50    (#   1745:20  Single Ambig)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 166,1641,1642,
 igr2=1686,1687,
 &end
#
#    0 AMB  20-2:1746     0 AMB  20-1:1746   5.50    (#   1746:20  Double Ambig)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1584,1525,
 igr2=1821,1822,1821,1822,1821,1822,
 &end
#
#  106 THR  MG2         120 TRP  HB-         4.50    (#   1747:20  Unique         2.43, 3.82 A)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1586,1587,1588,
 igr2=1821,1822,
 &end
#
#  120 TRP  HA          120 TRP  HB-         3.50    (#   1748:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#  121 ALA  HN          120 TRP  HB-         5.50    (#   1749:20  Unique         2.23, 3.07 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#  120 TRP  HA          120 TRP  HB+         3.50    (#   1750:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 1750, nxpk= 20, iat=1819,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#   90 VAL  HN          120 TRP  HB+         5.50    (#   1751:20  Unique         3.56, 3.86 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1821,1822,
 &end
#
#   95 MET  HB-          95 MET  HG+         4.50    (#   1753:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1431,1432,
 igr2=1434,1435,
 &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= 8.02, r4= 8.52,
 igr1=1834,1344,1594,1832,
 igr2=1821,1822,1821,1822,1821,1822,1821,1822,
 &end
#
#   90 VAL  HB            0 AMB  20-1:1758   4.50    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1821,1822,1821,1822,
 &end
#
#   90 VAL  MGX         120 TRP  HB+         5.50    (#   1759:20  Unique         4.00, 5.32 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1821,1822,
 &end
#
#  102 HIS  HB3         120 TRP  HB-         3.50    (#   1760:20  Unique         2.40, 2.82 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#   90 VAL  MGY         120 TRP  HB+         5.50    (#   1761:20  Unique         4.00, 5.32 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1821,1822,
 &end
#
#  121 ALA  HN          120 TRP  HB+         4.50    (#   1762:20  Unique         2.23, 3.07 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1821,1822,
 &end
#
#   90 VAL  HB          120 TRP  HB+         4.50    (#   1765:20  Unique         2.61, 3.15 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1821,1822,
 &end
#
#   60 VAL  MGY          59 LYS  HB+         5.50    (#   1768:20  Unique         2.86, 6.09 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 899, 900,
 &end
#
#  106 THR  MG2           0 AMB  20-1:1770   4.50    (#   1770:20  Single Ambig)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1586,1587,1588,
 igr2=1821,1822,1821,1822,
 &end
#
#    3 VAL  HA            3 VAL  HB          3.50    (#   1772:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=  33,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 HIS  HB2         120 TRP  HB+         3.50    (#   1773:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=1527,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1821,1822,
 &end
#
#   49 TRP  HZ2          59 LYS  HB+         5.50    (#   1775:20  Unique         5.74, 6.14 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 899, 900,
 &end
#
#   59 LYS  HD+          59 LYS  HB+         3.50    (#   1776:20  Unique         2.35, 2.84 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 905, 906,
 igr2= 899, 900,
 &end
#
#   95 MET  HB-          95 MET  HG-         4.50    (#   1778:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#   95 MET  HB+          95 MET  HG-         3.50    (#   1781:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#    0 AMB  20-2:1783     3 VAL  HB          2.80    (#   1783:20  Single Ambig)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#   95 MET  HA           95 MET  HG+         4.50    (#   1784:20  Unique         3.06, 3.55 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1434,1435,
 &end
#
#    3 VAL  HN            3 VAL  HB          3.50    (#   1787:20  Unique         2.46, 2.63 A)
 &rst
  ixpk= 1787, nxpk= 20, iat=  31,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ASP  HB+          28 HIS  HB2         4.50    (#   1788:20  Unique         2.52, 3.44 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1058,1059,
 &end
#
#    0 AMB  20-2:1789    90 VAL  HB          3.50    (#   1789:20  Single Ambig)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1821,1822,1821,1822,
 &end
#
#   29 SER  HN           28 HIS  HB3         5.50    (#   1790:20  Unique         2.61, 2.68 A)
 &rst
  ixpk= 1790, nxpk= 20, iat= 441, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 MET  HA           95 MET  HG-         5.50    (#   1791:20  Unique         3.06, 3.55 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1434,1435,
 &end
#
#    0 AMB  20-2:1792    90 VAL  HB          4.50    (#   1792:20  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1821,1822,1821,1822,
 &end
#
#   28 HIS  HN           28 HIS  HB3         4.50    (#   1793:20  Unique         3.58, 3.64 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 HIS  HN           28 HIS  HB2         4.50    (#   1794:20  Unique         2.35, 2.47 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HA           59 LYS  HB+         4.50    (#   1795:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   95 MET  HB+          95 MET  HG+         3.50    (#   1796:20  Unique         2.41, 2.60 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1431,1432,
 igr2=1434,1435,
 &end
#
#    4 ALA  HN            3 VAL  HB          4.50    (#   1799:20  Unique         3.81, 4.16 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  47,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 VAL  MGY          90 VAL  HB          3.50    (#   1802:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   59 LYS  HA           59 LYS  HB+         2.80    (#   1803:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 1803, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   59 LYS  HN           59 LYS  HB+         2.80    (#   1805:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#    1 MET  HA            1 MET  HB+         4.50    (#   1807:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#   28 HIS  HA           28 HIS  HB2         3.50    (#   1808:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 1808, nxpk= 20, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 VAL  MGX          90 VAL  HB          3.50    (#   1809:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   70 ASP  HB-          28 HIS  HB3         5.50    (#   1810:20  Unique         3.89, 4.92 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#   59 LYS  HG+          59 LYS  HB+         2.80    (#   1811:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#    0 AMB  20-2:1812    28 HIS  HB3         5.50    (#   1812:20  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 452,1054,
 &end
#
#    1 MET  HA            1 MET  HB-         4.50    (#   1813:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#   60 VAL  HN           59 LYS  HB+         3.50    (#   1814:20  Unique         2.53, 3.25 A)
 &rst
  ixpk= 1814, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   64 MET  HB2          64 MET  HG+         3.50    (#   1815:20  Unique         2.38, 2.46 A)
 &rst
  ixpk= 1815, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#    0 AMB  20-2:1816     0 AMB  20-1:1816   5.50    (#   1816:20  Double Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1047,1026,1027,
 igr2= 970, 971, 970, 971,
 &end
#
#    0 AMB  20-2:1817    28 HIS  HB2         5.50    (#   1817:20  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#   60 VAL  MGY          59 LYS  HB+         5.50    (#   1818:20  Unique         2.86, 6.09 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 899, 900,
 &end
#
#   64 MET  HN           64 MET  HG-         4.50    (#   1820:20  Unique         2.17, 2.92 A)
 &rst
  ixpk= 1820, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#   28 HIS  HA           28 HIS  HB3         3.50    (#   1821:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 1821, nxpk= 20, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 HIS  HA           90 VAL  HB          5.50    (#   1822:20  Unique         4.61, 4.76 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=1336,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 VAL  HN           90 VAL  HB          3.50    (#   1823:20  Unique         2.73, 2.78 A)
 &rst
  ixpk= 1823, nxpk= 20, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1824     0 AMB  20-1:1824   3.50    (#   1824:20  Double Ambig)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 378, 379, 380, 923, 924, 925, 927, 928, 929, 414,
       415, 416, 418, 419, 420,
 igr2= 970, 971, 970, 971, 970, 971,
 &end
#
#   70 ASP  HB-          28 HIS  HB2         5.50    (#   1825:20  Unique         2.52, 3.44 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058,1059,
 &end
#
#    0 AMB  20-2:1826     0 AMB  20-1:1826   4.50    (#   1826:20  Double Ambig)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 968, 375, 376,
 igr2= 970, 971, 970, 971,
 &end
#
#   64 MET  HN           64 MET  HG+         3.50    (#   1827:20  Unique         2.17, 2.92 A)
 &rst
  ixpk= 1827, nxpk= 20, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#    0 AMB  20-2:1828    64 MET  HG-         3.50    (#   1828:20  Single Ambig)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 968, 375, 376,
 igr2= 970, 971,
 &end
#
#  120 TRP  HA           90 VAL  HB          5.50    (#   1829:20  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=1819,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1831    64 MET  HG-         3.50    (#   1831:20  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 378, 379, 380, 923, 924, 925, 927, 928, 929, 414,
       415, 416, 418, 419, 420,
 igr2= 970, 971,
 &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= 9.99, r4=10.49,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 899, 900, 899, 900,
 &end
#
#   64 MET  HB2          64 MET  HG-         3.50    (#   1834:20  Unique         2.38, 2.46 A)
 &rst
  ixpk= 1834, nxpk= 20, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 970, 971,
 &end
#
#    0 AMB  20-2:1836     0 AMB  20-1:1836   5.50    (#   1836:20  Double Ambig)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 130, 131, 132, 371, 372, 373, 631, 632, 633,
 igr2= 970, 971, 970, 971, 970, 971,
 &end
#
#    0 AMB  20-2:1837     0 AMB  20-1:1837   5.50    (#   1837:20  Double Ambig)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 igr2= 899, 900, 899, 900,
 &end
#
#   64 MET  ME           64 MET  HG+         4.50    (#   1839:20  Unique         2.41, 3.51 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2= 970, 971,
 &end
#
#   64 MET  HA           64 MET  HG+         4.50    (#   1840:20  Unique         3.09, 3.51 A)
 &rst
  ixpk= 1840, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 970, 971,
 &end
#
#   64 MET  HA           64 MET  HG-         5.50    (#   1841:20  Unique         3.09, 3.51 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 970, 971,
 &end
#
#   78 ARG  HG+          78 ARG  HB-         5.50    (#   1850:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#    0 AMB  20-2:1853     0 AMB  20-1:1853   3.50    (#   1853:20  Double Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1218,1219,1218,1219,
 igr2=1249,1250,1249,1250,
 &end
#
#    0 AMB  20-2:1857    21 LYS  HB3         5.50    (#   1857:20  Single Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 856, 857, 858,1147,1148,
 &end
#
#  104 ILE  HN          101 GLN  HG+         5.50    (#   1858:20  Unique         5.30, 5.71 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#   21 LYS  HN           21 LYS  HB2         5.50    (#   1860:20  Unique         2.45, 2.59 A)
 &rst
  ixpk= 1860, nxpk= 20, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1861    21 LYS  HB3         4.50    (#   1861:20  Single Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1147,1148, 853, 854,
 &end
#
#   19 VAL  HN           19 VAL  HB          3.50    (#   1863:20  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1863, nxpk= 20, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1864    21 LYS  HB3         5.50    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 856, 857, 858,1147,1148,
 &end
#
#   20 PHE  HN           19 VAL  HB          5.50    (#   1865:20  Unique         4.14, 4.28 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 267, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 VAL  HA           19 VAL  HB          4.50    (#   1867:20  Unique         3.04, 3.06 A)
 &rst
  ixpk= 1867, nxpk= 20, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 VAL  MG2          19 VAL  HB          2.80    (#   1869:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 261, 262, 263,
 &end
#
#    0 AMB  20-2:1871    21 LYS  HB3         4.50    (#   1871:20  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1147,1148,1177,1178,
 &end
#
#    0 AMB  20-2:1872     0 AMB  20-1:1872   2.80    (#   1872:20  Double Ambig)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 257, 258, 259,1112,1113,1114,1116,1117,1118,
 igr2= 255,1081,1082,
 &end
#
#  101 GLN  HE2-        101 GLN  HG-         5.50    (#   1873:20  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#   21 LYS  HN           21 LYS  HB2         5.50    (#   1879:20  Unique         2.45, 2.59 A)
 &rst
  ixpk= 1879, nxpk= 20, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 ILE  HN          101 GLN  HG-         5.50    (#   1880:20  Unique         5.30, 5.71 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#  101 GLN  HE2+        101 GLN  HG+         5.50    (#   1882:20  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#  104 ILE  HN          101 GLN  HG+         5.50    (#   1883:20  Unique         5.30, 5.71 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1513,1514,
 &end
#
#  101 GLN  HB-         101 GLN  HG-         3.50    (#   1885:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#  101 GLN  HB+         101 GLN  HG-         2.80    (#   1886:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#    0 AMB  20-2:1888   101 GLN  HG-         5.50    (#   1888:20  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1560,1561, 350, 351,
 igr2=1513,1514,
 &end
#
#  104 ILE  HG1-        101 GLN  HG-         4.50    (#   1889:20  Unique         3.79, 5.03 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1513,1514,
 &end
#
#  101 GLN  HA          101 GLN  HG+         3.50    (#   1890:20  Unique         2.50, 3.17 A)
 &rst
  ixpk= 1890, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#  101 GLN  HN          101 GLN  HG-         4.50    (#   1891:20  Unique         2.65, 3.37 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1513,1514,
 &end
#
#    0 AMB  20-2:1893   101 GLN  HG-         3.50    (#   1893:20  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,1112,
      1113,1114,1116,1117,1118,1500,1501,1502,
 igr2=1513,1514,
 &end
#
#  103 ALA  MB          101 GLN  HG+         5.50    (#   1894:20  Unique         5.07, 6.57 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1513,1514,
 &end
#
#  104 ILE  HG1-        101 GLN  HG+         4.50    (#   1895:20  Unique         3.79, 5.03 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,
 igr2=1513,1514,
 &end
#
#  101 GLN  HA          101 GLN  HG-         3.50    (#   1896:20  Unique         2.50, 3.17 A)
 &rst
  ixpk= 1896, nxpk= 20, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#  101 GLN  HB+         101 GLN  HG+         2.80    (#   1898:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#  101 GLN  HB-         101 GLN  HG+         2.80    (#   1900:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1510,1511,
 igr2=1513,1514,
 &end
#
#  103 ALA  MB          101 GLN  HG-         4.50    (#   1902:20  Unique         5.07, 6.57 A)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1544,1545,1546,
 igr2=1513,1514,
 &end
#
#  101 GLN  HN          101 GLN  HG+         3.50    (#   1903:20  Unique         2.65, 3.37 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1513,1514,
 &end
#
#  103 ALA  MB          101 GLN  HG+         5.50    (#   1904:20  Unique         5.07, 6.57 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1513,1514,
 &end
#
#    0 AMB  20-2:1905     0 AMB  20-1:1905   4.50    (#   1905:20  Double Ambig)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,1112,
      1113,1114,1116,1117,1118,1500,1501,1502,
 igr2=1513,1514,1513,1514,1513,1514,1513,1514,
 &end
#
#    0 AMB  20-2:1906     0 AMB  20-1:1906   3.50    (#   1906:20  Double Ambig)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1216,1199,
 igr2=1221,1222,1221,1222,
 &end
#
#    0 AMB  20-2:1907     0 AMB  20-1:1907   5.50    (#   1907:20  Double Ambig)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1560,1561, 350, 351,
 igr2=1513,1514,1513,1514,
 &end
#
#   26 ARG  HB3          72 GLU  HB+         5.50    (#   1908:20  Unique         2.63, 3.67 A)
 &rst
  ixpk= 1908, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#   74 LEU  MDY          72 GLU  HB+         4.50    (#   1909:20  Unique         3.37, 6.42 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1081,1082,
 &end
#
#    0 AMB  20-2:1912     0 AMB  20-1:1912   2.80    (#   1912:20  Double Ambig)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1218,1219,1218,1219,1023,
 igr2=1221,1222,1221,1222,1026,1027,
 &end
#
#    0 AMB  20-2:1914    72 GLU  HB-         2.80    (#   1914:20  Single Ambig)
 &rst
  ixpk= 1914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1084,1085,1084,1085,
 igr2=1081,1082,
 &end
#
#   72 GLU  HA           72 GLU  HB-         3.50    (#   1915:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1081,1082,
 &end
#
#   72 GLU  HN           72 GLU  HB-         4.50    (#   1916:20  Unique         2.73, 3.13 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1081,1082,
 &end
#
#   26 ARG  HN           72 GLU  HB-         5.50    (#   1918:20  Unique         3.73, 4.61 A)
 &rst
  ixpk= 1918, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#    0 AMB  20-2:1920     0 AMB  20-1:1920   2.80    (#   1920:20  Double Ambig)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1084,1085,1084,1085,
 igr2=1081,1082,1081,1082,
 &end
#
#   82 GLN  HN           82 GLN  HG+         5.50    (#   1921:20  Unique         2.48, 3.63 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1221,1222,
 &end
#
#   72 GLU  HN           72 GLU  HB+         4.50    (#   1922:20  Unique         2.73, 3.13 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1081,1082,
 &end
#
#   72 GLU  HA           72 GLU  HB+         3.50    (#   1924:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1081,1082,
 &end
#
#   41 LYS  HN           27 VAL  HB          5.50    (#   1925:20  Unique         3.40, 3.52 A)
 &rst
  ixpk= 1925, nxpk= 20, iat= 588, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 GLN  HE2+         82 GLN  HG+         5.50    (#   1926:20  Unique         2.24, 3.33 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2=1221,1222,
 &end
#
#   67 GLN  HE2-         67 GLN  HG+         3.50    (#   1927:20  Unique         2.26, 3.21 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#    0 AMB  20-2:1928     0 AMB  20-1:1928   5.50    (#   1928:20  Double Ambig)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 130, 131, 132, 123, 124, 125,
 igr2=1026,1027,1026,1027,
 &end
#
#   66 LYS  HN           67 GLN  HG+         5.50    (#   1929:20  Unique         4.53, 5.25 A)
 &rst
  ixpk= 1929, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#   67 GLN  HA           67 GLN  HG+         2.80    (#   1930:20  Unique         2.41, 2.84 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#   67 GLN  HN           67 GLN  HG+         2.80    (#   1931:20  Unique         2.17, 2.80 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#    4 ALA  MB           67 GLN  HG+         5.50    (#   1932:20  Unique         4.06, 6.01 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,
 igr2=1026,1027,
 &end
#
#   68 GLY  HA+          67 GLN  HG+         5.50    (#   1933:20  Unique         6.51, 6.86 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1038,1039,
 igr2=1026,1027,
 &end
#
#   82 GLN  HE2-         82 GLN  HG+         4.50    (#   1935:20  Unique         2.24, 3.33 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1226,1227,
 igr2=1221,1222,
 &end
#
#   64 MET  HA           67 GLN  HG+         3.50    (#   1936:20  Unique         3.04, 3.95 A)
 &rst
  ixpk= 1936, nxpk= 20, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#    0 AMB  20-2:1937     0 AMB  20-1:1937   5.50    (#   1937:20  Double Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 391, 392, 378, 379, 380,
 igr2=1081,1082,1081,1082,
 &end
#
#   63 ASP  HA           67 GLN  HG+         5.50    (#   1939:20  Unique         4.38, 5.11 A)
 &rst
  ixpk= 1939, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#   67 GLN  HE2+         67 GLN  HG+         4.50    (#   1940:20  Unique         2.26, 3.21 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#   68 GLY  HN           67 GLN  HG+         4.50    (#   1941:20  Unique         4.08, 4.76 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#   26 ARG  HN           72 GLU  HB+         5.50    (#   1947:20  Unique         3.73, 4.61 A)
 &rst
  ixpk= 1947, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1081,1082,
 &end
#
#   28 HIS  HN           27 VAL  HB          4.50    (#   1949:20  Unique         3.91, 4.15 A)
 &rst
  ixpk= 1949, nxpk= 20, iat= 424, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LYS  HG+          27 VAL  HB          5.50    (#   1950:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#    6 LEU  MDY          27 VAL  HB          4.50    (#   1951:20  Unique         2.88, 4.76 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:1952    27 VAL  HB          4.50    (#   1952:20  Single Ambig)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 631, 632, 633, 123, 124, 125,
 &end
#
#   27 VAL  HN           27 VAL  HB          3.50    (#   1953:20  Unique         2.68, 2.72 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLN  HB3          65 GLN  HG-         2.80    (#   1955:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 987, 988,
 &end
#
#    0 AMB  20-2:1956    27 VAL  HB          5.50    (#   1956:20  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 426,
 &end
#
#   27 VAL  HA           27 VAL  HB          3.50    (#   1958:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLN  HE2+         65 GLN  HG+         5.50    (#   1960:20  Unique         2.43, 3.46 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#   65 GLN  HN           65 GLN  HG-         3.50    (#   1962:20  Unique         2.49, 3.16 A)
 &rst
  ixpk= 1962, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#   65 GLN  HN           65 GLN  HG+         3.50    (#   1964:20  Unique         2.49, 3.16 A)
 &rst
  ixpk= 1964, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#   65 GLN  HA           65 GLN  HG+         3.50    (#   1966:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 1966, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#   65 GLN  HB3          65 GLN  HG+         2.80    (#   1967:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1967, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 987, 988,
 &end
#
#   65 GLN  HA           65 GLN  HG-         3.50    (#   1971:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 987, 988,
 &end
#
#   41 LYS  HD+          27 VAL  HB          5.50    (#   1972:20  Unique         2.43, 3.18 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 598, 599,
 &end
#
#   65 GLN  HE2+         65 GLN  HG-         5.50    (#   1973:20  Unique         2.43, 3.46 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#   80 SER  HB-          89 HIS  HB+         5.50    (#   1977:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#   89 HIS  HA           89 HIS  HB+         4.50    (#   1979:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1338,1339,
 &end
#
#   89 HIS  HA           89 HIS  HB-         3.50    (#   1981:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1338,1339,
 &end
#
#    0 AMB  20-2:1983    45 ARG  HB2         3.50    (#   1983:20  Single Ambig)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 849, 850, 851,
 &end
#
#   45 ARG  HD-          45 ARG  HB3         5.50    (#   1985:20  Unique         2.39, 2.91 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#   80 SER  HB+          89 HIS  HB+         5.50    (#   1987:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#   80 SER  HB+          89 HIS  HB+         4.50    (#   1990:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#   45 ARG  HG+          45 ARG  HB2         4.50    (#   1991:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#   80 SER  HB+          89 HIS  HB-         5.50    (#   1992:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#   60 VAL  MGY          45 ARG  HB3         5.50    (#   1993:20  Unique         2.94, 4.57 A)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   45 ARG  HA           45 ARG  HB2         5.50    (#   1994:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 SER  HB+          89 HIS  HB-         5.50    (#   1995:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1190,1191,
 igr2=1338,1339,
 &end
#
#    0 AMB  20-2:1996    45 ARG  HB3         3.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929, 336,
       337, 338, 340, 341, 342, 336, 337, 338, 340, 341,
       342,
 &end
#
#   47 TYR  HE           45 ARG  HB3         5.50    (#   1997:20  Unique         2.24, 4.04 A)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 701, 706,
 &end
#
#   60 VAL  MGY          45 ARG  HB2         5.50    (#   2000:20  Unique         2.57, 4.40 A)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   89 HIS  HA           89 HIS  HB+         4.50    (#   2001:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2001, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1338,1339,
 &end
#
#   45 ARG  HN           45 ARG  HB2         4.50    (#   2002:20  Unique         2.68, 2.76 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 660, 664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HA           45 ARG  HB3         5.50    (#   2003:20  Unique         2.49, 2.52 A)
 &rst
  ixpk= 2003, nxpk= 20, iat= 662, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 ARG  HG+          45 ARG  HB3         4.50    (#   2004:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#   12 VAL  HA           44 VAL  HB          3.50    (#   2005:20  Unique         2.52, 2.72 A)
 &rst
  ixpk= 2005, nxpk= 20, iat= 164, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ASP  HN           44 VAL  HB          5.50    (#   2006:20  Unique         3.68, 4.01 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 178, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ILE  HA           44 VAL  HB          4.50    (#   2007:20  Unique         4.01, 4.16 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 627, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 VAL  MGY          44 VAL  HB          2.80    (#   2008:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  20-2:2009    44 VAL  HB          2.80    (#   2009:20  Single Ambig)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 &end
#
#   44 VAL  HA           44 VAL  HB          5.50    (#   2010:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2010, nxpk= 20, iat= 646, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN           44 VAL  HB          3.50    (#   2011:20  Unique         2.35, 2.39 A)
 &rst
  ixpk= 2011, nxpk= 20, iat= 644, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  MGY          44 VAL  HB          4.50    (#   2012:20  Unique         2.23, 3.57 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#   56 ILE  HG1-         23 VAL  HB          4.50    (#   2013:20  Unique         2.33, 3.16 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 853, 854,
 &end
#
#   56 ILE  HG1+         23 VAL  HB          5.50    (#   2014:20  Unique         2.33, 3.16 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#   23 VAL  HA           23 VAL  HB          3.50    (#   2016:20  Unique         2.53, 2.55 A)
 &rst
  ixpk= 2016, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LEU  HN           23 VAL  HB          4.50    (#   2017:20  Unique         4.04, 4.06 A)
 &rst
  ixpk= 2017, nxpk= 20, iat= 346, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2018    23 VAL  HB          2.80    (#   2018:20  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#   41 LYS  HG+          41 LYS  HB+         4.50    (#   2019:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 592, 593,
 &end
#
#   41 LYS  HG+          41 LYS  HB-         4.50    (#   2020:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 592, 593,
 &end
#
#   41 LYS  HA           41 LYS  HB-         3.50    (#   2021:20  Unique         2.31, 2.46 A)
 &rst
  ixpk= 2021, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#    0 AMB  20-2:2023     0 AMB  20-1:2023   3.50    (#   2023:20  Double Ambig)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 598, 599, 614, 615,
 igr2= 592, 593, 592, 593,
 &end
#
#   42 GLU  HN           41 LYS  HB-         3.50    (#   2024:20  Unique         2.36, 3.10 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#   41 LYS  HA           41 LYS  HB+         3.50    (#   2025:20  Unique         2.31, 2.46 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#   42 GLU  HN           41 LYS  HB+         3.50    (#   2026:20  Unique         2.36, 3.10 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#   41 LYS  HD-          41 LYS  HB-         3.50    (#   2027:20  Unique         2.81, 3.60 A)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,
 igr2= 592, 593,
 &end
#
#  112 LYS  HD+          12 VAL  HB          4.50    (#   2028:20  Unique         2.94, 4.59 A)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
#   41 LYS  HD-          41 LYS  HB+         4.50    (#   2029:20  Unique         2.81, 3.60 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 592, 593,
 &end
#
#    0 AMB  20-2:2030     0 AMB  20-1:2030   3.50    (#   2030:20  Double Ambig)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1686,1687, 598, 599,1692,1693,
 igr2= 166, 592, 593,
 &end
#
#    0 AMB  20-2:2031     0 AMB  20-1:2031   2.80    (#   2031:20  Double Ambig)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,  78,  79,
        80,  82,  83,  84,
 igr2= 166, 592, 593,
 &end
#
#   12 VAL  HA           12 VAL  HB          4.50    (#   2032:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HN           12 VAL  HB          3.50    (#   2035:20  Unique         2.51, 2.71 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  HA           12 VAL  HB          4.50    (#   2036:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 2036, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 ILE  HA          107 GLU  HG-         5.50    (#   2037:20  Unique         3.81, 4.62 A)
 &rst
  ixpk= 2037, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1601,1602,
 &end
#
#  107 GLU  HN          107 GLU  HG-         3.50    (#   2038:20  Unique         2.42, 3.05 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#  107 GLU  HA          107 GLU  HG+         3.50    (#   2039:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 2039, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#  104 ILE  HA          107 GLU  HG+         5.50    (#   2040:20  Unique         3.81, 4.62 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1601,1602,
 &end
#
#  107 GLU  HB+         107 GLU  HG+         2.80    (#   2044:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1598,1599,
 igr2=1601,1602,
 &end
#
#  107 GLU  HA          107 GLU  HG-         3.50    (#   2045:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#  107 GLU  HN          107 GLU  HG+         3.50    (#   2046:20  Unique         2.42, 3.05 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#    0 AMB  20-2:2047   107 GLU  HG-         4.50    (#   2047:20  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1660,1661,1616,1617,1657,1658,
 igr2=1601,1602,
 &end
#
#    0 AMB  20-2:2049     0 AMB  20-1:2049   5.50    (#   2049:20  Double Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1654,1655,1554,
 igr2=1601,1602,1601,1602,
 &end
#
#   51 GLU  HA           51 GLU  HG-         3.50    (#   2050:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2050, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 775, 776,
 &end
#
#    0 AMB  20-2:2051    51 GLU  HG-         5.50    (#   2051:20  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 736, 760,
 igr2= 775, 776,
 &end
#
#   52 TYR  HD           51 GLU  HG-         5.50    (#   2052:20  Unique         3.97, 6.66 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 791, 800,
 igr2= 775, 776,
 &end
#
#   52 TYR  HN           51 GLU  HG-         5.50    (#   2053:20  Unique         4.62, 4.96 A)
 &rst
  ixpk= 2053, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 775, 776,
 &end
#
#   51 GLU  HN           51 GLU  HG-         4.50    (#   2054:20  Unique         2.20, 3.09 A)
 &rst
  ixpk= 2054, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 775, 776,
 &end
#
#   51 GLU  HA           51 GLU  HG+         3.50    (#   2057:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 775, 776,
 &end
#
#   51 GLU  HN           51 GLU  HG+         4.50    (#   2059:20  Unique         2.20, 3.09 A)
 &rst
  ixpk= 2059, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 775, 776,
 &end
#
#   52 TYR  HD           51 GLU  HG+         4.50    (#   2060:20  Unique         3.97, 6.66 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 800,
 igr2= 775, 776,
 &end
#
#   52 TYR  HE           51 GLU  HG+         4.50    (#   2061:20  Unique         4.68, 6.81 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 793, 798,
 igr2= 775, 776,
 &end
#
#  119 THR  MG2         117 GLU  HG-         3.50    (#   2066:20  Unique         2.99, 5.21 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1809,1810,1811,
 igr2=1779,1780,
 &end
#
#  119 THR  MG2         117 GLU  HG+         3.50    (#   2067:20  Unique         2.99, 5.21 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1809,1810,1811,
 igr2=1779,1780,
 &end
#
#  118 VAL  HN          117 GLU  HG-         4.50    (#   2069:20  Unique         2.01, 2.31 A)
 &rst
  ixpk= 2069, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1779,1780,
 &end
#
#    6 LEU  MDX           0 AMB  20-1:2070   4.50    (#   2070:20  Single Ambig)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 569, 570, 569, 570,
 &end
#
#  117 GLU  HA          117 GLU  HG-         3.50    (#   2071:20  Unique         2.40, 2.89 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1779,1780,
 &end
#
#  117 GLU  HA          117 GLU  HG+         3.50    (#   2072:20  Unique         2.40, 2.89 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1779,1780,
 &end
#
#  118 VAL  HN          117 GLU  HG+         4.50    (#   2073:20  Unique         2.01, 2.31 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1779,1780,
 &end
#
#    0 AMB  20-2:2074     0 AMB  20-1:2074   2.80    (#   2074:20  Double Ambig)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1776,1777, 566, 567,
 igr2=1779,1780, 569, 570,
 &end
#
#    0 AMB  20-2:2075     0 AMB  20-1:2075   4.50    (#   2075:20  Double Ambig)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=  78,  79,  80,  82,  83,  84,1637,1638,1639,
 igr2= 569, 570,1779,1780,
 &end
#
#   39 GLU  HB-          39 GLU  HG+         2.80    (#   2076:20  Unique         2.42, 2.73 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#   37 ALA  MB            0 AMB  20-1:2078   5.50    (#   2078:20  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 546, 547, 548,
 igr2= 569, 570, 569, 570,
 &end
#
#    0 AMB  20-2:2079     0 AMB  20-1:2079   2.80    (#   2079:20  Double Ambig)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1081,1082,1081,1082,1776,1777,
 igr2=1084,1085,1084,1085,1779,1780,
 &end
#
#  110 LYS  HB-         117 GLU  HG+         4.50    (#   2081:20  Unique         4.67, 6.03 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1654,1655,
 igr2=1779,1780,
 &end
#
#   39 GLU  HA            0 AMB  20-1:2082   3.50    (#   2082:20  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 569, 570, 569, 570,
 &end
#
#   39 GLU  HA           39 GLU  HG+         3.50    (#   2083:20  Unique         2.48, 2.97 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#   39 GLU  HB-          39 GLU  HG-         2.80    (#   2085:20  Unique         2.42, 2.73 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#   38 ALA  HN           39 GLU  HG+         4.50    (#   2086:20  Unique         2.30, 3.47 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 569, 570,
 &end
#
#   74 LEU  MDY           0 AMB  20-1:2087   4.50    (#   2087:20  Single Ambig)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1084,1085,1084,1085,
 &end
#
#   72 GLU  HA           72 GLU  HG-         3.50    (#   2088:20  Unique         2.49, 2.94 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1084,1085,
 &end
#
#    0 AMB  20-2:2089     0 AMB  20-1:2089   2.80    (#   2089:20  Double Ambig)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1081,1082, 566, 567,
 igr2=1084,1085, 569, 570,
 &end
#
#   72 GLU  HN           72 GLU  HG+         5.50    (#   2091:20  Unique         4.31, 4.53 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1084,1085,
 &end
#
#   72 GLU  HN            0 AMB  20-1:2092   5.50    (#   2092:20  Single Ambig)
 &rst
  ixpk= 2092, nxpk= 20, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1084,1085,1084,1085,
 &end
#
#   72 GLU  HA           72 GLU  HG+         3.50    (#   2093:20  Unique         2.49, 2.94 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1084,1085,
 &end
#
#   74 LEU  MDY          72 GLU  HG+         4.50    (#   2094:20  Unique         2.60, 6.10 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1112,1113,1114,1116,1117,1118,
 igr2=1084,1085,
 &end
#
#  104 ILE  HN          104 ILE  HB          2.80    (#   2096:20  Unique         2.42, 2.50 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=1550,1554, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  105 SER  HN          104 ILE  HB          3.50    (#   2097:20  Unique         2.30, 2.42 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=1569,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 ILE  HA          104 ILE  HB          4.50    (#   2098:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=1552,1554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2099   104 ILE  HB          2.80    (#   2099:20  Single Ambig)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,1563,
      1564,1565,
 &end
#
#  104 ILE  HG1+        104 ILE  HB          3.50    (#   2100:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#  104 ILE  HG1-        104 ILE  HB          3.50    (#   2101:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#   87 LYS  HG-          87 LYS  HB+         3.50    (#   2102:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#    0 AMB  20-2:2103     0 AMB  20-1:2103   5.50    (#   2103:20  Double Ambig)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1218,1219,1218,1219,1776,1777,
 igr2=1297,1298,1297,1298,1297,1298,
 &end
#
#    0 AMB  20-2:2104    87 LYS  HB-         4.50    (#   2104:20  Single Ambig)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1218,1219,1218,1219,1776,1777,
 igr2=1297,1298,
 &end
#
#   87 LYS  HG-          87 LYS  HB-         3.50    (#   2105:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#   87 LYS  HA           87 LYS  HB+         3.50    (#   2106:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1297,1298,
 &end
#
#   87 LYS  HD-          87 LYS  HB+         3.50    (#   2108:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1303,1304,
 igr2=1297,1298,
 &end
#
#   87 LYS  HA           87 LYS  HB-         4.50    (#   2109:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1297,1298,
 &end
#
#    0 AMB  20-2:2113    87 LYS  HB-         4.50    (#   2113:20  Single Ambig)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1779,1780,1249,1250,
 igr2=1297,1298,
 &end
#
#   43 ILE  HN           42 GLU  HG+         5.50    (#   2117:20  Unique         3.75, 4.54 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#   24 LEU  MDY          42 GLU  HG-         3.50    (#   2118:20  Unique         2.40, 4.44 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 617, 618,
 &end
#
#   26 ARG  HA           42 GLU  HG+         5.50    (#   2119:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2119, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#   43 ILE  HN           42 GLU  HG-         5.50    (#   2121:20  Unique         3.75, 4.54 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 617, 618,
 &end
#
#   92 GLY  HN           91 TYR  HB+         4.50    (#   2125:20  Unique         1.97, 2.92 A)
 &rst
  ixpk= 2125, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#   91 TYR  HA           91 TYR  HB+         4.50    (#   2126:20  Unique         2.33, 2.44 A)
 &rst
  ixpk= 2126, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#   42 GLU  HN           42 GLU  HG+         4.50    (#   2127:20  Unique         3.94, 4.27 A)
 &rst
  ixpk= 2127, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#   26 ARG  HA           42 GLU  HG-         4.50    (#   2128:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2128, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#    0 AMB  20-2:2129    42 GLU  HG-         4.50    (#   2129:20  Single Ambig)
 &rst
  ixpk= 2129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 389,1108,
 igr2= 617, 618,
 &end
#
#    0 AMB  20-2:2130     0 AMB  20-1:2130   2.80    (#   2130:20  Double Ambig)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,1563,1564,1565,1556,1557,1558,
 igr2= 617, 618, 617, 618, 617, 618, 617, 618,
 &end
#
#   42 GLU  HA           42 GLU  HG+         4.50    (#   2131:20  Unique         2.44, 3.06 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 617, 618,
 &end
#
#   91 TYR  HA           91 TYR  HB+         4.50    (#   2132:20  Unique         2.33, 2.44 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#   42 GLU  HB-          42 GLU  HG-         2.80    (#   2134:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#   42 GLU  HA           42 GLU  HG-         3.50    (#   2135:20  Unique         2.44, 3.06 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 617, 618,
 &end
#
#   91 TYR  HD           91 TYR  HB+         3.50    (#   2136:20  Unique         2.31, 3.11 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1375,1384,
 igr2=1371,1372,
 &end
#
#   91 TYR  HA           91 TYR  HB-         3.50    (#   2138:20  Unique         2.33, 2.44 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1371,1372,
 &end
#
#   91 TYR  HD           91 TYR  HB-         4.50    (#   2139:20  Unique         2.31, 3.11 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1375,1384,
 igr2=1371,1372,
 &end
#
#  121 ALA  MB           91 TYR  HB-         5.50    (#   2140:20  Unique         2.39, 4.17 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1845,1846,1847,
 igr2=1371,1372,
 &end
#
#   92 GLY  HN           91 TYR  HB+         4.50    (#   2141:20  Unique         1.97, 2.92 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1371,1372,
 &end
#
#    0 AMB  20-2:2142    42 GLU  HG-         4.50    (#   2142:20  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353, 391, 392,
 igr2= 617, 618,
 &end
#
#   92 GLY  HN           91 TYR  HB-         3.50    (#   2144:20  Unique         1.97, 2.92 A)
 &rst
  ixpk= 2144, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1371,1372,
 &end
#
#    0 AMB  20-2:2145     0 AMB  20-1:2145   4.50    (#   2145:20  Double Ambig)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 353, 391, 392,
 igr2= 617, 618, 617, 618,
 &end
#
#  121 ALA  HN           91 TYR  HB-         5.50    (#   2146:20  Unique         2.80, 3.39 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1371,1372,
 &end
#
#    0 AMB  20-2:2147     0 AMB  20-1:2147   7.00    (#   2147:20  Double Ambig)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 384, 408,
 igr2= 617, 618, 617, 618,
 &end
#
#    0 AMB  20-2:2148    42 GLU  HG-         5.50    (#   2148:20  Single Ambig)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 384, 408,
 igr2= 617, 618,
 &end
#
#   42 GLU  HB-          42 GLU  HG+         2.80    (#   2149:20  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#  121 ALA  MB           91 TYR  HB+         4.50    (#   2150:20  Unique         2.39, 4.17 A)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1845,1846,1847,
 igr2=1371,1372,
 &end
#
#  109 ILE  HG1-        109 ILE  HB          4.50    (#   2154:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1641,1642,
 &end
#
#    0 AMB  20-2:2155    57 TYR  HB2         3.50    (#   2155:20  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#   58 ASP  HN           57 TYR  HB3         4.50    (#   2156:20  Unique         2.53, 2.61 A)
 &rst
  ixpk= 2156, nxpk= 20, iat= 883, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HN          109 ILE  HB          4.50    (#   2157:20  Unique         2.70, 2.85 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=1650,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 ILE  HG1-        109 ILE  HB          7.00    (#   2158:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1641,1642,
 &end
#
#    0 AMB  20-2:2159    57 TYR  HB3         3.50    (#   2159:20  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#  109 ILE  HG1+        109 ILE  HB          4.50    (#   2160:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1641,1642,
 &end
#
#   57 TYR  HD           57 TYR  HB2         3.50    (#   2162:20  Unique         2.74, 3.15 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#   58 ASP  HN           57 TYR  HB2         4.50    (#   2166:20  Unique         3.93, 3.99 A)
 &rst
  ixpk= 2166, nxpk= 20, iat= 883, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 TYR  HD           57 TYR  HB3         3.50    (#   2167:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#   57 TYR  HA           57 TYR  HB3         4.50    (#   2168:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2168, nxpk= 20, iat= 864, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 TYR  HA           57 TYR  HB2         3.50    (#   2170:20  Unique         2.41, 2.42 A)
 &rst
  ixpk= 2170, nxpk= 20, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 TYR  HN           57 TYR  HB3         3.50    (#   2171:20  Unique         2.42, 2.47 A)
 &rst
  ixpk= 2171, nxpk= 20, iat= 862, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2173   109 ILE  HB          3.50    (#   2173:20  Single Ambig)
 &rst
  ixpk= 2173, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1582,1633,
 &end
#
#    0 AMB  20-2:2174   109 ILE  HB          3.50    (#   2174:20  Single Ambig)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   57 TYR  HN           57 TYR  HB2         3.50    (#   2176:20  Unique         2.62, 2.65 A)
 &rst
  ixpk= 2176, nxpk= 20, iat= 862, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ILE  HG1+        109 ILE  HB          4.50    (#   2177:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1641,1642,
 &end
#
#  109 ILE  QD1         109 ILE  HB          3.50    (#   2178:20  Unique         2.46, 3.09 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1644,1645,1646,
 &end
#
#  109 ILE  HN          109 ILE  HB          3.50    (#   2180:20  Unique         2.28, 2.36 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ALA  MB           57 TYR  HB3         5.50    (#   2181:20  Unique         4.16, 4.75 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 825, 826, 827,
 &end
#
#  109 ILE  QG2         109 ILE  HB          3.50    (#   2182:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1637,1638,1639,
 &end
#
#  122 ASN  HD2-        122 ASN  HB+         4.50    (#   2184:20  Unique         2.25, 3.29 A)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#   54 ALA  HA           57 TYR  HB3         4.50    (#   2185:20  Unique         2.28, 2.38 A)
 &rst
  ixpk= 2185, nxpk= 20, iat= 823, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ALA  HA           57 TYR  HB2         4.50    (#   2186:20  Unique         3.40, 3.48 A)
 &rst
  ixpk= 2186, nxpk= 20, iat= 823, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 ASN  HA          122 ASN  HB-         3.50    (#   2187:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 2187, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#  122 ASN  HD2+        122 ASN  HB-         4.50    (#   2192:20  Unique         2.25, 3.29 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#  122 ASN  HD2-        122 ASN  HB-         3.50    (#   2193:20  Unique         2.25, 3.29 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1860,1861,
 igr2=1855,1856,
 &end
#
#  122 ASN  HN          122 ASN  HB+         4.50    (#   2196:20  Unique         2.40, 2.63 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=1851,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1855,1856,
 &end
#
#  122 ASN  HN          122 ASN  HB-         3.50    (#   2197:20  Unique         2.40, 2.63 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=1851,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#  122 ASN  HA          122 ASN  HB+         3.50    (#   2198:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=1853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1855,1856,
 &end
#
#  120 TRP  HB-         122 ASN  HB-         5.50    (#   2200:20  Unique         6.06, 7.41 A)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1821,1822,
 igr2=1855,1856,
 &end
#
#  123 ASP  HN          122 ASN  HB-         5.50    (#   2201:20  Unique         3.08, 4.15 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1855,1856,
 &end
#
#    0 AMB  20-2:2202    56 ILE  HB          3.50    (#   2202:20  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 853, 854, 667, 668,
 &end
#
#  123 ASP  HB+         122 ASN  HB+         5.50    (#   2203:20  Unique         4.06, 5.59 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1869,1870,
 igr2=1855,1856,
 &end
#
#   56 ILE  HN           56 ILE  HB          3.50    (#   2204:20  Unique         3.53, 3.54 A)
 &rst
  ixpk= 2204, nxpk= 20, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 TYR  HN           56 ILE  HB          3.50    (#   2205:20  Unique         3.32, 3.38 A)
 &rst
  ixpk= 2205, nxpk= 20, iat= 862, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2206    56 ILE  HB          2.80    (#   2206:20  Single Ambig)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 336, 337, 338, 340, 341, 342, 856, 857, 858,
 &end
#
#    0 AMB  20-2:2207    56 ILE  HB          2.80    (#   2207:20  Single Ambig)
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 849, 850, 851, 923, 924, 925, 927, 928,
       929,
 &end
#
#   56 ILE  HG1+         56 ILE  HB          4.50    (#   2208:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 853, 854,
 &end
#
#   56 ILE  HA           56 ILE  HB          4.50    (#   2210:20  Unique         2.69, 2.71 A)
 &rst
  ixpk= 2210, nxpk= 20, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LEU  HA            9 ILE  HB          4.50    (#   2215:20  Unique         2.83, 3.13 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  71, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LYS  HE-           9 ILE  HB          4.50    (#   2219:20  Unique         2.42, 3.75 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 601, 602,
 &end
#
#    0 AMB  20-2:2221     9 ILE  HB          2.80    (#   2221:20  Single Ambig)
 &rst
  ixpk= 2221, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 123, 124, 125, 130, 131, 132,
 &end
#
#    9 ILE  HA            9 ILE  HB          4.50    (#   2223:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 2223, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ILE  HN            9 ILE  HB          2.80    (#   2224:20  Unique         2.32, 2.41 A)
 &rst
  ixpk= 2224, nxpk= 20, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ILE  HG1+          9 ILE  HB          3.50    (#   2226:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#   54 ALA  HN           52 TYR  HB+         5.50    (#   2234:20  Unique         2.64, 3.59 A)
 &rst
  ixpk= 2234, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#   54 ALA  MB           52 TYR  HB+         4.50    (#   2240:20  Unique         3.32, 5.07 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 825, 826, 827,
 igr2= 787, 788,
 &end
#
#   52 TYR  HN           52 TYR  HB+         3.50    (#   2241:20  Unique         3.62, 3.70 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 787, 788,
 &end
#
#   54 ALA  HN           52 TYR  HB-         5.50    (#   2242:20  Unique         2.64, 3.59 A)
 &rst
  ixpk= 2242, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#   55 ASP  HN           52 TYR  HB+         4.50    (#   2243:20  Unique         3.60, 4.33 A)
 &rst
  ixpk= 2243, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#   52 TYR  HN           52 TYR  HB-         5.50    (#   2246:20  Unique         3.62, 3.70 A)
 &rst
  ixpk= 2246, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#   54 ALA  HN           52 TYR  HB+         5.50    (#   2249:20  Unique         2.64, 3.59 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#   52 TYR  HD           52 TYR  HB+         3.50    (#   2250:20  Unique         2.42, 3.07 A)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 791, 800,
 igr2= 787, 788,
 &end
#
#   54 ALA  MB           52 TYR  HB-         4.50    (#   2253:20  Unique         3.32, 5.07 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 825, 826, 827,
 igr2= 787, 788,
 &end
#
#   52 TYR  HD           52 TYR  HB-         3.50    (#   2255:20  Unique         2.42, 3.07 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 791, 800,
 igr2= 787, 788,
 &end
#
#   55 ASP  HN           52 TYR  HB-         4.50    (#   2256:20  Unique         3.60, 4.33 A)
 &rst
  ixpk= 2256, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#   52 TYR  HA           52 TYR  HB+         4.50    (#   2258:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 2258, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 787, 788,
 &end
#
#   54 ALA  HN           52 TYR  HB-         5.50    (#   2261:20  Unique         2.64, 3.59 A)
 &rst
  ixpk= 2261, nxpk= 20, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#   52 TYR  HA           52 TYR  HB-         3.50    (#   2264:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 787, 788,
 &end
#
#   67 GLN  HG+          63 ASP  HB2         5.50    (#   2265:20  Unique         5.59, 6.35 A)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1026,1027,
 &end
#
#   47 TYR  HD           20 PHE  HB-         7.00    (#   2268:20  Unique         6.34, 7.27 A)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 699, 708,
 igr2= 271, 272,
 &end
#
#    0 AMB  20-2:2269    93 TYR  HB-         5.50    (#   2269:20  Single Ambig)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1489,1490,1486,1487,
 igr2=1399,1400,
 &end
#
#   93 TYR  HD           93 TYR  HB-         5.50    (#   2275:20  Unique         2.37, 3.08 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1403,1412,
 igr2=1399,1400,
 &end
#
#    0 AMB  20-2:2276     0 AMB  20-1:2276   4.50    (#   2276:20  Double Ambig)
 &rst
  ixpk= 2276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 919, 946, 947, 845, 864,
 igr2= 955, 887, 888,
 &end
#
#   93 TYR  HA           93 TYR  HB+         5.50    (#   2282:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#   93 TYR  HA           93 TYR  HB-         5.50    (#   2283:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#   94 SER  HN           93 TYR  HB-         5.50    (#   2284:20  Unique         2.73, 3.49 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#   93 TYR  HD           93 TYR  HB+         4.50    (#   2285:20  Unique         2.37, 3.08 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1403,1412,
 igr2=1399,1400,
 &end
#
#   66 LYS  HE+          63 ASP  HB3         4.50    (#   2286:20  Unique         4.65, 5.38 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1010,1011,
 &end
#
#   64 MET  ME           63 ASP  HB3         5.50    (#   2287:20  Unique         3.07, 3.65 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#   64 MET  ME           63 ASP  HB3         5.50    (#   2288:20  Unique         3.07, 3.65 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#   63 ASP  HA           63 ASP  HB3         3.50    (#   2289:20  Unique         3.02, 3.04 A)
 &rst
  ixpk= 2289, nxpk= 20, iat= 953, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 LYS  HN           20 PHE  HB-         5.50    (#   2291:20  Unique         2.37, 3.11 A)
 &rst
  ixpk= 2291, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#   63 ASP  HA           63 ASP  HB2         2.80    (#   2292:20  Unique         2.45, 2.47 A)
 &rst
  ixpk= 2292, nxpk= 20, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 VAL  HA           63 ASP  HB2         4.50    (#   2293:20  Unique         3.58, 3.66 A)
 &rst
  ixpk= 2293, nxpk= 20, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HN           63 ASP  HB3         2.80    (#   2294:20  Unique         2.54, 2.58 A)
 &rst
  ixpk= 2294, nxpk= 20, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 MET  HG-          63 ASP  HB3         5.50    (#   2295:20  Unique         3.48, 4.47 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 970, 971,
 &end
#
#   64 MET  ME           63 ASP  HB2         4.50    (#   2297:20  Unique         4.66, 5.25 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#   60 VAL  HA           63 ASP  HB3         3.50    (#   2298:20  Unique         2.94, 3.06 A)
 &rst
  ixpk= 2298, nxpk= 20, iat= 919, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 PHE  HA           20 PHE  HB-         4.50    (#   2299:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 2299, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 271, 272,
 &end
#
#   64 MET  HN           63 ASP  HB3         3.50    (#   2300:20  Unique         2.50, 2.59 A)
 &rst
  ixpk= 2300, nxpk= 20, iat= 963, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HN           63 ASP  HB2         3.50    (#   2301:20  Unique         2.58, 2.60 A)
 &rst
  ixpk= 2301, nxpk= 20, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HN           63 ASP  HB2         4.50    (#   2302:20  Unique         3.83, 3.89 A)
 &rst
  ixpk= 2302, nxpk= 20, iat= 963, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  MGX          63 ASP  HB3         5.50    (#   2308:20  Unique         3.75, 5.25 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   51 GLU  HA           20 PHE  HB+         5.50    (#   2311:20  Unique         5.14, 6.18 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#   51 GLU  HA           20 PHE  HB+         5.50    (#   2312:20  Unique         5.14, 6.18 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#   58 ASP  HA           58 ASP  HB+         3.50    (#   2313:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 2313, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#   58 ASP  HA           58 ASP  HB-         2.80    (#   2314:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 2314, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 887, 888,
 &end
#
#   58 ASP  HN           58 ASP  HB+         2.80    (#   2315:20  Unique         2.45, 2.51 A)
 &rst
  ixpk= 2315, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 887, 888,
 &end
#
#   55 ASP  HA           58 ASP  HB+         4.50    (#   2316:20  Unique         3.06, 3.65 A)
 &rst
  ixpk= 2316, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   20 PHE  HA           20 PHE  HB+         5.50    (#   2317:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 2317, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 271, 272,
 &end
#
#    0 AMB  20-2:2320     0 AMB  20-1:2320   3.50    (#   2320:20  Double Ambig)
 &rst
  ixpk= 2320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 895, 870, 879,
 igr2= 887, 888, 887, 888,
 &end
#
#    0 AMB  20-2:2321    58 ASP  HB-         3.50    (#   2321:20  Single Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 895, 870, 879,
 igr2= 887, 888,
 &end
#
#   58 ASP  HN           58 ASP  HB-         3.50    (#   2322:20  Unique         2.45, 2.51 A)
 &rst
  ixpk= 2322, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    0 AMB  20-2:2326   125 TYR  HB-         4.50    (#   2326:20  Single Ambig)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1886,1390,1391,
 igr2=1888,1889,
 &end
#
#    0 AMB  20-2:2327     0 AMB  20-1:2327   4.50    (#   2327:20  Double Ambig)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1886,1390,1391,
 igr2=1888,1889,1888,1889,
 &end
#
#  125 TYR  HD          125 TYR  HB+         4.50    (#   2328:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1892,1901,
 igr2=1888,1889,
 &end
#
#  125 TYR  HD          125 TYR  HB-         4.50    (#   2329:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1892,1901,
 igr2=1888,1889,
 &end
#
#   93 TYR  HE          125 TYR  HB-         5.50    (#   2332:20  Unique         2.50, 5.81 A)
 &rst
  ixpk= 2332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1405,1410,
 igr2=1888,1889,
 &end
#
#  125 TYR  HN          125 TYR  HB-         5.50    (#   2333:20  Unique         2.89, 3.38 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1888,1889,
 &end
#
#    0 AMB  20-2:2342     0 AMB  20-1:2342   5.50    (#   2342:20  Double Ambig)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1124,1125,1390,1391,
 igr2=1458,1459,1888,1889,
 &end
#
#   75 GLY  HA+          97 TYR  HB+         5.50    (#   2344:20  Unique         2.26, 3.38 A)
 &rst
  ixpk= 2344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#   97 TYR  HD           97 TYR  HB+         3.50    (#   2348:20  Unique         2.32, 3.09 A)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1462,1471,
 igr2=1458,1459,
 &end
#
#    0 AMB  20-2:2349     0 AMB  20-1:2349   4.50    (#   2349:20  Double Ambig)
 &rst
  ixpk= 2349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1454,1129,
 igr2=1458,1459,1458,1459,
 &end
#
#   74 LEU  HN           74 LEU  HB3         4.50    (#   2350:20  Unique         3.61, 3.62 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=1103,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 GLY  HA-          97 TYR  HB-         3.50    (#   2351:20  Unique         2.26, 3.38 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#   97 TYR  HA           97 TYR  HB-         5.50    (#   2352:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   97 TYR  HD           97 TYR  HB-         3.50    (#   2353:20  Unique         2.32, 3.09 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1462,1471,
 igr2=1458,1459,
 &end
#
#    0 AMB  20-2:2354    97 TYR  HB-         4.50    (#   2354:20  Single Ambig)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1454,1129,
 igr2=1458,1459,
 &end
#
#   74 LEU  HA           74 LEU  HB2         4.50    (#   2355:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=1105,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  MDY          74 LEU  HB3         3.50    (#   2357:20  Unique         2.45, 3.14 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#    0 AMB  20-2:2358    74 LEU  HB3         5.50    (#   2358:20  Single Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1510,1511, 617, 618,1081,1082, 614, 615,
 &end
#
#   74 LEU  HA           74 LEU  HB3         3.50    (#   2359:20  Unique         2.47, 2.48 A)
 &rst
  ixpk= 2359, nxpk= 20, iat=1105,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  HG           74 LEU  HB2         3.50    (#   2360:20  Unique         2.42, 2.44 A)
 &rst
  ixpk= 2360, nxpk= 20, iat=1110,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  HG           74 LEU  HB3         3.50    (#   2361:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 2361, nxpk= 20, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 TYR  HA           97 TYR  HB+         3.50    (#   2364:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1458,1459,
 &end
#
#   74 LEU  HN           74 LEU  HB2         4.50    (#   2365:20  Unique         2.46, 2.47 A)
 &rst
  ixpk= 2365, nxpk= 20, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2366    74 LEU  HB3         2.80    (#   2366:20  Single Ambig)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    0 AMB  20-2:2367    74 LEU  HB2         2.80    (#   2367:20  Single Ambig)
 &rst
  ixpk= 2367, nxpk= 20, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#   45 ARG  HE           43 ILE  HB          4.50    (#   2368:20  Unique         2.97, 3.69 A)
 &rst
  ixpk= 2368, nxpk= 20, iat= 673, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2371    43 ILE  HB          5.50    (#   2371:20  Single Ambig)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 667, 668, 375, 376,1619,1620, 598, 599,
 &end
#
#    0 AMB  20-2:2372     0 AMB  20-1:2372   4.50    (#   2372:20  Double Ambig)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 598, 599,1110,
 igr2=  74,1107,
 &end
#
#   43 ILE  QD1          43 ILE  HB          3.50    (#   2373:20  Unique         2.56, 3.15 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 638, 639, 640,
 &end
#
#   11 ASP  HA           43 ILE  HB          4.50    (#   2376:20  Unique         3.35, 3.49 A)
 &rst
  ixpk= 2376, nxpk= 20, iat= 152, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ILE  HA           43 ILE  HB          3.50    (#   2377:20  Unique         2.41, 2.42 A)
 &rst
  ixpk= 2377, nxpk= 20, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ILE  QG2          43 ILE  HB          2.80    (#   2378:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2378, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#   44 VAL  HN           43 ILE  HB          3.50    (#   2379:20  Unique         2.46, 2.52 A)
 &rst
  ixpk= 2379, nxpk= 20, iat= 644, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ILE  HG1+         43 ILE  HB          4.50    (#   2381:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 635, 636,
 &end
#
#   43 ILE  HG1-         43 ILE  HB          3.50    (#   2382:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#   41 LYS  HG-           6 LEU  HB3         5.50    (#   2383:20  Unique         2.22, 3.29 A)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#    0 AMB  20-2:2384     0 AMB  20-1:2384   5.50    (#   2384:20  Double Ambig)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  98, 117,
 igr2=  61,  62,  61,  62,
 &end
#
#    6 LEU  MDY           6 LEU  HB3         3.50    (#   2385:20  Unique         2.40, 3.15 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    5 ASP  HN            5 ASP  HB+         3.50    (#   2386:20  Unique         2.77, 3.11 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#    0 AMB  20-2:2387     0 AMB  20-1:2387   5.50    (#   2387:20  Double Ambig)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  49, 119,
 igr2=  61,  62, 154, 155,
 &end
#
#    0 AMB  20-2:2389     6 LEU  HB3         4.50    (#   2389:20  Single Ambig)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 130, 131, 132, 414, 415, 416, 418, 419, 420,
 &end
#
#    0 AMB  20-2:2390     0 AMB  20-1:2390   4.50    (#   2390:20  Double Ambig)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1619,1620,1614,1616,1617,
 igr2= 154, 155, 154, 155, 154, 155,
 &end
#
#   11 ASP  HA           11 ASP  HB+         3.50    (#   2391:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#   79 ILE  HN           79 ILE  HB          4.50    (#   2392:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=1167,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ASP  HA           11 ASP  HB-         3.50    (#   2394:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 2394, nxpk= 20, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 154, 155,
 &end
#
#   12 VAL  HN           11 ASP  HB+         4.50    (#   2395:20  Unique         2.64, 3.39 A)
 &rst
  ixpk= 2395, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 154, 155,
 &end
#
#    0 AMB  20-2:2396     0 AMB  20-1:2396   3.50    (#   2396:20  Double Ambig)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1619,1620, 105,1614,1616,1617,
 igr2= 154, 155,  61,  62,
 &end
#
#    0 AMB  20-2:2399    11 ASP  HB-         3.50    (#   2399:20  Single Ambig)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2= 154, 155,
 &end
#
#  108 LYS  HD-          11 ASP  HB-         5.50    (#   2400:20  Unique         2.29, 4.95 A)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1619,1620,
 igr2= 154, 155,
 &end
#
#    0 AMB  20-2:2402     0 AMB  20-1:2402   3.50    (#   2402:20  Double Ambig)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,  37,  38,  39,  41,  42,  43,
 igr2=  61,  62,  61,  62,  61,  62,
 &end
#
#    5 ASP  HN            5 ASP  HB-         3.50    (#   2404:20  Unique         2.77, 3.11 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#    0 AMB  20-2:2405     0 AMB  20-1:2405   3.50    (#   2405:20  Double Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690,
 igr2= 154, 155, 154, 155,
 &end
#
#    5 ASP  HA            5 ASP  HB-         2.80    (#   2406:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  61,  62,
 &end
#
#    5 ASP  HA            5 ASP  HB+         3.50    (#   2407:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2407, nxpk= 20, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#   12 VAL  HN           11 ASP  HB+         5.50    (#   2408:20  Unique         2.64, 3.39 A)
 &rst
  ixpk= 2408, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#   79 ILE  HG1-         79 ILE  HB          5.50    (#   2410:20  Unique         2.57, 2.82 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
#    0 AMB  20-2:2412     0 AMB  20-1:2412   4.50    (#   2412:20  Double Ambig)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1=1619,1620,1692,1693,1614,1616,1617,
 igr2= 154, 155, 154, 155, 154, 155, 154, 155,
 &end
#
#    6 LEU  HN            5 ASP  HB-         5.50    (#   2413:20  Unique         3.83, 3.92 A)
 &rst
  ixpk= 2413, nxpk= 20, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  61,  62,
 &end
#
#   79 ILE  QD1          79 ILE  HB          4.50    (#   2414:20  Unique         2.48, 3.09 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1180,1181,1182,
 &end
#
#    8 LEU  HG            5 ASP  HB+         3.50    (#   2416:20  Unique         2.35, 3.29 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  61,  62,
 &end
#
#   50 ALA  HA           55 ASP  HB2         5.50    (#   2418:20  Unique         3.28, 3.31 A)
 &rst
  ixpk= 2418, nxpk= 20, iat= 760, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2419     5 ASP  HB-         4.50    (#   2419:20  Single Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,  37,  38,  39,  41,  42,  43,
 igr2=  61,  62,
 &end
#
#    6 LEU  HN            6 LEU  HB3         4.50    (#   2421:20  Unique         3.52, 3.55 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  69,  74, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LEU  MDX           6 LEU  HB2         2.80    (#   2422:20  Unique         2.51, 3.55 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HA            6 LEU  HB3         3.50    (#   2423:20  Unique         2.50, 2.53 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  71,  74, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LEU  HN            6 LEU  HB2         4.50    (#   2424:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 ALA  MB           55 ASP  HB3         3.50    (#   2426:20  Unique         2.26, 2.96 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#    6 LEU  HA            6 LEU  HB2         3.50    (#   2427:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=  71,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  HN           11 ASP  HB-         5.50    (#   2428:20  Unique         2.64, 3.39 A)
 &rst
  ixpk= 2428, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#    6 LEU  MDY           6 LEU  HB2         4.50    (#   2430:20  Unique         2.51, 3.55 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:2431    79 ILE  HB          3.50    (#   2431:20  Single Ambig)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1173,1174,1175,1177,1178,
 &end
#
#   41 LYS  HG+           6 LEU  HB2         5.50    (#   2432:20  Unique         3.77, 4.88 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#    0 AMB  20-2:2435    55 ASP  HB3         4.50    (#   2435:20  Single Ambig)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 751, 793, 798, 895,
 &end
#
#   52 TYR  HE           55 ASP  HB2         3.50    (#   2437:20  Unique         2.82, 4.03 A)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 793, 798,
 &end
#
#   55 ASP  HA           55 ASP  HB3         4.50    (#   2438:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 2438, nxpk= 20, iat= 833, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LEU  HN            6 LEU  HB2         4.50    (#   2439:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HN           55 ASP  HB3         5.50    (#   2441:20  Unique         4.23, 4.30 A)
 &rst
  ixpk= 2441, nxpk= 20, iat= 768, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2442     0 AMB  20-1:2442   4.50    (#   2442:20  Double Ambig)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 107, 108, 109, 111, 112, 113, 631, 632, 633,
 igr2=  61,  62, 154, 155,
 &end
#
#    0 AMB  20-2:2444    55 ASP  HB3         3.50    (#   2444:20  Single Ambig)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 843, 831,
 &end
#
#   50 ALA  MB           55 ASP  HB2         3.50    (#   2448:20  Unique         3.80, 4.53 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#    0 AMB  20-2:2449    55 ASP  HB2         3.50    (#   2449:20  Single Ambig)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 831, 843,
 &end
#
#    7 ALA  HN            0 AMB  20-1:2450   5.50    (#   2450:20  Single Ambig)
 &rst
  ixpk= 2450, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  73, 102, 103,
 &end
#
#   55 ASP  HA           55 ASP  HB2         3.50    (#   2451:20  Unique         2.54, 2.58 A)
 &rst
  ixpk= 2451, nxpk= 20, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ASP  HB+           8 LEU  HB+         5.50    (#   2452:20  Unique         3.09, 5.02 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  61,  62,
 igr2= 102, 103,
 &end
#
#    7 ALA  HN            0 AMB  20-1:2453   5.50    (#   2453:20  Single Ambig)
 &rst
  ixpk= 2453, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  73, 102, 103,
 &end
#
#    0 AMB  20-2:2454     6 LEU  HB3         5.50    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 601, 602,  61,  62,
 &end
#
#    9 ILE  HG1-          8 LEU  HB+         4.50    (#   2455:20  Unique         3.35, 4.84 A)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128,
 igr2= 102, 103,
 &end
#
#    8 LEU  MDY           8 LEU  HB-         3.50    (#   2458:20  Unique         2.44, 3.33 A)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:2460     8 LEU  HB-         3.50    (#   2460:20  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98, 117,
 igr2= 102, 103,
 &end
#
#    8 LEU  MDX           8 LEU  HB+         2.80    (#   2461:20  Unique         2.44, 3.33 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 102, 103,
 &end
#
#    8 LEU  MDX           8 LEU  HB-         2.80    (#   2462:20  Unique         2.44, 3.33 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 102, 103,
 &end
#
#    8 LEU  HA            8 LEU  HB-         3.50    (#   2463:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2463, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:2464     0 AMB  20-1:2464   2.80    (#   2464:20  Double Ambig)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  98, 117,
 igr2= 102, 103, 102, 103,
 &end
#
#    8 LEU  HA            8 LEU  HB+         3.50    (#   2465:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2465, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 102, 103,
 &end
#
#    8 LEU  MDY           8 LEU  HB+         3.50    (#   2466:20  Unique         2.44, 3.33 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 107, 108, 109, 111, 112, 113,
 igr2= 102, 103,
 &end
#
#   59 LYS  HB+          59 LYS  HE+         4.50    (#   2473:20  Unique         4.23, 4.56 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 899, 900,
 igr2= 908, 909,
 &end
#
#   13 ASP  HA           13 ASP  HB2         2.80    (#   2474:20  Unique         2.46, 2.48 A)
 &rst
  ixpk= 2474, nxpk= 20, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 ARG  HD+          13 ASP  HB2         4.50    (#   2475:20  Unique         4.09, 4.48 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#   49 TRP  HZ2          59 LYS  HE+         5.50    (#   2476:20  Unique         2.91, 4.02 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 908, 909,
 &end
#
#   45 ARG  HD+          13 ASP  HB3         4.50    (#   2479:20  Unique         2.40, 2.91 A)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#    0 AMB  20-2:2480     0 AMB  20-1:2480   5.50    (#   2480:20  Double Ambig)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1218,1219,1218,1219,1776,1777,
 igr2=1306,1307,1306,1307,1306,1307,
 &end
#
#   13 ASP  HN           13 ASP  HB3         5.50    (#   2482:20  Unique         3.02, 3.07 A)
 &rst
  ixpk= 2482, nxpk= 20, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 ARG  HD-          13 ASP  HB3         5.50    (#   2483:20  Unique         2.40, 2.91 A)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#   45 ARG  HD-          13 ASP  HB2         5.50    (#   2485:20  Unique         4.09, 4.48 A)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#   87 LYS  HG-          87 LYS  HE+         3.50    (#   2487:20  Unique         2.46, 3.44 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1306,1307,
 &end
#
#    0 AMB  20-2:2488    13 ASP  HB2         4.50    (#   2488:20  Single Ambig)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 190, 162,
 &end
#
#    0 AMB  20-2:2489     0 AMB  20-1:2489   2.80    (#   2489:20  Double Ambig)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1303,1304,1303,1304,
 igr2=1306,1307,1306,1307,
 &end
#
#   13 ASP  HN           13 ASP  HB2         4.50    (#   2491:20  Unique         3.49, 3.54 A)
 &rst
  ixpk= 2491, nxpk= 20, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 LYS  HG+          59 LYS  HE+         2.80    (#   2492:20  Unique         2.40, 3.00 A)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 902, 903,
 igr2= 908, 909,
 &end
#
#   87 LYS  HG+          87 LYS  HE+         3.50    (#   2493:20  Unique         2.46, 3.44 A)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1300,1301,
 igr2=1306,1307,
 &end
#
#    0 AMB  20-2:2495     0 AMB  20-1:2495   2.80    (#   2495:20  Double Ambig)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1007,1008,1004,1005,
 igr2=1010,1011,1010,1011,
 &end
#
#   41 LYS  HG+          41 LYS  HE+         4.50    (#   2497:20  Unique         2.43, 3.58 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#    0 AMB  20-2:2498     0 AMB  20-1:2498   4.50    (#   2498:20  Double Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 592, 593, 121,
 igr2= 601, 602, 601, 602,
 &end
#
#   59 LYS  HD+          59 LYS  HE+         2.80    (#   2500:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 905, 906,
 igr2= 908, 909,
 &end
#
#    0 AMB  20-2:2501   110 LYS  HE-         3.50    (#   2501:20  Single Ambig)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1776,1777,1791,
 igr2=1663,1664,
 &end
#
#   63 ASP  HA           66 LYS  HE+         4.50    (#   2502:20  Unique         2.08, 3.10 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1010,1011,
 &end
#
#   41 LYS  HG-          41 LYS  HE+         3.50    (#   2505:20  Unique         2.43, 3.58 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#   66 LYS  HA           66 LYS  HE+         5.50    (#   2506:20  Unique         4.68, 5.05 A)
 &rst
  ixpk= 2506, nxpk= 20, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1010,1011,
 &end
#
#   66 LYS  HB+          66 LYS  HE+         4.50    (#   2507:20  Unique         1.96, 3.10 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1001,1002,
 igr2=1010,1011,
 &end
#
#   41 LYS  HG+          41 LYS  HE-         4.50    (#   2509:20  Unique         2.43, 3.58 A)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#    0 AMB  20-2:2510    41 LYS  HE-         3.50    (#   2510:20  Single Ambig)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 631, 632, 633, 123, 124, 125,
 igr2= 601, 602,
 &end
#
#   27 VAL  MGY          41 LYS  HE-         3.50    (#   2511:20  Unique         4.24, 5.83 A)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 414, 415, 416, 418, 419, 420,
 igr2= 601, 602,
 &end
#
#   41 LYS  HD+          41 LYS  HE+         4.50    (#   2512:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599,
 igr2= 601, 602,
 &end
#
#    0 AMB  20-2:2515     0 AMB  20-1:2515   2.80    (#   2515:20  Double Ambig)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 614, 615,1004,1005,
 igr2=1622,1623,1010,1011,
 &end
#
#    0 AMB  20-2:2518    13 ASP  HB3         5.50    (#   2518:20  Single Ambig)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 190, 162,
 &end
#
#    0 AMB  20-2:2520     0 AMB  20-1:2520   3.50    (#   2520:20  Double Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1654,1655,1660,1661,
 igr2=1663,1664,1663,1664,
 &end
#
#    0 AMB  20-2:2521     0 AMB  20-1:2521   3.50    (#   2521:20  Double Ambig)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1616,1617,1619,1620,1657,1658,1660,1661,
 igr2=1622,1623,1622,1623,1663,1664,
 &end
#
#  110 LYS  HB-         110 LYS  HE+         5.50    (#   2522:20  Unique         2.15, 3.93 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1654,1655,
 igr2=1663,1664,
 &end
#
#    0 AMB  20-2:2523     0 AMB  20-1:2523   5.50    (#   2523:20  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 592, 593, 121,
 igr2= 601, 602, 601, 602,
 &end
#
#    0 AMB  20-2:2524     0 AMB  20-1:2524   4.50    (#   2524:20  Double Ambig)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1776,1777,1791,
 igr2=1663,1664,1663,1664,
 &end
#
#    0 AMB  20-2:2525     0 AMB  20-1:2525   4.50    (#   2525:20  Double Ambig)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1657,1658,1004,1005,
 igr2=1663,1664,1010,1011,
 &end
#
#    0 AMB  20-2:2527     0 AMB  20-1:2527   3.50    (#   2527:20  Double Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 631, 632, 633, 123, 124, 125,
 igr2= 601, 602, 601, 602,
 &end
#
#    0 AMB  20-2:2528     0 AMB  20-1:2528   2.80    (#   2528:20  Double Ambig)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1657,1658,1660,1661,
 igr2=1663,1664,1663,1664,
 &end
#
#  110 LYS  HG-         110 LYS  HE+         3.50    (#   2529:20  Unique         2.40, 2.95 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1663,1664,
 &end
#
#    0 AMB  20-2:2530     0 AMB  20-1:2530   3.50    (#   2530:20  Double Ambig)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1654,1655, 614, 615,1660,1661,
 igr2=1663,1664,1622,1623,
 &end
#
#    0 AMB  20-2:2533     0 AMB  20-1:2533   5.50    (#   2533:20  Double Ambig)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 770,1684, 897,1726,1727,1611,
 igr2= 300, 301,1695,1696, 908, 909,
 &end
#
#    0 AMB  20-2:2534     0 AMB  20-1:2534   3.50    (#   2534:20  Double Ambig)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1660,1661,1613,
 igr2=1663,1664,1622,1623,
 &end
#
#   12 VAL  HB          112 LYS  HE+         5.50    (#   2535:20  Unique         3.08, 4.70 A)
 &rst
  ixpk= 2535, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1695,1696,
 &end
#
#  117 GLU  HA          110 LYS  HE+         5.50    (#   2536:20  Unique         3.22, 4.20 A)
 &rst
  ixpk= 2536, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1663,1664,
 &end
#
#  117 GLU  HA          110 LYS  HE-         5.50    (#   2537:20  Unique         3.22, 4.20 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1663,1664,
 &end
#
#    0 AMB  20-2:2538   110 LYS  HE-         5.50    (#   2538:20  Single Ambig)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1663,1664,
 &end
#
#    0 AMB  20-2:2539   110 LYS  HE-         5.50    (#   2539:20  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1586,1587,1588,1809,1810,1811,
 igr2=1663,1664,
 &end
#
#  104 ILE  QG2         108 LYS  HE+         3.50    (#   2540:20  Unique         2.16, 3.86 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1556,1557,1558,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:2541   110 LYS  HE-         5.50    (#   2541:20  Single Ambig)
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1663,1664,
 &end
#
#  108 LYS  HD-         108 LYS  HE+         3.50    (#   2542:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1619,1620,
 igr2=1622,1623,
 &end
#
#   12 VAL  MGY         112 LYS  HE+         5.50    (#   2544:20  Unique         2.53, 6.37 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1695,1696,
 &end
#
#    0 AMB  20-2:2546     0 AMB  20-1:2546   3.50    (#   2546:20  Double Ambig)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 614, 615, 775, 776,1613,
 igr2=1622,1623, 300, 301,
 &end
#
#    0 AMB  20-2:2548     0 AMB  20-1:2548   3.50    (#   2548:20  Double Ambig)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,
 igr2=1622,1623,1695,1696,
 &end
#
#   42 GLU  HN          108 LYS  HE+         5.50    (#   2549:20  Unique         3.15, 4.67 A)
 &rst
  ixpk= 2549, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:2552     0 AMB  20-1:2552   3.50    (#   2552:20  Double Ambig)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1692,1693, 297, 298,1300,1301,
 igr2=1695,1696, 300, 301,1306,1307,
 &end
#
#    0 AMB  20-2:2553     0 AMB  20-1:2553   5.50    (#   2553:20  Double Ambig)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 154, 155,1153,1154,
 igr2=1695,1696, 300, 301,
 &end
#
#    0 AMB  20-2:2554     0 AMB  20-1:2554   3.50    (#   2554:20  Double Ambig)
 &rst
  ixpk= 2554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1692,1693,1619,1620, 297, 298,
 igr2=1695,1696,1622,1623, 300, 301,
 &end
#
#    0 AMB  20-2:2555   112 LYS  HE-         2.80    (#   2555:20  Single Ambig)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1695,1696,
 &end
#
#    0 AMB  20-2:2556     0 AMB  20-1:2556   3.50    (#   2556:20  Double Ambig)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1692,1693, 297, 298,
 igr2=1695,1696, 300, 301,
 &end
#
#    0 AMB  20-2:2557     0 AMB  20-1:2557   3.50    (#   2557:20  Double Ambig)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1692,1693, 297, 298,
 igr2=1695,1696, 300, 301,
 &end
#
#    0 AMB  20-2:2562     0 AMB  20-1:2562   2.80    (#   2562:20  Double Ambig)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2=1695,1696,1695,1696,
 &end
#
#    0 AMB  20-2:2564     0 AMB  20-1:2564   3.50    (#   2564:20  Double Ambig)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 257, 258, 259,1147,1148,
 igr2=1153,1154,1153,1154,
 &end
#
#   78 ARG  HG+          78 ARG  HD+         4.50    (#   2565:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#   21 LYS  HA           78 ARG  HD+         5.50    (#   2566:20  Unique         4.48, 4.84 A)
 &rst
  ixpk= 2566, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1153,1154,
 &end
#
#    0 AMB  20-2:2568    78 ARG  HD-         2.80    (#   2568:20  Single Ambig)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 257, 258, 259,1147,1148,
 igr2=1153,1154,
 &end
#
#    0 AMB  20-2:2571     0 AMB  20-1:2571   3.50    (#   2571:20  Double Ambig)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1150,1151,1150,1151,
 igr2=1153,1154, 300, 301,
 &end
#
#   21 LYS  HA            0 AMB  20-1:2572   5.50    (#   2572:20  Single Ambig)
 &rst
  ixpk= 2572, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1153,1154, 300, 301,
 &end
#
#   78 ARG  HB-          78 ARG  HD+         5.50    (#   2573:20  Unique         2.41, 3.19 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1147,1148,
 igr2=1153,1154,
 &end
#
#   78 ARG  HG+          78 ARG  HD+         4.50    (#   2574:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#   78 ARG  HG+          78 ARG  HD+         4.50    (#   2575:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1153,1154,
 &end
#
#  124 GLY  HA-         123 ASP  HB+         5.50    (#   2576:20  Unique         4.06, 5.11 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1879,1880,
 igr2=1869,1870,
 &end
#
#   97 TYR  HB+          75 GLY  HA+         5.50    (#   2577:20  Unique         2.26, 3.38 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#    0 AMB  20-2:2580    14 ILE  HB          2.80    (#   2580:20  Single Ambig)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 196, 197, 198, 203, 204, 205,
 &end
#
#  123 ASP  HA          123 ASP  HB+         2.80    (#   2581:20  Unique         2.45, 2.80 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=1867,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1869,1870,
 &end
#
#   14 ILE  HA           14 ILE  HB          4.50    (#   2582:20  Unique         2.47, 2.49 A)
 &rst
  ixpk= 2582, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 ILE  HA           14 ILE  HB          4.50    (#   2583:20  Unique         2.47, 2.49 A)
 &rst
  ixpk= 2583, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LEU  HA           25 ILE  HB          5.50    (#   2586:20  Unique         4.89, 5.44 A)
 &rst
  ixpk= 2586, nxpk= 20, iat= 348, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  123 ASP  HN          123 ASP  HB+         3.50    (#   2587:20  Unique         2.42, 2.87 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1869,1870,
 &end
#
#  124 GLY  HN          123 ASP  HB+         2.80    (#   2589:20  Unique         2.86, 3.40 A)
 &rst
  ixpk= 2589, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1869,1870,
 &end
#
#   76 GLY  HN           75 GLY  HA+         4.50    (#   2590:20  Unique         2.48, 2.62 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#  121 ALA  MB          123 ASP  HB+         3.50    (#   2591:20  Unique         3.04, 4.79 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1845,1846,1847,
 igr2=1869,1870,
 &end
#
#  100 ALA  HA           75 GLY  HA-         4.50    (#   2592:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#   76 GLY  HN           75 GLY  HA-         4.50    (#   2593:20  Unique         2.48, 2.62 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#   75 GLY  HN           75 GLY  HA+         3.50    (#   2597:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1124,1125,
 &end
#
#   75 GLY  HN           75 GLY  HA-         4.50    (#   2598:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#    0 AMB  20-2:2599     0 AMB  20-1:2599   3.50    (#   2599:20  Double Ambig)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 igr2=1124,1125,1124,1125,
 &end
#
#   76 GLY  HN           75 GLY  HA+         4.50    (#   2600:20  Unique         2.48, 2.62 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#   76 GLY  HN           75 GLY  HA-         4.50    (#   2602:20  Unique         2.48, 2.62 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1124,1125,
 &end
#
#  100 ALA  MB           75 GLY  HA-         5.50    (#   2603:20  Unique         3.02, 4.61 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1500,1501,1502,
 igr2=1124,1125,
 &end
#
#   97 TYR  HB-          75 GLY  HA-         5.50    (#   2604:20  Unique         2.26, 3.38 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#   25 ILE  HA           25 ILE  HB          4.50    (#   2605:20  Unique         2.12, 2.13 A)
 &rst
  ixpk= 2605, nxpk= 20, iat= 367, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 TYR  HB+          75 GLY  HA-         3.50    (#   2606:20  Unique         2.26, 3.38 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1124,1125,
 &end
#
#  100 ALA  HA           75 GLY  HA+         3.50    (#   2607:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1124,1125,
 &end
#
#   73 CYS  HB-          25 ILE  HB          3.50    (#   2608:20  Unique         2.95, 4.00 A)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1096,1097,
 &end
#
#   14 ILE  HG1-         14 ILE  HB          4.50    (#   2609:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 200, 201,
 &end
#
#  100 ALA  HA           75 GLY  HA-         5.50    (#   2610:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 2610, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
#  100 ALA  HN           75 GLY  HA+         5.50    (#   2612:20  Unique         3.42, 4.24 A)
 &rst
  ixpk= 2612, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
#    0 AMB  20-2:2613    25 ILE  HB          4.50    (#   2613:20  Single Ambig)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 635, 636, 353, 391, 392,
 &end
#
#   43 ILE  QD1          25 ILE  HB          5.50    (#   2614:20  Unique         5.30, 6.33 A)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#    0 AMB  20-2:2615    25 ILE  HB          3.50    (#   2615:20  Single Ambig)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 365,1092,
 &end
#
#    0 AMB  20-2:2616    25 ILE  HB          2.80    (#   2616:20  Single Ambig)
 &rst
  ixpk= 2616, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 378, 379, 380, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:2617    25 ILE  HB          5.50    (#   2617:20  Single Ambig)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082, 629,
 &end
#
#   43 ILE  HN           25 ILE  HB          5.50    (#   2619:20  Unique         5.55, 5.57 A)
 &rst
  ixpk= 2619, nxpk= 20, iat= 625, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ALA  HA           75 GLY  HA-         5.50    (#   2622:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 2622, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1124,1125,
 &end
#
#   26 ARG  HG-          26 ARG  HD+         3.50    (#   2628:20  Unique         2.37, 2.62 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 391, 392,
 igr2= 394, 395,
 &end
#
#   32 ARG  HG+          32 ARG  HD+         3.50    (#   2630:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 483, 484,
 igr2= 486, 487,
 &end
#
#   28 HIS  HE1          26 ARG  HD+         4.50    (#   2632:20  Unique         2.48, 3.26 A)
 &rst
  ixpk= 2632, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 394, 395,
 &end
#
#   26 ARG  HE           26 ARG  HD+         4.50    (#   2638:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2638, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 394, 395,
 &end
#
#   28 HIS  HD2          70 ASP  HB-         5.50    (#   2643:20  Unique         2.36, 3.36 A)
 &rst
  ixpk= 2643, nxpk= 20, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#   70 ASP  HA           70 ASP  HB+         2.80    (#   2645:20  Unique         2.46, 2.75 A)
 &rst
  ixpk= 2645, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1058,1059,
 &end
#
#   71 CYS  HN           70 ASP  HB+         4.50    (#   2650:20  Unique         3.90, 4.12 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#   28 HIS  HN           70 ASP  HB-         5.50    (#   2652:20  Unique         3.75, 4.61 A)
 &rst
  ixpk= 2652, nxpk= 20, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#   28 HIS  HB3          70 ASP  HB-         5.50    (#   2656:20  Unique         3.89, 4.92 A)
 &rst
  ixpk= 2656, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#   28 HIS  HD2          70 ASP  HB+         4.50    (#   2662:20  Unique         2.36, 3.36 A)
 &rst
  ixpk= 2662, nxpk= 20, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#   45 ARG  HE           45 ARG  HD+         4.50    (#   2665:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#   47 TYR  HE           45 ARG  HD-         5.50    (#   2667:20  Unique         2.63, 4.43 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 701, 706,
 igr2= 670, 671,
 &end
#
#   28 HIS  HB2          70 ASP  HB-         4.50    (#   2668:20  Unique         2.52, 3.44 A)
 &rst
  ixpk= 2668, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#   70 ASP  HN           70 ASP  HB+         4.50    (#   2669:20  Unique         2.69, 3.02 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#   28 HIS  HB2          70 ASP  HB+         4.50    (#   2670:20  Unique         2.52, 3.44 A)
 &rst
  ixpk= 2670, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1058,1059,
 &end
#
#   70 ASP  HN           70 ASP  HB-         3.50    (#   2671:20  Unique         2.69, 3.02 A)
 &rst
  ixpk= 2671, nxpk= 20, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#   70 ASP  HA           70 ASP  HB-         3.50    (#   2673:20  Unique         2.46, 2.75 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1058,1059,
 &end
#
#   13 ASP  HB2          45 ARG  HD-         5.50    (#   2674:20  Unique         4.09, 4.48 A)
 &rst
  ixpk= 2674, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#   45 ARG  HA           45 ARG  HD-         4.50    (#   2682:20  Unique         2.19, 3.02 A)
 &rst
  ixpk= 2682, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#   45 ARG  HA           45 ARG  HD+         4.50    (#   2683:20  Unique         2.19, 3.02 A)
 &rst
  ixpk= 2683, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#   45 ARG  HG+          45 ARG  HD-         5.50    (#   2685:20  Unique         2.19, 2.72 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 667, 668,
 igr2= 670, 671,
 &end
#
#   13 ASP  HB3          45 ARG  HD-         4.50    (#   2686:20  Unique         2.40, 2.91 A)
 &rst
  ixpk= 2686, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#   45 ARG  HB3          45 ARG  HD+         4.50    (#   2689:20  Unique         2.39, 2.91 A)
 &rst
  ixpk= 2689, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#   13 ASP  HB3          45 ARG  HD+         4.50    (#   2690:20  Unique         2.40, 2.91 A)
 &rst
  ixpk= 2690, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#    0 AMB  20-2:2691    45 ARG  HD-         5.50    (#   2691:20  Single Ambig)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 667, 668, 665,
 igr2= 670, 671,
 &end
#
#   71 CYS  HN           70 ASP  HB-         5.50    (#   2693:20  Unique         3.90, 4.12 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#   13 ASP  HN           45 ARG  HD-         5.50    (#   2694:20  Unique         2.20, 3.96 A)
 &rst
  ixpk= 2694, nxpk= 20, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#   45 ARG  HB3          45 ARG  HD-         4.50    (#   2695:20  Unique         2.39, 2.91 A)
 &rst
  ixpk= 2695, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 670, 671,
 &end
#
#   13 ASP  HB2          45 ARG  HD+         5.50    (#   2696:20  Unique         4.09, 4.48 A)
 &rst
  ixpk= 2696, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#   45 ARG  HE           45 ARG  HD-         5.50    (#   2697:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 2697, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#   45 ARG  HE           45 ARG  HD-         5.50    (#   2698:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 2698, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 670, 671,
 &end
#
#   99 PRO  HD-          98 GLY  HA-         3.50    (#   2708:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#   99 PRO  HD+          98 GLY  HA+         3.50    (#   2709:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#   98 GLY  HN           98 GLY  HA-         4.50    (#   2711:20  Unique         2.29, 2.62 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1477,1478,
 &end
#
#   99 PRO  HD-          98 GLY  HA+         3.50    (#   2714:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#   99 PRO  HD+          98 GLY  HA-         3.50    (#   2717:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1483,1484,
 igr2=1477,1478,
 &end
#
#   98 GLY  HN           98 GLY  HA+         4.50    (#   2718:20  Unique         2.29, 2.62 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1477,1478,
 &end
#
#   94 SER  HB-          76 GLY  HA-         4.50    (#   2720:20  Unique         2.15, 4.22 A)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1420,1421,
 igr2=1131,1132,
 &end
#
#   94 SER  HB-          76 GLY  HA+         5.50    (#   2721:20  Unique         2.15, 4.22 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1420,1421,
 igr2=1131,1132,
 &end
#
#   23 VAL  HA           76 GLY  HA+         3.50    (#   2726:20  Unique         2.18, 2.44 A)
 &rst
  ixpk= 2726, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1131,1132,
 &end
#
#   22 TYR  HD           22 TYR  HB+         5.50    (#   2727:20  Unique         2.35, 3.07 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 313, 314,
 &end
#
#  100 ALA  MB           76 GLY  HA+         5.50    (#   2728:20  Unique         2.33, 4.06 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1500,1501,1502,
 igr2=1131,1132,
 &end
#
#   79 ILE  QD1          22 TYR  HB+         4.50    (#   2729:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1180,1181,1182,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:2730     0 AMB  20-1:2730   3.50    (#   2730:20  Double Ambig)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1131,1132,1131,1132,
 &end
#
#  100 ALA  MB           76 GLY  HA-         5.50    (#   2731:20  Unique         2.33, 4.06 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1500,1501,1502,
 igr2=1131,1132,
 &end
#
#   23 VAL  HA           76 GLY  HA-         3.50    (#   2732:20  Unique         2.18, 2.44 A)
 &rst
  ixpk= 2732, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1131,1132,
 &end
#
#   24 LEU  HN           76 GLY  HA-         5.50    (#   2737:20  Unique         3.02, 3.52 A)
 &rst
  ixpk= 2737, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#    0 AMB  20-2:2738    76 GLY  HA-         4.50    (#   2738:20  Single Ambig)
 &rst
  ixpk= 2738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 igr2=1131,1132,
 &end
#
#   77 GLY  HN           76 GLY  HA+         4.50    (#   2740:20  Unique         2.38, 2.58 A)
 &rst
  ixpk= 2740, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#   76 GLY  HN           76 GLY  HA+         4.50    (#   2742:20  Unique         2.64, 2.82 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#   77 GLY  HN           76 GLY  HA+         4.50    (#   2743:20  Unique         2.38, 2.58 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#   22 TYR  HA           22 TYR  HB+         3.50    (#   2746:20  Unique         2.18, 2.51 A)
 &rst
  ixpk= 2746, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 313, 314,
 &end
#
#   24 LEU  HN           76 GLY  HA+         5.50    (#   2747:20  Unique         3.02, 3.52 A)
 &rst
  ixpk= 2747, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#   22 TYR  HE           76 GLY  HA-         4.50    (#   2749:20  Unique         2.57, 4.87 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 324,
 igr2=1131,1132,
 &end
#
#   22 TYR  HA           22 TYR  HB-         3.50    (#   2751:20  Unique         2.18, 2.51 A)
 &rst
  ixpk= 2751, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 313, 314,
 &end
#
#   23 VAL  HN           22 TYR  HB-         5.50    (#   2752:20  Unique         2.95, 3.51 A)
 &rst
  ixpk= 2752, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#   77 GLY  HN           76 GLY  HA-         4.50    (#   2753:20  Unique         2.38, 2.58 A)
 &rst
  ixpk= 2753, nxpk= 20, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1131,1132,
 &end
#
#   23 VAL  HN           22 TYR  HB+         4.50    (#   2754:20  Unique         2.95, 3.51 A)
 &rst
  ixpk= 2754, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 313, 314,
 &end
#
#   79 ILE  QD1          22 TYR  HB+         4.50    (#   2755:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1180,1181,1182,
 igr2= 313, 314,
 &end
#
#  102 HIS  HD2          24 LEU  HB-         5.50    (#   2756:20  Unique         4.87, 5.55 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#   79 ILE  HG1-         22 TYR  HB-         5.50    (#   2757:20  Unique         2.21, 3.45 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1177,1178,
 igr2= 313, 314,
 &end
#
#   79 ILE  QD1          22 TYR  HB-         4.50    (#   2758:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1180,1181,1182,
 igr2= 313, 314,
 &end
#
#   76 GLY  HN           76 GLY  HA-         5.50    (#   2759:20  Unique         2.64, 2.82 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1131,1132,
 &end
#
#    0 AMB  20-2:2760     0 AMB  20-1:2760   5.50    (#   2760:20  Double Ambig)
 &rst
  ixpk= 2760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 196, 197, 198, 650, 651, 652, 654, 655, 656, 203,
       204, 205,
 igr2= 313, 314, 313, 314, 313, 314,
 &end
#
#   23 VAL  HN           22 TYR  HB-         5.50    (#   2761:20  Unique         2.95, 3.51 A)
 &rst
  ixpk= 2761, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 313, 314,
 &end
#
#   79 ILE  HG1+         22 TYR  HB-         5.50    (#   2762:20  Unique         2.21, 3.45 A)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1177,1178,
 igr2= 313, 314,
 &end
#
#   22 TYR  HD           22 TYR  HB+         5.50    (#   2763:20  Unique         2.35, 3.07 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 313, 314,
 &end
#
#   24 LEU  HA           24 LEU  HB-         4.50    (#   2765:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2765, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#   24 LEU  HN           24 LEU  HB+         3.50    (#   2766:20  Unique         2.50, 2.72 A)
 &rst
  ixpk= 2766, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 350, 351,
 &end
#
#  102 HIS  HD2          24 LEU  HB+         5.50    (#   2767:20  Unique         4.87, 5.55 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#   46 GLY  HA-          22 TYR  HB+         5.50    (#   2768:20  Unique         2.14, 3.36 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#   24 LEU  HN           24 LEU  HB-         4.50    (#   2769:20  Unique         2.50, 2.72 A)
 &rst
  ixpk= 2769, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#   24 LEU  HG           24 LEU  HB-         3.50    (#   2771:20  Unique         2.35, 2.56 A)
 &rst
  ixpk= 2771, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 350, 351,
 &end
#
#   24 LEU  MDX          24 LEU  HB-         2.80    (#   2774:20  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:2776     0 AMB  20-1:2776   2.80    (#   2776:20  Double Ambig)
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 igr2= 350, 351, 350, 351,
 &end
#
#  102 HIS  HD2          24 LEU  HB-         5.50    (#   2777:20  Unique         4.87, 5.55 A)
 &rst
  ixpk= 2777, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
#   24 LEU  HA           24 LEU  HB+         4.50    (#   2779:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2779, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 350, 351,
 &end
#
#    0 AMB  20-2:2780     0 AMB  20-1:2780   3.50    (#   2780:20  Double Ambig)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 353,1107,
 igr2= 350, 351, 350, 351,
 &end
#
#   35 ALA  HN           34 GLY  HA-         5.50    (#   2782:20  Unique         2.62, 3.32 A)
 &rst
  ixpk= 2782, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514,
 &end
#
#   35 ALA  HN           34 GLY  HA+         5.50    (#   2790:20  Unique         2.62, 3.32 A)
 &rst
  ixpk= 2790, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 514,
 &end
#
#   91 TYR  HD          124 GLY  HA-         5.50    (#   2793:20  Unique         2.17, 4.87 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1375,1384,
 igr2=1879,1880,
 &end
#
#   91 TYR  HD          124 GLY  HA+         4.50    (#   2796:20  Unique         2.17, 4.87 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1375,1384,
 igr2=1879,1880,
 &end
#
#  124 GLY  HN          124 GLY  HA-         2.80    (#   2798:20  Unique         2.30, 2.69 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1879,1880,
 &end
#
#  124 GLY  HN          124 GLY  HA+         4.50    (#   2800:20  Unique         2.30, 2.69 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=1877,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1879,1880,
 &end
#
#  125 TYR  HN          124 GLY  HA-         3.50    (#   2801:20  Unique         2.36, 2.58 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1879,1880,
 &end
#
#  125 TYR  HN          124 GLY  HA+         4.50    (#   2804:20  Unique         2.36, 2.58 A)
 &rst
  ixpk= 2804, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1879,1880,
 &end
#
#   30 ALA  MB           68 GLY  HA-         5.50    (#   2805:20  Unique         4.69, 6.43 A)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458,
 igr2=1038,1039,
 &end
#
#    0 AMB  20-2:2806     0 AMB  20-1:2806   3.50    (#   2806:20  Double Ambig)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1390,1391, 504, 505,
 igr2=1138,1139,1038,1039,
 &end
#
#   93 TYR  HN           92 GLY  HA+         3.50    (#   2809:20  Unique         2.26, 2.57 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#    0 AMB  20-2:2811     0 AMB  20-1:2811   4.50    (#   2811:20  Double Ambig)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 457, 458, 297, 298,
 igr2=1038,1039,1138,1139,
 &end
#
#   92 GLY  HN           92 GLY  HA-         4.50    (#   2812:20  Unique         2.26, 2.61 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#    0 AMB  20-2:2816    92 GLY  HA-         5.50    (#   2816:20  Single Ambig)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1375,1384,1405,1410,
 igr2=1390,1391,
 &end
#
#   68 GLY  HN           68 GLY  HA+         3.50    (#   2817:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 2817, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1038,1039,
 &end
#
#   92 GLY  HN           92 GLY  HA+         3.50    (#   2819:20  Unique         2.26, 2.61 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#    0 AMB  20-2:2820     0 AMB  20-1:2820   5.50    (#   2820:20  Double Ambig)
 &rst
  ixpk= 2820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1375,1384,1405,1410,
 igr2=1390,1391,1390,1391,
 &end
#
#   92 GLY  HN           92 GLY  HA-         4.50    (#   2821:20  Unique         2.26, 2.61 A)
 &rst
  ixpk= 2821, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#  102 HIS  HD2          77 GLY  HA-         5.50    (#   2823:20  Unique         4.07, 5.12 A)
 &rst
  ixpk= 2823, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#    0 AMB  20-2:2824    92 GLY  HA-         5.50    (#   2824:20  Single Ambig)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1375,1384,1405,1410,
 igr2=1390,1391,
 &end
#
#   68 GLY  HN           68 GLY  HA-         2.80    (#   2825:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1038,1039,
 &end
#
#   93 TYR  HN           77 GLY  HA-         5.50    (#   2826:20  Unique         2.59, 3.76 A)
 &rst
  ixpk= 2826, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#   93 TYR  HN           92 GLY  HA-         3.50    (#   2827:20  Unique         2.26, 2.57 A)
 &rst
  ixpk= 2827, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#   93 TYR  HN           77 GLY  HA-         5.50    (#   2828:20  Unique         2.59, 3.76 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1138,1139,
 &end
#
#   78 ARG  HN           92 GLY  HA-         5.50    (#   2829:20  Unique         3.08, 4.25 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1390,1391,
 &end
#
#   67 GLN  HN           68 GLY  HA+         5.50    (#   2830:20  Unique         4.78, 5.14 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   67 GLN  HN           68 GLY  HA-         5.50    (#   2831:20  Unique         4.78, 5.14 A)
 &rst
  ixpk= 2831, nxpk= 20, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    0 AMB  20-2:2833     0 AMB  20-1:2833   3.50    (#   2833:20  Double Ambig)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 319, 324,1533,
 igr2=1138,1139,1138,1139,
 &end
#
#    0 AMB  20-2:2834    77 GLY  HA-         3.50    (#   2834:20  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 319, 324,1533,
 igr2=1138,1139,
 &end
#
#   78 ARG  HN           77 GLY  HA-         3.50    (#   2835:20  Unique         2.33, 2.63 A)
 &rst
  ixpk= 2835, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1138,1139,
 &end
#
#   78 ARG  HN           77 GLY  HA+         3.50    (#   2836:20  Unique         2.33, 2.63 A)
 &rst
  ixpk= 2836, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1138,1139,
 &end
#
#    0 AMB  20-2:2837    62 GLY  HA-         4.50    (#   2837:20  Single Ambig)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 984, 985,
 igr2= 946, 947,
 &end
#
#   65 GLN  HB3          62 GLY  HA-         5.50    (#   2838:20  Unique         4.38, 5.30 A)
 &rst
  ixpk= 2838, nxpk= 20, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:2839     0 AMB  20-1:2839   4.50    (#   2839:20  Double Ambig)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 984, 985,
 igr2= 946, 947, 946, 947,
 &end
#
#   62 GLY  HN           62 GLY  HA-         2.80    (#   2841:20  Unique         2.27, 2.55 A)
 &rst
  ixpk= 2841, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 946, 947,
 &end
#
#   62 GLY  HN           62 GLY  HA+         2.80    (#   2845:20  Unique         2.27, 2.55 A)
 &rst
  ixpk= 2845, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 946, 947,
 &end
#
#   63 ASP  HN           62 GLY  HA+         3.50    (#   2846:20  Unique         2.84, 3.24 A)
 &rst
  ixpk= 2846, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 946, 947,
 &end
#
#   63 ASP  HN           62 GLY  HA-         3.50    (#   2847:20  Unique         2.84, 3.24 A)
 &rst
  ixpk= 2847, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 946, 947,
 &end
#
#   22 TYR  HD           46 GLY  HA-         5.50    (#   2848:20  Unique         3.93, 5.25 A)
 &rst
  ixpk= 2848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 686, 687,
 &end
#
#   46 GLY  HN           46 GLY  HA-         5.50    (#   2849:20  Unique         2.81, 2.82 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 686, 687,
 &end
#
#    0 AMB  20-2:2850    46 GLY  HA-         4.50    (#   2850:20  Single Ambig)
 &rst
  ixpk= 2850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 691, 275, 283,
 igr2= 686, 687,
 &end
#
#    0 AMB  20-2:2851    46 GLY  HA-         4.50    (#   2851:20  Single Ambig)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2= 686, 687,
 &end
#
#   56 ILE  QD1          46 GLY  HA-         3.50    (#   2852:20  Unique         2.26, 3.37 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 686, 687,
 &end
#
#    0 AMB  20-2:2853     0 AMB  20-1:2853   3.50    (#   2853:20  Double Ambig)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 691, 275, 283,
 igr2= 686, 687, 686, 687,
 &end
#
#   22 TYR  HA           46 GLY  HA-         3.50    (#   2855:20  Unique         2.26, 2.41 A)
 &rst
  ixpk= 2855, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#   22 TYR  HA           46 GLY  HA+         3.50    (#   2857:20  Unique         2.26, 2.41 A)
 &rst
  ixpk= 2857, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#   22 TYR  HB+          46 GLY  HA+         5.50    (#   2858:20  Unique         2.14, 3.36 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 313, 314,
 igr2= 686, 687,
 &end
#
#   14 ILE  QG2          46 GLY  HA-         4.50    (#   2859:20  Unique         3.00, 4.66 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 196, 197, 198,
 igr2= 686, 687,
 &end
#
#   56 ILE  QD1          46 GLY  HA+         3.50    (#   2860:20  Unique         2.26, 3.37 A)
 &rst
  ixpk= 2860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858,
 igr2= 686, 687,
 &end
#
#   22 TYR  HB+          46 GLY  HA-         5.50    (#   2862:20  Unique         2.14, 3.36 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 313, 314,
 igr2= 686, 687,
 &end
#
#   14 ILE  QG2          46 GLY  HA+         5.50    (#   2864:20  Unique         3.00, 4.66 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 196, 197, 198,
 igr2= 686, 687,
 &end
#
#    0 AMB  20-2:2866     0 AMB  20-1:2866   3.50    (#   2866:20  Double Ambig)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 313, 314,1486,1487,
 igr2= 686, 687,1483,1484,
 &end
#
#   99 PRO  HB+          99 PRO  HD+         5.50    (#   2869:20  Unique         2.95, 3.73 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1489,1490,
 igr2=1483,1484,
 &end
#
#   98 GLY  HA+          99 PRO  HD+         3.50    (#   2870:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#   98 GLY  HA-          99 PRO  HD-         3.50    (#   2872:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#   99 PRO  HG-          99 PRO  HD-         3.50    (#   2873:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#   99 PRO  HG+          99 PRO  HD+         3.50    (#   2874:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#   99 PRO  HG-          99 PRO  HD+         3.50    (#   2875:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1486,1487,
 igr2=1483,1484,
 &end
#
#   98 GLY  HA-          99 PRO  HD+         3.50    (#   2876:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1477,1478,
 igr2=1483,1484,
 &end
#
#   35 ALA  HN           36 PRO  HD+         5.50    (#   2896:20  Unique         4.57, 4.85 A)
 &rst
  ixpk= 2896, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 529, 530,
 &end
#
#   35 ALA  HA           36 PRO  HD+         2.80    (#   2899:20  Unique         2.30, 2.38 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 529, 530,
 &end
#
#   37 ALA  HN           36 PRO  HD+         5.50    (#   2900:20  Unique         2.68, 3.71 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 529, 530,
 &end
#
#   36 PRO  HG+          35 ALA  HA          4.50    (#   2901:20  Unique         4.52, 4.57 A)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 532, 533,
 &end
#
#    0 AMB  20-2:2904     0 AMB  20-1:2904   2.80    (#   2904:20  Double Ambig)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 520, 454,
 igr2= 529, 530, 463, 464,
 &end
#
#   35 ALA  HN           35 ALA  HA          4.50    (#   2910:20  Unique         2.79, 2.89 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 518, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 PRO  HD+          35 ALA  HA          2.80    (#   2912:20  Unique         2.30, 2.38 A)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 529, 530,
 &end
#
#    0 AMB  20-2:2913     0 AMB  20-1:2913   4.50    (#   2913:20  Double Ambig)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 472, 538,
 igr2= 463, 464, 529, 530,
 &end
#
#    0 AMB  20-2:2922   100 ALA  HA          2.80    (#   2922:20  Single Ambig)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#  101 GLN  HN          100 ALA  HA          2.80    (#   2923:20  Unique         2.37, 2.44 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=1506,1498, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 GLY  HA+         100 ALA  HA          3.50    (#   2925:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#   75 GLY  HA-         100 ALA  HA          4.50    (#   2928:20  Unique         2.22, 3.30 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
#  100 ALA  HN          100 ALA  HA          4.50    (#   2931:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 2931, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2939     0 AMB  20-1:2939   2.80    (#   2939:20  Double Ambig)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 529, 530, 463, 464,
 igr2= 520, 454,
 &end
#
#   31 PRO  HD+          30 ALA  HA          3.50    (#   2940:20  Unique         2.96, 3.60 A)
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 463, 464,
 &end
#
#    0 AMB  20-2:2946     0 AMB  20-1:2946   2.80    (#   2946:20  Double Ambig)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 520, 454,
 igr2= 529, 530, 463, 464,
 &end
#
#   35 ALA  MB           35 ALA  HA          2.80    (#   2951:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 522, 523, 524,
 &end
#
#   35 ALA  MB            0 AMB  20-1:2956   3.50    (#   2956:20  Single Ambig)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 522, 523, 524,
 igr2= 529, 530, 463, 464,
 &end
#
#   36 PRO  HD-          35 ALA  HA          2.80    (#   2960:20  Unique         2.30, 2.38 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 529, 530,
 &end
#
#  114 PRO  HB+         114 PRO  HD+         5.50    (#   2961:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1732,1733,
 igr2=1726,1727,
 &end
#
#  114 PRO  HA          114 PRO  HD+         5.50    (#   2963:20  Unique         3.53, 3.80 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1726,1727,
 &end
#
#    0 AMB  20-2:2964    10 PRO  HD-         5.50    (#   2964:20  Single Ambig)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 117,  98,
 igr2= 137, 138,
 &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= 5.94, r4= 6.44,
 igr1=1637,1638,1639, 123, 124, 125,
 igr2=1726,1727, 137, 138,
 &end
#
#  114 PRO  HG+         114 PRO  HD+         2.80    (#   2966:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1729,1730,
 igr2=1726,1727,
 &end
#
#    0 AMB  20-2:2968     0 AMB  20-1:2968   5.50    (#   2968:20  Double Ambig)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 117,  98,
 igr2= 137, 138, 137, 138,
 &end
#
#    0 AMB  20-2:2969     0 AMB  20-1:2969   4.50    (#   2969:20  Double Ambig)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1686,1687,1732,1733,
 igr2=1726,1727,1726,1727,
 &end
#
#  114 PRO  HG+         114 PRO  HD-         2.80    (#   2973:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 2973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1729,1730,
 igr2=1726,1727,
 &end
#
#    0 AMB  20-2:2974     0 AMB  20-1:2974   2.80    (#   2974:20  Double Ambig)
 &rst
  ixpk= 2974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 119,1706,
 igr2= 137, 138,1726,1727,
 &end
#
#  114 PRO  HB+         114 PRO  HD+         5.50    (#   2975:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1732,1733,
 igr2=1726,1727,
 &end
#
#    0 AMB  20-2:2976     0 AMB  20-1:2976   2.80    (#   2976:20  Double Ambig)
 &rst
  ixpk= 2976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 119,1706,
 igr2= 137, 138,1726,1727,
 &end
#
#    0 AMB  20-2:2978     0 AMB  20-1:2978   3.50    (#   2978:20  Double Ambig)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1637,1638,1639, 123, 124, 125,
 igr2=1726,1727, 137, 138,
 &end
#
#  114 PRO  HA          114 PRO  HD-         5.50    (#   2979:20  Unique         3.53, 3.80 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1726,1727,
 &end
#
#    0 AMB  20-2:2981   114 PRO  HD-         5.50    (#   2981:20  Single Ambig)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1686,1687,1732,1733,
 igr2=1726,1727,
 &end
#
#  114 PRO  HB+         114 PRO  HD-         5.50    (#   2983:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1732,1733,
 igr2=1726,1727,
 &end
#
#  120 TRP  HD1         121 ALA  HA          5.50    (#   2993:20  Unique         5.58, 5.60 A)
 &rst
  ixpk= 2993, nxpk= 20, iat=1825,1843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  121 ALA  MB          121 ALA  HA          2.80    (#   2997:20  Unique         2.48, 2.69 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1845,1846,1847,
 &end
#
#    0 AMB  20-2:2998   121 ALA  HA          4.50    (#   2998:20  Single Ambig)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1344,1834,1832,
 &end
#
#    0 AMB  20-2:2999   121 ALA  HA          2.80    (#   2999:20  Single Ambig)
 &rst
  ixpk= 2999, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1851,1841,
 &end
#
#    0 AMB  20-2:3000   121 ALA  HA          5.50    (#   3000:20  Single Ambig)
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1855,1856,1371,1372,
 &end
#
#    2 ALA  HN            2 ALA  HA          3.50    (#   3001:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=  21,  23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ALA  MB            0 AMB  20-1:3002   2.80    (#   3002:20  Single Ambig)
 &rst
  ixpk= 3002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 546, 547, 548,
 igr2= 544, 554,
 &end
#
#    0 AMB  20-2:3006     0 AMB  20-1:3006   5.50    (#   3006:20  Double Ambig)
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 569, 570, 569, 570, 535, 536, 569, 570,
 igr2= 544, 554,
 &end
#
#    0 AMB  20-2:3008     0 AMB  20-1:3008   4.50    (#   3008:20  Double Ambig)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  35,   8,   9, 566, 567,
 igr2=  23, 554,
 &end
#
#    3 VAL  HN            2 ALA  HA          2.80    (#   3009:20  Unique         2.34, 2.47 A)
 &rst
  ixpk= 3009, nxpk= 20, iat=  31,  23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3011     0 AMB  20-1:3011   5.50    (#   3011:20  Double Ambig)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=   8,   9, 480, 481, 566, 567,
 igr2=  23, 554,
 &end
#
#    0 AMB  20-2:3013     2 ALA  HA          3.50    (#   3013:20  Single Ambig)
 &rst
  ixpk= 3013, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#   55 ASP  HB2          50 ALA  HA          4.50    (#   3015:20  Unique         3.28, 3.31 A)
 &rst
  ixpk= 3015, nxpk= 20, iat= 835, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3017    50 ALA  HA          3.50    (#   3017:20  Single Ambig)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 753, 831,
 &end
#
#    0 AMB  20-2:3018    50 ALA  HA          4.50    (#   3018:20  Single Ambig)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 751, 793, 798,
 &end
#
#   55 ASP  HB3          50 ALA  HA          4.50    (#   3019:20  Unique         2.31, 2.41 A)
 &rst
  ixpk= 3019, nxpk= 20, iat= 836, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3020    50 ALA  HA          4.50    (#   3020:20  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 772, 773,
 &end
#
#   51 GLU  HN           50 ALA  HA          2.80    (#   3021:20  Unique         2.32, 2.34 A)
 &rst
  ixpk= 3021, nxpk= 20, iat= 768, 760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 ALA  MB           50 ALA  HA          2.80    (#   3022:20  Unique         2.38, 2.62 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 762, 763, 764,
 &end
#
#    0 AMB  20-2:3023    38 ALA  HA          2.80    (#   3023:20  Single Ambig)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 562, 552,
 &end
#
#   52 TYR  HN           50 ALA  HA          4.50    (#   3024:20  Unique         3.00, 3.07 A)
 &rst
  ixpk= 3024, nxpk= 20, iat= 783, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           50 ALA  HA          5.50    (#   3025:20  Unique         4.55, 4.57 A)
 &rst
  ixpk= 3025, nxpk= 20, iat= 770, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ALA  MB           38 ALA  HA          2.80    (#   3026:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 556, 557, 558,
 &end
#
#   45 ARG  HB3          45 ARG  HA          4.50    (#   3029:20  Unique         2.49, 2.52 A)
 &rst
  ixpk= 3029, nxpk= 20, iat= 665, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 ALA  HN           50 ALA  HA          3.50    (#   3030:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 3030, nxpk= 20, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 ARG  HD-          45 ARG  HA          4.50    (#   3031:20  Unique         2.19, 3.02 A)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 670, 671,
 &end
#
#   45 ARG  HN           45 ARG  HA          4.50    (#   3032:20  Unique         2.96, 2.97 A)
 &rst
  ixpk= 3032, nxpk= 20, iat= 660, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLY  HN           45 ARG  HA          3.50    (#   3033:20  Unique         2.29, 2.31 A)
 &rst
  ixpk= 3033, nxpk= 20, iat= 684, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3034    50 ALA  HA          4.50    (#   3034:20  Single Ambig)
 &rst
  ixpk= 3034, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 772, 773,
 &end
#
#    5 ASP  HB+           4 ALA  HA          4.50    (#   3036:20  Unique         4.22, 4.34 A)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  61,  62,
 &end
#
#   45 ARG  HD+          45 ARG  HA          3.50    (#   3037:20  Unique         2.19, 3.02 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 670, 671,
 &end
#
#   45 ARG  HG+          45 ARG  HA          5.50    (#   3038:20  Unique         3.14, 3.54 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   45 ARG  HB2          45 ARG  HA          5.50    (#   3039:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 3039, nxpk= 20, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3040    45 ARG  HA          4.50    (#   3040:20  Single Ambig)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 196, 197, 198, 650, 651, 652, 654, 655, 656,
 &end
#
#   13 ASP  HN           45 ARG  HA          4.50    (#   3041:20  Unique         3.12, 3.33 A)
 &rst
  ixpk= 3041, nxpk= 20, iat= 178, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3042     4 ALA  HA          4.50    (#   3042:20  Single Ambig)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 107, 108, 109, 111, 112, 113,  37,  38,  39,  41,
        42,  43,
 &end
#
#    5 ASP  HN            4 ALA  HA          2.80    (#   3045:20  Unique         2.39, 2.60 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=  57,  49, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 ALA  MB            4 ALA  HA          2.80    (#   3046:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#    5 ASP  HB-           4 ALA  HA          5.50    (#   3047:20  Unique         4.22, 4.34 A)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    4 ALA  HN            4 ALA  HA          3.50    (#   3048:20  Unique         2.84, 2.89 A)
 &rst
  ixpk= 3048, nxpk= 20, iat=  47,  49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3049   122 ASN  HA          4.50    (#   3049:20  Single Ambig)
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1851,1841,
 &end
#
#  123 ASP  HN          122 ASN  HA          3.50    (#   3050:20  Unique         2.83, 3.19 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=1865,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3051   122 ASN  HA          3.50    (#   3051:20  Single Ambig)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1836,1533,
 &end
#
#  122 ASN  HB-         122 ASN  HA          3.50    (#   3052:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 3052, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#  121 ALA  MB          122 ASN  HA          5.50    (#   3054:20  Unique         4.99, 5.43 A)
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1845,1846,1847,
 &end
#
#  122 ASN  HB+         122 ASN  HA          2.80    (#   3055:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1855,1856,
 &end
#
#  102 HIS  HD2          24 LEU  HA          7.00    (#   3059:20  Unique         7.02, 7.04 A)
 &rst
  ixpk= 3059, nxpk= 20, iat=1536, 348, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:3060    24 LEU  HA          3.50    (#   3060:20  Single Ambig)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 350, 351, 650, 651, 652, 654, 655, 656,
 &end
#
#   24 LEU  HG           24 LEU  HA          4.50    (#   3061:20  Unique         2.60, 3.48 A)
 &rst
  ixpk= 3061, nxpk= 20, iat= 353, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LEU  HN           24 LEU  HA          4.50    (#   3062:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 3062, nxpk= 20, iat= 346, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LEU  HB+          24 LEU  HA          3.50    (#   3064:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 3064, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#   25 ILE  HN           24 LEU  HA          2.80    (#   3065:20  Unique         2.26, 2.27 A)
 &rst
  ixpk= 3065, nxpk= 20, iat= 365, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3066    24 LEU  HA          2.80    (#   3066:20  Single Ambig)
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 355, 356, 357, 359, 360, 361, 371, 372, 373,
 &end
#
#    0 AMB  20-2:3067    24 LEU  HA          4.50    (#   3067:20  Single Ambig)
 &rst
  ixpk= 3067, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 646, 367,
 &end
#
#   24 LEU  MDX          24 LEU  HA          3.50    (#   3068:20  Unique         2.26, 3.64 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#    7 ALA  HN            5 ASP  HA          4.50    (#   3086:20  Unique         4.31, 4.33 A)
 &rst
  ixpk= 3086, nxpk= 20, iat=  88,  59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ASP  HB-           5 ASP  HA          2.80    (#   3087:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  61,  62,
 &end
#
#    5 ASP  HB+           5 ASP  HA          3.50    (#   3088:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    6 LEU  HN            5 ASP  HA          2.80    (#   3089:20  Unique         2.32, 2.37 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=  69,  59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ASP  HN            5 ASP  HA          3.50    (#   3090:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=  57,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 SER  HB+           5 ASP  HA          5.50    (#   3093:20  Unique         5.02, 5.99 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#   31 PRO  HB+           5 ASP  HA          4.50    (#   3096:20  Unique         3.51, 4.66 A)
 &rst
  ixpk= 3096, nxpk= 20, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 469, 470,
 &end
#
#   75 GLY  HN           74 LEU  HA          4.50    (#   3100:20  Unique         3.51, 3.52 A)
 &rst
  ixpk= 3100, nxpk= 20, iat=1122,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 LEU  MDY          74 LEU  HA          2.80    (#   3101:20  Unique         2.25, 3.77 A)
 &rst
  ixpk= 3101, nxpk= 20, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   74 LEU  MDX          74 LEU  HA          3.50    (#   3102:20  Unique         2.25, 3.77 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   74 LEU  HG           74 LEU  HA          3.50    (#   3103:20  Unique         3.26, 3.28 A)
 &rst
  ixpk= 3103, nxpk= 20, iat=1110,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  HB3          74 LEU  HA          2.80    (#   3104:20  Unique         2.47, 2.48 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=1108,1105, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 LYS  HE+          20 PHE  HA          5.50    (#   3105:20  Unique         4.08, 5.32 A)
 &rst
  ixpk= 3105, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 300, 301,
 &end
#
#  111 ALA  MB          111 ALA  HA          2.80    (#   3106:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#   74 LEU  HB2          74 LEU  HA          3.50    (#   3107:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 3107, nxpk= 20, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ALA  MB            7 ALA  HA          2.80    (#   3108:20  Unique         2.46, 2.66 A)
 &rst
  ixpk= 3108, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  92,  93,  94,
 &end
#
#    7 ALA  HN            7 ALA  HA          2.80    (#   3109:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 3109, nxpk= 20, iat=  88,  90, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 LEU  HN           74 LEU  HA          4.50    (#   3110:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 3110, nxpk= 20, iat=1103,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  111 ALA  HN          111 ALA  HA          3.50    (#   3112:20  Unique         2.82, 2.83 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3114     7 ALA  HA          3.50    (#   3114:20  Single Ambig)
 &rst
  ixpk= 3114, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  98, 117,
 &end
#
#   20 PHE  HB-          20 PHE  HA          3.50    (#   3116:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#   20 PHE  HN           20 PHE  HA          3.50    (#   3117:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 3117, nxpk= 20, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          111 ALA  HA          4.50    (#   3119:20  Unique         3.61, 3.62 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=1682,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 VAL  MGY          89 HIS  HA          4.50    (#   3120:20  Unique         3.27, 5.40 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   21 LYS  HN           20 PHE  HA          3.50    (#   3121:20  Unique         2.46, 2.48 A)
 &rst
  ixpk= 3121, nxpk= 20, iat= 287, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 PHE  HB+          20 PHE  HA          3.50    (#   3123:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 3123, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#   90 VAL  HN           89 HIS  HA          2.80    (#   3124:20  Unique         2.30, 2.33 A)
 &rst
  ixpk= 3124, nxpk= 20, iat=1351,1336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  119 THR  HN           89 HIS  HA          3.50    (#   3125:20  Unique         2.24, 2.31 A)
 &rst
  ixpk= 3125, nxpk= 20, iat=1803,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3126     7 ALA  HA          4.50    (#   3126:20  Single Ambig)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  73, 102, 103,
 &end
#
#   89 HIS  HB-          89 HIS  HA          3.50    (#   3127:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1338,1339,
 &end
#
#   89 HIS  HB+          89 HIS  HA          3.50    (#   3128:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 3128, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1338,1339,
 &end
#
#   19 VAL  MG1          20 PHE  HA          5.50    (#   3130:20  Unique         3.37, 4.61 A)
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 257, 258, 259,
 &end
#
#   90 VAL  MGY          89 HIS  HA          5.50    (#   3131:20  Unique         3.27, 5.40 A)
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:3132     0 AMB  20-1:3132   5.50    (#   3132:20  Double Ambig)
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=  73,1297,1298, 102, 103,
 igr2=  90,1199,
 &end
#
#  103 ALA  HN          101 GLN  HA          5.50    (#   3134:20  Unique         3.25, 3.32 A)
 &rst
  ixpk= 3134, nxpk= 20, iat=1540,1508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 GLN  HN          101 GLN  HA          3.50    (#   3135:20  Unique         2.95, 2.96 A)
 &rst
  ixpk= 3135, nxpk= 20, iat=1506,1508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLN  HG+         101 GLN  HA          3.50    (#   3136:20  Unique         2.50, 3.17 A)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1513,1514,
 &end
#
#  101 GLN  HG-         101 GLN  HA          3.50    (#   3137:20  Unique         2.50, 3.17 A)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1513,1514,
 &end
#
#  102 HIS  HN          101 GLN  HA          3.5    (#   3139:20  Unique         2.36, 2.41 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=1523,1508, r1= 1.30, r2= 1.80, r3= 3.5, r4= 4.0,  &end
#
#  101 GLN  HB-         101 GLN  HA          2.80    (#   3140:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#  101 GLN  HB+         101 GLN  HA          2.80    (#   3141:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 3141, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#    0 AMB  20-2:3142     0 AMB  20-1:3142   5.50    (#   3142:20  Double Ambig)
 &rst
  ixpk= 3142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 691, 275, 283,
 igr2= 693, 311,
 &end
#
#    6 LEU  MDY          28 HIS  HA          5.50    (#   3143:20  Unique         2.92, 4.52 A)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   28 HIS  HB2          28 HIS  HA          3.50    (#   3144:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 3144, nxpk= 20, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 HIS  HB3          28 HIS  HA          3.50    (#   3145:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 3145, nxpk= 20, iat= 429, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HB3          28 HIS  HA          4.50    (#   3146:20  Unique         3.16, 3.24 A)
 &rst
  ixpk= 3146, nxpk= 20, iat= 582, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 SER  HB-          28 HIS  HA          5.50    (#   3147:20  Unique         4.50, 5.22 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#   46 GLY  HA+          22 TYR  HA          3.50    (#   3148:20  Unique         2.26, 2.41 A)
 &rst
  ixpk= 3148, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 686, 687,
 &end
#
#   29 SER  HN           28 HIS  HA          2.80    (#   3149:20  Unique         2.30, 2.34 A)
 &rst
  ixpk= 3149, nxpk= 20, iat= 441, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 HIS  HN           28 HIS  HA          3.50    (#   3150:20  Unique         2.94, 2.97 A)
 &rst
  ixpk= 3150, nxpk= 20, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ALA  HA          101 GLN  HA          5.50    (#   3151:20  Unique         4.49, 4.50 A)
 &rst
  ixpk= 3151, nxpk= 20, iat=1498,1508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 TYR  HN           22 TYR  HA          5.50    (#   3152:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 3152, nxpk= 20, iat= 309, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ILE  QD1           0 AMB  20-1:3153   5.50    (#   3153:20  Single Ambig)
 &rst
  ixpk= 3153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1180,1181,1182,
 igr2= 311, 693,
 &end
#
#   22 TYR  HB-          22 TYR  HA          3.50    (#   3154:20  Unique         2.18, 2.51 A)
 &rst
  ixpk= 3154, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 314,
 &end
#
#   46 GLY  HA-          22 TYR  HA          4.50    (#   3155:20  Unique         2.26, 2.41 A)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 686, 687,
 &end
#
#    0 AMB  20-2:3156   101 GLN  HA          4.50    (#   3156:20  Single Ambig)
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,1508, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,1563,
      1564,1565,
 &end
#
#    8 LEU  MDX           8 LEU  HA          3.50    (#   3157:20  Unique         2.21, 3.85 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:3158     0 AMB  20-1:3158   3.50    (#   3158:20  Double Ambig)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 313, 314, 271, 272,
 igr2= 311, 693,
 &end
#
#    8 LEU  HB-           8 LEU  HA          2.80    (#   3159:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#    8 LEU  MDY           8 LEU  HA          2.80    (#   3162:20  Unique         2.21, 3.85 A)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    0 AMB  20-2:3163     8 LEU  HA          2.80    (#   3163:20  Single Ambig)
 &rst
  ixpk= 3163, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  98, 117,
 &end
#
#   23 VAL  HN           22 TYR  HA          3.50    (#   3164:20  Unique         2.43, 2.46 A)
 &rst
  ixpk= 3164, nxpk= 20, iat= 330, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HB2          28 HIS  HA          4.50    (#   3165:20  Unique         4.41, 4.50 A)
 &rst
  ixpk= 3165, nxpk= 20, iat= 581, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  QD1          22 TYR  HA          3.50    (#   3169:20  Unique         2.19, 2.52 A)
 &rst
  ixpk= 3169, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 856, 857, 858,
 &end
#
#   40 SER  HA           28 HIS  HA          3.50    (#   3172:20  Unique         2.19, 2.27 A)
 &rst
  ixpk= 3172, nxpk= 20, iat= 579, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 THR  HN          103 ALA  HA          5.50    (#   3173:20  Unique         3.49, 3.59 A)
 &rst
  ixpk= 3173, nxpk= 20, iat=1580,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 LEU  MDX          28 HIS  HA          3.50    (#   3175:20  Unique         2.92, 4.52 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    7 ALA  MB            8 LEU  HA          5.50    (#   3176:20  Unique         4.44, 4.97 A)
 &rst
  ixpk= 3176, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   41 LYS  HN           28 HIS  HA          4.50    (#   3179:20  Unique         3.73, 3.83 A)
 &rst
  ixpk= 3179, nxpk= 20, iat= 588, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3184    67 GLN  HA          2.80    (#   3184:20  Single Ambig)
 &rst
  ixpk= 3184, nxpk= 20, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1024,1026,1027,
 &end
#
#   81 HIS  HB+          81 HIS  HA          4.50    (#   3185:20  Unique         2.34, 2.58 A)
 &rst
  ixpk= 3185, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1201,1202,
 &end
#
#   67 GLN  HN           67 GLN  HA          3.50    (#   3187:20  Unique         2.87, 2.88 A)
 &rst
  ixpk= 3187, nxpk= 20, iat=1019,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 TRP  HN          120 TRP  HA          4.50    (#   3188:20  Unique         2.90, 2.91 A)
 &rst
  ixpk= 3188, nxpk= 20, iat=1817,1819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 HIS  HB-          81 HIS  HA          4.50    (#   3189:20  Unique         2.34, 2.58 A)
 &rst
  ixpk= 3189, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1201,1202,
 &end
#
#  103 ALA  HN          103 ALA  HA          4.50    (#   3191:20  Unique         2.81, 2.82 A)
 &rst
  ixpk= 3191, nxpk= 20, iat=1540,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 ILE  HN          103 ALA  HA          5.50    (#   3193:20  Unique         3.58, 3.60 A)
 &rst
  ixpk= 3193, nxpk= 20, iat=1550,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 TRP  HD1         120 TRP  HA          7.00    (#   3194:20  Unique         4.29, 4.31 A)
 &rst
  ixpk= 3194, nxpk= 20, iat=1825,1819, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  121 ALA  HN          120 TRP  HA          3.50    (#   3195:20  Unique         2.31, 2.38 A)
 &rst
  ixpk= 3195, nxpk= 20, iat=1841,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 VAL  MGY         120 TRP  HA          5.50    (#   3196:20  Unique         4.24, 5.51 A)
 &rst
  ixpk= 3196, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#  120 TRP  HD1         103 ALA  HA          5.50    (#   3197:20  Unique         3.80, 3.93 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=1825,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 HIS  HE1         120 TRP  HA          4.50    (#   3198:20  Unique         3.29, 3.60 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=1344,1819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 VAL  HB          120 TRP  HA          3.50    (#   3199:20  Unique         3.51, 3.53 A)
 &rst
  ixpk= 3199, nxpk= 20, iat=1355,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 ALA  MB          103 ALA  HA          2.80    (#   3201:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 3201, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1544,1545,1546,
 &end
#
#    0 AMB  20-2:3202   120 TRP  HA          2.80    (#   3202:20  Single Ambig)
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1821,1822,1821,1822,
 &end
#
#   90 VAL  HN          120 TRP  HA          3.50    (#   3203:20  Unique         2.29, 2.36 A)
 &rst
  ixpk= 3203, nxpk= 20, iat=1351,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 VAL  MGX         120 TRP  HA          5.50    (#   3205:20  Unique         4.24, 5.51 A)
 &rst
  ixpk= 3205, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:3207   103 ALA  HA          4.50    (#   3207:20  Single Ambig)
 &rst
  ixpk= 3207, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1584,1525,1508,
 &end
#
#  106 THR  MG2         103 ALA  HA          4.50    (#   3208:20  Unique         4.43, 4.97 A)
 &rst
  ixpk= 3208, nxpk= 20, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#   87 LYS  HG-          87 LYS  HA          3.50    (#   3209:20  Unique         2.30, 3.11 A)
 &rst
  ixpk= 3209, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1300,1301,
 &end
#
#    0 AMB  20-2:3212   120 TRP  HA          5.50    (#   3212:20  Single Ambig)
 &rst
  ixpk= 3212, nxpk= 20, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#   96 ALA  MB           96 ALA  HA          2.80    (#   3213:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 3213, nxpk= 20, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1448,1449,1450,
 &end
#
#   88 ILE  HN           87 LYS  HA          3.50    (#   3214:20  Unique         2.15, 2.34 A)
 &rst
  ixpk= 3214, nxpk= 20, iat=1315,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 SER  HN           32 ARG  HA          5.50    (#   3216:20  Unique         2.21, 2.91 A)
 &rst
  ixpk= 3216, nxpk= 20, iat= 500, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 ALA  HN           96 ALA  HA          5.50    (#   3220:20  Unique         2.89, 2.94 A)
 &rst
  ixpk= 3220, nxpk= 20, iat=1444,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 TRP  HE1         103 ALA  HA          4.50    (#   3222:20  Unique         3.24, 3.41 A)
 &rst
  ixpk= 3222, nxpk= 20, iat=1827,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 LYS  HB-          87 LYS  HA          3.50    (#   3224:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 3224, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1297,1298,
 &end
#
#   32 ARG  HB-          32 ARG  HA          4.50    (#   3225:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3225, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#   87 LYS  HB+          87 LYS  HA          3.50    (#   3226:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 3226, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1297,1298,
 &end
#
#   32 ARG  HB+          32 ARG  HA          4.50    (#   3227:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3227, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    0 AMB  20-2:3228    87 LYS  HA          5.50    (#   3228:20  Single Ambig)
 &rst
  ixpk= 3228, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1776,1777,1218,1219,1218,1219,
 &end
#
#   32 ARG  HG+          32 ARG  HA          4.50    (#   3229:20  Unique         2.45, 3.10 A)
 &rst
  ixpk= 3229, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 483, 484,
 &end
#
#    0 AMB  20-2:3233    26 ARG  HA          4.50    (#   3233:20  Single Ambig)
 &rst
  ixpk= 3233, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 388, 617, 618,
 &end
#
#    0 AMB  20-2:3234    26 ARG  HA          3.50    (#   3234:20  Single Ambig)
 &rst
  ixpk= 3234, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 388, 617, 618,
 &end
#
#   72 GLU  HB-          72 GLU  HA          3.50    (#   3235:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3235, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#   72 GLU  HB+          72 GLU  HA          3.50    (#   3236:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#    0 AMB  20-2:3237    72 GLU  HA          3.50    (#   3237:20  Single Ambig)
 &rst
  ixpk= 3237, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1084,1085,1084,1085,
 &end
#
#   42 GLU  HA           26 ARG  HA          2.80    (#   3239:20  Unique         2.09, 2.25 A)
 &rst
  ixpk= 3239, nxpk= 20, iat= 612, 386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   72 GLU  HN           72 GLU  HA          4.50    (#   3240:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 3240, nxpk= 20, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 CYS  HN           72 GLU  HA          3.50    (#   3241:20  Unique         2.26, 2.29 A)
 &rst
  ixpk= 3241, nxpk= 20, iat=1092,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3242    26 ARG  HA          2.80    (#   3242:20  Single Ambig)
 &rst
  ixpk= 3242, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 408, 384,
 &end
#
#   43 ILE  HN           26 ARG  HA          5.50    (#   3243:20  Unique         3.71, 3.78 A)
 &rst
  ixpk= 3243, nxpk= 20, iat= 625, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3244    26 ARG  HA          3.50    (#   3244:20  Single Ambig)
 &rst
  ixpk= 3244, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 391, 392, 414, 415, 416, 418, 419, 420, 378, 379,
       380,
 &end
#
#   26 ARG  HG+          26 ARG  HA          4.50    (#   3245:20  Unique         2.41, 2.88 A)
 &rst
  ixpk= 3245, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#   26 ARG  HB3          26 ARG  HA          4.50    (#   3246:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 3246, nxpk= 20, iat= 389, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3247    26 ARG  HA          4.50    (#   3247:20  Single Ambig)
 &rst
  ixpk= 3247, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361, 631, 632, 633,1563,1564,1565,
 &end
#
#    1 MET  HB-           1 MET  HA          4.50    (#   3249:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#   43 ILE  HN           26 ARG  HA          4.50    (#   3250:20  Unique         3.71, 3.78 A)
 &rst
  ixpk= 3250, nxpk= 20, iat= 625, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 GLU  HG+          26 ARG  HA          5.50    (#   3251:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 3251, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#    1 MET  HB+           1 MET  HA          3.50    (#   3252:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 3252, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#    2 ALA  HN            1 MET  HA          4.50    (#   3253:20  Unique         2.19, 2.23 A)
 &rst
  ixpk= 3253, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 ALA  MB            1 MET  HA          5.50    (#   3256:20  Unique         4.57, 5.02 A)
 &rst
  ixpk= 3256, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  25,  26,  27,
 &end
#
#   41 LYS  HG+          41 LYS  HA          4.50    (#   3260:20  Unique         3.70, 3.84 A)
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#   41 LYS  HN           41 LYS  HA          3.50    (#   3262:20  Unique         2.88, 2.93 A)
 &rst
  ixpk= 3262, nxpk= 20, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3263    41 LYS  HA          2.80    (#   3263:20  Single Ambig)
 &rst
  ixpk= 3263, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 592, 593, 592, 593,
 &end
#
#    0 AMB  20-2:3264    41 LYS  HA          5.50    (#   3264:20  Single Ambig)
 &rst
  ixpk= 3264, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 612, 579,
 &end
#
#   42 GLU  HN           41 LYS  HA          2.80    (#   3266:20  Unique         2.46, 2.48 A)
 &rst
  ixpk= 3266, nxpk= 20, iat= 610, 590, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3274    42 GLU  HA          3.50    (#   3274:20  Single Ambig)
 &rst
  ixpk= 3274, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 355, 356, 357, 359, 360, 361, 355, 356, 357, 359,
       360, 361, 631, 632, 633,1112,1113,1114,1116,1117,
      1118,
 &end
#
#    0 AMB  20-2:3275    42 GLU  HA          5.50    (#   3275:20  Single Ambig)
 &rst
  ixpk= 3275, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596, 635, 636,
 &end
#
#    0 AMB  20-2:3276    42 GLU  HA          5.50    (#   3276:20  Single Ambig)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636, 391, 392,
 &end
#
#   43 ILE  HN           42 GLU  HA          2.80    (#   3280:20  Unique         2.21, 2.26 A)
 &rst
  ixpk= 3280, nxpk= 20, iat= 625, 612, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3281    42 GLU  HA          2.80    (#   3281:20  Single Ambig)
 &rst
  ixpk= 3281, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 617, 618, 614, 615,
 &end
#
#    0 AMB  20-2:3282    42 GLU  HA          3.50    (#   3282:20  Single Ambig)
 &rst
  ixpk= 3282, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 408, 384,
 &end
#
#   42 GLU  HG+          42 GLU  HA          4.50    (#   3284:20  Unique         2.44, 3.06 A)
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#  121 ALA  HN           91 TYR  HA          4.50    (#   3285:20  Unique         2.98, 3.11 A)
 &rst
  ixpk= 3285, nxpk= 20, iat=1841,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 GLU  HN           42 GLU  HA          4.50    (#   3286:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 3286, nxpk= 20, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 TYR  HB-          91 TYR  HA          4.50    (#   3287:20  Unique         2.33, 2.44 A)
 &rst
  ixpk= 3287, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#   26 ARG  HA           42 GLU  HA          3.50    (#   3290:20  Unique         2.09, 2.25 A)
 &rst
  ixpk= 3290, nxpk= 20, iat= 386, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3291    91 TYR  HA          4.50    (#   3291:20  Single Ambig)
 &rst
  ixpk= 3291, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1388,1865,
 &end
#
#  118 VAL  MGY         117 GLU  HA          5.50    (#   3293:20  Unique         2.93, 4.86 A)
 &rst
  ixpk= 3293, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#  117 GLU  HB+         117 GLU  HA          3.50    (#   3294:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 3294, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1776,1777,
 &end
#
#  117 GLU  HB-         117 GLU  HA          3.50    (#   3296:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 3296, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1776,1777,
 &end
#
#  118 VAL  HN          117 GLU  HA          2.80    (#   3298:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 3298, nxpk= 20, iat=1787,1774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   91 TYR  HB+          91 TYR  HA          4.50    (#   3300:20  Unique         2.33, 2.44 A)
 &rst
  ixpk= 3300, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1371,1372,
 &end
#
#   91 TYR  HD           91 TYR  HA          5.50    (#   3302:20  Unique         3.85, 4.27 A)
 &rst
  ixpk= 3302, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1375,1384,
 &end
#
#   39 GLU  HB+          39 GLU  HA          2.80    (#   3304:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 566, 567,
 &end
#
#   39 GLU  HB-          39 GLU  HA          2.80    (#   3305:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 3305, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 566, 567,
 &end
#
#   40 SER  HN           39 GLU  HA          2.80    (#   3307:20  Unique         2.50, 2.64 A)
 &rst
  ixpk= 3307, nxpk= 20, iat= 577, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  118 VAL  MGX         117 GLU  HA          5.50    (#   3308:20  Unique         2.93, 4.86 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:3310    39 GLU  HA          3.50    (#   3310:20  Single Ambig)
 &rst
  ixpk= 3310, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570, 569, 570,
 &end
#
#  117 GLU  HG-         117 GLU  HA          4.50    (#   3311:20  Unique         2.40, 2.89 A)
 &rst
  ixpk= 3311, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1779,1780,
 &end
#
#  117 GLU  HG+         117 GLU  HA          3.50    (#   3314:20  Unique         2.40, 2.89 A)
 &rst
  ixpk= 3314, nxpk= 20, iat=  -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1779,1780,
 &end
#
#    6 LEU  MDX          39 GLU  HA          4.50    (#   3317:20  Unique         4.67, 6.65 A)
 &rst
  ixpk= 3317, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   49 TRP  HD1          49 TRP  HA          4.50    (#   3321:20  Unique         4.41, 4.46 A)
 &rst
  ixpk= 3321, nxpk= 20, iat= 742, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 TRP  HB+          49 TRP  HA          2.80    (#   3323:20  Unique         2.29, 2.40 A)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 738, 739,
 &end
#
#   49 TRP  HB-          49 TRP  HA          2.80    (#   3325:20  Unique         2.29, 2.40 A)
 &rst
  ixpk= 3325, nxpk= 20, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 738, 739,
 &end
#
#  113 TYR  HN          112 LYS  HA          5.50    (#   3326:20  Unique         3.39, 3.50 A)
 &rst
  ixpk= 3326, nxpk= 20, iat=1704,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  112 LYS  HD+         112 LYS  HA          4.50    (#   3327:20  Unique         2.09, 2.65 A)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1692,1693,
 &end
#
#  112 LYS  HG+         112 LYS  HA          2.80    (#   3328:20  Unique         2.89, 3.36 A)
 &rst
  ixpk= 3328, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1689,1690,
 &end
#
#  113 TYR  HN          112 LYS  HA          5.50    (#   3329:20  Unique         3.39, 3.50 A)
 &rst
  ixpk= 3329, nxpk= 20, iat=1704,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3330   112 LYS  HA          2.80    (#   3330:20  Single Ambig)
 &rst
  ixpk= 3330, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1692,1693,1686,1687,
 &end
#
#   49 TRP  HE3          49 TRP  HA          5.50    (#   3332:20  Unique         4.38, 4.41 A)
 &rst
  ixpk= 3332, nxpk= 20, iat= 753, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 ALA  MB          112 LYS  HA          4.50    (#   3333:20  Unique         4.20, 4.87 A)
 &rst
  ixpk= 3333, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1676,1677,1678,
 &end
#
#   50 ALA  HN           49 TRP  HA          4.50    (#   3334:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 3334, nxpk= 20, iat= 758, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 LYS  HB-         112 LYS  HA          2.80    (#   3336:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 3336, nxpk= 20, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1686,1687,
 &end
#
#  112 LYS  HN          112 LYS  HA          3.50    (#   3338:20  Unique         2.87, 2.90 A)
 &rst
  ixpk= 3338, nxpk= 20, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3339    93 TYR  HA          5.50    (#   3339:20  Single Ambig)
 &rst
  ixpk= 3339, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1395,1129,
 &end
#
#  100 ALA  HN           93 TYR  HA          5.50    (#   3342:20  Unique         3.55, 3.71 A)
 &rst
  ixpk= 3342, nxpk= 20, iat=1496,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HB-          93 TYR  HA          4.50    (#   3343:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 3343, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1399,1400,
 &end
#
#   94 SER  HN           93 TYR  HA          4.50    (#   3346:20  Unique         2.34, 2.40 A)
 &rst
  ixpk= 3346, nxpk= 20, iat=1416,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 TYR  HB+          93 TYR  HA          5.50    (#   3350:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 3350, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1399,1400,
 &end
#
#   67 GLN  HE2-         64 MET  HA          5.50    (#   3353:20  Unique         3.43, 4.01 A)
 &rst
  ixpk= 3353, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1031,1032,
 &end
#
#    0 AMB  20-2:3354    64 MET  HA          5.50    (#   3354:20  Single Ambig)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 997, 992, 993,
 &end
#
#   64 MET  HG-          64 MET  HA          3.50    (#   3355:20  Unique         3.09, 3.51 A)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#   67 GLN  HN           64 MET  HA          4.50    (#   3356:20  Unique         3.28, 3.32 A)
 &rst
  ixpk= 3356, nxpk= 20, iat=1019, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 GLN  HN           64 MET  HA          4.50    (#   3358:20  Unique         3.62, 3.64 A)
 &rst
  ixpk= 3358, nxpk= 20, iat= 980, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3359    64 MET  HA          3.50    (#   3359:20  Single Ambig)
 &rst
  ixpk= 3359, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 970, 971, 987, 988,
 &end
#
#   64 MET  HN           64 MET  HA          3.50    (#   3360:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 3360, nxpk= 20, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLN  HB2          64 MET  HA          3.50    (#   3361:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 3361, nxpk= 20, iat=1023, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3362    64 MET  HA          2.80    (#   3362:20  Single Ambig)
 &rst
  ixpk= 3362, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1026,1027,1047,1024,
 &end
#
#    0 AMB  20-2:3363     6 LEU  HA          5.50    (#   3363:20  Single Ambig)
 &rst
  ixpk= 3363, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 601, 602,  61,  62,1048,
 &end
#
#   64 MET  HB3          64 MET  HA          3.50    (#   3364:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 3364, nxpk= 20, iat= 968, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3366     6 LEU  HA          5.50    (#   3366:20  Single Ambig)
 &rst
  ixpk= 3366, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 595, 596, 107, 108, 109, 111, 112, 113,
 &end
#
#   52 TYR  HB+          52 TYR  HA          4.50    (#   3367:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 3367, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#   64 MET  ME           64 MET  HA          3.50    (#   3368:20  Unique         2.17, 3.23 A)
 &rst
  ixpk= 3368, nxpk= 20, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 974, 975, 976,
 &end
#
#   53 HIS  HN           52 TYR  HA          4.50    (#   3369:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 3369, nxpk= 20, iat= 804, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ALA  HN            6 LEU  HA          4.50    (#   3370:20  Unique         3.55, 3.57 A)
 &rst
  ixpk= 3370, nxpk= 20, iat=  88,  71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3371    40 SER  HA          5.50    (#   3371:20  Single Ambig)
 &rst
  ixpk= 3371, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 429, 394, 395,
 &end
#
#    9 ILE  QD1           6 LEU  HA          2.80    (#   3372:20  Unique         2.17, 3.11 A)
 &rst
  ixpk= 3372, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 130, 131, 132,
 &end
#
#   52 TYR  HD           52 TYR  HA          3.50    (#   3373:20  Unique         3.67, 4.15 A)
 &rst
  ixpk= 3373, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 800,
 &end
#
#   52 TYR  HB-          52 TYR  HA          3.50    (#   3375:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    0 AMB  20-2:3377     6 LEU  HA          3.50    (#   3377:20  Single Ambig)
 &rst
  ixpk= 3377, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  76, 102, 103,
 &end
#
#   64 MET  HB2          64 MET  HA          3.50    (#   3378:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 3378, nxpk= 20, iat= 967, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 HIS  HA           40 SER  HA          3.50    (#   3379:20  Unique         2.19, 2.27 A)
 &rst
  ixpk= 3379, nxpk= 20, iat= 426, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LEU  MDY           6 LEU  HA          2.80    (#   3381:20  Unique         2.19, 3.78 A)
 &rst
  ixpk= 3381, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  20-2:3382     6 LEU  HA          3.50    (#   3382:20  Single Ambig)
 &rst
  ixpk= 3382, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  73, 412,
 &end
#
#    0 AMB  20-2:3384     6 LEU  HA          3.50    (#   3384:20  Single Ambig)
 &rst
  ixpk= 3384, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 117,  98,
 &end
#
#    6 LEU  HN            6 LEU  HA          3.50    (#   3385:20  Unique         2.77, 2.79 A)
 &rst
  ixpk= 3385, nxpk= 20, iat=  69,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LEU  HB3           6 LEU  HA          2.80    (#   3386:20  Unique         2.50, 2.53 A)
 &rst
  ixpk= 3386, nxpk= 20, iat=  74,  71, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 SER  HN           40 SER  HA          4.50    (#   3388:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 3388, nxpk= 20, iat= 577, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 SER  HB3          40 SER  HA          3.50    (#   3389:20  Unique         2.34, 2.37 A)
 &rst
  ixpk= 3389, nxpk= 20, iat= 582, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LYS  HN           40 SER  HA          2.80    (#   3390:20  Unique         2.32, 2.34 A)
 &rst
  ixpk= 3390, nxpk= 20, iat= 588, 579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ILE  HG1+          6 LEU  HA          4.50    (#   3391:20  Unique         2.72, 3.60 A)
 &rst
  ixpk= 3391, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 127, 128,
 &end
#
#    0 AMB  20-2:3392     6 LEU  HA          4.50    (#   3392:20  Single Ambig)
 &rst
  ixpk= 3392, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 598, 599, 127, 128,
 &end
#
#   40 SER  HB2          40 SER  HA          3.50    (#   3393:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 3393, nxpk= 20, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 SER  HN           40 SER  HA          4.50    (#   3394:20  Unique         3.30, 3.39 A)
 &rst
  ixpk= 3394, nxpk= 20, iat= 441, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LEU  MDX          40 SER  HA          3.50    (#   3395:20  Unique         2.39, 3.88 A)
 &rst
  ixpk= 3395, nxpk= 20, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   62 GLY  HN           63 ASP  HA          5.50    (#   3396:20  Unique         5.34, 5.37 A)
 &rst
  ixpk= 3396, nxpk= 20, iat= 944, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3397     0 AMB  20-1:3397   3.50    (#   3397:20  Double Ambig)
 &rst
  ixpk= 3397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 200, 201, 595, 596, 391, 392, 414, 415, 416, 418,
       419, 420,
 igr2= 192, 579,
 &end
#
#    0 AMB  20-2:3399     0 AMB  20-1:3399   5.50    (#   3399:20  Double Ambig)
 &rst
  ixpk= 3399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 686, 687, 564, 443,
 igr2= 192, 579,
 &end
#
#   97 TYR  HB+          97 TYR  HA          4.50    (#   3401:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 3401, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#   14 ILE  HN           14 ILE  HA          4.50    (#   3403:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 3403, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 TYR  HD           97 TYR  HA          3.50    (#   3404:20  Unique         2.34, 3.58 A)
 &rst
  ixpk= 3404, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1462,1471,
 &end
#
#    0 AMB  20-2:3406     0 AMB  20-1:3406   2.80    (#   3406:20  Double Ambig)
 &rst
  ixpk= 3406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 196, 197, 198,  78,  79,  80,  82,  83,  84,
 igr2= 192, 579,
 &end
#
#   97 TYR  HB-          97 TYR  HA          4.50    (#   3407:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 3407, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#   14 ILE  HB           14 ILE  HA          3.50    (#   3408:20  Unique         2.47, 2.49 A)
 &rst
  ixpk= 3408, nxpk= 20, iat= 194, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3412     0 AMB  20-1:3412   5.50    (#   3412:20  Double Ambig)
 &rst
  ixpk= 3412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 200, 201,  76,1732,1733,
 igr2= 192, 579,
 &end
#
#   96 ALA  MB           97 TYR  HA          5.50    (#   3413:20  Unique         4.59, 5.16 A)
 &rst
  ixpk= 3413, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1448,1449,1450,
 &end
#
#   54 ALA  MB           55 ASP  HA          5.50    (#   3415:20  Unique         4.30, 4.89 A)
 &rst
  ixpk= 3415, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 825, 826, 827,
 &end
#
#   64 MET  HN           63 ASP  HA          4.50    (#   3416:20  Unique         3.58, 3.61 A)
 &rst
  ixpk= 3416, nxpk= 20, iat= 963, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3417    63 ASP  HA          3.50    (#   3417:20  Single Ambig)
 &rst
  ixpk= 3417, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1007,1008,1004,1005,
 &end
#
#   63 ASP  HB2          63 ASP  HA          2.80    (#   3418:20  Unique         2.45, 2.47 A)
 &rst
  ixpk= 3418, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 ASP  HB3          63 ASP  HA          3.50    (#   3419:20  Unique         3.02, 3.04 A)
 &rst
  ixpk= 3419, nxpk= 20, iat= 956, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HN           63 ASP  HA          3.50    (#   3420:20  Unique         2.87, 2.87 A)
 &rst
  ixpk= 3420, nxpk= 20, iat= 951, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 TYR  HN           97 TYR  HA          4.50    (#   3421:20  Unique         2.93, 2.97 A)
 &rst
  ixpk= 3421, nxpk= 20, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLY  HN           14 ILE  HA          4.50    (#   3422:20  Unique         2.69, 2.98 A)
 &rst
  ixpk= 3422, nxpk= 20, iat= 684, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LYS  HG-          63 ASP  HA          5.50    (#   3423:20  Unique         4.64, 4.92 A)
 &rst
  ixpk= 3423, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1004,1005,
 &end
#
#   66 LYS  HN           63 ASP  HA          4.50    (#   3426:20  Unique         3.05, 3.32 A)
 &rst
  ixpk= 3426, nxpk= 20, iat= 997, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LYS  HB+          63 ASP  HA          3.50    (#   3427:20  Unique         2.33, 2.93 A)
 &rst
  ixpk= 3427, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1001,1002,
 &end
#
#    0 AMB  20-2:3429    63 ASP  HA          5.50    (#   3429:20  Single Ambig)
 &rst
  ixpk= 3429, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 946, 947, 919,
 &end
#
#   58 ASP  HB+          55 ASP  HA          4.50    (#   3430:20  Unique         3.06, 3.65 A)
 &rst
  ixpk= 3430, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#   58 ASP  HN           55 ASP  HA          5.50    (#   3431:20  Unique         3.68, 3.72 A)
 &rst
  ixpk= 3431, nxpk= 20, iat= 883, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ILE  HB           21 LYS  HA          4.50    (#   3432:20  Unique         4.55, 4.62 A)
 &rst
  ixpk= 3432, nxpk= 20, iat=1171, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ARG  HG+          21 LYS  HA          5.50    (#   3433:20  Unique         2.54, 3.72 A)
 &rst
  ixpk= 3433, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#   58 ASP  HB-          55 ASP  HA          4.50    (#   3434:20  Unique         3.06, 3.65 A)
 &rst
  ixpk= 3434, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#   55 ASP  HB3          55 ASP  HA          3.50    (#   3435:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 3435, nxpk= 20, iat= 836, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3436    55 ASP  HA          3.50    (#   3436:20  Single Ambig)
 &rst
  ixpk= 3436, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 831, 843,
 &end
#
#   55 ASP  HB2          55 ASP  HA          2.80    (#   3437:20  Unique         2.54, 2.58 A)
 &rst
  ixpk= 3437, nxpk= 20, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 TYR  HN           21 LYS  HA          3.50    (#   3440:20  Unique         2.38, 2.42 A)
 &rst
  ixpk= 3440, nxpk= 20, iat= 309, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 LYS  HB3          21 LYS  HA          4.50    (#   3441:20  Unique         2.40, 2.45 A)
 &rst
  ixpk= 3441, nxpk= 20, iat= 292, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ARG  HD+          21 LYS  HA          4.50    (#   3442:20  Unique         4.48, 4.84 A)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1153,1154,
 &end
#
#   71 CYS  HB3          71 CYS  HA          3.50    (#   3445:20  Unique         2.40, 2.42 A)
 &rst
  ixpk= 3445, nxpk= 20, iat=1071,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ILE  QD1          11 ASP  HA          5.50    (#   3446:20  Unique         4.93, 5.76 A)
 &rst
  ixpk= 3446, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#   27 VAL  HA           71 CYS  HA          3.50    (#   3447:20  Unique         2.49, 2.60 A)
 &rst
  ixpk= 3447, nxpk= 20, iat= 410,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3448    21 LYS  HA          5.50    (#   3448:20  Single Ambig)
 &rst
  ixpk= 3448, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1153,1154, 300, 301,
 &end
#
#   71 CYS  HB2          71 CYS  HA          3.50    (#   3449:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 3449, nxpk= 20, iat=1070,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 GLU  HN           71 CYS  HA          2.80    (#   3452:20  Unique         2.40, 2.41 A)
 &rst
  ixpk= 3452, nxpk= 20, iat=1077,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 ASP  HB-          11 ASP  HA          2.80    (#   3453:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 154, 155,
 &end
#
#   78 ARG  HB+          21 LYS  HA          5.50    (#   3454:20  Unique         2.63, 3.87 A)
 &rst
  ixpk= 3454, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1147,1148,
 &end
#
#   11 ASP  HB+          11 ASP  HA          3.50    (#   3455:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 3455, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#   28 HIS  HD2          71 CYS  HA          4.50    (#   3456:20  Unique         3.47, 3.55 A)
 &rst
  ixpk= 3456, nxpk= 20, iat= 437,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 CYS  HN           71 CYS  HA          3.50    (#   3457:20  Unique         2.96, 2.96 A)
 &rst
  ixpk= 3457, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3458    11 ASP  HA          2.80    (#   3458:20  Single Ambig)
 &rst
  ixpk= 3458, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 631, 632, 633, 123, 124, 125,
 &end
#
#   12 VAL  HN           11 ASP  HA          4.50    (#   3459:20  Unique         3.56, 3.58 A)
 &rst
  ixpk= 3459, nxpk= 20, iat= 162, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3460    71 CYS  HA          3.50    (#   3460:20  Single Ambig)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 378, 379, 380, 414, 415, 416, 418, 419, 420, 391,
       392,
 &end
#
#    0 AMB  20-2:3461     0 AMB  20-1:3461   4.50    (#   3461:20  Double Ambig)
 &rst
  ixpk= 3461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1616,1617, 297, 298,
 igr2=1611, 770,
 &end
#
#   21 LYS  HB2          21 LYS  HA          5.50    (#   3462:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 3462, nxpk= 20, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN           11 ASP  HA          4.50    (#   3465:20  Unique         4.03, 4.29 A)
 &rst
  ixpk= 3465, nxpk= 20, iat= 644, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3466    11 ASP  HA          4.50    (#   3466:20  Single Ambig)
 &rst
  ixpk= 3466, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,1689,1690,
 &end
#
#   43 ILE  HA           11 ASP  HA          4.50    (#   3467:20  Unique         3.10, 3.46 A)
 &rst
  ixpk= 3467, nxpk= 20, iat= 627, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3469    51 GLU  HA          4.50    (#   3469:20  Single Ambig)
 &rst
  ixpk= 3469, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 760, 736, 289,
 &end
#
#  108 LYS  HN          108 LYS  HA          3.50    (#   3474:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 3474, nxpk= 20, iat=1609,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HB+         108 LYS  HA          5.50    (#   3475:20  Unique         4.42, 5.68 A)
 &rst
  ixpk= 3475, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1686,1687,
 &end
#
#   61 SER  HN           58 ASP  HA          5.50    (#   3476:20  Unique         3.91, 3.94 A)
 &rst
  ixpk= 3476, nxpk= 20, iat= 933, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3477     0 AMB  20-1:3477   2.80    (#   3477:20  Double Ambig)
 &rst
  ixpk= 3477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1616,1617,1619,1620,1614, 297, 298,
 igr2=1611, 770,
 &end
#
#    0 AMB  20-2:3478   108 LYS  HA          4.50    (#   3478:20  Single Ambig)
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 168, 169, 170, 172, 173, 174,1689,1690, 650, 651,
       652, 654, 655, 656,
 &end
#
#    0 AMB  20-2:3480   108 LYS  HA          2.80    (#   3480:20  Single Ambig)
 &rst
  ixpk= 3480, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1619,1620,1676,1677,1678,
 &end
#
#  111 ALA  HN          108 LYS  HA          4.50    (#   3481:20  Unique         3.29, 3.44 A)
 &rst
  ixpk= 3481, nxpk= 20, iat=1672,1611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 SER  HB+          58 ASP  HA          4.50    (#   3482:20  Unique         3.13, 4.01 A)
 &rst
  ixpk= 3482, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 937, 938,
 &end
#
#    0 AMB  20-2:3483     0 AMB  20-1:3483   4.50    (#   3483:20  Double Ambig)
 &rst
  ixpk= 3483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 783,1631,
 igr2= 770,1611,
 &end
#
#    0 AMB  20-2:3484     0 AMB  20-1:3484   2.80    (#   3484:20  Double Ambig)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 775, 776, 772, 773,1613,
 igr2= 770,1611,
 &end
#
#   58 ASP  HB+          58 ASP  HA          3.50    (#   3485:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:3486    58 ASP  HA          4.50    (#   3486:20  Single Ambig)
 &rst
  ixpk= 3486, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 937, 938, 867,
 &end
#
#   58 ASP  HB-          58 ASP  HA          2.80    (#   3487:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3487, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#  105 SER  HB2         102 HIS  HA          4.50    (#   3488:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 3488, nxpk= 20, iat=1573,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HN           58 ASP  HA          3.50    (#   3489:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 3489, nxpk= 20, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 VAL  MGX         102 HIS  HA          4.50    (#   3490:20  Unique         3.60, 5.28 A)
 &rst
  ixpk= 3490, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#  102 HIS  HB3         102 HIS  HA          3.50    (#   3492:20  Unique         2.42, 2.44 A)
 &rst
  ixpk= 3492, nxpk= 20, iat=1528,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 SER  HN          102 HIS  HA          3.50    (#   3493:20  Unique         2.79, 2.86 A)
 &rst
  ixpk= 3493, nxpk= 20, iat=1569,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3495   102 HIS  HA          5.50    (#   3495:20  Single Ambig)
 &rst
  ixpk= 3495, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1550,1496,
 &end
#
#   62 GLY  HN           58 ASP  HA          5.50    (#   3496:20  Unique         3.95, 4.03 A)
 &rst
  ixpk= 3496, nxpk= 20, iat= 944, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3497   102 HIS  HA          4.50    (#   3497:20  Single Ambig)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 355, 356, 357, 359, 360, 361,1500,1501,1502,1563,
      1564,1565,
 &end
#
#  102 HIS  HB2         102 HIS  HA          3.50    (#   3498:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 3498, nxpk= 20, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 SER  HB3         102 HIS  HA          5.50    (#   3499:20  Unique         3.93, 4.13 A)
 &rst
  ixpk= 3499, nxpk= 20, iat=1574,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 HIS  HN          102 HIS  HA          3.50    (#   3500:20  Unique         2.78, 2.79 A)
 &rst
  ixpk= 3500, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  HG1+          9 ILE  HA          3.50    (#   3501:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 3501, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#    9 ILE  QG2           9 ILE  HA          2.80    (#   3503:20  Unique         2.59, 3.24 A)
 &rst
  ixpk= 3503, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 123, 124, 125,
 &end
#
#   10 PRO  HD+           9 ILE  HA          2.80    (#   3504:20  Unique         2.12, 2.39 A)
 &rst
  ixpk= 3504, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 137, 138,
 &end
#
#    9 ILE  HG1-          9 ILE  HA          3.50    (#   3505:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 3505, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#   10 PRO  HD-           9 ILE  HA          2.80    (#   3506:20  Unique         2.12, 2.39 A)
 &rst
  ixpk= 3506, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 137, 138,
 &end
#
#    9 ILE  HN            9 ILE  HA          3.50    (#   3508:20  Unique         2.80, 2.84 A)
 &rst
  ixpk= 3508, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3509   102 HIS  HA          5.50    (#   3509:20  Single Ambig)
 &rst
  ixpk= 3509, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1821,1822,1821,1822,1542,
 &end
#
#    0 AMB  20-2:3510    58 ASP  HA          3.50    (#   3510:20  Single Ambig)
 &rst
  ixpk= 3510, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 895, 870, 879,
 &end
#
#    0 AMB  20-2:3511     9 ILE  HA          5.50    (#   3511:20  Single Ambig)
 &rst
  ixpk= 3511, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 466, 467, 466, 467,
 &end
#
#    8 LEU  HB-           9 ILE  HA          5.50    (#   3513:20  Unique         4.18, 4.51 A)
 &rst
  ixpk= 3513, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 102, 103,
 &end
#
#    0 AMB  20-2:3514    51 GLU  HA          2.80    (#   3514:20  Single Ambig)
 &rst
  ixpk= 3514, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 775, 776, 772, 773,
 &end
#
#   29 SER  HB+          29 SER  HA          3.50    (#   3515:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 3515, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#    6 LEU  MDY          29 SER  HA          4.50    (#   3516:20  Unique         2.32, 3.63 A)
 &rst
  ixpk= 3516, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   29 SER  HB-          29 SER  HA          3.50    (#   3517:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 3517, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#    9 ILE  HB            9 ILE  HA          3.50    (#   3519:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 3519, nxpk= 20, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LEU  HB3          29 SER  HA          5.50    (#   3522:20  Unique         5.24, 5.34 A)
 &rst
  ixpk= 3522, nxpk= 20, iat=  74, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3524    29 SER  HA          3.50    (#   3524:20  Single Ambig)
 &rst
  ixpk= 3524, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 441,  69,
 &end
#
#   30 ALA  HN           29 SER  HA          2.80    (#   3525:20  Unique         2.34, 2.59 A)
 &rst
  ixpk= 3525, nxpk= 20, iat= 452, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 LEU  HN           73 CYS  HA          2.80    (#   3528:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 3528, nxpk= 20, iat=1103,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3529    73 CYS  HA          5.50    (#   3529:20  Single Ambig)
 &rst
  ixpk= 3529, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1105, 332,
 &end
#
#   75 GLY  HN           73 CYS  HA          5.50    (#   3531:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 3531, nxpk= 20, iat=1122,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3532    73 CYS  HA          3.50    (#   3532:20  Single Ambig)
 &rst
  ixpk= 3532, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 378, 379, 380,
 &end
#
#   26 ARG  HN           73 CYS  HA          4.50    (#   3535:20  Unique         3.38, 3.48 A)
 &rst
  ixpk= 3535, nxpk= 20, iat= 384,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 TYR  HE           73 CYS  HA          5.50    (#   3536:20  Unique         3.94, 5.56 A)
 &rst
  ixpk= 3536, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#   73 CYS  HB-          73 CYS  HA          4.50    (#   3538:20  Unique         2.34, 2.46 A)
 &rst
  ixpk= 3538, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:3539     0 AMB  20-1:3539   5.50    (#   3539:20  Double Ambig)
 &rst
  ixpk= 3539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1214,1077,
 igr2=1216,1094,
 &end
#
#   57 TYR  HE           73 CYS  HA          5.50    (#   3540:20  Unique         3.94, 5.56 A)
 &rst
  ixpk= 3540, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#    0 AMB  20-2:3541     0 AMB  20-1:3541   4.50    (#   3541:20  Double Ambig)
 &rst
  ixpk= 3541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1214,1077,
 igr2=1216,1094,
 &end
#
#    0 AMB  20-2:3542     0 AMB  20-1:3542   2.80    (#   3542:20  Double Ambig)
 &rst
  ixpk= 3542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1096,1097,1218,1219,1218,1219,
 igr2=1094,1216,
 &end
#
#   67 GLN  HN           66 LYS  HA          4.50    (#   3544:20  Unique         3.63, 3.65 A)
 &rst
  ixpk= 3544, nxpk= 20, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLN  HG+          82 GLN  HA          4.50    (#   3545:20  Unique         2.37, 3.10 A)
 &rst
  ixpk= 3545, nxpk= 20, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,
 &end
#
#    0 AMB  20-2:3546    43 ILE  HA          5.50    (#   3546:20  Single Ambig)
 &rst
  ixpk= 3546, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 635, 636, 353,
 &end
#
#    0 AMB  20-2:3547    66 LYS  HA          5.50    (#   3547:20  Single Ambig)
 &rst
  ixpk= 3547, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,1024,1047,
 &end
#
#   68 GLY  HN           66 LYS  HA          5.50    (#   3548:20  Unique         3.73, 4.07 A)
 &rst
  ixpk= 3548, nxpk= 20, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3549    66 LYS  HA          2.80    (#   3549:20  Single Ambig)
 &rst
  ixpk= 3549, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1004,1005,1007,1008,
 &end
#
#   75 GLY  HN           73 CYS  HA          4.50    (#   3550:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 3550, nxpk= 20, iat=1122,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LYS  HN           66 LYS  HA          3.50    (#   3552:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 3552, nxpk= 20, iat= 997, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LYS  HB+          66 LYS  HA          2.80    (#   3553:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 3553, nxpk= 20, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1001,1002,
 &end
#
#   43 ILE  QD1          43 ILE  HA          5.50    (#   3554:20  Unique         4.85, 5.14 A)
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#   33 SER  HB+          33 SER  HA          3.50    (#   3555:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 3555, nxpk= 20, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 504, 505,
 &end
#
#    0 AMB  20-2:3556    43 ILE  HA          5.50    (#   3556:20  Single Ambig)
 &rst
  ixpk= 3556, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
       173, 174,
 &end
#
#   44 VAL  HN           43 ILE  HA          2.80    (#   3557:20  Unique         2.24, 2.28 A)
 &rst
  ixpk= 3557, nxpk= 20, iat= 644, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   43 ILE  QG2          43 ILE  HA          2.80    (#   3558:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 3558, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 631, 632, 633,
 &end
#
#    0 AMB  20-2:3559    43 ILE  HA          2.80    (#   3559:20  Single Ambig)
 &rst
  ixpk= 3559, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 629, 648,
 &end
#
#    0 AMB  20-2:3561    43 ILE  HA          5.50    (#   3561:20  Single Ambig)
 &rst
  ixpk= 3561, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1619,1620,1616,1617,1614, 667, 668, 375, 376,
 &end
#
#   43 ILE  HN           43 ILE  HA          4.50    (#   3562:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 3562, nxpk= 20, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ASP  HA           43 ILE  HA          4.50    (#   3563:20  Unique         3.10, 3.46 A)
 &rst
  ixpk= 3563, nxpk= 20, iat= 152, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HB-         110 LYS  HA          3.50    (#   3565:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 3565, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#    0 AMB  20-2:3566    23 VAL  HA          5.50    (#   3566:20  Single Ambig)
 &rst
  ixpk= 3566, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:3571    43 ILE  HA          5.50    (#   3571:20  Single Ambig)
 &rst
  ixpk= 3571, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636, 595, 596,
 &end
#
#  118 VAL  MGY         110 LYS  HA          3.50    (#   3572:20  Unique         3.55, 5.49 A)
 &rst
  ixpk= 3572, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   60 VAL  HB           59 LYS  HA          7.00    (#   3573:20  Unique         5.89, 5.92 A)
 &rst
  ixpk= 3573, nxpk= 20, iat= 921, 897, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   65 GLN  HE2-         65 GLN  HA          5.50    (#   3574:20  Unique         4.46, 5.25 A)
 &rst
  ixpk= 3574, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 992, 993,
 &end
#
#   76 GLY  HA-          23 VAL  HA          4.50    (#   3576:20  Unique         2.18, 2.44 A)
 &rst
  ixpk= 3576, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#   77 GLY  HN           23 VAL  HA          4.50    (#   3578:20  Unique         3.33, 3.44 A)
 &rst
  ixpk= 3578, nxpk= 20, iat=1136, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HG-         110 LYS  HA          4.50    (#   3579:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 3579, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1657,1658,
 &end
#
#   67 GLN  HN           65 GLN  HA          5.50    (#   3582:20  Unique         4.29, 4.33 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=1019, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  110 LYS  HN          110 LYS  HA          4.50    (#   3583:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 3583, nxpk= 20, iat=1650,1652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 MET  HB-          95 MET  HA          3.50    (#   3586:20  Unique         2.40, 2.71 A)
 &rst
  ixpk= 3586, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1431,1432,
 &end
#
#   95 MET  HG-          95 MET  HA          4.50    (#   3588:20  Unique         3.06, 3.55 A)
 &rst
  ixpk= 3588, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1434,1435,
 &end
#
#  110 LYS  HB+         110 LYS  HA          3.50    (#   3589:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 3589, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#    0 AMB  20-2:3590    23 VAL  HA          2.80    (#   3590:20  Single Ambig)
 &rst
  ixpk= 3590, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#   23 VAL  HN           23 VAL  HA          5.50    (#   3592:20  Unique         2.89, 2.90 A)
 &rst
  ixpk= 3592, nxpk= 20, iat= 330, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 GLN  HB3          65 GLN  HA          2.80    (#   3594:20  Unique         2.58, 2.59 A)
 &rst
  ixpk= 3594, nxpk= 20, iat= 985, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LYS  HN           65 GLN  HA          4.50    (#   3595:20  Unique         3.59, 3.60 A)
 &rst
  ixpk= 3595, nxpk= 20, iat= 997, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 GLN  HG+          65 GLN  HA          4.50    (#   3596:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 3596, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#    0 AMB  20-2:3597   110 LYS  HA          3.50    (#   3597:20  Single Ambig)
 &rst
  ixpk= 3597, nxpk= 20, iat=  -1,1652, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,1660,1661,
 &end
#
#   24 LEU  HN           23 VAL  HA          2.80    (#   3598:20  Unique         2.32, 2.35 A)
 &rst
  ixpk= 3598, nxpk= 20, iat= 346, 332, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3599     0 AMB  20-1:3599   3.50    (#   3599:20  Double Ambig)
 &rst
  ixpk= 3599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1431,1432, 987, 988,
 igr2=1429, 982,
 &end
#
#   23 VAL  HB           23 VAL  HA          3.50    (#   3600:20  Unique         2.53, 2.55 A)
 &rst
  ixpk= 3600, nxpk= 20, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3601    65 GLN  HA          5.50    (#   3601:20  Single Ambig)
 &rst
  ixpk= 3601, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967,1023,
 &end
#
#   69 CYS  HN           65 GLN  HA          2.80    (#   3602:20  Unique         2.82, 2.85 A)
 &rst
  ixpk= 3602, nxpk= 20, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 GLN  HG-          65 GLN  HA          3.50    (#   3603:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 3603, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#   76 GLY  HA+          23 VAL  HA          3.50    (#   3604:20  Unique         2.18, 2.44 A)
 &rst
  ixpk= 3604, nxpk= 20, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#   65 GLN  HN           65 GLN  HA          2.80    (#   3605:20  Unique         2.85, 2.85 A)
 &rst
  ixpk= 3605, nxpk= 20, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3606    43 ILE  HA          5.50    (#   3606:20  Single Ambig)
 &rst
  ixpk= 3606, nxpk= 20, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1616,1617, 667, 668,
 &end
#
#   62 GLY  HN           59 LYS  HA          4.50    (#   3608:20  Unique         3.59, 3.64 A)
 &rst
  ixpk= 3608, nxpk= 20, iat= 944, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 LYS  HG+          59 LYS  HA          2.80    (#   3609:20  Unique         2.52, 3.10 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 902, 903,
 &end
#
#  110 LYS  HN          110 LYS  HA          5.50    (#   3611:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 3611, nxpk= 20, iat=1650,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 TYR  HN          110 LYS  HA          5.50    (#   3612:20  Unique         3.28, 3.63 A)
 &rst
  ixpk= 3612, nxpk= 20, iat=1704,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 SER  HB+          83 SER  HA          2.80    (#   3613:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 3613, nxpk= 20, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1235,1236,
 &end
#
#   59 LYS  HB+          59 LYS  HA          2.80    (#   3615:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3615, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#   90 VAL  MGY          79 ILE  HA          5.50    (#   3618:20  Unique         3.32, 4.55 A)
 &rst
  ixpk= 3618, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   60 VAL  HN           59 LYS  HA          4.50    (#   3619:20  Unique         3.59, 3.60 A)
 &rst
  ixpk= 3619, nxpk= 20, iat= 917, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3620    59 LYS  HA          5.50    (#   3620:20  Single Ambig)
 &rst
  ixpk= 3620, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 946, 947, 919, 845,
 &end
#
#   59 LYS  HN           59 LYS  HA          3.50    (#   3621:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 3621, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HD+          59 LYS  HA          3.50    (#   3622:20  Unique         3.66, 4.08 A)
 &rst
  ixpk= 3622, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 905, 906,
 &end
#
#   79 ILE  HG1-         79 ILE  HA          4.50    (#   3624:20  Unique         2.62, 2.73 A)
 &rst
  ixpk= 3624, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1177,1178,
 &end
#
#   58 ASP  HB-          59 LYS  HA          5.50    (#   3625:20  Unique         4.34, 5.00 A)
 &rst
  ixpk= 3625, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 887, 888,
 &end
#
#   80 SER  HN           79 ILE  HA          2.80    (#   3626:20  Unique         2.20, 2.26 A)
 &rst
  ixpk= 3626, nxpk= 20, iat=1186,1169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3627    79 ILE  HA          2.80    (#   3627:20  Single Ambig)
 &rst
  ixpk= 3627, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1173,1174,1175,1177,1178,
 &end
#
#    0 AMB  20-2:3628    79 ILE  HA          4.50    (#   3628:20  Single Ambig)
 &rst
  ixpk= 3628, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1171,1357,1358,1359,1361,1362,1363,1321,1322,1323,
      
 &end
#
#   79 ILE  HN           79 ILE  HA          4.50    (#   3629:20  Unique         2.96, 2.97 A)
 &rst
  ixpk= 3629, nxpk= 20, iat=1167,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ILE  QD1          79 ILE  HA          4.50    (#   3632:20  Unique         4.61, 4.71 A)
 &rst
  ixpk= 3632, nxpk= 20, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1180,1181,1182,
 &end
#
#    0 AMB  20-2:3639   107 GLU  HA          3.50    (#   3639:20  Single Ambig)
 &rst
  ixpk= 3639, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1654,1655,1660,1661,
 &end
#
#  107 GLU  HB+         107 GLU  HA          2.80    (#   3640:20  Unique         2.55, 2.81 A)
 &rst
  ixpk= 3640, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1598,1599,
 &end
#
#    0 AMB  20-2:3642   107 GLU  HA          3.50    (#   3642:20  Single Ambig)
 &rst
  ixpk= 3642, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1660,1661,1657,1658,1616,1617,
 &end
#
#  107 GLU  HG+         107 GLU  HA          3.50    (#   3643:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 3643, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#  110 LYS  HB-         107 GLU  HA          3.50    (#   3644:20  Unique         2.73, 3.86 A)
 &rst
  ixpk= 3644, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#  107 GLU  HN          107 GLU  HA          3.50    (#   3645:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 3645, nxpk= 20, iat=1594,1596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 LYS  HN          107 GLU  HA          4.50    (#   3646:20  Unique         3.61, 3.80 A)
 &rst
  ixpk= 3646, nxpk= 20, iat=1650,1596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 GLU  HG-         107 GLU  HA          3.50    (#   3647:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 3647, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#    0 AMB  20-2:3648   107 GLU  HA          5.50    (#   3648:20  Single Ambig)
 &rst
  ixpk= 3648, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1657,1658,1676,1677,1678,
 &end
#
#  106 THR  MG2         107 GLU  HA          5.50    (#   3649:20  Unique         6.00, 6.46 A)
 &rst
  ixpk= 3649, nxpk= 20, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    0 AMB  20-2:3650    88 ILE  HA          4.50    (#   3650:20  Single Ambig)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1173,1174,1175,1177,1178,
 &end
#
#   88 ILE  QG2          88 ILE  HA          3.50    (#   3653:20  Unique         2.40, 3.17 A)
 &rst
  ixpk= 3653, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1321,1322,1323,
 &end
#
#    0 AMB  20-2:3654    88 ILE  HA          5.50    (#   3654:20  Single Ambig)
 &rst
  ixpk= 3654, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1214,1186,
 &end
#
#   87 LYS  HB-          88 ILE  HA          5.50    (#   3656:20  Unique         4.29, 5.27 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1297,1298,
 &end
#
#   44 VAL  MGX         105 SER  HA          5.50    (#   3658:20  Unique         2.16, 3.37 A)
 &rst
  ixpk= 3658, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  105 SER  HN          105 SER  HA          3.50    (#   3659:20  Unique         2.75, 2.76 A)
 &rst
  ixpk= 3659, nxpk= 20, iat=1569,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 SER  HB3         105 SER  HA          3.50    (#   3661:20  Unique         2.39, 2.41 A)
 &rst
  ixpk= 3661, nxpk= 20, iat=1574,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 SER  HB2         105 SER  HA          3.50    (#   3662:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 3662, nxpk= 20, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  MGY         105 SER  HA          3.50    (#   3663:20  Unique         2.16, 3.37 A)
 &rst
  ixpk= 3663, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  108 LYS  HB2         105 SER  HA          5.50    (#   3664:20  Unique         2.59, 2.99 A)
 &rst
  ixpk= 3664, nxpk= 20, iat=1613,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 THR  HN          105 SER  HA          4.50    (#   3666:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 3666, nxpk= 20, iat=1580,1571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3667   105 SER  HA          5.50    (#   3667:20  Single Ambig)
 &rst
  ixpk= 3667, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1609,1550,
 &end
#
#    0 AMB  20-2:3668   105 SER  HA          4.50    (#   3668:20  Single Ambig)
 &rst
  ixpk= 3668, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1619,1620,1614,1616,1617,1635,
 &end
#
#    0 AMB  20-2:3669   105 SER  HA          4.50    (#   3669:20  Single Ambig)
 &rst
  ixpk= 3669, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,1637,
      1638,1639,
 &end
#
#    0 AMB  20-2:3670   105 SER  HA          4.50    (#   3670:20  Single Ambig)
 &rst
  ixpk= 3670, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 355, 356, 357, 359, 360, 361,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   19 VAL  HN           19 VAL  HA          5.50    (#   3671:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 3671, nxpk= 20, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 VAL  HB           19 VAL  HA          4.50    (#   3673:20  Unique         3.04, 3.06 A)
 &rst
  ixpk= 3673, nxpk= 20, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 VAL  HN           19 VAL  HA          5.50    (#   3674:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 3674, nxpk= 20, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 VAL  MG1          19 VAL  HA          3.50    (#   3676:20  Unique         2.51, 3.15 A)
 &rst
  ixpk= 3676, nxpk= 20, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 257, 258, 259,
 &end
#
#   19 VAL  MG2          19 VAL  HA          3.50    (#   3677:20  Unique         2.57, 3.24 A)
 &rst
  ixpk= 3677, nxpk= 20, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 261, 262, 263,
 &end
#
#   20 PHE  HN           19 VAL  HA          2.80    (#   3678:20  Unique         2.24, 2.25 A)
 &rst
  ixpk= 3678, nxpk= 20, iat= 267, 253, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  HN          118 VAL  HA          5.50    (#   3683:20  Unique         2.43, 2.97 A)
 &rst
  ixpk= 3683, nxpk= 20, iat=1315,1789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3684   118 VAL  HA          5.50    (#   3684:20  Single Ambig)
 &rst
  ixpk= 3684, nxpk= 20, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#  118 VAL  HB          118 VAL  HA          4.50    (#   3685:20  Unique         2.46, 2.58 A)
 &rst
  ixpk= 3685, nxpk= 20, iat=1791,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3686   118 VAL  HA          2.80    (#   3686:20  Single Ambig)
 &rst
  ixpk= 3686, nxpk= 20, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  119 THR  HN          118 VAL  HA          2.80    (#   3687:20  Unique         2.32, 2.40 A)
 &rst
  ixpk= 3687, nxpk= 20, iat=1803,1789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3688   118 VAL  HA          5.50    (#   3688:20  Single Ambig)
 &rst
  ixpk= 3688, nxpk= 20, iat=  -1,1789, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#  125 TYR  HN          125 TYR  HA          4.50    (#   3689:20  Unique         2.86, 2.90 A)
 &rst
  ixpk= 3689, nxpk= 20, iat=1884,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 TYR  HB-         125 TYR  HA          4.50    (#   3690:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 3690, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1888,1889,
 &end
#
#  125 TYR  HD          125 TYR  HA          4.50    (#   3692:20  Unique         2.72, 3.83 A)
 &rst
  ixpk= 3692, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1892,1901,
 &end
#
#  118 VAL  HN          118 VAL  HA          3.50    (#   3693:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 3693, nxpk= 20, iat=1787,1789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  125 TYR  HB+         125 TYR  HA          3.50    (#   3695:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 3695, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1888,1889,
 &end
#
#   93 TYR  HN          125 TYR  HA          4.50    (#   3696:20  Unique         3.02, 3.78 A)
 &rst
  ixpk= 3696, nxpk= 20, iat=1395,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HE           12 VAL  HA          4.50    (#   3698:20  Unique         2.78, 3.17 A)
 &rst
  ixpk= 3698, nxpk= 20, iat= 673, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 TYR  HD          125 TYR  HA          4.50    (#   3699:20  Unique         2.72, 3.83 A)
 &rst
  ixpk= 3699, nxpk= 20, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1892,1901,
 &end
#
#   13 ASP  HN           12 VAL  HA          2.80    (#   3701:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 3701, nxpk= 20, iat= 178, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3702    12 VAL  HA          2.80    (#   3702:20  Single Ambig)
 &rst
  ixpk= 3702, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656, 196, 197, 198,
 &end
#
#   44 VAL  MGY          12 VAL  HA          4.50    (#   3704:20  Unique         3.76, 4.92 A)
 &rst
  ixpk= 3704, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  20-2:3705    12 VAL  HA          2.80    (#   3705:20  Single Ambig)
 &rst
  ixpk= 3705, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 648, 629,
 &end
#
#   12 VAL  MGY          12 VAL  HA          2.80    (#   3706:20  Unique         2.54, 3.19 A)
 &rst
  ixpk= 3706, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  20-2:3708     0 AMB  20-1:3708   3.50    (#   3708:20  Double Ambig)
 &rst
  ixpk= 3708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 162,1351,
 igr2= 164,1353,
 &end
#
#    0 AMB  20-2:3710     0 AMB  20-1:3710   3.50    (#   3710:20  Double Ambig)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 644,1186,
 igr2= 164,1353,
 &end
#
#   91 TYR  HD           90 VAL  HA          4.50    (#   3712:20  Unique         2.78, 4.93 A)
 &rst
  ixpk= 3712, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1375,1384,
 &end
#
#  105 SER  HN          105 SER  HB2         4.50    (#   3713:20  Unique         2.48, 2.59 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=1569,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 VAL  HN           90 VAL  HA          4.50    (#   3714:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 3714, nxpk= 20, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3715     0 AMB  20-1:3715   3.50    (#   3715:20  Double Ambig)
 &rst
  ixpk= 3715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1357,1358,1359,1361,1362,1363, 196, 197, 198,
 igr2=1353, 164,
 &end
#
#  105 SER  HN          105 SER  HB3         5.50    (#   3716:20  Unique         3.45, 3.50 A)
 &rst
  ixpk= 3716, nxpk= 20, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 SER  HA          105 SER  HB2         3.50    (#   3717:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 3717, nxpk= 20, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  MGX         105 SER  HB3         5.50    (#   3718:20  Unique         2.95, 4.02 A)
 &rst
  ixpk= 3718, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   44 VAL  MGY         105 SER  HB2         4.50    (#   3719:20  Unique         4.55, 5.32 A)
 &rst
  ixpk= 3719, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  105 SER  HA          105 SER  HB3         3.50    (#   3720:20  Unique         2.39, 2.41 A)
 &rst
  ixpk= 3720, nxpk= 20, iat=1571,1574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 THR  HN          105 SER  HB2         4.50    (#   3721:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 3721, nxpk= 20, iat=1580,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3722   105 SER  HB3         4.50    (#   3722:20  Single Ambig)
 &rst
  ixpk= 3722, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1357,1358,1359,1361,1362,1363,1641,1642,
 &end
#
#   44 VAL  MGY         105 SER  HB2         5.50    (#   3724:20  Unique         4.55, 5.32 A)
 &rst
  ixpk= 3724, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   44 VAL  MGX         105 SER  HB3         5.50    (#   3725:20  Unique         2.95, 4.02 A)
 &rst
  ixpk= 3725, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   91 TYR  HN           90 VAL  HA          2.80    (#   3726:20  Unique         2.23, 2.25 A)
 &rst
  ixpk= 3726, nxpk= 20, iat=1367,1353, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3727    90 VAL  HA          4.50    (#   3727:20  Single Ambig)
 &rst
  ixpk= 3727, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1177,1178,1173,1174,1175,
 &end
#
#   44 VAL  MGY         105 SER  HB3         4.50    (#   3728:20  Unique         2.95, 4.02 A)
 &rst
  ixpk= 3728, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  102 HIS  HA          105 SER  HB2         4.50    (#   3730:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 3730, nxpk= 20, iat=1525,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 VAL  MGX         105 SER  HB2         5.50    (#   3731:20  Unique         2.79, 4.05 A)
 &rst
  ixpk= 3731, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   90 VAL  MGX         105 SER  HB2         5.50    (#   3735:20  Unique         2.79, 4.05 A)
 &rst
  ixpk= 3735, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:3737   105 SER  HB3         5.50    (#   3737:20  Single Ambig)
 &rst
  ixpk= 3737, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  106 THR  HN          105 SER  HB3         4.50    (#   3738:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 3738, nxpk= 20, iat=1580,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 VAL  MGY          90 VAL  HA          3.50    (#   3739:20  Unique         2.43, 3.18 A)
 &rst
  ixpk= 3739, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#  109 ILE  QD1         105 SER  HB3         4.50    (#   3740:20  Unique         2.53, 3.35 A)
 &rst
  ixpk= 3740, nxpk= 20, iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#  102 HIS  HA          105 SER  HB3         4.50    (#   3741:20  Unique         3.93, 4.13 A)
 &rst
  ixpk= 3741, nxpk= 20, iat=1525,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 HIS  HD2         105 SER  HB3         5.50    (#   3742:20  Unique         4.56, 4.64 A)
 &rst
  ixpk= 3742, nxpk= 20, iat=1536,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3743   105 SER  HB2         5.50    (#   3743:20  Single Ambig)
 &rst
  ixpk= 3743, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1556,1557,1558,1500,1501,1502,1637,1638,1639,
 &end
#
#    0 AMB  20-2:3747    61 SER  HA          5.50    (#   3747:20  Single Ambig)
 &rst
  ixpk= 3747, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 970, 971, 987, 988,
 &end
#
#    0 AMB  20-2:3749     0 AMB  20-1:3749   4.50    (#   3749:20  Double Ambig)
 &rst
  ixpk= 3749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 963, 511,
 igr2= 935,  33,
 &end
#
#    0 AMB  20-2:3752     3 VAL  HA          4.50    (#   3752:20  Single Ambig)
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,  25,  26,  27,
 &end
#
#    2 ALA  HA            3 VAL  HA          5.50    (#   3754:20  Unique         4.34, 4.47 A)
 &rst
  ixpk= 3754, nxpk= 20, iat=  23,  33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3756     3 VAL  HA          2.80    (#   3756:20  Single Ambig)
 &rst
  ixpk= 3756, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#    4 ALA  HN            3 VAL  HA          2.80    (#   3757:20  Unique         2.18, 2.27 A)
 &rst
  ixpk= 3757, nxpk= 20, iat=  47,  33, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 VAL  HB            3 VAL  HA          3.50    (#   3758:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 3758, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HB2          61 SER  HA          3.50    (#   3759:20  Unique         2.28, 2.38 A)
 &rst
  ixpk= 3759, nxpk= 20, iat= 967, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3760    61 SER  HA          5.50    (#   3760:20  Single Ambig)
 &rst
  ixpk= 3760, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 970, 971, 987, 988,
 &end
#
#    3 VAL  HN            3 VAL  HA          4.50    (#   3761:20  Unique         2.85, 2.90 A)
 &rst
  ixpk= 3761, nxpk= 20, iat=  31,  33, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 SER  HN           61 SER  HA          3.50    (#   3763:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 3763, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3766    61 SER  HA          5.50    (#   3766:20  Single Ambig)
 &rst
  ixpk= 3766, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070, 956,
 &end
#
#   61 SER  HB+          61 SER  HA          3.50    (#   3769:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 3769, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#    0 AMB  20-2:3772    61 SER  HB-         3.50    (#   3772:20  Single Ambig)
 &rst
  ixpk= 3772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 885,
 igr2= 937, 938,
 &end
#
#    0 AMB  20-2:3773     0 AMB  20-1:3773   2.80    (#   3773:20  Double Ambig)
 &rst
  ixpk= 3773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 935, 885,
 igr2= 937, 938, 937, 938,
 &end
#
#   62 GLY  HN           61 SER  HB+         5.50    (#   3774:20  Unique         2.81, 3.49 A)
 &rst
  ixpk= 3774, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   62 GLY  HN           61 SER  HB-         5.50    (#   3776:20  Unique         2.81, 3.49 A)
 &rst
  ixpk= 3776, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   61 SER  HN           61 SER  HB-         3.50    (#   3778:20  Unique         2.62, 3.12 A)
 &rst
  ixpk= 3778, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   61 SER  HN           61 SER  HB+         4.50    (#   3779:20  Unique         2.62, 3.12 A)
 &rst
  ixpk= 3779, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   71 CYS  HB2          61 SER  HB-         5.50    (#   3781:20  Unique         2.47, 3.52 A)
 &rst
  ixpk= 3781, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   71 CYS  HB2          61 SER  HB+         5.50    (#   3783:20  Unique         2.47, 3.52 A)
 &rst
  ixpk= 3783, nxpk= 20, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#  100 ALA  HN           99 PRO  HA          3.50    (#   3785:20  Unique         2.15, 2.17 A)
 &rst
  ixpk= 3785, nxpk= 20, iat=1496,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 PRO  HB+          99 PRO  HA          3.50    (#   3787:20  Unique         2.30, 2.53 A)
 &rst
  ixpk= 3787, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1489,1490,
 &end
#
#   99 PRO  HB-          99 PRO  HA          4.50    (#   3790:20  Unique         2.30, 2.53 A)
 &rst
  ixpk= 3790, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1489,1490,
 &end
#
#    0 AMB  20-2:3791    99 PRO  HA          4.50    (#   3791:20  Single Ambig)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1399,1400,1420,1421,
 &end
#
#  100 ALA  MB           99 PRO  HA          5.50    (#   3792:20  Unique         4.38, 4.94 A)
 &rst
  ixpk= 3792, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1500,1501,1502,
 &end
#
#   93 TYR  HA           99 PRO  HA          3.50    (#   3794:20  Unique         2.08, 2.17 A)
 &rst
  ixpk= 3794, nxpk= 20, iat=1397,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3795    99 PRO  HA          4.50    (#   3795:20  Single Ambig)
 &rst
  ixpk= 3795, nxpk= 20, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1129,1395,
 &end
#
#    0 AMB  20-2:3800   114 PRO  HA          5.50    (#   3800:20  Single Ambig)
 &rst
  ixpk= 3800, nxpk= 20, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1726,1727,1684,
 &end
#
#    0 AMB  20-2:3803     0 AMB  20-1:3803   4.50    (#   3803:20  Double Ambig)
 &rst
  ixpk= 3803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1216,1094, 897,
 igr2=1235,1236, 864,
 &end
#
#  114 PRO  HB+         114 PRO  HA          2.80    (#   3804:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 3804, nxpk= 20, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1732,1733,
 &end
#
#  114 PRO  HB-         114 PRO  HA          3.50    (#   3805:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 3805, nxpk= 20, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1732,1733,
 &end
#
#  114 PRO  HD+         114 PRO  HA          5.50    (#   3806:20  Unique         3.53, 3.80 A)
 &rst
  ixpk= 3806, nxpk= 20, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1726,1727,
 &end
#
#   83 SER  HA           83 SER  HB+         2.80    (#   3807:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 3807, nxpk= 20, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1235,1236,
 &end
#
#   57 TYR  HE           57 TYR  HA          5.50    (#   3810:20  Unique         4.57, 5.37 A)
 &rst
  ixpk= 3810, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 877,
 &end
#
#   32 ARG  HN           31 PRO  HA          3.50    (#   3812:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 3812, nxpk= 20, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HB           57 TYR  HA          3.50    (#   3813:20  Unique         3.18, 3.30 A)
 &rst
  ixpk= 3813, nxpk= 20, iat= 921, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3814    57 TYR  HA          3.50    (#   3814:20  Single Ambig)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 867, 937, 938,
 &end
#
#   57 TYR  HB2          57 TYR  HA          3.50    (#   3816:20  Unique         2.41, 2.42 A)
 &rst
  ixpk= 3816, nxpk= 20, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           57 TYR  HA          5.50    (#   3817:20  Unique         3.92, 3.93 A)
 &rst
  ixpk= 3817, nxpk= 20, iat= 917, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 SER  HN           57 TYR  HA          4.50    (#   3818:20  Unique         3.66, 3.68 A)
 &rst
  ixpk= 3818, nxpk= 20, iat= 933, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 TYR  HD           57 TYR  HA          3.50    (#   3819:20  Unique         2.29, 3.47 A)
 &rst
  ixpk= 3819, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 879,
 &end
#
#    0 AMB  20-2:3820    57 TYR  HA          2.80    (#   3820:20  Single Ambig)
 &rst
  ixpk= 3820, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 336, 337, 338, 340, 341, 342, 371, 372, 373,
 &end
#
#    0 AMB  20-2:3821    57 TYR  HA          5.50    (#   3821:20  Single Ambig)
 &rst
  ixpk= 3821, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 334,
 &end
#
#   57 TYR  HN           57 TYR  HA          3.50    (#   3823:20  Unique         2.82, 2.83 A)
 &rst
  ixpk= 3823, nxpk= 20, iat= 862, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           57 TYR  HA          4.50    (#   3825:20  Unique         3.62, 3.63 A)
 &rst
  ixpk= 3825, nxpk= 20, iat= 883, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  115 ASP  HN          114 PRO  HA          3.50    (#   3829:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 3829, nxpk= 20, iat=1739,1735, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3835    57 TYR  HA          5.50    (#   3835:20  Single Ambig)
 &rst
  ixpk= 3835, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 923, 924, 925, 927, 928, 929, 635, 636,
 &end
#
#   94 SER  HN           94 SER  HB+         5.50    (#   3844:20  Unique         2.36, 3.09 A)
 &rst
  ixpk= 3844, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1420,1421,
 &end
#
#   37 ALA  HN           36 PRO  HA          3.50    (#   3845:20  Unique         2.54, 3.29 A)
 &rst
  ixpk= 3845, nxpk= 20, iat= 542, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3847    94 SER  HB-         5.50    (#   3847:20  Single Ambig)
 &rst
  ixpk= 3847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 igr2=1420,1421,
 &end
#
#   80 SER  HN           80 SER  HB+         5.50    (#   3848:20  Unique         2.87, 3.48 A)
 &rst
  ixpk= 3848, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:3850    80 SER  HB-         4.50    (#   3850:20  Single Ambig)
 &rst
  ixpk= 3850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1377,1382,1210,
 igr2=1190,1191,
 &end
#
#  107 GLU  HG-         104 ILE  HA          5.50    (#   3851:20  Unique         3.81, 4.62 A)
 &rst
  ixpk= 3851, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#   89 HIS  HB+          80 SER  HB-         5.50    (#   3852:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 3852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1338,1339,
 igr2=1190,1191,
 &end
#
#   19 VAL  MG2          80 SER  HB+         5.50    (#   3853:20  Unique         2.18, 4.19 A)
 &rst
  ixpk= 3853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262, 263,
 igr2=1190,1191,
 &end
#
#   19 VAL  MG2          80 SER  HB-         4.50    (#   3854:20  Unique         2.18, 4.19 A)
 &rst
  ixpk= 3854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262, 263,
 igr2=1190,1191,
 &end
#
#   80 SER  HN           80 SER  HB+         5.50    (#   3857:20  Unique         2.87, 3.48 A)
 &rst
  ixpk= 3857, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1190,1191,
 &end
#
#   94 SER  HA           94 SER  HB-         4.50    (#   3858:20  Unique         2.34, 2.62 A)
 &rst
  ixpk= 3858, nxpk= 20, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1420,1421,
 &end
#
#  107 GLU  HB+         104 ILE  HA          3.50    (#   3860:20  Unique         2.57, 3.85 A)
 &rst
  ixpk= 3860, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1598,1599,
 &end
#
#    0 AMB  20-2:3864   104 ILE  HA          4.50    (#   3864:20  Single Ambig)
 &rst
  ixpk= 3864, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1544,1545,1546, 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  20-2:3869     0 AMB  20-1:3869   3.50    (#   3869:20  Double Ambig)
 &rst
  ixpk= 3869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 463, 464, 529, 530,
 igr2= 445, 446, 445, 446,
 &end
#
#   80 SER  HN           80 SER  HB-         4.50    (#   3871:20  Unique         2.87, 3.48 A)
 &rst
  ixpk= 3871, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:3872   104 ILE  HA          2.80    (#   3872:20  Single Ambig)
 &rst
  ixpk= 3872, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1563,1564,1565,1556,1557,1558,
 &end
#
#    0 AMB  20-2:3873   104 ILE  HA          4.50    (#   3873:20  Single Ambig)
 &rst
  ixpk= 3873, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1594,1609,
 &end
#
#  104 ILE  HG1+        104 ILE  HA          3.50    (#   3875:20  Unique         2.64, 3.14 A)
 &rst
  ixpk= 3875, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#  104 ILE  HG1-        104 ILE  HA          3.50    (#   3876:20  Unique         2.64, 3.14 A)
 &rst
  ixpk= 3876, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#  104 ILE  HN          104 ILE  HA          3.50    (#   3877:20  Unique         2.87, 2.87 A)
 &rst
  ixpk= 3877, nxpk= 20, iat=1550,1552, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 HIS  HB+          80 SER  HB+         4.50    (#   3878:20  Unique         3.47, 5.12 A)
 &rst
  ixpk= 3878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1338,1339,
 igr2=1190,1191,
 &end
#
#    0 AMB  20-2:3879   104 ILE  HA          3.50    (#   3879:20  Single Ambig)
 &rst
  ixpk= 3879, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1554,1510,1511,
 &end
#
#  105 SER  HN          104 ILE  HA          4.50    (#   3880:20  Unique         3.59, 3.63 A)
 &rst
  ixpk= 3880, nxpk= 20, iat=1569,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 TYR  HB-          94 SER  HB+         5.50    (#   3884:20  Unique         2.15, 4.13 A)
 &rst
  ixpk= 3884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1420,1421,
 &end
#
#    0 AMB  20-2:3886    94 SER  HB-         5.50    (#   3886:20  Single Ambig)
 &rst
  ixpk= 3886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 806,1483,1484,
 igr2=1420,1421,
 &end
#
#    0 AMB  20-2:3888    94 SER  HB-         5.50    (#   3888:20  Single Ambig)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1454,1129,
 igr2=1420,1421,
 &end
#
#  103 ALA  MB          104 ILE  HA          4.50    (#   3892:20  Unique         4.39, 4.94 A)
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1544,1545,1546,
 &end
#
#    0 AMB  20-2:3894     0 AMB  20-1:3894   5.50    (#   3894:20  Double Ambig)
 &rst
  ixpk= 3894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1377,1382,1210,
 igr2=1190,1191,1190,1191,
 &end
#
#  107 GLU  HG+         104 ILE  HA          5.50    (#   3895:20  Unique         3.81, 4.62 A)
 &rst
  ixpk= 3895, nxpk= 20, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#    6 LEU  HG           29 SER  HB+         5.50    (#   3896:20  Unique         2.71, 3.79 A)
 &rst
  ixpk= 3896, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   38 ALA  HA           29 SER  HB-         4.50    (#   3900:20  Unique         2.04, 3.67 A)
 &rst
  ixpk= 3900, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#   39 GLU  HB-          29 SER  HB-         5.50    (#   3904:20  Unique         2.45, 4.78 A)
 &rst
  ixpk= 3904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 566, 567,
 igr2= 445, 446,
 &end
#
#   29 SER  HN           29 SER  HB+         4.50    (#   3907:20  Unique         2.40, 3.03 A)
 &rst
  ixpk= 3907, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#   35 ALA  MB           29 SER  HB-         4.50    (#   3908:20  Unique         3.10, 5.57 A)
 &rst
  ixpk= 3908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 522, 523, 524,
 igr2= 445, 446,
 &end
#
#   29 SER  HA           29 SER  HB+         3.50    (#   3909:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 3909, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 445, 446,
 &end
#
#   35 ALA  MB           29 SER  HB+         5.50    (#   3910:20  Unique         3.10, 5.57 A)
 &rst
  ixpk= 3910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 522, 523, 524,
 igr2= 445, 446,
 &end
#
#   29 SER  HA           29 SER  HB-         3.50    (#   3911:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 3911, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 445, 446,
 &end
#
#    6 LEU  MDY          29 SER  HB+         5.50    (#   3912:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 3912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#   30 ALA  HN           29 SER  HB+         5.50    (#   3914:20  Unique         1.93, 4.09 A)
 &rst
  ixpk= 3914, nxpk= 20, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#    6 LEU  HG           29 SER  HB-         4.50    (#   3915:20  Unique         2.71, 3.79 A)
 &rst
  ixpk= 3915, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 445, 446,
 &end
#
#    6 LEU  MDX          29 SER  HB+         5.50    (#   3917:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 3917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#    6 LEU  MDX          29 SER  HB-         4.50    (#   3919:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 3919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#    6 LEU  MDY          29 SER  HB-         3.50    (#   3921:20  Unique         2.18, 4.91 A)
 &rst
  ixpk= 3921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 445, 446,
 &end
#
#   38 ALA  HA           29 SER  HB+         5.50    (#   3922:20  Unique         2.04, 3.67 A)
 &rst
  ixpk= 3922, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   30 ALA  HN           29 SER  HB-         5.50    (#   3928:20  Unique         1.93, 4.09 A)
 &rst
  ixpk= 3928, nxpk= 20, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   53 HIS  HB-          53 HIS  HA          3.50    (#   3929:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 3929, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 808, 809,
 &end
#
#    0 AMB  20-2:3935    53 HIS  HA          3.50    (#   3935:20  Single Ambig)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 762, 763, 764, 336, 337, 338, 340, 341, 342, 336,
       337, 338, 340, 341, 342,
 &end
#
#    0 AMB  20-2:3937    53 HIS  HA          4.50    (#   3937:20  Single Ambig)
 &rst
  ixpk= 3937, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 843, 831,
 &end
#
#   53 HIS  HB+          53 HIS  HA          4.50    (#   3938:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 3938, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#    0 AMB  20-2:3940    53 HIS  HA          5.50    (#   3940:20  Single Ambig)
 &rst
  ixpk= 3940, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 334, 847,
 &end
#
#   56 ILE  HG1+         53 HIS  HA          5.50    (#   3941:20  Unique         2.61, 2.71 A)
 &rst
  ixpk= 3941, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#   68 GLY  HA+          33 SER  HB+         5.50    (#   3943:20  Unique         4.31, 6.42 A)
 &rst
  ixpk= 3943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1038,1039,
 igr2= 504, 505,
 &end
#
#   68 GLY  HA+          33 SER  HB-         5.50    (#   3945:20  Unique         4.31, 6.42 A)
 &rst
  ixpk= 3945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1038,1039,
 igr2= 504, 505,
 &end
#
#   33 SER  HA           33 SER  HB+         3.50    (#   3946:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 3946, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 504, 505,
 &end
#
#   33 SER  HA           33 SER  HB-         4.50    (#   3947:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 3947, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 504, 505,
 &end
#
#   59 LYS  HG+          56 ILE  HA          5.50    (#   3950:20  Unique         4.00, 4.72 A)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 903,
 &end
#
#   56 ILE  HG1+         56 ILE  HA          3.50    (#   3951:20  Unique         3.57, 3.77 A)
 &rst
  ixpk= 3951, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#    0 AMB  20-2:3953    56 ILE  HA          2.80    (#   3953:20  Single Ambig)
 &rst
  ixpk= 3953, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929, 762,
       763, 764,
 &end
#
#   56 ILE  HB           56 ILE  HA          4.50    (#   3954:20  Unique         2.69, 2.71 A)
 &rst
  ixpk= 3954, nxpk= 20, iat= 847, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HN           56 ILE  HA          3.50    (#   3955:20  Unique         2.87, 2.88 A)
 &rst
  ixpk= 3955, nxpk= 20, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HB+          56 ILE  HA          3.50    (#   3956:20  Unique         2.37, 3.14 A)
 &rst
  ixpk= 3956, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#    0 AMB  20-2:3957    56 ILE  HA          4.50    (#   3957:20  Single Ambig)
 &rst
  ixpk= 3957, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 371, 372, 373,
 &end
#
#    0 AMB  20-2:3958    56 ILE  HA          3.50    (#   3958:20  Single Ambig)
 &rst
  ixpk= 3958, nxpk= 20, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 853, 854, 905, 906, 667, 668,
 &end
#
#   49 TRP  HH2          56 ILE  HA          3.50    (#   3959:20  Unique         3.34, 3.49 A)
 &rst
  ixpk= 3959, nxpk= 20, iat= 749, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLN  HG+         104 ILE  QD1         5.50    (#   3974:20  Unique         3.42, 5.35 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1513,1514,
 igr2=1563,1564,1565,
 &end
#
#    0 AMB  20-2:3975   104 ILE  QD1         3.50    (#   3975:20  Single Ambig)
 &rst
  ixpk= 3975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1513,1514,1598,1599,
 igr2=1563,1564,1565,
 &end
#
#   24 LEU  HG          104 ILE  QD1         5.50    (#   3977:20  Unique         2.80, 5.04 A)
 &rst
  ixpk= 3977, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1563,1564,1565,
 &end
#
#   24 LEU  MDY         104 ILE  QD1         3.50    (#   3979:20  Unique         2.38, 5.11 A)
 &rst
  ixpk= 3979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2=1563,1564,1565,
 &end
#
#  104 ILE  HN          104 ILE  QD1         3.50    (#   3980:20  Unique         3.65, 4.30 A)
 &rst
  ixpk= 3980, nxpk= 20, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1563,1564,1565,
 &end
#
#  101 GLN  HE2-        104 ILE  QD1         5.50    (#   3981:20  Unique         3.43, 6.12 A)
 &rst
  ixpk= 3981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1518,1519,
 igr2=1563,1564,1565,
 &end
#
#   42 GLU  HB-         104 ILE  QD1         4.50    (#   3982:20  Unique         2.79, 4.59 A)
 &rst
  ixpk= 3982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 614, 615,
 igr2=1563,1564,1565,
 &end
#
#    0 AMB  20-2:3983   104 ILE  QD1         2.80    (#   3983:20  Single Ambig)
 &rst
  ixpk= 3983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1510,1511, 617, 618,1554, 614, 615,
 igr2=1563,1564,1565,
 &end
#
#  104 ILE  HG1+        104 ILE  QD1         2.80    (#   3984:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 3984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1560,1561,
 igr2=1563,1564,1565,
 &end
#
#  104 ILE  HA          104 ILE  QD1         4.50    (#   3985:20  Unique         2.19, 4.13 A)
 &rst
  ixpk= 3985, nxpk= 20, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1563,1564,1565,
 &end
#
#  101 GLN  HB-         104 ILE  QD1         3.50    (#   3987:20  Unique         2.29, 3.90 A)
 &rst
  ixpk= 3987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1510,1511,
 igr2=1563,1564,1565,
 &end
#
#  104 ILE  HG1-        104 ILE  QD1         2.80    (#   3988:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 3988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1560,1561,
 igr2=1563,1564,1565,
 &end
#
#  105 SER  HN          104 ILE  QD1         5.50    (#   3989:20  Unique         4.75, 5.59 A)
 &rst
  ixpk= 3989, nxpk= 20, iat=1569,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1563,1564,1565,
 &end
#
#   25 ILE  QG2          60 VAL  HA          5.50    (#   3995:20  Unique         6.19, 6.92 A)
 &rst
  ixpk= 3995, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 371, 372, 373,
 &end
#
#   60 VAL  HB           60 VAL  HA          3.50    (#   3996:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 3996, nxpk= 20, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           60 VAL  HA          3.50    (#   3997:20  Unique         2.86, 2.86 A)
 &rst
  ixpk= 3997, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HG+          60 VAL  HA          4.50    (#   3998:20  Unique         3.56, 3.92 A)
 &rst
  ixpk= 3998, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#   63 ASP  HN           60 VAL  HA          3.50    (#   3999:20  Unique         3.04, 3.18 A)
 &rst
  ixpk= 3999, nxpk= 20, iat= 951, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:4000    60 VAL  HA          3.50    (#   4000:20  Single Ambig)
 &rst
  ixpk= 4000, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 955, 970, 971,
 &end
#
#   60 VAL  MGX          60 VAL  HA          2.80    (#   4001:20  Unique         2.36, 3.10 A)
 &rst
  ixpk= 4001, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   60 VAL  MGY          60 VAL  HA          2.80    (#   4002:20  Unique         2.36, 3.10 A)
 &rst
  ixpk= 4002, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   63 ASP  HB3          60 VAL  HA          3.50    (#   4004:20  Unique         2.94, 3.06 A)
 &rst
  ixpk= 4004, nxpk= 20, iat= 956, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  HN           43 ILE  QD1         5.50    (#   4005:20  Unique         4.59, 5.39 A)
 &rst
  ixpk= 4005, nxpk= 20, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 638, 639, 640,
 &end
#
#   45 ARG  HE           43 ILE  QD1         4.50    (#   4006:20  Unique         3.00, 5.13 A)
 &rst
  ixpk= 4006, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 638, 639, 640,
 &end
#
#    0 AMB  20-2:4007    60 VAL  HA          4.50    (#   4007:20  Single Ambig)
 &rst
  ixpk= 4007, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 667, 668, 905, 906, 375, 376, 968,
 &end
#
#   61 SER  HN           60 VAL  HA          5.50    (#   4008:20  Unique         3.63, 3.66 A)
 &rst
  ixpk= 4008, nxpk= 20, iat= 933, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ILE  HN           43 ILE  QD1         4.50    (#   4009:20  Unique         4.68, 4.87 A)
 &rst
  ixpk= 4009, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 638, 639, 640,
 &end
#
#    0 AMB  20-2:4010    43 ILE  QD1         2.80    (#   4010:20  Single Ambig)
 &rst
  ixpk= 4010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 631, 632, 633, 123, 124, 125, 371, 372, 373,
 igr2= 638, 639, 640,
 &end
#
#   64 MET  HN           60 VAL  HA          5.50    (#   4011:20  Unique         3.90, 4.02 A)
 &rst
  ixpk= 4011, nxpk= 20, iat= 963, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4013    43 ILE  QD1         4.50    (#   4013:20  Single Ambig)
 &rst
  ixpk= 4013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 412, 121,
 igr2= 638, 639, 640,
 &end
#
#    0 AMB  20-2:4014    43 ILE  QD1         2.80    (#   4014:20  Single Ambig)
 &rst
  ixpk= 4014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 414, 415, 416, 418, 419, 420, 378, 379, 380,
 igr2= 638, 639, 640,
 &end
#
#    0 AMB  20-2:4015    43 ILE  QD1         2.80    (#   4015:20  Single Ambig)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 629, 974, 975, 976,
 igr2= 638, 639, 640,
 &end
#
#   43 ILE  HG1+         43 ILE  QD1         2.80    (#   4016:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 4016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 635, 636,
 igr2= 638, 639, 640,
 &end
#
#   43 ILE  HG1-         43 ILE  QD1         3.50    (#   4017:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 4017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 635, 636,
 igr2= 638, 639, 640,
 &end
#
#   43 ILE  HA           43 ILE  QD1         4.50    (#   4018:20  Unique         4.85, 5.14 A)
 &rst
  ixpk= 4018, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 638, 639, 640,
 &end
#
#    0 AMB  20-2:4019    43 ILE  QD1         3.50    (#   4019:20  Single Ambig)
 &rst
  ixpk= 4019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 375, 376, 667, 668,
 igr2= 638, 639, 640,
 &end
#
#    0 AMB  20-2:4020    43 ILE  QD1         5.50    (#   4020:20  Single Ambig)
 &rst
  ixpk= 4020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 365, 408,
 igr2= 638, 639, 640,
 &end
#
#  109 ILE  HN          109 ILE  HA          4.50    (#   4023:20  Unique         2.85, 2.86 A)
 &rst
  ixpk= 4023, nxpk= 20, iat=1631,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:4024   109 ILE  HA          3.50    (#   4024:20  Single Ambig)
 &rst
  ixpk= 4024, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1686,1687,1635,
 &end
#
#  112 LYS  HN          109 ILE  HA          5.50    (#   4025:20  Unique         3.32, 3.41 A)
 &rst
  ixpk= 4025, nxpk= 20, iat=1682,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 ILE  HG1-        109 ILE  HA          3.50    (#   4027:20  Unique         2.55, 2.68 A)
 &rst
  ixpk= 4027, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#   12 VAL  MGX         109 ILE  HA          2.80    (#   4028:20  Unique         2.23, 3.79 A)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#   12 VAL  MGY         109 ILE  HA          3.50    (#   4029:20  Unique         2.23, 3.79 A)
 &rst
  ixpk= 4029, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#  109 ILE  HG1+        109 ILE  HA          3.50    (#   4030:20  Unique         2.55, 2.68 A)
 &rst
  ixpk= 4030, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#   26 ARG  HD+          40 SER  HB2         5.50    (#   4032:20  Unique         2.81, 3.80 A)
 &rst
  ixpk= 4032, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 394, 395,
 &end
#
#    0 AMB  20-2:4033    79 ILE  QD1         5.50    (#   4033:20  Single Ambig)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 650, 651, 652, 654, 655, 656, 200, 201,
 igr2=1180,1181,1182,
 &end
#
#   26 ARG  HG-          40 SER  HB2         5.50    (#   4035:20  Unique         3.27, 3.77 A)
 &rst
  ixpk= 4035, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   26 ARG  HG-          40 SER  HB3         5.50    (#   4036:20  Unique         2.26, 2.61 A)
 &rst
  ixpk= 4036, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   41 LYS  HN           40 SER  HB2         3.50    (#   4037:20  Unique         3.48, 3.50 A)
 &rst
  ixpk= 4037, nxpk= 20, iat= 588, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ARG  HG+          40 SER  HB2         5.50    (#   4039:20  Unique         3.27, 3.77 A)
 &rst
  ixpk= 4039, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   79 ILE  HG1-         79 ILE  QD1         2.80    (#   4042:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 4042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1177,1178,
 igr2=1180,1181,1182,
 &end
#
#   56 ILE  QD1          79 ILE  QD1         5.50    (#   4045:20  Unique         5.89, 6.85 A)
 &rst
  ixpk= 4045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 856, 857, 858,
 igr2=1180,1181,1182,
 &end
#
#   41 LYS  HN           40 SER  HB3         3.50    (#   4046:20  Unique         2.53, 2.63 A)
 &rst
  ixpk= 4046, nxpk= 20, iat= 588, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:4048    40 SER  HB2         4.50    (#   4048:20  Single Ambig)
 &rst
  ixpk= 4048, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 386,
 &end
#
#   26 ARG  HG-          40 SER  HB2         4.50    (#   4049:20  Unique         3.27, 3.77 A)
 &rst
  ixpk= 4049, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#   22 TYR  HD           79 ILE  QD1         4.50    (#   4050:20  Unique         2.97, 4.60 A)
 &rst
  ixpk= 4050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 317, 326,
 igr2=1180,1181,1182,
 &end
#
#   90 VAL  MGY          79 ILE  QD1         3.50    (#   4051:20  Unique         3.44, 5.34 A)
 &rst
  ixpk= 4051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1357,1358,1359,1361,1362,1363,
 igr2=1180,1181,1182,
 &end
#
#    0 AMB  20-2:4053    40 SER  HB3         3.50    (#   4053:20  Single Ambig)
 &rst
  ixpk= 4053, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 426, 386,
 &end
#
#   40 SER  HA           40 SER  HB3         3.50    (#   4054:20  Unique         2.34, 2.37 A)
 &rst
  ixpk= 4054, nxpk= 20, iat= 579, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HA           40 SER  HB2         3.50    (#   4055:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 4055, nxpk= 20, iat= 579, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:4056    79 ILE  QD1         2.80    (#   4056:20  Single Ambig)
 &rst
  ixpk= 4056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1173,1174,1175,1177,1178,
 igr2=1180,1181,1182,
 &end
#
#   29 SER  HN           40 SER  HB3         5.50    (#   4057:20  Unique         5.05, 5.16 A)
 &rst
  ixpk= 4057, nxpk= 20, iat= 441, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 TYR  HB-          79 ILE  QD1         4.50    (#   4058:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 4058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 313, 314,
 igr2=1180,1181,1182,
 &end
#
#   40 SER  HN           40 SER  HB2         5.50    (#   4059:20  Unique         2.91, 3.01 A)
 &rst
  ixpk= 4059, nxpk= 20, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 ARG  HG+          40 SER  HB3         5.50    (#   4060:20  Unique         2.26, 2.61 A)
 &rst
  ixpk= 4060, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   46 GLY  HA+          79 ILE  QD1         4.50    (#   4061:20  Unique         2.59, 4.21 A)
 &rst
  ixpk= 4061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 686, 687,
 igr2=1180,1181,1182,
 &end
#
#   26 ARG  HD+          40 SER  HB2         4.50    (#   4062:20  Unique         2.81, 3.80 A)
 &rst
  ixpk= 4062, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 394, 395,
 &end
#
#  109 ILE  QD1         109 ILE  HA          4.50    (#   4063:20  Unique         4.55, 4.66 A)
 &rst
  ixpk= 4063, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#   22 TYR  HB+          79 ILE  QD1         4.50    (#   4064:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 4064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 313, 314,
 igr2=1180,1181,1182,
 &end
#
#   26 ARG  HD+          40 SER  HB3         3.50    (#   4065:20  Unique         2.47, 3.45 A)
 &rst
  ixpk= 4065, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 394, 395,
 &end
#
#   40 SER  HN           40 SER  HB3         4.50    (#   4066:20  Unique         3.92, 3.95 A)
 &rst
  ixpk= 4066, nxpk= 20, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ILE  HN           79 ILE  QD1         5.50    (#   4067:20  Unique         4.10, 4.85 A)
 &rst
  ixpk= 4067, nxpk= 20, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1180,1181,1182,
 &end
#
#   26 ARG  HG+          40 SER  HB2         5.50    (#   4068:20  Unique         3.27, 3.77 A)
 &rst
  ixpk= 4068, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   90 VAL  MGY         106 THR  HA          5.50    (#   4080:20  Unique         3.96, 5.88 A)
 &rst
  ixpk= 4080, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  20-2:4081   106 THR  HA          3.50    (#   4081:20  Single Ambig)
 &rst
  ixpk= 4081, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1635,1657,1658,1660,1661,
 &end
#
#  109 ILE  HN          106 THR  HA          4.50    (#   4082:20  Unique         3.59, 3.77 A)
 &rst
  ixpk= 4082, nxpk= 20, iat=1631,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 THR  HN          106 THR  HA          3.50    (#   4083:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 4083, nxpk= 20, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ILE  QD1         106 THR  HA          4.50    (#   4084:20  Unique         3.38, 4.61 A)
 &rst
  ixpk= 4084, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1644,1645,1646,
 &end
#
#  106 THR  MG2         106 THR  HA          3.50    (#   4085:20  Unique         2.35, 2.88 A)
 &rst
  ixpk= 4085, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#  118 VAL  MGX         106 THR  HA          3.50    (#   4086:20  Unique         2.09, 3.80 A)
 &rst
  ixpk= 4086, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#  109 ILE  HB          109 ILE  QD1         3.50    (#   4087:20  Unique         2.46, 3.09 A)
 &rst
  ixpk= 4087, nxpk= 20, iat=1635,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1644,1645,1646,
 &end
#
#    0 AMB  20-2:4088   106 THR  HA          5.50    (#   4088:20  Single Ambig)
 &rst
  ixpk= 4088, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1594,1609,
 &end
#
#  106 THR  HB          106 THR  HA          3.50    (#   4091:20  Unique         2.57, 2.64 A)
 &rst
  ixpk= 4091, nxpk= 20, iat=1584,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:4092   109 ILE  QD1         3.50    (#   4092:20  Single Ambig)
 &rst
  ixpk= 4092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 igr2=1644,1645,1646,
 &end
#
#    0 AMB  20-2:4093   109 ILE  QD1         2.80    (#   4093:20  Single Ambig)
 &rst
  ixpk= 4093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1641,1642, 203, 204, 205,1357,1358,1359,1361,1362,
      1363,
 igr2=1644,1645,1646,
 &end
#
#   79 ILE  QD1         109 ILE  QD1         3.50    (#   4094:20  Unique         3.79, 5.15 A)
 &rst
  ixpk= 4094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1180,1181,1182,
 igr2=1644,1645,1646,
 &end
#
#  109 ILE  HG1+        109 ILE  QD1         2.80    (#   4095:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 4095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1641,1642,
 igr2=1644,1645,1646,
 &end
#
#    0 AMB  20-2:4096   106 THR  HA          5.50    (#   4096:20  Single Ambig)
 &rst
  ixpk= 4096, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1641,1642,1654,1655,
 &end
#
#    0 AMB  20-2:4097   109 ILE  QD1         3.50    (#   4097:20  Single Ambig)
 &rst
  ixpk= 4097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1582,1633,
 igr2=1644,1645,1646,
 &end
#
#  109 ILE  HN          109 ILE  QD1         4.50    (#   4098:20  Unique         3.68, 4.35 A)
 &rst
  ixpk= 4098, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1644,1645,1646,
 &end
#
#  105 SER  HB2         109 ILE  QD1         5.50    (#   4099:20  Unique         3.73, 4.71 A)
 &rst
  ixpk= 4099, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1644,1645,1646,
 &end
#
#    0 AMB  20-2:4101     9 ILE  QD1         4.50    (#   4101:20  Single Ambig)
 &rst
  ixpk= 4101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1047,1024,1026,1027,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4102     9 ILE  QD1         5.50    (#   4102:20  Single Ambig)
 &rst
  ixpk= 4102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 601, 602,1048,
 igr2= 130, 131, 132,
 &end
#
#    6 LEU  MDY           9 ILE  QD1         2.80    (#   4103:20  Unique         2.42, 5.01 A)
 &rst
  ixpk= 4103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  78,  79,  80,  82,  83,  84,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4104     9 ILE  QD1         2.80    (#   4104:20  Single Ambig)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 127, 128, 598, 599,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4105     9 ILE  QD1         3.50    (#   4105:20  Single Ambig)
 &rst
  ixpk= 4105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 117,  98,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4106     9 ILE  QD1         4.50    (#   4106:20  Single Ambig)
 &rst
  ixpk= 4106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 119,  49,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4107     9 ILE  QD1         2.80    (#   4107:20  Single Ambig)
 &rst
  ixpk= 4107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 121, 412,
 igr2= 130, 131, 132,
 &end
#
#    9 ILE  HG1+          9 ILE  QD1         2.80    (#   4108:20  Unique         2.31, 2.65 A)
 &rst
  ixpk= 4108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4109     9 ILE  QD1         3.50    (#   4109:20  Single Ambig)
 &rst
  ixpk= 4109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 598, 599, 968,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4112     9 ILE  QD1         4.50    (#   4112:20  Single Ambig)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 595, 596, 635, 636,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4114     9 ILE  QD1         5.50    (#   4114:20  Single Ambig)
 &rst
  ixpk= 4114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  69, 441, 963,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4116     9 ILE  QD1         3.50    (#   4116:20  Single Ambig)
 &rst
  ixpk= 4116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  51,  52,  53,  74,
 igr2= 130, 131, 132,
 &end
#
#   57 TYR  HN           56 ILE  QD1         5.50    (#   4118:20  Unique         5.01, 5.27 A)
 &rst
  ixpk= 4118, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 856, 857, 858,
 &end
#
#   46 GLY  HA-          56 ILE  QD1         4.50    (#   4119:20  Unique         2.26, 3.37 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 686, 687,
 igr2= 856, 857, 858,
 &end
#
#   46 GLY  HA+          56 ILE  QD1         3.50    (#   4120:20  Unique         2.26, 3.37 A)
 &rst
  ixpk= 4120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 686, 687,
 igr2= 856, 857, 858,
 &end
#
#   23 VAL  HN           56 ILE  QD1         4.50    (#   4121:20  Unique         2.69, 3.56 A)
 &rst
  ixpk= 4121, nxpk= 20, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 856, 857, 858,
 &end
#
#   47 TYR  HN           56 ILE  QD1         3.50    (#   4122:20  Unique         2.80, 3.72 A)
 &rst
  ixpk= 4122, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 856, 857, 858,
 &end
#
#   56 ILE  HG1+         56 ILE  QD1         2.80    (#   4123:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 4123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 853, 854,
 igr2= 856, 857, 858,
 &end
#
#  107 GLU  HN          106 THR  HB          4.50    (#   4124:20  Unique         3.19, 3.39 A)
 &rst
  ixpk= 4124, nxpk= 20, iat=1594,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 TYR  HA           56 ILE  QD1         3.50    (#   4125:20  Unique         2.19, 2.52 A)
 &rst
  ixpk= 4125, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 856, 857, 858,
 &end
#
#  106 THR  HN          106 THR  HB          4.50    (#   4127:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 4127, nxpk= 20, iat=1580,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 TYR  HD           56 ILE  QD1         5.50    (#   4128:20  Unique         3.60, 6.36 A)
 &rst
  ixpk= 4128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 699, 708,
 igr2= 856, 857, 858,
 &end
#
#  106 THR  HA          106 THR  HB          4.50    (#   4129:20  Unique         2.57, 2.64 A)
 &rst
  ixpk= 4129, nxpk= 20, iat=1582,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 GLU  HN          106 THR  HB          4.50    (#   4130:20  Unique         3.19, 3.39 A)
 &rst
  ixpk= 4130, nxpk= 20, iat=1594,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:4132   106 THR  HB          4.50    (#   4132:20  Single Ambig)
 &rst
  ixpk= 4132, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1663,1664,1542,1821,1822,1821,1822,
 &end
#
#  106 THR  MG2         106 THR  HB          3.50    (#   4133:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 4133, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#  118 VAL  MGX         106 THR  HB          3.50    (#   4134:20  Unique         3.04, 5.36 A)
 &rst
  ixpk= 4134, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   57 TYR  HA           25 ILE  QG2         2.80    (#   4135:20  Unique         2.88, 3.77 A)
 &rst
  ixpk= 4135, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 371, 372, 373,
 &end
#
#    0 AMB  20-2:4138    25 ILE  QG2         2.80    (#   4138:20  Single Ambig)
 &rst
  ixpk= 4138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 369, 375, 376,
 igr2= 371, 372, 373,
 &end
#
#   25 ILE  HN           25 ILE  QG2         4.50    (#   4139:20  Unique         2.53, 3.30 A)
 &rst
  ixpk= 4139, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 371, 372, 373,
 &end
#
#   60 VAL  HB           25 ILE  QG2         3.50    (#   4141:20  Unique         3.30, 4.12 A)
 &rst
  ixpk= 4141, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 371, 372, 373,
 &end
#
#    0 AMB  20-2:4143    25 ILE  QG2         3.50    (#   4143:20  Single Ambig)
 &rst
  ixpk= 4143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 635, 636, 923, 924, 925, 927, 928, 929,
 igr2= 371, 372, 373,
 &end
#
#    0 AMB  20-2:4144    25 ILE  QG2         7.00    (#   4144:20  Single Ambig)
 &rst
  ixpk= 4144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1071, 970, 971,
 igr2= 371, 372, 373,
 &end
#
#   43 ILE  QD1          25 ILE  QG2         3.50    (#   4145:20  Unique         3.07, 5.47 A)
 &rst
  ixpk= 4145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639, 640,
 igr2= 371, 372, 373,
 &end
#
#   57 TYR  HD           25 ILE  QG2         3.50    (#   4146:20  Unique         2.59, 5.49 A)
 &rst
  ixpk= 4146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 870, 879,
 igr2= 371, 372, 373,
 &end
#
#   45 ARG  HG+          25 ILE  QG2         4.50    (#   4147:20  Unique         3.64, 5.14 A)
 &rst
  ixpk= 4147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 667, 668,
 igr2= 371, 372, 373,
 &end
#
#   57 TYR  HE           25 ILE  QG2         4.50    (#   4148:20  Unique         4.28, 6.72 A)
 &rst
  ixpk= 4148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 872, 877,
 igr2= 371, 372, 373,
 &end
#
#   60 VAL  HN           25 ILE  QG2         5.50    (#   4149:20  Unique         5.29, 6.23 A)
 &rst
  ixpk= 4149, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#   52 TYR  HN           52 TYR  HA          4.50    (#   4160:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 4160, nxpk= 20, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 TYR  HN           55 ASP  HB2         7.00    (#   4161:20  Unique         3.26, 3.39 A)
 &rst
  ixpk= 4161, nxpk= 20, iat= 783, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   52 TYR  HN           55 ASP  HB3         7.00    (#   4162:20  Unique         3.35, 3.43 A)
 &rst
  ixpk= 4162, nxpk= 20, iat= 783, 836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   51 GLU  HN           55 ASP  HB2         7.00    (#   4163:20  Unique         4.35, 4.45 A)
 &rst
  ixpk= 4163, nxpk= 20, iat= 768, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 TYR  HE           61 SER  HB+         7.00    (#   4164:20  Unique         3.98, 5.06 A)
 &rst
  ixpk= 4164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 937, 938,
 &end
#
#   57 TYR  HE           61 SER  HB-         7.00    (#   4165:20  Unique         3.98, 5.06 A)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 937, 938,
 &end
#
#    0 AMB  20-2:4166     0 AMB  20-1:4166   7.00    (#   4166:20  Double Ambig)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1066, 980, 917,
 igr2= 937, 938, 937, 938, 937, 938,
 &end
#
#   68 GLY  HN           67 GLN  HB3         7.00    (#   4167:20  Unique         3.58, 3.95 A)
 &rst
  ixpk= 4167, nxpk= 20, iat=1036,1024, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4168    69 CYS  HB3         5.50    (#   4168:20  Single Ambig)
 &rst
  ixpk= 4168, nxpk= 20, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 982,
 &end
#
#   78 ARG  HG+          78 ARG  HB+         5.50    (#   4170:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 4170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#   90 VAL  HN           89 HIS  HB+         7.00    (#   4171:20  Unique         3.77, 4.05 A)
 &rst
  ixpk= 4171, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1338,1339,
 &end
#
#   91 TYR  HN           91 TYR  HA          5.50    (#   4174:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 4174, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 TRP  HE3         102 HIS  HB3         5.50    (#   4177:20  Unique         3.66, 3.70 A)
 &rst
  ixpk= 4177, nxpk= 20, iat=1836,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 TRP  HE3         102 HIS  HB2         5.50    (#   4178:20  Unique         2.11, 2.29 A)
 &rst
  ixpk= 4178, nxpk= 20, iat=1836,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 HIS  HD2         105 SER  HB2         7.00    (#   4179:20  Unique         3.85, 3.96 A)
 &rst
  ixpk= 4179, nxpk= 20, iat=1536,1573, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4180   105 SER  HB2         5.50    (#   4180:20  Single Ambig)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355, 356, 357, 359, 360, 361,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  111 ALA  HN          107 GLU  HA          7.00    (#   4181:20  Unique         4.05, 4.13 A)
 &rst
  ixpk= 4181, nxpk= 20, iat=1672,1596, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  111 ALA  HN          110 LYS  HA          7.00    (#   4182:20  Unique         3.60, 3.61 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=1672,1652, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  110 LYS  HA          110 LYS  HB+         3.50    (#   4183:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 4183, nxpk= 20, iat=1652,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1654,1655,
 &end
#
#  107 GLU  HA          110 LYS  HB+         4.50    (#   4184:20  Unique         2.73, 3.86 A)
 &rst
  ixpk= 4184, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1654,1655,
 &end
#
#  110 LYS  HG-         110 LYS  HB+         3.50    (#   4185:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 4185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1657,1658,
 igr2=1654,1655,
 &end
#
#  125 TYR  HN          125 TYR  HB+         7.00    (#   4186:20  Unique         2.89, 3.38 A)
 &rst
  ixpk= 4186, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1888,1889,
 &end
#
#   75 GLY  HA-          97 TYR  HB+         3.50    (#   4187:20  Unique         2.26, 3.38 A)
 &rst
  ixpk= 4187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1124,1125,
 igr2=1458,1459,
 &end
#
#    0 AMB  20-2:4191     0 AMB  20-1:4191   5.50    (#   4191:20  Double Ambig)
 &rst
  ixpk= 4191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1=1300,1301,1300,1301, 522, 523, 524,
 igr2=1218,1219,1218,1219, 466, 467,
 &end
#
#   43 ILE  QD1          45 ARG  HG-         7.00    (#   4193:20  Unique         3.06, 4.41 A)
 &rst
  ixpk= 4193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 638, 639, 640,
 igr2= 667, 668,
 &end
#
#   60 VAL  MGX          45 ARG  HG-         3.50    (#   4194:20  Unique         2.08, 3.55 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 923, 924, 925, 927, 928, 929,
 igr2= 667, 668,
 &end
#
#    0 AMB  20-2:4195    45 ARG  HG-         4.50    (#   4195:20  Single Ambig)
 &rst
  ixpk= 4195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 371, 372, 373, 856, 857, 858, 631, 632, 633,
 igr2= 667, 668,
 &end
#
#   45 ARG  HA           45 ARG  HG-         5.50    (#   4196:20  Unique         3.14, 3.54 A)
 &rst
  ixpk= 4196, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   45 ARG  HA           45 ARG  HG+         7.00    (#   4197:20  Unique         3.14, 3.54 A)
 &rst
  ixpk= 4197, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 667, 668,
 &end
#
#   45 ARG  HE           45 ARG  HG-         7.00    (#   4198:20  Unique         2.57, 3.17 A)
 &rst
  ixpk= 4198, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 667, 668,
 &end
#
#   45 ARG  HE           45 ARG  HG+         5.50    (#   4199:20  Unique         2.57, 3.17 A)
 &rst
  ixpk= 4199, nxpk= 20, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#    0 AMB  20-2:4200     9 ILE  QD1         4.50    (#   4200:20  Single Ambig)
 &rst
  ixpk= 4200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 466, 467, 466, 467,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:4202    56 ILE  QD1         7.00    (#   4202:20  Single Ambig)
 &rst
  ixpk= 4202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1= 808, 809, 313, 314, 271, 272,
 igr2= 856, 857, 858,
 &end
#
#    0 AMB  20-2:4203    25 ILE  QG2         4.50    (#   4203:20  Single Ambig)
 &rst
  ixpk= 4203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 334, 847,
 igr2= 371, 372, 373,
 &end
#
#   45 ARG  HN           25 ILE  QG2         7.00    (#   4204:20  Unique         4.45, 5.44 A)
 &rst
  ixpk= 4204, nxpk= 20, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 371, 372, 373,
 &end
#
#   26 ARG  HN           25 ILE  QG2         5.50    (#   4205:20  Unique         4.92, 5.25 A)
 &rst
  ixpk= 4205, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 371, 372, 373,
 &end
#
#    0 AMB  20-2:4206    25 ILE  QG2         7.00    (#   4206:20  Single Ambig)
 &rst
  ixpk= 4206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 867, 937, 938,
 igr2= 371, 372, 373,
 &end
#
#   24 LEU  MDY          44 VAL  MGX         3.50    (#   4207:20  Unique         2.35, 5.88 A)
 &rst
  ixpk= 4207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 355, 356, 357, 359, 360, 361,
 igr2= 650, 651, 652, 654, 655, 656,
 &end
#
#    4 ALA  HN            3 VAL  MGY         4.50    (#   4208:20  Unique         2.44, 4.36 A)
 &rst
  ixpk= 4208, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  37,  38,  39,  41,  42,  43,
 &end
#
#    0 AMB  20-2:4210     0 AMB  20-1:4210   4.50    (#   4210:20  Double Ambig)
 &rst
  ixpk= 4210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  47,1631,
 igr2=  37,  38,  39,  41,  42,  43, 650, 651, 652, 654,
       655, 656,
 &end
#
#   60 VAL  HN           60 VAL  MGX         4.50    (#   4211:20  Unique         2.17, 3.79 A)
 &rst
  ixpk= 4211, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 923, 924, 925, 927, 928, 929,
 &end
#
#  101 GLN  HE2+        101 GLN  HG-         5.50    (#   4212:20  Unique         2.26, 3.42 A)
 &rst
  ixpk= 4212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1518,1519,
 igr2=1513,1514,
 &end
#
#    0 AMB  20-2:4213    83 SER  HA          5.50    (#   4213:20  Single Ambig)
 &rst
  ixpk= 4213, nxpk= 20, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1216,1199,
 &end
#
#    0 AMB  20-2:4214   118 VAL  MGY         3.50    (#   4214:20  Single Ambig)
 &rst
  ixpk= 4214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1635,1657,1658,1660,1661,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#  110 LYS  HG-         118 VAL  MGY         4.50    (#   4215:20  Unique         2.23, 4.45 A)
 &rst
  ixpk= 4215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1657,1658,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#   87 LYS  HG+         118 VAL  MGX         4.50    (#   4216:20  Unique         4.70, 6.88 A)
 &rst
  ixpk= 4216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1300,1301,
 igr2=1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  20-2:4218     0 AMB  20-1:4218   2.80    (#   4218:20  Double Ambig)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 921, 648,1613,
 igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
       655, 656,
 &end
#
#   87 LYS  HA          117 GLU  HB+         5.50    (#   4220:20  Unique         3.42, 5.05 A)
 &rst
  ixpk= 4220, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#   87 LYS  HA          117 GLU  HB-         5.50    (#   4221:20  Unique         3.42, 5.05 A)
 &rst
  ixpk= 4221, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1776,1777,
 &end
#
#   87 LYS  HB+         117 GLU  HB-         4.50    (#   4222:20  Unique         3.03, 5.10 A)
 &rst
  ixpk= 4222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1297,1298,
 igr2=1776,1777,
 &end
#
#    5 ASP  HB-           4 ALA  MB          7.00    (#   4226:20  Unique         4.77, 5.85 A)
 &rst
  ixpk= 4226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  61,  62,
 igr2=  51,  52,  53,
 &end
#
#    5 ASP  HB+           4 ALA  MB          7.00    (#   4227:20  Unique         4.77, 5.85 A)
 &rst
  ixpk= 4227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  61,  62,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  20-2:4228     4 ALA  MB          4.50    (#   4228:20  Single Ambig)
 &rst
  ixpk= 4228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 466, 467,1023,
 igr2=  51,  52,  53,
 &end
#
#   80 SER  HB-          19 VAL  MG2         3.50    (#   4232:20  Unique         2.18, 4.19 A)
 &rst
  ixpk= 4232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,
 igr2= 261, 262, 263,
 &end
#
#    7 ALA  MB            8 LEU  MDX         4.50    (#   4236:20  Unique         3.62, 6.26 A)
 &rst
  ixpk= 4236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  92,  93,  94,
 igr2= 107, 108, 109, 111, 112, 113,
 &end
#
#   45 ARG  HG+          43 ILE  QD1         4.50    (#   4239:20  Unique         3.06, 4.41 A)
 &rst
  ixpk= 4239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 667, 668,
 igr2= 638, 639, 640,
 &end
#
#   41 LYS  HD-          43 ILE  QD1         7.00    (#   4240:20  Unique         4.29, 6.46 A)
 &rst
  ixpk= 4240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 598, 599,
 igr2= 638, 639, 640,
 &end
#
#   56 ILE  HA           50 ALA  MB          4.50    (#   4241:20  Unique         3.51, 4.31 A)
 &rst
  ixpk= 4241, nxpk= 20, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 762, 763, 764,
 &end
#
#   55 ASP  HA           58 ASP  HB-         5.50    (#   4242:20  Unique         3.06, 3.65 A)
 &rst
  ixpk= 4242, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 887, 888,
 &end
#
#    0 AMB  20-2:4243     0 AMB  20-1:4243   5.50    (#   4243:20  Double Ambig)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 919, 845, 946, 947,
 igr2= 902, 903, 902, 903, 902, 903,
 &end
#
#   69 CYS  HA           70 ASP  HB+         5.50    (#   4244:20  Unique         4.57, 4.60 A)
 &rst
  ixpk= 4244, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1058,1059,
 &end
#
#   74 LEU  HG            0 AMB  20-1:4245   2.80    (#   4245:20  Single Ambig)
 &rst
  ixpk= 4245, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#    0 AMB  20-2:4246    79 ILE  QD1         2.80    (#   4246:20  Single Ambig)
 &rst
  ixpk= 4246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 196, 197, 198, 203, 204, 205,1357,1358,1359,1361,
      1362,1363,
 igr2=1180,1181,1182,
 &end
#
#   94 SER  HN           94 SER  HB-         7.00    (#   4249:20  Unique         2.36, 3.09 A)
 &rst
  ixpk= 4249, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1420,1421,
 &end
#
#  100 ALA  HN           99 PRO  HB+         7.00    (#   4253:20  Unique         3.35, 3.71 A)
 &rst
  ixpk= 4253, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1489,1490,
 &end
#
#    0 AMB  20-2:4255   109 ILE  QD1         2.80    (#   4255:20  Single Ambig)
 &rst
  ixpk= 4255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 650, 651, 652, 654, 655, 656, 203, 204, 205, 196,
       197, 198,
 igr2=1644,1645,1646,
 &end
#
#   12 VAL  MGY         112 LYS  HD-         4.50    (#   4256:20  Unique         3.89, 6.31 A)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 168, 169, 170, 172, 173, 174,
 igr2=1692,1693,
 &end
#
#  106 THR  MG2         118 VAL  HB          5.50    (#   4257:20  Unique         2.42, 3.82 A)
 &rst
  ixpk= 4257, nxpk= 20, iat=  -1,1791, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1586,1587,1588,
 &end
#
#    0 AMB  20-2:4258     0 AMB  20-1:4258   7.00    (#   4258:20  Double Ambig)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1817,1540,
 igr2=1821,1822,1821,1822,
 &end
#
#   94 SER  HN           93 TYR  HB+         5.50    (#   4261:20  Unique         2.73, 3.49 A)
 &rst
  ixpk= 4261, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1399,1400,
 &end
#
#   46 GLY  HA-          22 TYR  HB-         7.00    (#   4262:20  Unique         2.14, 3.36 A)
 &rst
  ixpk= 4262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#   46 GLY  HA+          22 TYR  HB-         7.00    (#   4263:20  Unique         2.14, 3.36 A)
 &rst
  ixpk= 4263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#   46 GLY  HA+          22 TYR  HB+         7.00    (#   4264:20  Unique         2.14, 3.36 A)
 &rst
  ixpk= 4264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 686, 687,
 igr2= 313, 314,
 &end
#
#   22 TYR  HD           22 TYR  HB-         5.50    (#   4265:20  Unique         2.35, 3.07 A)
 &rst
  ixpk= 4265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 326,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:4266    22 TYR  HB-         7.00    (#   4266:20  Single Ambig)
 &rst
  ixpk= 4266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 275, 283, 691,1536,
 igr2= 313, 314,
 &end
#
#    0 AMB  20-2:4267     0 AMB  20-1:4267   7.00    (#   4267:20  Double Ambig)
 &rst
  ixpk= 4267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 275, 283, 691,1536,
 igr2= 313, 314, 313, 314, 313, 314,
 &end
#
#    0 AMB  20-2:4270   103 ALA  MB          4.50    (#   4270:20  Single Ambig)
 &rst
  ixpk= 4270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1508,1525,1584,
 igr2=1544,1545,1546,
 &end
#
#   37 ALA  HN           35 ALA  MB          5.50    (#   4274:20  Unique         2.55, 4.29 A)
 &rst
  ixpk= 4274, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 522, 523, 524,
 &end
#
#    5 ASP  HA            6 LEU  HA          5.50    (#   4276:20  Unique         4.31, 4.34 A)
 &rst
  ixpk= 4276, nxpk= 20, iat=  59,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4280   119 THR  MG2         5.50    (#   4280:20  Single Ambig)
 &rst
  ixpk= 4280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1776,1777,1791,1218,1219,
 igr2=1809,1810,1811,
 &end
#
#   87 LYS  HD+         119 THR  MG2         5.50    (#   4281:20  Unique         2.31, 4.01 A)
 &rst
  ixpk= 4281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1303,1304,
 igr2=1809,1810,1811,
 &end
#
#   27 VAL  MGY          29 SER  HA          5.50    (#   4282:20  Unique         4.73, 7.22 A)
 &rst
  ixpk= 4282, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#  121 ALA  MB           91 TYR  HA          7.00    (#   4290:20  Unique         3.67, 5.24 A)
 &rst
  ixpk= 4290, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1845,1846,1847,
 &end
#
#   99 PRO  HA           93 TYR  HA          3.50    (#   4292:20  Unique         2.08, 2.17 A)
 &rst
  ixpk= 4292, nxpk= 20, iat=1492,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 PRO  HA           93 TYR  HB+         7.00    (#   4293:20  Unique         2.94, 3.41 A)
 &rst
  ixpk= 4293, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1399,1400,
 &end
#
#   99 PRO  HA           93 TYR  HB-         7.00    (#   4294:20  Unique         2.94, 3.41 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1399,1400,
 &end
#
#    0 AMB  20-2:4295     0 AMB  20-1:4295   7.00    (#   4295:20  Double Ambig)
 &rst
  ixpk= 4295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1454,1129,
 igr2=1420,1421,1420,1421,
 &end
#
#    0 AMB  20-2:4301    11 ASP  HA          4.50    (#   4301:20  Single Ambig)
 &rst
  ixpk= 4301, nxpk= 20, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 629, 648,
 &end
#
#   21 LYS  HN           21 LYS  HA          7.00    (#   4303:20  Unique         2.91, 2.95 A)
 &rst
  ixpk= 4303, nxpk= 20, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   78 ARG  HB-          21 LYS  HA          7.00    (#   4304:20  Unique         2.63, 3.87 A)
 &rst
  ixpk= 4304, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1147,1148,
 &end
#
#   32 ARG  HN           32 ARG  HG+         7.00    (#   4305:20  Unique         2.51, 3.79 A)
 &rst
  ixpk= 4305, nxpk= 20, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 483, 484,
 &end
#
#   57 TYR  HE           25 ILE  HG1+        7.00    (#   4306:20  Unique         2.23, 6.79 A)
 &rst
  ixpk= 4306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 872, 877,
 igr2= 375, 376,
 &end
#
#   64 MET  ME           64 MET  HG-         4.50    (#   4307:20  Unique         2.41, 3.51 A)
 &rst
  ixpk= 4307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2= 970, 971,
 &end
#
# 106 THR HN 102 HIS O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1538, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 106 THR N 102 HIS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1538, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 107 GLU HN 103 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1548, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 107 GLU N 103 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1593,1548, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 108 LYS HN 104 ILE O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1567, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 108 LYS N 104 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1567, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 109 ILE HN 105 SER O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1631,1578, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 109 ILE N 105 SER O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1578, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 110 LYS HN 106 THR O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1592, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 110 LYS N 106 THR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1649,1592, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 111 ALA HN 107 GLU O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1607, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 111 ALA N 107 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1607, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 112 LYS HN 108 LYS O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1629, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 112 LYS N 108 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1629, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 57 TYR HN 53 HIS O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 819, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 57 TYR N 53 HIS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 819, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 58 ASP HN 54 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 829, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 58 ASP N 54 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 829, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 59 LYS HN 55 ASP O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 841, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 59 LYS N 55 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 841, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 60 VAL HN 56 ILE O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 860, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 60 VAL N 56 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 860, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 61 SER HN 57 TYR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 881, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 61 SER N 57 TYR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 881, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 62 GLY HN 58 ASP O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 893, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 62 GLY N 58 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 893, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 63 ASP HN 59 LYS O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 915, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 63 ASP N 59 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 915, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 64 MET HN 60 VAL O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 931, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 64 MET N 60 VAL O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 931, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 65 GLN HN 61 SER O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 942, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 65 GLN N 61 SER O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 942, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 66 LYS HN 62 GLY O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 997, 949, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 66 LYS N 62 GLY O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 996, 949, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 67 GLN HN 63 ASP O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1019, 961, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 67 GLN N 63 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1018, 961, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 28 HIS HN 70 ASP O 1.8 2.3  (#28-70 beta-sheet)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,1064, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28 HIS N 70 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 423,1064, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 26 ARG HN 72 GLU O  1.8 2.3  (#76-26)
 &rst
  ixpk= 0, nxpk= 0, iat= 384,1090, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 26 ARG N 72 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 383,1090, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 72 GLU HN 26 ARG O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1077, 406, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 72 GLU N 26 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1076, 406, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 27 VAL HN 41 LYS O  1.8 2.3  (#27-41)
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 608, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 27 VAL N 41 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 608, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 41 LYS HN 27 VAL O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 422, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 41 LYS N 27 VAL O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 422, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 SER HN 39 GLU O 1.8 2.3  (#29-39)
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 575, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29 SER N 39 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 575, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 25 ILE HN 43 ILE O  1.8 2.3  (#25-43)
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 642, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 25 ILE N 43 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 642, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 43 ILE HN 25 ILE O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 382, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 43 ILE N 25 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 382, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 VAL HN 45 ARG O 1.8 2.3  (#23-45)
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 682, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23 VAL N 45 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 682, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 VAL O 45 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 660, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23 VAL O 45 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 659, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 24 LEU HN 75 GLY O 1.8 2.3  (#24-75)
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1127, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 24 LEU N 75 GLY O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1127, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 22 TYR O 77 GLY HN 1.8 2.3  (#22-77)
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1136, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 22 TYR O 77 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1135, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 90 VAL HN 119 THR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1815, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 90 VAL N 119 THR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1815, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 78 ARG HN 91 TYR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1386, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 78 ARG N 91 TYR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1386, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 91 TYR HN 78 ARG O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1367,1165, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 91 TYR N 78 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1165, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:7      120 TRP  HE1         5.50    (#      7:10  Single Ambig)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1832,1834,1594,
 &end
#
#  120 TRP  HD1         120 TRP  HE1         2.80    (#      8:10  Unique         2.55, 2.55 A)
 &rst
  ixpk= 8, nxpk= 10, iat=1825,1827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:9      120 TRP  HE1         3.50    (#      9:10  Single Ambig)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1542,1821,1822,1821,1822,
 &end
#
#  103 ALA  MB          120 TRP  HE1         3.50    (#     10:10  Unique         3.72, 4.50 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#    0 AMB  10-2:11     120 TRP  HE1         4.50    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#  117 GLU  HA          118 VAL  HN          2.80    (#     14:10  Unique         2.36, 2.45 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1774,1787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:15     118 VAL  HN          3.50    (#     15:10  Single Ambig)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1791,1776,1777,
 &end
#
#  117 GLU  HG-         118 VAL  HN          5.50    (#     16:10  Unique         2.01, 2.31 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1779,1780,
 &end
#
#    0 AMB  10-2:17     118 VAL  HN          4.50    (#     17:10  Single Ambig)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  118 VAL  HA          118 VAL  HN          4.50    (#     18:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 18, nxpk= 10, iat=1789,1787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  HG+         118 VAL  HN          4.50    (#     19:10  Unique         2.01, 2.31 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1779,1780,
 &end
#
#   90 VAL  HA           90 VAL  HN          5.50    (#     21:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 21, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 ARG  HA           45 ARG  HN          4.50    (#     24:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 662, 660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HB2          45 ARG  HN          3.50    (#     26:10  Unique         2.68, 2.76 A)
 &rst
  ixpk= 26, nxpk= 10, iat= 664, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:27      45 ARG  HN          4.50    (#     27:10  Single Ambig)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 667, 668, 350, 351,
 &end
#
#   45 ARG  HG+          45 ARG  HN          4.50    (#     28:10  Unique         3.26, 3.93 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#    0 AMB  10-2:29      45 ARG  HN          3.50    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 650, 651, 652, 654, 655, 656, 923, 924, 925, 927,
       928, 929, 849, 850, 851,
 &end
#
#    0 AMB  10-2:30      45 ARG  HN          3.50    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 371, 372, 373, 856, 857, 858, 355, 356,
       357, 359, 360, 361,
 &end
#
#   44 VAL  MGX          45 ARG  HN          3.50    (#     31:10  Unique         3.29, 4.55 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  120 TRP  HA           90 VAL  HN          3.50    (#     34:10  Unique         2.29, 2.36 A)
 &rst
  ixpk= 34, nxpk= 10, iat=1819,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 HIS  HA           90 VAL  HN          2.80    (#     35:10  Unique         2.30, 2.33 A)
 &rst
  ixpk= 35, nxpk= 10, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  120 TRP  HB+          90 VAL  HN          3.50    (#     36:10  Unique         3.56, 3.86 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1821,1822,
 &end
#
#   90 VAL  HB           90 VAL  HN          3.50    (#     37:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 37, nxpk= 10, iat=1355,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 VAL  MGX          90 VAL  HN          3.50    (#     38:10  Unique         2.55, 4.10 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   90 VAL  MGY          90 VAL  HN          3.50    (#     39:10  Unique         2.55, 4.10 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   75 GLY  HN           74 LEU  HN          3.50    (#     40:10  Unique         2.34, 2.39 A)
 &rst
  ixpk= 40, nxpk= 10, iat=1122,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  HB2          74 LEU  HN          3.50    (#     41:10  Unique         2.46, 2.47 A)
 &rst
  ixpk= 41, nxpk= 10, iat=1107,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  MDY          74 LEU  HN          4.50    (#     42:10  Unique         3.47, 4.48 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   74 LEU  HA           74 LEU  HN          4.50    (#     44:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1105,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 CYS  HA           74 LEU  HN          2.80    (#     45:10  Unique         2.18, 2.19 A)
 &rst
  ixpk= 45, nxpk= 10, iat=1094,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:46      74 LEU  HN          3.50    (#     46:10  Single Ambig)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1108, 389,
 &end
#
#   74 LEU  HG           74 LEU  HN          3.50    (#     47:10  Unique         2.48, 2.52 A)
 &rst
  ixpk= 47, nxpk= 10, iat=1110,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:48      74 LEU  HN          4.50    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 378, 379, 380,
 &end
#
#    0 AMB  10-2:49      74 LEU  HN          3.50    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
      1117,1118,
 &end
#
#   26 ARG  HN           74 LEU  HN          4.50    (#     51:10  Unique         3.39, 3.45 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 384,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 ALA  HA            4 ALA  HN          3.50    (#     57:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  49,  47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 VAL  HA            4 ALA  HN          2.80    (#     58:10  Unique         2.18, 2.27 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  33,  47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 ALA  MB            4 ALA  HN          3.50    (#     59:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  10-2:60       4 ALA  HN          4.50    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#    0 AMB  10-2:61       4 ALA  HN          5.50    (#     61:10  Single Ambig)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  31,  57,
 &end
#
#    0 AMB  10-2:62       4 ALA  HN          4.50    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 466, 467,  35,
 &end
#
#   73 CYS  HA           26 ARG  HN          5.50    (#     70:10  Unique         3.38, 3.48 A)
 &rst
  ixpk= 70, nxpk= 10, iat=1094, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:71      26 ARG  HN          3.50    (#     71:10  Single Ambig)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 388, 617, 618,
 &end
#
#   74 LEU  HG           26 ARG  HN          3.50    (#     72:10  Unique         2.78, 2.86 A)
 &rst
  ixpk= 72, nxpk= 10, iat=1110, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  HN           26 ARG  HN          5.50    (#     74:10  Unique         3.39, 3.45 A)
 &rst
  ixpk= 74, nxpk= 10, iat=1103, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 GLU  HN           26 ARG  HN          3.50    (#     75:10  Unique         2.82, 2.90 A)
 &rst
  ixpk= 75, nxpk= 10, iat=1077, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:77      26 ARG  HN          3.50    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 378, 379, 380, 391, 392, 414, 415, 416, 418, 419,
       420, 336, 337, 338, 340, 341, 342,
 &end
#
#    0 AMB  10-2:78      26 ARG  HN          3.50    (#     78:10  Single Ambig)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
       360, 361,
 &end
#
#   26 ARG  HA           26 ARG  HN          4.50    (#     79:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 79, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ARG  HB3          26 ARG  HN          3.50    (#     80:10  Unique         2.30, 2.40 A)
 &rst
  ixpk= 80, nxpk= 10, iat= 389, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 LEU  MDY          26 ARG  HN          4.50    (#     81:10  Unique         3.85, 4.78 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   51 GLU  HA           51 GLU  HN          3.50    (#     82:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:83      51 GLU  HN          2.80    (#     83:10  Single Ambig)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 772, 773, 775, 776,
 &end
#
#   52 TYR  HN           51 GLU  HN          3.50    (#     85:10  Unique         2.72, 2.76 A)
 &rst
  ixpk= 85, nxpk= 10, iat= 783, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 ALA  HA           51 GLU  HN          2.80    (#     86:10  Unique         2.32, 2.34 A)
 &rst
  ixpk= 86, nxpk= 10, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:87      51 GLU  HN          3.50    (#     87:10  Single Ambig)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773, 775, 776,
 &end
#
#    0 AMB  10-2:88      51 GLU  HN          4.50    (#     88:10  Single Ambig)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 762, 763, 764, 849, 850, 851,
 &end
#
#    0 AMB  10-2:89      51 GLU  HN          5.50    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 753, 831,
 &end
#
#    0 AMB  10-2:90      25 ILE  HN          5.50    (#     90:10  Single Ambig)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 635, 636, 923, 924, 925, 927, 928, 929,
 &end
#
#   41 LYS  HN           27 VAL  HN          3.50    (#     92:10  Unique         2.65, 2.68 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 588, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:93      27 VAL  HN          4.50    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 617, 618, 614, 615,1081,1082,
 &end
#
#    0 AMB  10-2:94      27 VAL  HN          4.50    (#     94:10  Single Ambig)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 631, 632, 633, 130, 131, 132,1112,1113,1114,1116,
      1117,1118, 123, 124, 125,
 &end
#
#   42 GLU  HA           27 VAL  HN          3.50    (#     95:10  Unique         3.33, 3.42 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 612, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ARG  HA           27 VAL  HN          2.80    (#     96:10  Unique         2.24, 2.27 A)
 &rst
  ixpk= 96, nxpk= 10, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 VAL  HA           27 VAL  HN          4.50    (#     97:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ARG  HG+          27 VAL  HN          3.50    (#     99:10  Unique         2.47, 2.81 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#   43 ILE  HN           25 ILE  HN          3.50    (#    101:10  Unique         2.86, 2.92 A)
 &rst
  ixpk= 101, nxpk= 10, iat= 625, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LEU  HA           25 ILE  HN          2.80    (#    103:10  Unique         2.26, 2.27 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:104     25 ILE  HN          3.50    (#    104:10  Single Ambig)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 375, 376, 369,
 &end
#
#    0 AMB  10-2:105     25 ILE  HN          3.50    (#    105:10  Single Ambig)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 635, 636, 353,
 &end
#
#   43 ILE  HG1+         25 ILE  HN          4.50    (#    106:10  Unique         3.16, 3.52 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 635, 636,
 &end
#
#    0 AMB  10-2:107     25 ILE  HN          2.80    (#    107:10  Single Ambig)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 371, 372, 373, 355, 356, 357, 359, 360, 361,
 &end
#
#   29 SER  HA           30 ALA  HN          2.80    (#    113:10  Unique         2.34, 2.59 A)
 &rst
  ixpk= 113, nxpk= 10, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 SER  HB+          30 ALA  HN          5.50    (#    114:10  Unique         1.93, 4.09 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    0 AMB  10-2:115     30 ALA  HN          5.50    (#    115:10  Single Ambig)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 441,  69,
 &end
#
#    0 AMB  10-2:116     30 ALA  HN          2.80    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 456, 457, 458, 522, 523, 524, 546, 547, 548,
 &end
#
#    0 AMB  10-2:117     13 ASP  HN          4.50    (#    117:10  Single Ambig)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 190, 162,
 &end
#
#   45 ARG  HE           13 ASP  HN          3.50    (#    119:10  Unique         2.40, 2.67 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 673, 178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:120     13 ASP  HN          4.50    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 662, 192,
 &end
#
#   13 ASP  HA           13 ASP  HN          4.50    (#    121:10  Unique         2.86, 2.88 A)
 &rst
  ixpk= 121, nxpk= 10, iat= 180, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HA           13 ASP  HN          2.80    (#    122:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 164, 178, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 ASP  HB2          13 ASP  HN          4.50    (#    123:10  Unique         3.49, 3.54 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 182, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 VAL  MGY          13 ASP  HN          4.50    (#    124:10  Unique         3.94, 5.77 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  10-2:125     13 ASP  HN          3.50    (#    125:10  Single Ambig)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 168, 169, 170, 172, 173, 174, 200, 201,
 &end
#
#    0 AMB  10-2:126     13 ASP  HN          3.50    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 168, 169, 170, 172, 173, 174, 196, 197, 198, 650,
       651, 652, 654, 655, 656,
 &end
#
#   13 ASP  HB3          13 ASP  HN          4.50    (#    127:10  Unique         3.02, 3.07 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 183, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:128     13 ASP  HN          4.50    (#    128:10  Single Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 648, 629,
 &end
#
#    0 AMB  10-2:131    100 ALA  HN          4.50    (#    131:10  Single Ambig)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1533, 319, 324,
 &end
#
#   99 PRO  HA          100 ALA  HN          3.50    (#    133:10  Unique         2.15, 2.17 A)
 &rst
  ixpk= 133, nxpk= 10, iat=1492,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ALA  HA          100 ALA  HN          3.50    (#    134:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 134, nxpk= 10, iat=1498,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ALA  MB          100 ALA  HN          2.80    (#    135:10  Unique         2.25, 2.86 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1500,1501,1502,
 &end
#
#   76 GLY  HN          100 ALA  HN          4.50    (#    136:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 136, nxpk= 10, iat=1129,1496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 CYS  HB-          73 CYS  HN          4.50    (#    139:10  Unique         2.90, 3.28 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  10-2:140     73 CYS  HN          3.50    (#    140:10  Single Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1081,1082,
 &end
#
#   24 LEU  HA           24 LEU  HN          4.50    (#    141:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 141, nxpk= 10, iat= 348, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 VAL  HA           24 LEU  HN          2.80    (#    143:10  Unique         2.32, 2.35 A)
 &rst
  ixpk= 143, nxpk= 10, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 GLY  HA+          24 LEU  HN          4.50    (#    144:10  Unique         3.02, 3.52 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    0 AMB  10-2:145     24 LEU  HN          4.50    (#    145:10  Single Ambig)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1096,1097, 334,
 &end
#
#   24 LEU  HB+          24 LEU  HN          3.50    (#    146:10  Unique         2.50, 2.72 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#   24 LEU  HB-          24 LEU  HN          3.50    (#    147:10  Unique         2.50, 2.72 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 350, 351,
 &end
#
#    0 AMB  10-2:148     24 LEU  HN          3.50    (#    148:10  Single Ambig)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#    0 AMB  10-2:149     24 LEU  HN          3.50    (#    149:10  Single Ambig)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  10-2:151    102 HIS  HN          4.50    (#    151:10  Single Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1836,1533, 319, 324,
 &end
#
#  102 HIS  HB3         102 HIS  HN          4.50    (#    152:10  Unique         3.58, 3.59 A)
 &rst
  ixpk= 152, nxpk= 10, iat=1528,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:153    102 HIS  HN          4.50    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1510,1511,1554,1355,
 &end
#
#  103 ALA  MB          102 HIS  HN          5.50    (#    154:10  Unique         5.02, 5.58 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1544,1545,1546,
 &end
#
#    0 AMB  10-2:155    102 HIS  HN          4.50    (#    155:10  Single Ambig)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
 &end
#
#    0 AMB  10-2:159    102 HIS  HN          2.80    (#    159:10  Single Ambig)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1508,1525,
 &end
#
#  102 HIS  HB2         102 HIS  HN          3.50    (#    160:10  Unique         2.61, 2.63 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1527,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 ALA  HN          102 HIS  HN          4.50    (#    161:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 161, nxpk= 10, iat=1540,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ALA  HN            6 LEU  HN          3.50    (#    162:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  88,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ASP  HA            6 LEU  HN          2.80    (#    164:10  Unique         2.32, 2.37 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  59,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:165      6 LEU  HN          3.50    (#    165:10  Single Ambig)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  71, 463, 464,
 &end
#
#    6 LEU  HB2           6 LEU  HN          2.80    (#    166:10  Unique         2.35, 2.44 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  73,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 LEU  HG            6 LEU  HN          2.80    (#    167:10  Unique         2.30, 2.34 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  76,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 LEU  HB3           6 LEU  HN          3.50    (#    168:10  Unique         3.52, 3.55 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  74,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LEU  MDY           6 LEU  HN          4.50    (#    169:10  Unique         3.13, 4.33 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    5 ASP  HB+           6 LEU  HN          5.50    (#    170:10  Unique         3.83, 3.92 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    5 ASP  HB-           6 LEU  HN          5.50    (#    171:10  Unique         3.83, 3.92 A)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  61,  62,
 &end
#
#    6 LEU  MDX           6 LEU  HN          4.50    (#    172:10  Unique         3.13, 4.33 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   52 TYR  HA           53 HIS  HN          4.50    (#    175:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 785, 804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 HIS  HB-          53 HIS  HN          7.00    (#    177:10  Unique         2.67, 3.16 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 808, 809,
 &end
#
#   53 HIS  HA           53 HIS  HN          5.50    (#    178:10  Unique         2.76, 2.78 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLY  HA+          35 ALA  HN          4.50    (#    185:10  Unique         2.62, 3.32 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 513, 514,
 &end
#
#   34 GLY  HA-          35 ALA  HN          4.50    (#    186:10  Unique         2.62, 3.32 A)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 513, 514,
 &end
#
#    0 AMB  10-2:187     35 ALA  HN          4.50    (#    187:10  Single Ambig)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 463, 464, 529, 530,
 &end
#
#    0 AMB  10-2:188     35 ALA  HN          2.80    (#    188:10  Single Ambig)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 522, 523, 524, 456, 457, 458,
 &end
#
#    0 AMB  10-2:193     38 ALA  HN          3.50    (#    193:10  Single Ambig)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 544, 554,
 &end
#
#   38 ALA  MB           38 ALA  HN          3.50    (#    194:10  Unique         2.83, 3.38 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 556, 557, 558,
 &end
#
#   52 TYR  HB+          54 ALA  HN          4.50    (#    200:10  Unique         2.64, 3.59 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#   53 HIS  HB+          54 ALA  HN          4.50    (#    201:10  Unique         2.82, 3.55 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 808, 809,
 &end
#
#    0 AMB  10-2:205     82 GLN  HN          3.50    (#    205:10  Single Ambig)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1199,1216,
 &end
#
#   82 GLN  HG+          82 GLN  HN          4.50    (#    206:10  Unique         2.48, 3.63 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,
 &end
#
#    0 AMB  10-2:207     82 GLN  HN          2.80    (#    207:10  Single Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1218,1219,1218,1219,
 &end
#
#   27 VAL  HA           28 HIS  HN          2.80    (#    209:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 HIS  HB3          28 HIS  HN          4.50    (#    210:10  Unique         3.58, 3.64 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 429, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 HIS  HB2          28 HIS  HN          3.50    (#    211:10  Unique         2.35, 2.47 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 428, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:213     28 HIS  HN          4.50    (#    213:10  Single Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054, 452,
 &end
#
#   28 HIS  HD2          28 HIS  HN          5.50    (#    214:10  Unique         3.09, 3.16 A)
 &rst
  ixpk= 214, nxpk= 10, iat= 437, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 CYS  HA           28 HIS  HN          5.50    (#    215:10  Unique         3.49, 3.56 A)
 &rst
  ixpk= 215, nxpk= 10, iat=1068, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 HIS  HA           28 HIS  HN          4.50    (#    216:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:217     28 HIS  HN          3.50    (#    217:10  Single Ambig)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 414, 415, 416, 418, 419, 420, 391, 392,
 &end
#
#   64 MET  HN           63 ASP  HN          3.50    (#    218:10  Unique         2.60, 2.64 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLY  HN           63 ASP  HN          3.50    (#    220:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HA           63 ASP  HN          2.80    (#    221:10  Unique         2.87, 2.87 A)
 &rst
  ixpk= 221, nxpk= 10, iat= 953, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 GLY  HA+          63 ASP  HN          3.50    (#    222:10  Unique         2.84, 3.24 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 946, 947,
 &end
#
#    0 AMB  10-2:223     63 ASP  HN          3.50    (#    223:10  Single Ambig)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 946, 947, 919,
 &end
#
#   63 ASP  HB3          63 ASP  HN          2.80    (#    224:10  Unique         2.54, 2.58 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 956, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 ASP  HB2          63 ASP  HN          2.80    (#    225:10  Unique         2.58, 2.60 A)
 &rst
  ixpk= 225, nxpk= 10, iat= 955, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 ASP  HN           54 ALA  HN          4.50    (#    226:10  Unique         2.75, 2.77 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 831, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 TYR  HE           54 ALA  HN          5.50    (#    227:10  Unique         3.31, 5.22 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1469,
 &end
#
#   54 ALA  MB           54 ALA  HN          2.80    (#    229:10  Unique         2.51, 2.89 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 825, 826, 827,
 &end
#
#    0 AMB  10-2:230     54 ALA  HN          4.50    (#    230:10  Single Ambig)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1448,1449,1450, 762, 763, 764, 336, 337, 338, 340,
       341, 342, 336, 337, 338, 340, 341, 342,
 &end
#
#   52 TYR  HB-          54 ALA  HN          4.50    (#    232:10  Unique         2.64, 3.59 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#   53 HIS  HB-          54 ALA  HN          5.50    (#    233:10  Unique         2.82, 3.55 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 808, 809,
 &end
#
#   94 SER  HA           54 ALA  HN          7.00    (#    234:10  Unique         6.72, 6.91 A)
 &rst
  ixpk= 234, nxpk= 10, iat=1418, 821, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   96 ALA  MB           96 ALA  HN          4.50    (#    235:10  Unique         2.45, 3.12 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1448,1449,1450,
 &end
#
#    8 LEU  HA            9 ILE  HN          4.50    (#    242:10  Unique         3.49, 3.52 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 100, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ILE  HA            9 ILE  HN          3.50    (#    243:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 243, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:244      9 ILE  HN          4.50    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  90, 137, 138,
 &end
#
#    6 LEU  HA            9 ILE  HN          5.50    (#    245:10  Unique         3.29, 3.42 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  71, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ILE  HB            9 ILE  HN          2.80    (#    246:10  Unique         2.32, 2.41 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ILE  HG1+          9 ILE  HN          3.50    (#    248:10  Unique         2.14, 2.85 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#    0 AMB  10-2:249      9 ILE  HN          3.50    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 130, 131, 132, 123, 124, 125, 107, 108, 109, 111,
       112, 113,
 &end
#
#    9 ILE  HG1-          9 ILE  HN          3.50    (#    251:10  Unique         2.14, 2.85 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 128,
 &end
#
#    0 AMB  10-2:253     50 ALA  HN          3.50    (#    253:10  Single Ambig)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 760, 736,
 &end
#
#   56 ILE  QD1          50 ALA  HN          4.50    (#    255:10  Unique         4.77, 5.82 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 856, 857, 858,
 &end
#
#   90 VAL  MGY          91 TYR  HN          5.50    (#    256:10  Unique         2.87, 4.55 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  10-2:257     91 TYR  HN          5.50    (#    257:10  Single Ambig)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1147,1148,1177,1178,1173,1174,1175,
 &end
#
#   78 ARG  HN           91 TYR  HN          3.50    (#    258:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 258, nxpk= 10, iat=1143,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LYS  HN           65 GLN  HN          3.50    (#    260:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 997, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HB2          65 GLN  HN          3.50    (#    261:10  Unique         2.53, 2.55 A)
 &rst
  ixpk= 261, nxpk= 10, iat= 967, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 TRP  HZ3          50 ALA  HN          4.50    (#    267:10  Unique         4.53, 4.54 A)
 &rst
  ixpk= 267, nxpk= 10, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 TYR  HE           91 TYR  HN          4.50    (#    269:10  Unique         4.11, 5.31 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1377,1382,
 &end
#
#   91 TYR  HD           91 TYR  HN          3.50    (#    271:10  Unique         2.09, 3.73 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1375,1384,
 &end
#
#   90 VAL  HA           91 TYR  HN          2.80    (#    273:10  Unique         2.23, 2.25 A)
 &rst
  ixpk= 273, nxpk= 10, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   90 VAL  MGX          91 TYR  HN          3.50    (#    274:10  Unique         2.87, 4.55 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   64 MET  HN           65 GLN  HN          3.50    (#    276:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:278     65 GLN  HN          2.80    (#    278:10  Single Ambig)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 965,
 &end
#
#   65 GLN  HG+          65 GLN  HN          3.50    (#    279:10  Unique         2.49, 3.16 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#    0 AMB  10-2:280     65 GLN  HN          4.50    (#    280:10  Single Ambig)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1047,1026,1027,
 &end
#
#   65 GLN  HB2          65 GLN  HN          3.50    (#    281:10  Unique         2.25, 2.26 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 984, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLN  HG-          65 GLN  HN          3.50    (#    282:10  Unique         2.49, 3.16 A)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#   64 MET  HB3          65 GLN  HN          4.50    (#    283:10  Unique         3.61, 3.62 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 HIS  HN           70 ASP  HN          4.50    (#    284:10  Unique         2.71, 2.83 A)
 &rst
  ixpk= 284, nxpk= 10, iat= 424,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HA           70 ASP  HN          3.50    (#    285:10  Unique         2.94, 2.94 A)
 &rst
  ixpk= 285, nxpk= 10, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 HIS  HB2          70 ASP  HN          4.50    (#    286:10  Unique         2.71, 3.13 A)
 &rst
  ixpk= 286, nxpk= 10, iat= 428,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 CYS  HB3          70 ASP  HN          3.50    (#    287:10  Unique         2.09, 2.11 A)
 &rst
  ixpk= 287, nxpk= 10, iat=1048,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:288     70 ASP  HN          3.50    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1058,1059,1047,
 &end
#
#   36 PRO  HA           37 ALA  HN          3.50    (#    291:10  Unique         2.54, 3.29 A)
 &rst
  ixpk= 291, nxpk= 10, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:292     37 ALA  HN          3.50    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 546, 547, 548, 522, 523, 524,
 &end
#
#  107 GLU  HA          107 GLU  HN          2.80    (#    299:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 299, nxpk= 10, iat=1596,1594, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:300    107 GLU  HN          5.50    (#    300:10  Single Ambig)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1616,1617,1660,1661,1657,1658,1635,1619,1620,1614,
      
 &end
#
#  106 THR  HN          107 GLU  HN          3.50    (#    301:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 301, nxpk= 10, iat=1580,1594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 ILE  HA          107 GLU  HN          4.50    (#    302:10  Unique         3.45, 3.75 A)
 &rst
  ixpk= 302, nxpk= 10, iat=1552,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 GLU  HG+         107 GLU  HN          3.50    (#    303:10  Unique         2.42, 3.05 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#  107 GLU  HG-         107 GLU  HN          3.50    (#    304:10  Unique         2.42, 3.05 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#  107 GLU  HB+         107 GLU  HN          2.80    (#    305:10  Unique         2.32, 2.98 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1598,1599,
 &end
#
#  106 THR  MG2         107 GLU  HN          4.50    (#    306:10  Unique         4.74, 5.08 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1586,1587,1588,
 &end
#
#    0 AMB  10-2:308     70 ASP  HN          2.80    (#    308:10  Single Ambig)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1045, 410,
 &end
#
#   70 ASP  HB+          70 ASP  HN          3.50    (#    309:10  Unique         2.69, 3.02 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058,1059,
 &end
#
#  104 ILE  HN          103 ALA  HN          3.50    (#    310:10  Unique         2.72, 2.75 A)
 &rst
  ixpk= 310, nxpk= 10, iat=1550,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 HIS  HN          103 ALA  HN          4.50    (#    311:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 311, nxpk= 10, iat=1523,1540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:313    103 ALA  HN          4.50    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1508,1525,
 &end
#
#    0 AMB  10-2:314    103 ALA  HN          3.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1542,1821,1822,
 &end
#
#   79 ILE  HB           79 ILE  HN          3.50    (#    318:10  Unique         2.37, 2.43 A)
 &rst
  ixpk= 318, nxpk= 10, iat=1171,1167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ARG  HG+          79 ILE  HN          3.50    (#    321:10  Unique         2.30, 2.88 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1150,1151,
 &end
#
#  114 PRO  HA          115 ASP  HN          3.50    (#    323:10  Unique         2.12, 3.22 A)
 &rst
  ixpk= 323, nxpk= 10, iat=1735,1739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ARG  HA           32 ARG  HN          5.50    (#    328:10  Unique         2.24, 2.54 A)
 &rst
  ixpk= 328, nxpk= 10, iat= 478, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 PRO  HA           32 ARG  HN          3.50    (#    329:10  Unique         2.18, 2.66 A)
 &rst
  ixpk= 329, nxpk= 10, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ARG  HG+          32 ARG  HN          5.50    (#    330:10  Unique         2.51, 3.79 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 483, 484,
 &end
#
#    0 AMB  10-2:331     32 ARG  HN          4.50    (#    331:10  Single Ambig)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 480, 481, 469, 470,
 &end
#
#   32 ARG  HB-          32 ARG  HN          4.50    (#    332:10  Unique         2.71, 3.41 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#   20 PHE  HA           20 PHE  HN          3.50    (#    333:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 269, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 VAL  MG1          20 PHE  HN          3.50    (#    334:10  Unique         2.93, 3.76 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 257, 258, 259,
 &end
#
#   79 ILE  HN           20 PHE  HN          3.50    (#    335:10  Unique         2.95, 3.05 A)
 &rst
  ixpk= 335, nxpk= 10, iat=1167, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 VAL  HA           20 PHE  HN          2.80    (#    337:10  Unique         2.24, 2.25 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  124 GLY  HA+         125 TYR  HN          3.50    (#    339:10  Unique         2.36, 2.58 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1879,1880,
 &end
#
#  124 GLY  HA+         125 TYR  HN          4.50    (#    344:10  Unique         2.36, 2.58 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1879,1880,
 &end
#
#   91 TYR  HE          125 TYR  HN          4.50    (#    346:10  Unique         3.33, 5.29 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1377,1382,
 &end
#
#    0 AMB  10-2:347    125 TYR  HN          4.50    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1886,1390,1391,
 &end
#
#  124 GLY  HA-         125 TYR  HN          3.50    (#    348:10  Unique         2.36, 2.58 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1879,1880,
 &end
#
#  125 TYR  HB+         125 TYR  HN          4.50    (#    349:10  Unique         2.89, 3.38 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1888,1889,
 &end
#
#    0 AMB  10-2:350    125 TYR  HN          4.50    (#    350:10  Single Ambig)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1888,1889,1371,1372,
 &end
#
#    0 AMB  10-2:351    121 ALA  HN          5.50    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1344,1834,
 &end
#
#   91 TYR  HA          121 ALA  HN          4.50    (#    352:10  Unique         2.98, 3.11 A)
 &rst
  ixpk= 352, nxpk= 10, iat=1369,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  120 TRP  HB+         121 ALA  HN          2.80    (#    354:10  Unique         2.23, 3.07 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1821,1822,
 &end
#
#  120 TRP  HZ3         121 ALA  HN          5.50    (#    355:10  Unique         5.30, 5.38 A)
 &rst
  ixpk= 355, nxpk= 10, iat=1834,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 TRP  HA          121 ALA  HN          2.80    (#    356:10  Unique         2.31, 2.38 A)
 &rst
  ixpk= 356, nxpk= 10, iat=1819,1841, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  121 ALA  HA          121 ALA  HN          4.50    (#    357:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 357, nxpk= 10, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 ALA  MB          121 ALA  HN          3.50    (#    358:10  Unique         2.92, 3.44 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#   43 ILE  HG1-         44 VAL  HN          5.50    (#    366:10  Unique         3.78, 4.32 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 636,
 &end
#
#   44 VAL  MGY          44 VAL  HN          3.50    (#    368:10  Unique         2.72, 4.10 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  10-2:369     44 VAL  HN          3.50    (#    369:10  Single Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 631, 632, 633, 355, 356, 357, 359, 360, 361, 371,
       372, 373,
 &end
#
#    0 AMB  10-2:370     44 VAL  HN          4.50    (#    370:10  Single Ambig)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 638, 639, 640,1641,1642,
 &end
#
#  108 LYS  HN          109 ILE  HN          3.50    (#    372:10  Unique         2.71, 2.78 A)
 &rst
  ixpk= 372, nxpk= 10, iat=1609,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:373    109 ILE  HN          2.80    (#    373:10  Single Ambig)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1641,1642,1613,
 &end
#
#    0 AMB  10-2:374    109 ILE  HN          2.80    (#    374:10  Single Ambig)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1635,1614,
 &end
#
#    0 AMB  10-2:375    109 ILE  HN          3.50    (#    375:10  Single Ambig)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
      1798,1799,1793,1794,1795,1797,1798,1799,
 &end
#
#  109 ILE  HG1-        109 ILE  HN          3.50    (#    376:10  Unique         2.35, 3.12 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1641,1642,
 &end
#
#  109 ILE  QD1         109 ILE  HN          3.50    (#    377:10  Unique         3.68, 4.35 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1644,1645,1646,
 &end
#
#  110 LYS  HN          109 ILE  HN          3.50    (#    378:10  Unique         2.77, 2.80 A)
 &rst
  ixpk= 378, nxpk= 10, iat=1650,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:379    109 ILE  HN          3.50    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
       655, 656,
 &end
#
#    0 AMB  10-2:380    109 ILE  HN          3.50    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1633,1582,
 &end
#
#   44 VAL  MGY         109 ILE  HN          5.50    (#    381:10  Unique         3.99, 5.53 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   58 ASP  HB+          58 ASP  HN          2.80    (#    384:10  Unique         2.45, 2.51 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   57 TYR  HN           58 ASP  HN          3.50    (#    385:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 862, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:386     58 ASP  HN          2.80    (#    386:10  Single Ambig)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 895, 870, 879,
 &end
#
#   55 ASP  HA           58 ASP  HN          5.50    (#    387:10  Unique         3.68, 3.72 A)
 &rst
  ixpk= 387, nxpk= 10, iat= 833, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           58 ASP  HN          2.80    (#    388:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 388, nxpk= 10, iat= 885, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 TYR  HA           58 ASP  HN          4.50    (#    389:10  Unique         3.62, 3.63 A)
 &rst
  ixpk= 389, nxpk= 10, iat= 864, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 TYR  HB3          58 ASP  HN          3.50    (#    390:10  Unique         2.53, 2.61 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 867, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 TYR  HB2          58 ASP  HN          4.50    (#    391:10  Unique         3.93, 3.99 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HB-          58 ASP  HN          3.50    (#    392:10  Unique         2.45, 2.51 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:393     58 ASP  HN          4.50    (#    393:10  Single Ambig)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 825, 826, 827, 902, 903,
 &end
#
#   45 ARG  HE           44 VAL  HN          4.50    (#    394:10  Unique         3.30, 3.58 A)
 &rst
  ixpk= 394, nxpk= 10, iat= 673, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ILE  HA           44 VAL  HN          2.80    (#    395:10  Unique         2.24, 2.28 A)
 &rst
  ixpk= 395, nxpk= 10, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:397     44 VAL  HN          2.80    (#    397:10  Single Ambig)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 648, 629,
 &end
#
#    0 AMB  10-2:398     44 VAL  HN          3.50    (#    398:10  Single Ambig)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 164, 152,
 &end
#
#    0 AMB  10-2:399     44 VAL  HN          3.50    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
       173, 174,
 &end
#
#   20 PHE  HB-          21 LYS  HN          3.50    (#    400:10  Unique         2.37, 3.11 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 271, 272,
 &end
#
#   20 PHE  HA           21 LYS  HN          2.80    (#    402:10  Unique         2.46, 2.48 A)
 &rst
  ixpk= 402, nxpk= 10, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 PHE  HB+          21 LYS  HN          4.50    (#    403:10  Unique         2.37, 3.11 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 271, 272,
 &end
#
#   21 LYS  HB2          21 LYS  HN          3.50    (#    405:10  Unique         2.45, 2.59 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 291, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 ILE  HB           21 LYS  HN          5.50    (#    407:10  Unique         5.38, 5.43 A)
 &rst
  ixpk= 407, nxpk= 10, iat=1171, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 LYS  HB3          21 LYS  HN          4.50    (#    408:10  Unique         3.64, 3.68 A)
 &rst
  ixpk= 408, nxpk= 10, iat= 292, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 GLU  HG+          39 GLU  HN          3.50    (#    409:10  Unique         2.58, 3.26 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 569, 570,
 &end
#
#    0 AMB  10-2:412     39 GLU  HN          3.50    (#    412:10  Single Ambig)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 564, 443,
 &end
#
#    0 AMB  10-2:413     39 GLU  HN          2.80    (#    413:10  Single Ambig)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 554, 544,
 &end
#
#   39 GLU  HB+          39 GLU  HN          3.50    (#    414:10  Unique         2.40, 3.04 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#   39 GLU  HB-          39 GLU  HN          3.50    (#    415:10  Unique         2.40, 3.04 A)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#   38 ALA  MB           39 GLU  HN          4.50    (#    416:10  Unique         4.20, 4.49 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 556, 557, 558,
 &end
#
#    0 AMB  10-2:417    110 LYS  HN          3.50    (#    417:10  Single Ambig)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#  111 ALA  HN          110 LYS  HN          3.50    (#    418:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 418, nxpk= 10, iat=1672,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 GLU  HA          110 LYS  HN          4.50    (#    419:10  Unique         3.61, 3.80 A)
 &rst
  ixpk= 419, nxpk= 10, iat=1596,1650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HA          110 LYS  HN          3.50    (#    420:10  Unique         2.84, 2.86 A)
 &rst
  ixpk= 420, nxpk= 10, iat=1652,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:421    110 LYS  HN          4.50    (#    421:10  Single Ambig)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1582,1633,
 &end
#
#  110 LYS  HB+         110 LYS  HN          2.80    (#    422:10  Unique         2.37, 3.03 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1654,1655,
 &end
#
#  110 LYS  HB-         110 LYS  HN          2.80    (#    423:10  Unique         2.37, 3.03 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1654,1655,
 &end
#
#    0 AMB  10-2:424    110 LYS  HN          2.80    (#    424:10  Single Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1657,1658,1635,
 &end
#
#  109 ILE  HN          110 LYS  HN          3.50    (#    425:10  Unique         2.77, 2.80 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1631,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 LYS  HG-         110 LYS  HN          3.50    (#    428:10  Unique         2.43, 3.07 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1657,1658,
 &end
#
#   58 ASP  HB-          59 LYS  HN          3.50    (#    429:10  Unique         2.51, 3.21 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#   60 VAL  HN           59 LYS  HN          3.50    (#    430:10  Unique         2.81, 2.83 A)
 &rst
  ixpk= 430, nxpk= 10, iat= 917, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HB+          59 LYS  HN          3.50    (#    431:10  Unique         2.51, 3.21 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#   19 VAL  MG2          19 VAL  HN          3.50    (#    432:10  Unique         2.28, 3.84 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 261, 262, 263,
 &end
#
#   19 VAL  MG1          19 VAL  HN          4.50    (#    433:10  Unique         4.44, 4.75 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 257, 258, 259,
 &end
#
#   19 VAL  HA           19 VAL  HN          4.50    (#    435:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 435, nxpk= 10, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 VAL  HB           19 VAL  HN          3.50    (#    438:10  Unique         2.47, 2.81 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 255, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           59 LYS  HN          3.50    (#    439:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 439, nxpk= 10, iat= 883, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:441     59 LYS  HN          2.80    (#    441:10  Single Ambig)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 897, 885,
 &end
#
#   59 LYS  HB+          59 LYS  HN          2.80    (#    442:10  Unique         2.32, 2.47 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#    0 AMB  10-2:443     59 LYS  HN          4.50    (#    443:10  Single Ambig)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 902, 903, 825, 826, 827,
 &end
#
#    6 LEU  HN            7 ALA  HN          3.50    (#    444:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  69,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:446      7 ALA  HN          3.50    (#    446:10  Single Ambig)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  98, 117,
 &end
#
#    5 ASP  HA            7 ALA  HN          4.50    (#    447:10  Unique         4.31, 4.33 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  59,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ALA  HA            7 ALA  HN          2.80    (#    448:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  90,  88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 LEU  HA            7 ALA  HN          5.50    (#    449:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  71,  88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:450      7 ALA  HN          3.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  73, 102, 103,
 &end
#
#    0 AMB  10-2:451      7 ALA  HN          4.50    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128, 598, 599,
 &end
#
#    7 ALA  MB            7 ALA  HN          2.80    (#    452:10  Unique         2.48, 2.88 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  92,  93,  94,
 &end
#
#    6 LEU  HB3           7 ALA  HN          4.50    (#    453:10  Unique         3.70, 3.81 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  74,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 GLU  HB-          42 GLU  HN          3.50    (#    454:10  Unique         2.33, 3.09 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 614, 615,
 &end
#
#    0 AMB  10-2:455     42 GLU  HN          5.50    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 631, 632, 633,1556,1557,1558,1563,1564,1565, 355,
       356, 357, 359, 360, 361,  78,  79,  80,  82,  83,
        84,
 &end
#
#   42 GLU  HA           42 GLU  HN          3.50    (#    457:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LYS  HA           42 GLU  HN          2.80    (#    458:10  Unique         2.46, 2.48 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 590, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 GLU  HG+          42 GLU  HN          4.50    (#    459:10  Unique         3.94, 4.27 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#    0 AMB  10-2:460     42 GLU  HN          2.80    (#    460:10  Single Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 614, 615, 592, 593,
 &end
#
#    8 LEU  MDX           5 ASP  HN          5.50    (#    462:10  Unique         2.24, 4.53 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    5 ASP  HA            5 ASP  HN          3.50    (#    463:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  59,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ALA  HA            5 ASP  HN          2.80    (#    464:10  Unique         2.39, 2.60 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  49,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ASP  HB+           5 ASP  HN          3.50    (#    465:10  Unique         2.77, 3.11 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    5 ASP  HB-           5 ASP  HN          3.50    (#    466:10  Unique         2.77, 3.11 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  61,  62,
 &end
#
#    4 ALA  MB            5 ASP  HN          2.80    (#    467:10  Unique         2.12, 3.17 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#    2 ALA  HA            3 VAL  HN          2.80    (#    472:10  Unique         2.34, 2.47 A)
 &rst
  ixpk= 472, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 VAL  HA            3 VAL  HN          3.50    (#    473:10  Unique         2.85, 2.90 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  33,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 VAL  HB            3 VAL  HN          3.50    (#    474:10  Unique         2.46, 2.63 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            3 VAL  HN          3.50    (#    475:10  Unique         2.19, 3.28 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  25,  26,  27,
 &end
#
#    0 AMB  10-2:476      3 VAL  HN          2.80    (#    476:10  Single Ambig)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  37,  38,  39,  41,  42,  43,  37,  38,  39,  41,
        42,  43,
 &end
#
#    0 AMB  10-2:478    101 GLN  HN          3.50    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1508,1525,
 &end
#
#  101 GLN  HG+         101 GLN  HN          4.50    (#    479:10  Unique         2.65, 3.37 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1513,1514,
 &end
#
#  101 GLN  HB-         101 GLN  HN          2.80    (#    480:10  Unique         2.33, 3.01 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1510,1511,
 &end
#
#    0 AMB  10-2:481    101 GLN  HN          2.80    (#    481:10  Single Ambig)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 355, 356, 357, 359, 360, 361,1500,1501,1502,
 &end
#
#  100 ALA  HA          101 GLN  HN          2.80    (#    482:10  Unique         2.37, 2.44 A)
 &rst
  ixpk= 482, nxpk= 10, iat=1498,1506, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  101 GLN  HG-         101 GLN  HN          4.50    (#    483:10  Unique         2.65, 3.37 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1513,1514,
 &end
#
#  101 GLN  HB+         101 GLN  HN          3.50    (#    484:10  Unique         2.33, 3.01 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1510,1511,
 &end
#
#  118 VAL  MGX         119 THR  HN          3.50    (#    486:10  Unique         2.36, 4.30 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   89 HIS  HA          119 THR  HN          3.50    (#    487:10  Unique         2.24, 2.31 A)
 &rst
  ixpk= 487, nxpk= 10, iat=1336,1803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  118 VAL  HA          119 THR  HN          2.80    (#    488:10  Unique         2.32, 2.40 A)
 &rst
  ixpk= 488, nxpk= 10, iat=1789,1803, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  119 THR  HA          119 THR  HN          4.50    (#    489:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 489, nxpk= 10, iat=1805,1803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:490    119 THR  HN          3.50    (#    490:10  Single Ambig)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#   65 GLN  HN           64 MET  HN          3.50    (#    491:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 980, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HG-          64 MET  HN          3.50    (#    492:10  Unique         2.17, 2.92 A)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 970, 971,
 &end
#
#   63 ASP  HN           64 MET  HN          3.50    (#    494:10  Unique         2.60, 2.64 A)
 &rst
  ixpk= 494, nxpk= 10, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HA           64 MET  HN          3.50    (#    495:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 SER  HA           64 MET  HN          4.50    (#    496:10  Unique         2.97, 3.22 A)
 &rst
  ixpk= 496, nxpk= 10, iat= 935, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB3          64 MET  HN          3.50    (#    497:10  Unique         2.50, 2.59 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 956, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HG+          64 MET  HN          2.80    (#    498:10  Unique         2.17, 2.92 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 970, 971,
 &end
#
#   64 MET  HB2          64 MET  HN          3.50    (#    499:10  Unique         2.48, 2.54 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  ME           64 MET  HN          4.50    (#    500:10  Unique         3.00, 3.81 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#   63 ASP  HA           64 MET  HN          4.50    (#    501:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 501, nxpk= 10, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:502     64 MET  HN          4.50    (#    502:10  Single Ambig)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 923, 924, 925, 927, 928, 929, 378, 379, 380, 414,
       415, 416, 418, 419, 420,
 &end
#
#   77 GLY  HN           22 TYR  HN          4.50    (#    503:10  Unique         3.09, 3.18 A)
 &rst
  ixpk= 503, nxpk= 10, iat=1136, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HA           22 TYR  HN          2.80    (#    504:10  Unique         2.38, 2.42 A)
 &rst
  ixpk= 504, nxpk= 10, iat= 289, 309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 TYR  HE           22 TYR  HN          5.50    (#    506:10  Unique         5.23, 6.17 A)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 319, 324,
 &end
#
#   22 TYR  HA           22 TYR  HN          4.50    (#    507:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 507, nxpk= 10, iat= 311, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HB3          22 TYR  HN          4.50    (#    509:10  Unique         2.34, 2.41 A)
 &rst
  ixpk= 509, nxpk= 10, iat= 292, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 GLN  HB2          66 LYS  HN          4.50    (#    512:10  Unique         2.87, 2.98 A)
 &rst
  ixpk= 512, nxpk= 10, iat= 984, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LYS  HB+          66 LYS  HN          2.80    (#    513:10  Unique         2.25, 2.44 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1001,1002,
 &end
#
#    0 AMB  10-2:514     66 LYS  HN          4.50    (#    514:10  Single Ambig)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1004,1005,1007,1008,
 &end
#
#   65 GLN  HN           66 LYS  HN          3.50    (#    515:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 515, nxpk= 10, iat= 980, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLN  HN           66 LYS  HN          3.50    (#    516:10  Unique         2.69, 2.73 A)
 &rst
  ixpk= 516, nxpk= 10, iat=1019, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HA           66 LYS  HN          5.50    (#    517:10  Unique         3.05, 3.32 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 953, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:518     66 LYS  HN          4.50    (#    518:10  Single Ambig)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 982, 965,
 &end
#
#   66 LYS  HA           66 LYS  HN          3.50    (#    519:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 519, nxpk= 10, iat= 999, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLN  HB3          66 LYS  HN          4.50    (#    520:10  Unique         3.70, 3.75 A)
 &rst
  ixpk= 520, nxpk= 10, iat= 985, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LYS  HG-          66 LYS  HN          4.50    (#    521:10  Unique         4.37, 4.47 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1004,1005,
 &end
#
#  103 ALA  HN          104 ILE  HN          3.50    (#    522:10  Unique         2.72, 2.75 A)
 &rst
  ixpk= 522, nxpk= 10, iat=1540,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:524    104 ILE  HN          5.50    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1594,1609,1834,1832,
 &end
#
#    0 AMB  10-2:525    104 ILE  HN          4.50    (#    525:10  Single Ambig)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1525,1508,
 &end
#
#  104 ILE  HA          104 ILE  HN          3.50    (#    526:10  Unique         2.87, 2.87 A)
 &rst
  ixpk= 526, nxpk= 10, iat=1552,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:527    104 ILE  HN          2.80    (#    527:10  Single Ambig)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1554,1510,1511,
 &end
#
#  104 ILE  HG1+        104 ILE  HN          3.50    (#    528:10  Unique         2.06, 2.75 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#    0 AMB  10-2:529    104 ILE  HN          3.50    (#    529:10  Single Ambig)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,1556,
      1557,1558,
 &end
#
#  105 SER  HN          104 ILE  HN          3.50    (#    530:10  Unique         2.56, 2.64 A)
 &rst
  ixpk= 530, nxpk= 10, iat=1569,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 ILE  HG1-        104 ILE  HN          3.50    (#    531:10  Unique         2.06, 2.75 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1560,1561,
 &end
#
#  103 ALA  MB          104 ILE  HN          3.50    (#    532:10  Unique         2.66, 3.51 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1544,1545,1546,
 &end
#
#   72 GLU  HB+          72 GLU  HN          4.50    (#    534:10  Unique         2.73, 3.13 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1081,1082,
 &end
#
#   71 CYS  HA           72 GLU  HN          2.80    (#    536:10  Unique         2.40, 2.41 A)
 &rst
  ixpk= 536, nxpk= 10, iat=1068,1077, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 CYS  HB2          72 GLU  HN          4.50    (#    538:10  Unique         3.47, 3.53 A)
 &rst
  ixpk= 538, nxpk= 10, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 CYS  HB3          72 GLU  HN          3.50    (#    539:10  Unique         2.41, 2.45 A)
 &rst
  ixpk= 539, nxpk= 10, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 GLU  HB-          72 GLU  HN          3.50    (#    540:10  Unique         2.73, 3.13 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1081,1082,
 &end
#
#    0 AMB  10-2:541     72 GLU  HN          3.50    (#    541:10  Single Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 378, 379, 380, 391, 392, 414, 415, 416, 418, 419,
       420,
 &end
#
#   26 ARG  HN           72 GLU  HN          3.50    (#    542:10  Unique         2.82, 2.90 A)
 &rst
  ixpk= 542, nxpk= 10, iat= 384,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:543     72 GLU  HN          3.50    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1084,1085,1084,1085,
 &end
#
#  122 ASN  HN          123 ASP  HN          5.50    (#    544:10  Unique         2.43, 2.84 A)
 &rst
  ixpk= 544, nxpk= 10, iat=1851,1865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  122 ASN  HA          123 ASP  HN          3.50    (#    547:10  Unique         2.83, 3.19 A)
 &rst
  ixpk= 547, nxpk= 10, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 ASP  HA          123 ASP  HN          3.50    (#    548:10  Unique         2.80, 2.88 A)
 &rst
  ixpk= 548, nxpk= 10, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 ASP  HB+         123 ASP  HN          3.50    (#    549:10  Unique         2.42, 2.87 A)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1869,1870,
 &end
#
#  121 ALA  MB          123 ASP  HN          4.50    (#    550:10  Unique         2.76, 3.64 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#    0 AMB  10-2:551     57 TYR  HN          4.50    (#    551:10  Single Ambig)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 895, 870, 879, 751,
 &end
#
#   54 ALA  HA           57 TYR  HN          4.50    (#    552:10  Unique         3.22, 3.32 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 823, 862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ILE  HG1-         57 TYR  HN          5.50    (#    553:10  Unique         2.65, 3.12 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    0 AMB  10-2:554     57 TYR  HN          3.50    (#    554:10  Single Ambig)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 864, 806,
 &end
#
#  122 ASN  HN          123 ASP  HN          4.50    (#    555:10  Unique         2.43, 2.84 A)
 &rst
  ixpk= 555, nxpk= 10, iat=1851,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 ASP  HA          123 ASP  HN          4.50    (#    557:10  Unique         2.80, 2.88 A)
 &rst
  ixpk= 557, nxpk= 10, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 ASN  HA          123 ASP  HN          3.50    (#    558:10  Unique         2.83, 3.19 A)
 &rst
  ixpk= 558, nxpk= 10, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:559    123 ASP  HN          4.50    (#    559:10  Single Ambig)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1855,1856,1371,1372,
 &end
#
#  123 ASP  HB+         123 ASP  HN          3.50    (#    560:10  Unique         2.42, 2.87 A)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1869,1870,
 &end
#
#  121 ALA  MB          123 ASP  HN          3.50    (#    561:10  Unique         2.76, 3.64 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#   61 SER  HN           60 VAL  HN          3.50    (#    562:10  Unique         2.70, 2.75 A)
 &rst
  ixpk= 562, nxpk= 10, iat= 933, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HN           60 VAL  HN          3.50    (#    564:10  Unique         2.81, 2.83 A)
 &rst
  ixpk= 564, nxpk= 10, iat= 895, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:565     60 VAL  HN          4.50    (#    565:10  Single Ambig)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 897, 885, 935,
 &end
#
#    0 AMB  10-2:566     60 VAL  HN          3.50    (#    566:10  Single Ambig)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 919, 864,
 &end
#
#   59 LYS  HB+          60 VAL  HN          2.80    (#    567:10  Unique         2.53, 3.25 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#   60 VAL  HB           60 VAL  HN          3.50    (#    568:10  Unique         2.40, 2.44 A)
 &rst
  ixpk= 568, nxpk= 10, iat= 921, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HG+          60 VAL  HN          4.50    (#    569:10  Unique         3.35, 3.82 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 903,
 &end
#
#   60 VAL  MGY          60 VAL  HN          2.80    (#    570:10  Unique         2.17, 3.79 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#   60 VAL  MGX          60 VAL  HN          3.50    (#    571:10  Unique         2.17, 3.79 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  10-2:572     60 VAL  HN          5.50    (#    572:10  Single Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342, 856,
       857, 858,
 &end
#
#   57 TYR  HB3          57 TYR  HN          3.50    (#    573:10  Unique         2.42, 2.47 A)
 &rst
  ixpk= 573, nxpk= 10, iat= 867, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           57 TYR  HN          3.50    (#    574:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 574, nxpk= 10, iat= 883, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:576     57 TYR  HN          2.80    (#    576:10  Single Ambig)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 843, 831,
 &end
#
#   57 TYR  HB2          57 TYR  HN          2.80    (#    577:10  Unique         2.62, 2.65 A)
 &rst
  ixpk= 577, nxpk= 10, iat= 866, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:578     57 TYR  HN          3.50    (#    578:10  Single Ambig)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 847, 334,1096,1097,
 &end
#
#    0 AMB  10-2:579     57 TYR  HN          3.50    (#    579:10  Single Ambig)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#  123 ASP  HN          122 ASN  HN          4.50    (#    580:10  Unique         2.43, 2.84 A)
 &rst
  ixpk= 580, nxpk= 10, iat=1865,1851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 ALA  HA          122 ASN  HN          2.80    (#    582:10  Unique         2.23, 2.26 A)
 &rst
  ixpk= 582, nxpk= 10, iat=1843,1851, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  122 ASN  HB+         122 ASN  HN          3.50    (#    583:10  Unique         2.40, 2.63 A)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#  122 ASN  HB-         122 ASN  HN          3.50    (#    584:10  Unique         2.40, 2.63 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1855,1856,
 &end
#
#  121 ALA  MB          122 ASN  HN          3.50    (#    585:10  Unique         2.93, 3.74 A)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1851, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#  122 ASN  HA          122 ASN  HN          4.50    (#    586:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 586, nxpk= 10, iat=1853,1851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 LYS  HN          113 TYR  HN          2.80    (#    588:10  Unique         2.44, 2.59 A)
 &rst
  ixpk= 588, nxpk= 10, iat=1682,1704, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  112 LYS  HB+         113 TYR  HN          3.50    (#    589:10  Unique         2.44, 3.43 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#    0 AMB  10-2:590    113 TYR  HN          4.50    (#    590:10  Single Ambig)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1726,1727,1684,
 &end
#
#  114 PRO  HG+         113 TYR  HN          4.50    (#    591:10  Unique         4.45, 4.97 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1729,1730,
 &end
#
#  112 LYS  HB-         113 TYR  HN          4.50    (#    592:10  Unique         2.44, 3.43 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1686,1687,
 &end
#
#   79 ILE  HA           80 SER  HN          2.80    (#    593:10  Unique         2.20, 2.26 A)
 &rst
  ixpk= 593, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   80 SER  HB-          80 SER  HN          4.50    (#    594:10  Unique         2.87, 3.48 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1190,1191,
 &end
#
#    0 AMB  10-2:595     80 SER  HN          5.50    (#    595:10  Single Ambig)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1321,1322,1323,1171,1357,1358,1359,1361,1362,1363,
      
 &end
#
#    0 AMB  10-2:596     80 SER  HN          3.50    (#    596:10  Single Ambig)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1173,1174,1175,1177,1178,
 &end
#
#   80 SER  HB+          80 SER  HN          3.50    (#    597:10  Unique         2.87, 3.48 A)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1190,1191,
 &end
#
#  113 TYR  HN          112 LYS  HN          2.80    (#    599:10  Unique         2.44, 2.59 A)
 &rst
  ixpk= 599, nxpk= 10, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  112 LYS  HB+         112 LYS  HN          3.50    (#    601:10  Unique         2.33, 2.81 A)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1686,1687,
 &end
#
#  112 LYS  HB-         112 LYS  HN          2.80    (#    602:10  Unique         2.33, 2.81 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1686,1687,
 &end
#
#  111 ALA  MB          112 LYS  HN          3.50    (#    603:10  Unique         2.53, 3.46 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1676,1677,1678,
 &end
#
#  111 ALA  HN          112 LYS  HN          3.50    (#    604:10  Unique         2.78, 2.82 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1672,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:605    112 LYS  HN          3.50    (#    605:10  Single Ambig)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1684,1726,1727,1674,1611,
 &end
#
#  112 LYS  HG+         112 LYS  HN          4.00    (#    606:10  Unique         2.29, 3.72 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 4.5, r4= 5.0,
 igr1=1689,1690,
 &end
#
#   68 GLY  HA-          69 CYS  HN          4.50    (#    612:10  Unique         3.20, 3.33 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#   69 CYS  HB2          69 CYS  HN          3.50    (#    613:10  Unique         2.31, 2.46 A)
 &rst
  ixpk= 613, nxpk= 10, iat=1047,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 MET  HB3          69 CYS  HN          4.50    (#    614:10  Unique         3.93, 4.00 A)
 &rst
  ixpk= 614, nxpk= 10, iat= 968,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 CYS  HA           69 CYS  HN          4.50    (#    616:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 616, nxpk= 10, iat=1045,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:617     69 CYS  HN          3.50    (#    617:10  Single Ambig)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 965,
 &end
#
#   68 GLY  HA+          69 CYS  HN          4.50    (#    618:10  Unique         3.20, 3.33 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#   69 CYS  HB3          69 CYS  HN          4.50    (#    619:10  Unique         3.50, 3.52 A)
 &rst
  ixpk= 619, nxpk= 10, iat=1048,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 LYS  HB+         111 ALA  HN          3.50    (#    620:10  Unique         2.67, 3.22 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#    0 AMB  10-2:621    111 ALA  HN          4.50    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1657,1658,1686,1687,1614,1660,1661,1619,1620,1616,
      1617,
 &end
#
#  110 LYS  HN          111 ALA  HN          3.50    (#    622:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 622, nxpk= 10, iat=1650,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          111 ALA  HN          3.50    (#    623:10  Unique         2.78, 2.82 A)
 &rst
  ixpk= 623, nxpk= 10, iat=1682,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:625    111 ALA  HN          2.80    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1674,1611,
 &end
#
#  110 LYS  HB-         111 ALA  HN          3.50    (#    626:10  Unique         2.67, 3.22 A)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1654,1655,
 &end
#
#  111 ALA  MB          111 ALA  HN          2.80    (#    627:10  Unique         2.50, 2.89 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1676,1677,1678,
 &end
#
#    0 AMB  10-2:628     41 LYS  HN          4.50    (#    628:10  Single Ambig)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 386,
 &end
#
#   50 ALA  MB           52 TYR  HN          3.50    (#    629:10  Unique         3.20, 4.12 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 762, 763, 764,
 &end
#
#   52 TYR  HD           52 TYR  HN          3.50    (#    631:10  Unique         3.16, 3.66 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 800,
 &end
#
#   50 ALA  HA           52 TYR  HN          3.50    (#    632:10  Unique         3.00, 3.07 A)
 &rst
  ixpk= 632, nxpk= 10, iat= 760, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 GLU  HN           52 TYR  HN          2.80    (#    633:10  Unique         2.72, 2.76 A)
 &rst
  ixpk= 633, nxpk= 10, iat= 768, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:634     52 TYR  HN          5.50    (#    634:10  Single Ambig)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 831, 753,
 &end
#
#   51 GLU  HA           52 TYR  HN          4.50    (#    635:10  Unique         3.35, 3.42 A)
 &rst
  ixpk= 635, nxpk= 10, iat= 770, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HB3          52 TYR  HN          3.50    (#    636:10  Unique         3.35, 3.43 A)
 &rst
  ixpk= 636, nxpk= 10, iat= 836, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 TYR  HB+          52 TYR  HN          3.50    (#    637:10  Unique         3.62, 3.70 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#    0 AMB  10-2:638     52 TYR  HN          3.50    (#    638:10  Single Ambig)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773, 775, 776,
 &end
#
#    0 AMB  10-2:639     52 TYR  HN          3.50    (#    639:10  Single Ambig)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 772, 773, 775, 776,
 &end
#
#   52 TYR  HA           52 TYR  HN          4.50    (#    640:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 640, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 TYR  HB-          52 TYR  HN          3.50    (#    641:10  Unique         3.62, 3.70 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#   14 ILE  HA           14 ILE  HN          4.50    (#    642:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 642, nxpk= 10, iat= 192, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HA           14 ILE  HN          2.80    (#    643:10  Unique         2.15, 2.19 A)
 &rst
  ixpk= 643, nxpk= 10, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:644      0 AMB  10-1:644    2.80    (#    644:10  Double Ambig)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 200, 201, 168, 169, 170, 172, 173, 174,
 igr2= 190, 162,
 &end
#
#   13 ASP  HB2           0 AMB  10-1:645    4.50    (#    645:10  Single Ambig)
 &rst
  ixpk= 645, nxpk= 10, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 190, 162,
 &end
#
#   27 VAL  HN           41 LYS  HN          3.50    (#    647:10  Unique         2.65, 2.68 A)
 &rst
  ixpk= 647, nxpk= 10, iat= 408, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 SER  HA           41 LYS  HN          2.80    (#    649:10  Unique         2.32, 2.34 A)
 &rst
  ixpk= 649, nxpk= 10, iat= 579, 588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 LYS  HA           41 LYS  HN          4.50    (#    650:10  Unique         2.88, 2.93 A)
 &rst
  ixpk= 650, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 SER  HB2          41 LYS  HN          3.50    (#    651:10  Unique         3.48, 3.50 A)
 &rst
  ixpk= 651, nxpk= 10, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:652     41 LYS  HN          4.50    (#    652:10  Single Ambig)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 592, 593, 617, 618, 388,
 &end
#
#    0 AMB  10-2:653     41 LYS  HN          3.50    (#    653:10  Single Ambig)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 595, 596, 391, 392,
 &end
#
#    6 LEU  MDX          41 LYS  HN          3.50    (#    654:10  Unique         2.81, 4.33 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   40 SER  HB3          41 LYS  HN          3.50    (#    655:10  Unique         2.53, 2.63 A)
 &rst
  ixpk= 655, nxpk= 10, iat= 582, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LYS  HG+          41 LYS  HN          4.50    (#    656:10  Unique         2.43, 3.13 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 595, 596,
 &end
#
#   11 ASP  HB-          12 VAL  HN          4.50    (#    658:10  Unique         2.64, 3.39 A)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 154, 155,
 &end
#
#    0 AMB  10-2:659      0 AMB  10-1:659    2.80    (#    659:10  Double Ambig)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 200, 201,1732,1733,1692,1693,
 igr2= 190, 162,
 &end
#
#   12 VAL  HA           12 VAL  HN          3.50    (#    661:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 661, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:662     12 VAL  HN          3.50    (#    662:10  Single Ambig)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 154, 155,1695,1696,
 &end
#
#  114 PRO  HB+          14 ILE  HN          4.50    (#    663:10  Unique         3.55, 4.89 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1732,1733,
 &end
#
#   12 VAL  HB           12 VAL  HN          2.80    (#    664:10  Unique         2.51, 2.71 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 166, 162, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:665      0 AMB  10-1:665    2.80    (#    665:10  Double Ambig)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 igr2= 162, 190,
 &end
#
#   46 GLY  HA+          47 TYR  HN          2.80    (#    668:10  Unique         2.20, 2.68 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 686, 687,
 &end
#
#   46 GLY  HA-          47 TYR  HN          3.50    (#    669:10  Unique         2.20, 2.68 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 686, 687,
 &end
#
#   56 ILE  QD1          47 TYR  HN          2.80    (#    670:10  Unique         2.80, 3.72 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 856, 857, 858,
 &end
#
#   47 TYR  HD           47 TYR  HN          3.50    (#    671:10  Unique         3.02, 4.17 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 708,
 &end
#
#    0 AMB  10-2:672     47 TYR  HN          4.50    (#    672:10  Single Ambig)
 &rst
  ixpk= 672, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 693, 311,
 &end
#
#    0 AMB  10-2:673     47 TYR  HN          3.50    (#    673:10  Single Ambig)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 762, 763, 764, 849, 850, 851,
 &end
#
#   71 CYS  HA           71 CYS  HN          4.50    (#    676:10  Unique         2.96, 2.96 A)
 &rst
  ixpk= 676, nxpk= 10, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HA           71 CYS  HN          2.80    (#    677:10  Unique         2.34, 2.37 A)
 &rst
  ixpk= 677, nxpk= 10, iat=1056,1066, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:678     71 CYS  HN          3.50    (#    678:10  Single Ambig)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1058,1059, 987, 988,
 &end
#
#    0 AMB  10-2:679     71 CYS  HN          4.50    (#    679:10  Single Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1058,1059,1047,
 &end
#
#   71 CYS  HB2          71 CYS  HN          3.50    (#    682:10  Unique         2.80, 2.87 A)
 &rst
  ixpk= 682, nxpk= 10, iat=1070,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:683    108 LYS  HN          4.50    (#    683:10  Single Ambig)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1619,1620,1676,1677,1678,
 &end
#
#  108 LYS  HA          108 LYS  HN          3.50    (#    684:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 684, nxpk= 10, iat=1611,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 GLU  HB+         108 LYS  HN          3.50    (#    685:10  Unique         2.54, 3.04 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1598,1599,
 &end
#
#  108 LYS  HB2         108 LYS  HN          3.50    (#    686:10  Unique         2.29, 2.42 A)
 &rst
  ixpk= 686, nxpk= 10, iat=1613,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ILE  HN          108 LYS  HN          3.50    (#    687:10  Unique         2.71, 2.78 A)
 &rst
  ixpk= 687, nxpk= 10, iat=1631,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:688      0 AMB  10-1:688    2.80    (#    688:10  Double Ambig)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 853, 854,1616,1617,
 igr2= 843,1609,
 &end
#
#  108 LYS  HG+         108 LYS  HN          3.50    (#    689:10  Unique         2.37, 3.01 A)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1616,1617,
 &end
#
#   57 TYR  HN           56 ILE  HN          3.50    (#    690:10  Unique         2.66, 2.68 A)
 &rst
  ixpk= 690, nxpk= 10, iat= 862, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:692     56 ILE  HN          4.50    (#    692:10  Single Ambig)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 806, 864,
 &end
#
#   55 ASP  HB3          56 ILE  HN          4.50    (#    693:10  Unique         2.45, 2.50 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 836, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:694     56 ILE  HN          3.50    (#    694:10  Single Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 847, 334,
 &end
#
#    0 AMB  10-2:695      0 AMB  10-1:695    3.50    (#    695:10  Double Ambig)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 762, 763, 764, 849, 850, 851, 650, 651, 652, 654,
       655, 656, 336, 337, 338, 340, 341, 342,
 igr2= 843,1609,
 &end
#
#   56 ILE  HG1+         56 ILE  HN          3.50    (#    696:10  Unique         1.74, 2.28 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 853, 854,
 &end
#
#    6 LEU  MDY          29 SER  HN          5.50    (#    697:10  Unique         2.58, 4.29 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   29 SER  HB+          29 SER  HN          4.50    (#    698:10  Unique         2.40, 3.03 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#   29 SER  HB-          29 SER  HN          3.50    (#    699:10  Unique         2.40, 3.03 A)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#   28 HIS  HB2          29 SER  HN          5.50    (#    700:10  Unique         3.72, 3.78 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 SER  HA           29 SER  HN          4.50    (#    702:10  Unique         3.30, 3.39 A)
 &rst
  ixpk= 702, nxpk= 10, iat= 579, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 HIS  HA           29 SER  HN          2.80    (#    703:10  Unique         2.30, 2.34 A)
 &rst
  ixpk= 703, nxpk= 10, iat= 426, 441, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 SER  HA           29 SER  HN          3.50    (#    704:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 704, nxpk= 10, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 HIS  HB3          29 SER  HN          4.50    (#    705:10  Unique         2.61, 2.68 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 LEU  MDX          29 SER  HN          4.50    (#    706:10  Unique         2.58, 4.29 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    0 AMB  10-2:713     55 ASP  HN          3.50    (#    713:10  Single Ambig)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 762, 763, 764, 849, 850, 851, 336, 337, 338, 340,
       341, 342, 336, 337, 338, 340, 341, 342,
 &end
#
#   54 ALA  HN           55 ASP  HN          4.50    (#    714:10  Unique         2.75, 2.77 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 TYR  HN           55 ASP  HN          5.50    (#    715:10  Unique         3.86, 3.89 A)
 &rst
  ixpk= 715, nxpk= 10, iat= 783, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 ASP  HA           55 ASP  HN          3.50    (#    716:10  Unique         2.87, 2.87 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:717     55 ASP  HN          3.50    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 787, 788, 845,
 &end
#
#   55 ASP  HB3          55 ASP  HN          3.50    (#    718:10  Unique         2.63, 2.68 A)
 &rst
  ixpk= 718, nxpk= 10, iat= 836, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 TYR  HB+          55 ASP  HN          3.50    (#    719:10  Unique         3.60, 4.33 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 787, 788,
 &end
#
#   54 ALA  MB           55 ASP  HN          3.50    (#    720:10  Unique         3.00, 3.78 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 825, 826, 827,
 &end
#
#   55 ASP  HB2          55 ASP  HN          3.50    (#    721:10  Unique         2.40, 2.45 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 835, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ALA  MB            8 LEU  HN          4.50    (#    724:10  Unique         3.08, 3.80 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
#    0 AMB  10-2:725      8 LEU  HN          3.50    (#    725:10  Single Ambig)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
 &end
#
#    7 ALA  HN            8 LEU  HN          3.50    (#    726:10  Unique         2.43, 2.59 A)
 &rst
  ixpk= 726, nxpk= 10, iat=  88,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  HA            8 LEU  HN          3.50    (#    728:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 LEU  HB+           8 LEU  HN          2.80    (#    729:10  Unique         2.45, 3.07 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 102, 103,
 &end
#
#    8 LEU  HG            8 LEU  HN          2.80    (#    730:10  Unique         2.36, 2.53 A)
 &rst
  ixpk= 730, nxpk= 10, iat= 105,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 LEU  MDX           8 LEU  HN          3.50    (#    731:10  Unique         3.44, 4.52 A)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#   39 GLU  HA           40 SER  HN          2.80    (#    734:10  Unique         2.50, 2.64 A)
 &rst
  ixpk= 734, nxpk= 10, iat= 564, 577, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 SER  HB3          40 SER  HN          4.50    (#    735:10  Unique         3.92, 3.95 A)
 &rst
  ixpk= 735, nxpk= 10, iat= 582, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:736     40 SER  HN          4.50    (#    736:10  Single Ambig)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 569, 570, 569, 570,
 &end
#
#   39 GLU  HB+          40 SER  HN          3.50    (#    737:10  Unique         2.01, 2.77 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#   39 GLU  HB-          40 SER  HN          4.50    (#    738:10  Unique         2.01, 2.77 A)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 567,
 &end
#
#    6 LEU  MDX          40 SER  HN          4.50    (#    739:10  Unique         3.53, 5.34 A)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#   40 SER  HA           40 SER  HN          3.50    (#    740:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 740, nxpk= 10, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLN  HA           67 GLN  HN          3.50    (#    741:10  Unique         2.87, 2.88 A)
 &rst
  ixpk= 741, nxpk= 10, iat=1021,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:742     67 GLN  HN          3.50    (#    742:10  Single Ambig)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1004,1005,1007,1008,
 &end
#
#    0 AMB  10-2:743     67 GLN  HN          3.50    (#    743:10  Single Ambig)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 982,
 &end
#
#   68 GLY  HN           67 GLN  HN          2.80    (#    744:10  Unique         2.62, 2.68 A)
 &rst
  ixpk= 744, nxpk= 10, iat=1036,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LYS  HN           67 GLN  HN          3.50    (#    745:10  Unique         2.69, 2.73 A)
 &rst
  ixpk= 745, nxpk= 10, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:747     67 GLN  HN          3.50    (#    747:10  Single Ambig)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 999,1038,1039,
 &end
#
#    0 AMB  10-2:748     67 GLN  HN          2.80    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1026,1027,1024,
 &end
#
#   67 GLN  HB2          67 GLN  HN          3.50    (#    749:10  Unique         2.52, 2.59 A)
 &rst
  ixpk= 749, nxpk= 10, iat=1023,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           61 SER  HN          3.50    (#    751:10  Unique         2.70, 2.75 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:753     61 SER  HN          3.50    (#    753:10  Single Ambig)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 919, 864, 946, 947,
 &end
#
#   61 SER  HB+          61 SER  HN          3.50    (#    754:10  Unique         2.62, 3.12 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   61 SER  HB-          61 SER  HN          3.50    (#    755:10  Unique         2.62, 3.12 A)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   60 VAL  HB           61 SER  HN          3.50    (#    756:10  Unique         2.65, 2.75 A)
 &rst
  ixpk= 756, nxpk= 10, iat= 921, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  MGY          61 SER  HN          3.50    (#    757:10  Unique         3.65, 4.66 A)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  10-2:758     61 SER  HN          4.50    (#    758:10  Single Ambig)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342,
 &end
#
#   62 GLY  HN           61 SER  HN          3.50    (#    759:10  Unique         2.70, 2.76 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 944, 933, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:760     61 SER  HN          2.80    (#    760:10  Single Ambig)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 885,
 &end
#
#    0 AMB  10-2:761     61 SER  HN          3.50    (#    761:10  Single Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 378, 379, 380, 923, 924, 925, 927, 928, 929, 375,
       376,
 &end
#
#  105 SER  HB3         106 THR  HN          3.50    (#    764:10  Unique         3.58, 3.62 A)
 &rst
  ixpk= 764, nxpk= 10, iat=1574,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:766    106 THR  HN          3.50    (#    766:10  Single Ambig)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1594,1609,
 &end
#
#    0 AMB  10-2:767    106 THR  HN          3.50    (#    767:10  Single Ambig)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1584,1525,
 &end
#
#    0 AMB  10-2:768    106 THR  HN          3.50    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1542,1821,1822,1821,1822,
 &end
#
#  105 SER  HN          106 THR  HN          3.50    (#    769:10  Unique         2.90, 2.96 A)
 &rst
  ixpk= 769, nxpk= 10, iat=1569,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 THR  HA          106 THR  HN          3.50    (#    770:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 770, nxpk= 10, iat=1582,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 THR  MG2         106 THR  HN          3.50    (#    771:10  Unique         2.46, 3.53 A)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1586,1587,1588,
 &end
#
#    0 AMB  10-2:772    106 THR  HN          4.50    (#    772:10  Single Ambig)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1793,1794,1795,1797,1798,1799,1544,1545,1546,
 &end
#
#   91 TYR  HE           93 TYR  HN          7.00    (#    773:10  Unique         6.62, 7.82 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1377,1382,
 &end
#
#   92 GLY  HA-          93 TYR  HN          3.50    (#    774:10  Unique         2.26, 2.57 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#   77 GLY  HA+          93 TYR  HN          4.50    (#    777:10  Unique         2.59, 3.76 A)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#    0 AMB  10-2:778     93 TYR  HN          2.80    (#    778:10  Single Ambig)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1390,1391,1886,
 &end
#
#   77 GLY  HA-          93 TYR  HN          3.50    (#    779:10  Unique         2.59, 3.76 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1138,1139,
 &end
#
#  106 THR  HN          105 SER  HN          3.50    (#    780:10  Unique         2.90, 2.96 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1580,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 ILE  HN          105 SER  HN          2.80    (#    781:10  Unique         2.56, 2.64 A)
 &rst
  ixpk= 781, nxpk= 10, iat=1550,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  102 HIS  HA          105 SER  HN          3.50    (#    783:10  Unique         2.79, 2.86 A)
 &rst
  ixpk= 783, nxpk= 10, iat=1525,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 SER  HA          105 SER  HN          3.50    (#    784:10  Unique         2.75, 2.76 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1571,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 SER  HB3         105 SER  HN          3.50    (#    785:10  Unique         3.45, 3.50 A)
 &rst
  ixpk= 785, nxpk= 10, iat=1574,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 ILE  HB          105 SER  HN          2.80    (#    786:10  Unique         2.30, 2.42 A)
 &rst
  ixpk= 786, nxpk= 10, iat=1554,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 VAL  MGY         105 SER  HN          5.50    (#    787:10  Unique         3.84, 5.25 A)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#  105 SER  HB2         105 SER  HN          3.50    (#    789:10  Unique         2.48, 2.59 A)
 &rst
  ixpk= 789, nxpk= 10, iat=1573,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 TYR  HB+          23 VAL  HN          3.50    (#    790:10  Unique         2.95, 3.51 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 313, 314,
 &end
#
#    0 AMB  10-2:791     23 VAL  HN          7.00    (#    791:10  Single Ambig)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 691,1536,
 &end
#
#   45 ARG  HN           23 VAL  HN          3.50    (#    793:10  Unique         3.04, 3.09 A)
 &rst
  ixpk= 793, nxpk= 10, iat= 660, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 TYR  HA           23 VAL  HN          2.80    (#    794:10  Unique         2.43, 2.46 A)
 &rst
  ixpk= 794, nxpk= 10, iat= 311, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:795     23 VAL  HN          3.50    (#    795:10  Single Ambig)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 332, 686, 687,
 &end
#
#   22 TYR  HB-          23 VAL  HN          4.50    (#    796:10  Unique         2.95, 3.51 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 313, 314,
 &end
#
#    0 AMB  10-2:797     23 VAL  HN          2.80    (#    797:10  Single Ambig)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#   89 HIS  HE1         120 TRP  HN          5.50    (#    799:10  Unique         3.52, 3.60 A)
 &rst
  ixpk= 799, nxpk= 10, iat=1344,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 TRP  HD1         120 TRP  HN          3.50    (#    800:10  Unique         2.60, 2.65 A)
 &rst
  ixpk= 800, nxpk= 10, iat=1825,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 TRP  HA          120 TRP  HN          3.50    (#    801:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 801, nxpk= 10, iat=1819,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 THR  HA          120 TRP  HN          2.80    (#    802:10  Unique         2.56, 2.61 A)
 &rst
  ixpk= 802, nxpk= 10, iat=1805,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  119 THR  HB          120 TRP  HN          2.80    (#    804:10  Unique         2.27, 2.35 A)
 &rst
  ixpk= 804, nxpk= 10, iat=1807,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  120 TRP  HB+         120 TRP  HN          4.50    (#    805:10  Unique         3.34, 3.67 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1821,1822,
 &end
#
#    0 AMB  10-2:806    120 TRP  HN          3.50    (#    806:10  Single Ambig)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#   43 ILE  HG1-         43 ILE  HN          3.50    (#    807:10  Unique         2.34, 2.74 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#   25 ILE  HN           43 ILE  HN          3.50    (#    809:10  Unique         2.86, 2.92 A)
 &rst
  ixpk= 809, nxpk= 10, iat= 365, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 GLU  HA           43 ILE  HN          2.80    (#    810:10  Unique         2.21, 2.26 A)
 &rst
  ixpk= 810, nxpk= 10, iat= 612, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ARG  HA           43 ILE  HN          4.50    (#    811:10  Unique         3.71, 3.78 A)
 &rst
  ixpk= 811, nxpk= 10, iat= 386, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:812     43 ILE  HN          3.50    (#    812:10  Single Ambig)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 614, 615, 617, 618, 629,
 &end
#
#    0 AMB  10-2:813     43 ILE  HN          3.50    (#    813:10  Single Ambig)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 614, 615, 598, 599,
 &end
#
#   43 ILE  HG1+         43 ILE  HN          3.50    (#    814:10  Unique         2.34, 2.74 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#    0 AMB  10-2:815     43 ILE  HN          2.80    (#    815:10  Single Ambig)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 355, 356, 357, 359, 360, 361, 631, 632, 633, 371,
       372, 373,
 &end
#
#   43 ILE  QD1          43 ILE  HN          4.50    (#    816:10  Unique         4.68, 4.87 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 638, 639, 640,
 &end
#
#   82 GLN  HG+          82 GLN  HE2-        4.50    (#    820:10  Unique         2.24, 3.33 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1221,1222,
 igr2=1226,1227,
 &end
#
#   96 ALA  MB           97 TYR  HN          4.50    (#    827:10  Unique         2.70, 3.83 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1448,1449,1450,
 &end
#
#  122 ASN  HB+         122 ASN  HD2-        4.50    (#    843:10  Unique         2.25, 3.29 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#  122 ASN  HB-         122 ASN  HD2-        3.50    (#    844:10  Unique         2.25, 3.29 A)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#  122 ASN  HB+         122 ASN  HD2+        4.50    (#    845:10  Unique         2.25, 3.29 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#  122 ASN  HB-         122 ASN  HD2+        3.50    (#    849:10  Unique         2.25, 3.29 A)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1855,1856,
 igr2=1860,1861,
 &end
#
#   84 GLN  HG+          84 GLN  HE2+        5.50    (#    858:10  Unique         2.27, 3.36 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1249,1250,
 igr2=1254,1255,
 &end
#
#   94 SER  HB-          94 SER  HN          4.50    (#    861:10  Unique         2.36, 3.09 A)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1420,1421,
 &end
#
#   14 ILE  QG2          46 GLY  HN          3.50    (#    864:10  Unique         2.34, 3.46 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 196, 197, 198,
 &end
#
#    0 AMB  10-2:865     46 GLY  HN          2.80    (#    865:10  Single Ambig)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 662, 192,
 &end
#
#    0 AMB  10-2:866     46 GLY  HN          4.50    (#    866:10  Single Ambig)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 686, 687, 670, 671,
 &end
#
#    0 AMB  10-2:868     94 SER  HN          3.50    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1129,1454,1395,
 &end
#
#   93 TYR  HA           94 SER  HN          3.50    (#    870:10  Unique         2.34, 2.40 A)
 &rst
  ixpk= 870, nxpk= 10, iat=1397,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HB-          94 SER  HN          4.50    (#    871:10  Unique         2.73, 3.49 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1399,1400,
 &end
#
#    0 AMB  10-2:872     94 SER  HN          3.50    (#    872:10  Single Ambig)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1420,1421,1399,1400,
 &end
#
#   61 SER  HN           62 GLY  HN          3.50    (#    876:10  Unique         2.70, 2.76 A)
 &rst
  ixpk= 876, nxpk= 10, iat= 933, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HN           62 GLY  HN          3.50    (#    877:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 951, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:879     62 GLY  HN          3.50    (#    879:10  Single Ambig)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 935, 897, 885,
 &end
#
#   62 GLY  HA+          62 GLY  HN          2.80    (#    880:10  Unique         2.27, 2.55 A)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 946, 947,
 &end
#
#   62 GLY  HA-          62 GLY  HN          2.80    (#    881:10  Unique         2.27, 2.55 A)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 946, 947,
 &end
#
#   61 SER  HB-          62 GLY  HN          5.50    (#    882:10  Unique         2.81, 3.49 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   67 GLN  HG+          67 GLN  HE2-        4.50    (#    884:10  Unique         2.26, 3.21 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#   67 GLN  HG+          67 GLN  HE2+        5.50    (#    888:10  Unique         2.26, 3.21 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#   98 GLY  HA+          98 GLY  HN          3.50    (#    892:10  Unique         2.29, 2.62 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1477,1478,
 &end
#
#   98 GLY  HA-          98 GLY  HN          3.50    (#    894:10  Unique         2.29, 2.62 A)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1477,1478,
 &end
#
#   77 GLY  HA+          78 ARG  HN          2.80    (#    896:10  Unique         2.33, 2.63 A)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1138,1139,
 &end
#
#   77 GLY  HA-          78 ARG  HN          3.50    (#    897:10  Unique         2.33, 2.63 A)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1138,1139,
 &end
#
#   47 TYR  HD           49 TRP  HE1         4.50    (#    898:10  Unique         3.41, 4.19 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 699, 708,
 &end
#
#   49 TRP  HZ2          49 TRP  HE1         3.50    (#    899:10  Unique         2.90, 2.90 A)
 &rst
  ixpk= 899, nxpk= 10, iat= 747, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 TRP  HD1          49 TRP  HE1         2.80    (#    901:10  Unique         2.55, 2.55 A)
 &rst
  ixpk= 901, nxpk= 10, iat= 742, 744, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  123 ASP  HB+         124 GLY  HN          2.80    (#    904:10  Unique         2.86, 3.40 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1869,1870,
 &end
#
#  123 ASP  HA          124 GLY  HN          3.50    (#    905:10  Unique         2.56, 2.97 A)
 &rst
  ixpk= 905, nxpk= 10, iat=1867,1877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 GLY  HA+         124 GLY  HN          3.50    (#    907:10  Unique         2.30, 2.69 A)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1879,1880,
 &end
#
#  124 GLY  HA-         124 GLY  HN          2.80    (#    908:10  Unique         2.30, 2.69 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1879,1880,
 &end
#
#   92 GLY  HA-          92 GLY  HN          3.50    (#    912:10  Unique         2.26, 2.61 A)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1390,1391,
 &end
#
#    0 AMB  10-2:913     92 GLY  HN          3.50    (#    913:10  Single Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1390,1391,1886,
 &end
#
#   91 TYR  HB-          92 GLY  HN          3.50    (#    914:10  Unique         1.97, 2.92 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#   67 GLN  HN           68 GLY  HN          2.80    (#    918:10  Unique         2.62, 2.68 A)
 &rst
  ixpk= 918, nxpk= 10, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:919     68 GLY  HN          3.50    (#    919:10  Single Ambig)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 965,
 &end
#
#   68 GLY  HA-          68 GLY  HN          2.80    (#    920:10  Unique         2.35, 2.73 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1038,1039,
 &end
#
#    0 AMB  10-2:921     68 GLY  HN          3.50    (#    921:10  Single Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1024,1047,1026,1027,
 &end
#
#   67 GLN  HA           68 GLY  HN          3.50    (#    922:10  Unique         3.46, 3.50 A)
 &rst
  ixpk= 922, nxpk= 10, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLY  HA+          68 GLY  HN          2.80    (#    923:10  Unique         2.35, 2.73 A)
 &rst
  ixpk= 923, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1038,1039,
 &end
#
#   76 GLY  HA+          77 GLY  HN          3.50    (#    924:10  Unique         2.38, 2.58 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1132,
 &end
#
#   77 GLY  HA-          77 GLY  HN          4.50    (#    925:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#    0 AMB  10-2:926     77 GLY  HN          3.50    (#    926:10  Single Ambig)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1131,1132,1420,1421,
 &end
#
#   74 LEU  HN           75 GLY  HN          3.50    (#    928:10  Unique         2.34, 2.39 A)
 &rst
  ixpk= 928, nxpk= 10, iat=1103,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:930     75 GLY  HN          3.50    (#    930:10  Single Ambig)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1105, 332,
 &end
#
#    0 AMB  10-2:931     75 GLY  HN          3.50    (#    931:10  Single Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1124,1125,1094,
 &end
#
#   75 GLY  HA-          75 GLY  HN          3.50    (#    932:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#    0 AMB  10-2:933     75 GLY  HN          4.50    (#    933:10  Single Ambig)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,1112,
      1113,1114,1116,1117,1118,
 &end
#
#   78 ARG  HB+          78 ARG  HN          4.50    (#    936:10  Unique         2.66, 3.05 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#    0 AMB  10-2:937     78 ARG  HN          4.50    (#    937:10  Single Ambig)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 319, 324,1533,
 &end
#
#  101 GLN  HN          102 HIS  HN          5.50    (#    938:10  Unique         3.77, 3.80 A)
 &rst
  ixpk= 938, nxpk= 10, iat=1506,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 TYR  HB-          54 ALA  HN          4.50    (#    939:10  Unique         2.64, 3.59 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 787, 788,
 &end
#
#   52 TYR  HA           54 ALA  HN          5.50    (#    940:10  Unique         4.17, 4.21 A)
 &rst
  ixpk= 940, nxpk= 10, iat= 785, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 ASP  HA           54 ALA  HN          5.50    (#    941:10  Unique         5.29, 5.32 A)
 &rst
  ixpk= 941, nxpk= 10, iat= 833, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 TYR  HE           54 ALA  HN          5.50    (#    942:10  Unique         3.31, 5.22 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1469,
 &end
#
#    0 AMB  10-2:943     54 ALA  HN          7.00    (#    943:10  Single Ambig)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1462,1471, 793, 798,
 &end
#
#   53 HIS  HN           54 ALA  HN          4.50    (#    945:10  Unique         2.81, 2.85 A)
 &rst
  ixpk= 945, nxpk= 10, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:946     58 ASP  HN          4.50    (#    946:10  Single Ambig)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 923, 924, 925, 927, 928, 929, 849, 850,
       851, 762, 763, 764, 378, 379, 380,
 &end
#
#   59 LYS  HB+          58 ASP  HN          5.50    (#    947:10  Unique         4.76, 5.07 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#    0 AMB  10-2:948     26 ARG  HN          5.50    (#    948:10  Single Ambig)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1081,1082,1096,1097,
 &end
#
#   26 ARG  HB3          27 VAL  HN          4.50    (#    949:10  Unique         3.93, 4.01 A)
 &rst
  ixpk= 949, nxpk= 10, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:950     27 VAL  HN          5.50    (#    950:10  Single Ambig)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 595, 596, 635, 636,
 &end
#
#    0 AMB  10-2:951     27 VAL  HN          2.80    (#    951:10  Single Ambig)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 391, 392, 414, 415, 416, 418, 419, 420, 595, 596,
      
 &end
#
#   43 ILE  HN           27 VAL  HN          5.50    (#    952:10  Unique         4.80, 4.85 A)
 &rst
  ixpk= 952, nxpk= 10, iat= 625, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:953     26 ARG  HN          5.50    (#    953:10  Single Ambig)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 391, 392, 353, 635, 636,
 &end
#
#    0 AMB  10-2:954     26 ARG  HN          5.50    (#    954:10  Single Ambig)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 635, 636,1096,1097,
 &end
#
#   73 CYS  HA           73 CYS  HN          5.50    (#    955:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 955, nxpk= 10, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:956    119 THR  HN          5.50    (#    956:10  Single Ambig)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1357,1358,1359,1361,1362,1363,1321,1322,1323,
 &end
#
#   32 ARG  HA           33 SER  HN          5.50    (#    957:10  Unique         2.21, 2.91 A)
 &rst
  ixpk= 957, nxpk= 10, iat= 478, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 VAL  MGY         119 THR  HN          5.50    (#    958:10  Unique         3.38, 6.06 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  10-2:959    119 THR  HN          5.50    (#    959:10  Single Ambig)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1357,1358,1359,1361,1362,1363,1321,1322,1323,
 &end
#
#  118 VAL  HN          119 THR  HN          5.50    (#    960:10  Unique         4.32, 4.37 A)
 &rst
  ixpk= 960, nxpk= 10, iat=1787,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ILE  QD1          25 ILE  HN          5.50    (#    961:10  Unique         5.11, 5.65 A)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639, 640,
 &end
#
#    0 AMB  10-2:962     25 ILE  HN          5.50    (#    962:10  Single Ambig)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 614, 615, 629, 648,
 &end
#
#    0 AMB  10-2:963     25 ILE  HN          4.50    (#    963:10  Single Ambig)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 650, 651, 652, 654, 655, 656,1112,1113,1114,1116,
      1117,1118,
 &end
#
#   44 VAL  MGX          23 VAL  HN          4.50    (#    964:10  Unique         4.84, 6.51 A)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#    0 AMB  10-2:965     23 VAL  HN          5.50    (#    965:10  Single Ambig)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 334, 847,
 &end
#
#   46 GLY  HA-          23 VAL  HN          5.50    (#    966:10  Unique         3.86, 4.01 A)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 686, 687,
 &end
#
#   22 TYR  HD           23 VAL  HN          4.50    (#    967:10  Unique         2.70, 3.55 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 317, 326,
 &end
#
#    0 AMB  10-2:968     74 LEU  HN          5.50    (#    968:10  Single Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1096,1097, 617, 618,1081,1082,1458,1459,
 &end
#
#   25 ILE  HG1-         74 LEU  HN          5.50    (#    970:10  Unique         4.92, 5.92 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#   73 CYS  HB-          74 LEU  HN          5.50    (#    971:10  Unique         3.45, 3.91 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   55 ASP  HB3          51 GLU  HN          5.50    (#    972:10  Unique         4.23, 4.30 A)
 &rst
  ixpk= 972, nxpk= 10, iat= 836, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 VAL  MGY          80 SER  HN          5.50    (#    976:10  Unique         4.41, 6.00 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   91 TYR  HE           80 SER  HN          5.50    (#    977:10  Unique         3.01, 5.63 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1377,1382,
 &end
#
#   52 TYR  HB-          53 HIS  HN          5.50    (#    978:10  Unique         2.98, 3.36 A)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 787, 788,
 &end
#
#   54 ALA  HN           53 HIS  HN          5.50    (#    979:10  Unique         2.81, 2.85 A)
 &rst
  ixpk= 979, nxpk= 10, iat= 821, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 TYR  HB+          53 HIS  HN          5.50    (#    980:10  Unique         2.98, 3.36 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 787, 788,
 &end
#
#    0 AMB  10-2:981     72 GLU  HN          5.50    (#    981:10  Single Ambig)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1112,1113,1114,1116,1117,1118, 371, 372, 373,
 &end
#
#   26 ARG  HB2          72 GLU  HN          4.50    (#    982:10  Unique         4.52, 4.55 A)
 &rst
  ixpk= 982, nxpk= 10, iat= 388,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 VAL  HA           72 GLU  HN          4.50    (#    983:10  Unique         4.10, 4.21 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 410,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:984    121 ALA  HN          4.50    (#    984:10  Single Ambig)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1371,1372,1527,
 &end
#
#   91 TYR  HA          121 ALA  HN          4.50    (#    985:10  Unique         2.98, 3.11 A)
 &rst
  ixpk= 985, nxpk= 10, iat=1369,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 VAL  HB           28 HIS  HN          5.50    (#    987:10  Unique         3.91, 4.15 A)
 &rst
  ixpk= 987, nxpk= 10, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:988     28 HIS  HN          5.50    (#    988:10  Single Ambig)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1058,1059,1047,
 &end
#
#    0 AMB  10-2:989    110 LYS  HN          5.50    (#    989:10  Single Ambig)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1,1650, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1637,1638,1639, 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  10-2:990     61 SER  HN          5.50    (#    990:10  Single Ambig)
 &rst
  ixpk= 990, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 899, 900, 984,
 &end
#
#    0 AMB  10-2:991     61 SER  HN          5.50    (#    991:10  Single Ambig)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 870, 879, 895,
 &end
#
#    0 AMB  10-2:992     21 LYS  HN          5.50    (#    992:10  Single Ambig)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 762, 763, 764, 849, 850, 851,
 &end
#
#   21 LYS  HA           21 LYS  HN          4.50    (#    993:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 993, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           21 LYS  HN          7.00    (#    994:10  Unique         4.05, 4.34 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 770, 287, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:995    118 VAL  HN          4.50    (#    995:10  Single Ambig)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1809,1810,1811,1586,1587,1588,
 &end
#
#    0 AMB  10-2:996    118 VAL  HN          5.50    (#    996:10  Single Ambig)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1657,1658,1660,1661,
 &end
#
#    0 AMB  10-2:997    118 VAL  HN          3.50    (#    997:10  Single Ambig)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
      1798,1799,
 &end
#
#   90 VAL  HB           91 TYR  HN          5.50    (#    999:10  Unique         4.12, 4.18 A)
 &rst
  ixpk= 999, nxpk= 10, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 TYR  HB-          91 TYR  HN          5.50    (#   1000:10  Unique         3.31, 3.68 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#   91 TYR  HB+          91 TYR  HN          5.50    (#   1001:10  Unique         3.31, 3.68 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1371,1372,
 &end
#
#   91 TYR  HA           91 TYR  HN          4.50    (#   1002:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ASP  HN            6 LEU  HN          5.50    (#   1003:10  Unique         4.32, 4.35 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  57,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1004    64 MET  HN          5.50    (#   1004:10  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 919, 946, 947,
 &end
#
#   20 PHE  HN           79 ILE  HN          4.50    (#   1005:10  Unique         2.95, 3.05 A)
 &rst
  ixpk= 1005, nxpk= 10, iat= 267,1167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1006    79 ILE  HN          5.50    (#   1006:10  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 309, 251,
 &end
#
#   79 ILE  HA           79 ILE  HN          5.50    (#   1007:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=1169,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1008    79 ILE  HN          5.50    (#   1008:10  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 289,1353,
 &end
#
#   79 ILE  HG1-         79 ILE  HN          5.50    (#   1009:10  Unique         3.04, 3.68 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1177,1178,
 &end
#
#   78 ARG  HB+          79 ILE  HN          4.50    (#   1010:10  Unique         2.17, 3.72 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#    0 AMB  10-2:1011    79 ILE  HN          3.50    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1147,1148,1177,1178,
 &end
#
#   78 ARG  HB-          79 ILE  HN          4.50    (#   1012:10  Unique         2.17, 3.72 A)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1147,1148,
 &end
#
#   79 ILE  QD1          79 ILE  HN          5.50    (#   1013:10  Unique         4.10, 4.85 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1180,1181,1182,
 &end
#
#   38 ALA  MB           29 SER  HN          5.50    (#   1014:10  Unique         5.48, 6.15 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 556, 557, 558,
 &end
#
#   30 ALA  HN           29 SER  HN          4.50    (#   1019:10  Unique         3.43, 3.89 A)
 &rst
  ixpk= 1019, nxpk= 10, iat= 452, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1020    45 ARG  HN          5.50    (#   1020:10  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 648, 629,
 &end
#
#    0 AMB  10-2:1021    45 ARG  HN          5.50    (#   1021:10  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 635, 636, 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  10-2:1022    45 ARG  HN          3.50    (#   1022:10  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 330, 365,
 &end
#
#    0 AMB  10-2:1023    41 LYS  HN          3.50    (#   1023:10  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 592, 593, 412,
 &end
#
#    6 LEU  MDY          41 LYS  HN          4.50    (#   1024:10  Unique         2.81, 4.33 A)
 &rst
  ixpk= 1024, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,  80,  82,  83,  84,
 &end
#
#    6 LEU  HB3          41 LYS  HN          5.50    (#   1025:10  Unique         4.75, 4.96 A)
 &rst
  ixpk= 1025, nxpk= 10, iat=  74, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 VAL  MGX         106 THR  HN          5.50    (#   1026:10  Unique         4.39, 5.64 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  10-2:1027   106 THR  HN          5.50    (#   1027:10  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1355,1554,1613,1660,1661,1654,1655,
 &end
#
#    0 AMB  10-2:1028   106 THR  HN          5.50    (#   1028:10  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1571,1552,
 &end
#
#  104 ILE  HN          106 THR  HN          5.50    (#   1029:10  Unique         4.22, 4.31 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=1550,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 GLN  HB3          65 GLN  HN          3.50    (#   1030:10  Unique         3.52, 3.52 A)
 &rst
  ixpk= 1030, nxpk= 10, iat= 985, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1031    65 GLN  HN          5.50    (#   1031:10  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935, 999,
 &end
#
#   62 GLY  HA-          65 GLN  HN          5.50    (#   1032:10  Unique         3.62, 4.27 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 947,
 &end
#
#   71 CYS  HB3          71 CYS  HN          4.50    (#   1033:10  Unique         3.87, 3.89 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1071,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1043   109 ILE  HN          5.50    (#   1043:10  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1611,1726,1727,
 &end
#
#    0 AMB  10-2:1048    90 VAL  HN          5.50    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1586,1587,1588,1809,1810,1811,
 &end
#
#   89 HIS  HB-          90 VAL  HN          4.50    (#   1049:10  Unique         3.77, 4.05 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1339,
 &end
#
#    0 AMB  10-2:1050    90 VAL  HN          4.50    (#   1050:10  Single Ambig)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1338,1339,1528,
 &end
#
#   90 VAL  HA           90 VAL  HN          5.50    (#   1051:10  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1052    90 VAL  HN          4.50    (#   1052:10  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1841,1186,
 &end
#
#  119 THR  HN           90 VAL  HN          5.50    (#   1053:10  Unique         3.50, 3.68 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=1803,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ASP  HN            0 AMB  10-1:1054   5.50    (#   1054:10  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 10, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 190, 162,
 &end
#
#   44 VAL  HN           12 VAL  HN          5.50    (#   1055:10  Unique         4.80, 4.93 A)
 &rst
  ixpk= 1055, nxpk= 10, iat= 644, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 ALA  MB            2 ALA  HN          5.50    (#   1057:10  Unique         2.47, 3.10 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  25,  26,  27,
 &end
#
#   29 SER  HB-          30 ALA  HN          5.50    (#   1058:10  Unique         1.93, 4.09 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#   27 VAL  MGY          70 ASP  HN          5.50    (#   1061:10  Unique         3.53, 5.48 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#   28 HIS  HB3          70 ASP  HN          5.50    (#   1062:10  Unique         4.36, 4.80 A)
 &rst
  ixpk= 1062, nxpk= 10, iat= 429,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 ILE  QD1          22 TYR  HN          4.50    (#   1063:10  Unique         3.38, 4.28 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 856, 857, 858,
 &end
#
#    0 AMB  10-2:1064    22 TYR  HN          5.50    (#   1064:10  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342, 762, 763, 764, 849, 850, 851,
 &end
#
#    0 AMB  10-2:1065    22 TYR  HN          5.50    (#   1065:10  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1171,1357,1358,1359,1361,1362,1363,
 &end
#
#   90 VAL  MGY          22 TYR  HN          5.50    (#   1067:10  Unique         6.06, 7.88 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   21 LYS  HB2          22 TYR  HN          4.50    (#   1068:10  Unique         3.34, 3.53 A)
 &rst
  ixpk= 1068, nxpk= 10, iat= 291, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 TYR  HB-          22 TYR  HN          4.50    (#   1069:10  Unique         2.73, 3.34 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 313, 314,
 &end
#
#   22 TYR  HB+          22 TYR  HN          5.50    (#   1070:10  Unique         2.73, 3.34 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 313, 314,
 &end
#
#    0 AMB  10-2:1071    22 TYR  HN          5.50    (#   1071:10  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 275, 283, 691,1536,
 &end
#
#   79 ILE  HN           22 TYR  HN          5.50    (#   1072:10  Unique         4.40, 4.54 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=1167, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HN           22 TYR  HN          5.50    (#   1073:10  Unique         4.37, 4.39 A)
 &rst
  ixpk= 1073, nxpk= 10, iat= 330, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 PRO  HB+          32 ARG  HN          5.50    (#   1075:10  Unique         2.90, 3.63 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 469, 470,
 &end
#
#    0 AMB  10-2:1076    32 ARG  HN          7.00    (#   1076:10  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 522, 523, 524, 456, 457, 458,
 &end
#
#   40 SER  HB2          40 SER  HN          4.50    (#   1080:10  Unique         2.91, 3.01 A)
 &rst
  ixpk= 1080, nxpk= 10, iat= 581, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LEU  MDX         103 ALA  HN          5.50    (#   1081:10  Unique         5.50, 7.64 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 355, 356, 357, 359, 360, 361,
 &end
#
#   19 VAL  MG2          20 PHE  HN          4.50    (#   1082:10  Unique         4.61, 5.21 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 261, 262, 263,
 &end
#
#   78 ARG  HG+          20 PHE  HN          5.50    (#   1083:10  Unique         3.21, 3.99 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#  102 HIS  HB2         103 ALA  HN          5.50    (#   1084:10  Unique         3.16, 3.22 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=1527,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 SER  HN          103 ALA  HN          5.50    (#   1085:10  Unique         4.26, 4.28 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=1569,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1086    42 GLU  HN          4.50    (#   1086:10  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 391, 392, 355, 356, 357, 359, 360, 361,
 &end
#
#  108 LYS  HE+          42 GLU  HN          5.50    (#   1087:10  Unique         3.15, 4.67 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1622,1623,
 &end
#
#   41 LYS  HG+          42 GLU  HN          5.50    (#   1088:10  Unique         3.37, 4.29 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 595, 596,
 &end
#
#   93 TYR  HA           93 TYR  HN          5.50    (#   1089:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HD           93 TYR  HN          5.50    (#   1090:10  Unique         2.91, 4.01 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#    0 AMB  10-2:1091    57 TYR  HN          5.50    (#   1091:10  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 825, 826, 827, 665, 902, 903,
 &end
#
#   56 ILE  HG1+         57 TYR  HN          5.50    (#   1092:10  Unique         2.65, 3.12 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#   97 TYR  HB-          97 TYR  HN          4.50    (#   1096:10  Unique         2.69, 3.34 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1458,1459,
 &end
#
#   97 TYR  HB+          97 TYR  HN          5.50    (#   1097:10  Unique         2.69, 3.34 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#   97 TYR  HA           97 TYR  HN          4.50    (#   1099:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 SER  HB+          98 GLY  HN          5.50    (#   1102:10  Unique         2.61, 4.18 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#   94 SER  HB-          98 GLY  HN          7.00    (#   1103:10  Unique         2.61, 4.18 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1420,1421,
 &end
#
#   97 TYR  HB-          98 GLY  HN          5.50    (#   1104:10  Unique         2.45, 3.79 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#   97 TYR  HA           98 GLY  HN          5.50    (#   1105:10  Unique         2.48, 3.21 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1456,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  122 ASN  HB-         123 ASP  HN          5.50    (#   1106:10  Unique         3.08, 4.15 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1855,1856,
 &end
#
#    0 AMB  10-2:1108    63 ASP  HN          7.00    (#   1108:10  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 968, 905, 906,
 &end
#
#    0 AMB  10-2:1109    63 ASP  HN          5.50    (#   1109:10  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 923, 924, 925, 927, 928, 929, 378, 379, 380,
 &end
#
#    0 AMB  10-2:1110    63 ASP  HN          4.50    (#   1110:10  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 935, 897, 885,
 &end
#
#    0 AMB  10-2:1111    63 ASP  HN          4.50    (#   1111:10  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 917,
 &end
#
#    0 AMB  10-2:1112   113 TYR  HN          4.50    (#   1112:10  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1689,1690, 168, 169, 170, 172, 173, 174,
 &end
#
#    0 AMB  10-2:1114   113 TYR  HN          5.50    (#   1114:10  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1676,1677,1678,1657,1658,
 &end
#
#  110 LYS  HA          113 TYR  HN          4.50    (#   1117:10  Unique         3.28, 3.63 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=1652,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  111 ALA  HN          113 TYR  HN          5.50    (#   1119:10  Unique         3.96, 4.23 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=1672,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ILE  HN           24 LEU  HN          4.50    (#   1120:10  Unique         4.22, 4.25 A)
 &rst
  ixpk= 1120, nxpk= 10, iat= 365, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 GLY  HA-          24 LEU  HN          4.50    (#   1121:10  Unique         3.02, 3.52 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1131,1132,
 &end
#
#    0 AMB  10-2:1124   125 TYR  HN          5.50    (#   1124:10  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1375,1384,1405,1410,
 &end
#
#    0 AMB  10-2:1131    69 CYS  HN          5.50    (#   1131:10  Single Ambig)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1023, 466, 467,
 &end
#
#   67 GLN  HN           69 CYS  HN          5.50    (#   1132:10  Unique         3.96, 4.03 A)
 &rst
  ixpk= 1132, nxpk= 10, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 SER  HB+          62 GLY  HN          5.50    (#   1133:10  Unique         2.81, 3.49 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   26 ARG  HD+          26 ARG  HE          4.50    (#   1134:10  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 394, 395,
 &end
#
#   26 ARG  HG+          26 ARG  HE          5.50    (#   1135:10  Unique         2.26, 3.06 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   74 LEU  MDX          26 ARG  HE          5.50    (#   1136:10  Unique         2.69, 5.26 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   44 VAL  HN           13 ASP  HN          5.50    (#   1137:10  Unique         4.14, 4.35 A)
 &rst
  ixpk= 1137, nxpk= 10, iat= 644, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 ARG  HD+          13 ASP  HN          5.50    (#   1138:10  Unique         2.20, 3.96 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#   45 ARG  HD-          13 ASP  HN          5.50    (#   1140:10  Unique         2.20, 3.96 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#   12 VAL  HB           13 ASP  HN          5.50    (#   1141:10  Unique         4.03, 4.10 A)
 &rst
  ixpk= 1141, nxpk= 10, iat= 166, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 ALA  MB          101 GLN  HE2-        5.50    (#   1142:10  Unique         3.82, 5.99 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1518,1519,
 &end
#
#  104 ILE  QD1         101 GLN  HE2-        5.50    (#   1143:10  Unique         3.43, 6.12 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1563,1564,1565,
 igr2=1518,1519,
 &end
#
#    7 ALA  HN            9 ILE  HN          5.50    (#   1145:10  Unique         3.92, 4.13 A)
 &rst
  ixpk= 1145, nxpk= 10, iat=  88, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  MDX           9 ILE  HN          5.50    (#   1146:10  Unique         5.17, 5.94 A)
 &rst
  ixpk= 1146, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 107, 108, 109, 111, 112, 113,
 &end
#
#    7 ALA  HA            8 LEU  HN          4.50    (#   1147:10  Unique         3.49, 3.51 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  90,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 TYR  HA          100 ALA  HN          5.50    (#   1148:10  Unique         3.55, 3.71 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=1397,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1149   100 ALA  HN          5.50    (#   1149:10  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,1508,1525,
 &end
#
#    0 AMB  10-2:1150   100 ALA  HN          5.50    (#   1150:10  Single Ambig)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1124,1125,1131,1132,
 &end
#
#   99 PRO  HB+         100 ALA  HN          5.50    (#   1151:10  Unique         3.35, 3.71 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1489,1490,
 &end
#
#   99 PRO  HB-         100 ALA  HN          5.50    (#   1152:10  Unique         3.35, 3.71 A)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1489,1490,
 &end
#
#    0 AMB  10-2:1154     0 AMB  10-1:1154   3.50    (#   1154:10  Double Ambig)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 856, 857, 858, 168, 169, 170, 172, 173, 174,1793,
      1794,1795,1797,1798,1799,
 igr2= 843,1609,
 &end
#
#   55 ASP  HB2          56 ILE  HN          5.50    (#   1155:10  Unique         3.65, 3.74 A)
 &rst
  ixpk= 1155, nxpk= 10, iat= 835, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 GLU  HA          108 LYS  HN          4.50    (#   1156:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=1596,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1157   108 LYS  HN          4.50    (#   1157:10  Single Ambig)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1556,1557,1558, 168, 169, 170, 172, 173, 174,1563,
      1564,1565,
 &end
#
#    0 AMB  10-2:1158   107 GLU  HN          5.50    (#   1158:10  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1563,1564,1565,1556,1557,1558,1637,1638,1639,
 &end
#
#    0 AMB  10-2:1159   107 GLU  HN          5.50    (#   1159:10  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1544,1545,1546,1793,1794,1795,1797,1798,1799,
 &end
#
#    0 AMB  10-2:1160   107 GLU  HN          5.50    (#   1160:10  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1613,1660,1661,1654,1655,1554,
 &end
#
#   45 ARG  HB3          46 GLY  HN          5.50    (#   1161:10  Unique         2.74, 2.83 A)
 &rst
  ixpk= 1161, nxpk= 10, iat= 665, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1162    46 GLY  HN          4.50    (#   1162:10  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 849, 850, 851, 650, 651, 652, 654, 655, 656, 336,
       337, 338, 340, 341, 342,
 &end
#
#   12 VAL  MGY         112 LYS  HN          5.50    (#   1163:10  Unique         3.95, 5.55 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 168, 169, 170, 172, 173, 174,
 &end
#
#  109 ILE  HA          112 LYS  HN          5.50    (#   1164:10  Unique         3.32, 3.41 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=1633,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1165   105 SER  HN          4.50    (#   1165:10  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1560,1561,1619,1620,
 &end
#
#  104 ILE  HG1+        105 SER  HN          4.50    (#   1166:10  Unique         3.98, 4.49 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1560,1561,
 &end
#
#    0 AMB  10-2:1167   105 SER  HN          4.50    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
 &end
#
#    0 AMB  10-2:1168   105 SER  HN          3.50    (#   1168:10  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,1563,
      1564,1565,
 &end
#
#   90 VAL  MGX         105 SER  HN          4.50    (#   1169:10  Unique         4.93, 6.43 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1,1569, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   60 VAL  MGY          59 LYS  HN          5.50    (#   1170:10  Unique         4.38, 6.37 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925, 927, 928, 929,
 &end
#
#    0 AMB  10-2:1171    59 LYS  HN          5.50    (#   1171:10  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
 &end
#
#    0 AMB  10-2:1172    59 LYS  HN          5.50    (#   1172:10  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 905, 906, 853, 854,
 &end
#
#   56 ILE  HA           59 LYS  HN          4.50    (#   1173:10  Unique         3.31, 3.38 A)
 &rst
  ixpk= 1173, nxpk= 10, iat= 845, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 GLN  HB-         102 HIS  HN          4.50    (#   1174:10  Unique         4.23, 4.42 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1510,1511,
 &end
#
#    0 AMB  10-2:1175   111 ALA  HN          4.50    (#   1175:10  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1635,1614,1660,1661,1616,1617,1692,1693,
 &end
#
#    0 AMB  10-2:1176   111 ALA  HN          5.50    (#   1176:10  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1616,1617,1692,1693,
 &end
#
#  110 LYS  HA          111 ALA  HN          4.50    (#   1177:10  Unique         3.60, 3.61 A)
 &rst
  ixpk= 1177, nxpk= 10, iat=1652,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 MET  ME           67 GLN  HE2+        5.50    (#   1179:10  Unique         2.42, 3.15 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974, 975, 976,
 igr2=1031,1032,
 &end
#
#   27 VAL  MGY          67 GLN  HE2+        5.50    (#   1180:10  Unique         6.28, 7.90 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 414, 415, 416, 418, 419, 420,
 igr2=1031,1032,
 &end
#
#    0 AMB  10-2:1181     0 AMB  10-1:1181   5.50    (#   1181:10  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 123, 124, 125, 130, 131, 132,
 igr2=1031,1032,1031,1032,
 &end
#
#  104 ILE  QD1         101 GLN  HE2+        4.50    (#   1183:10  Unique         3.43, 6.12 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1563,1564,1565,
 igr2=1518,1519,
 &end
#
#  103 ALA  MB          101 GLN  HE2+        5.50    (#   1184:10  Unique         3.82, 5.99 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1544,1545,1546,
 igr2=1518,1519,
 &end
#
#    0 AMB  10-2:1185    47 TYR  HN          4.50    (#   1185:10  Single Ambig)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 853, 854, 292,
 &end
#
#   50 ALA  MB           50 ALA  HN          2.80    (#   1186:10  Unique         2.41, 3.00 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 762, 763, 764,
 &end
#
#   49 TRP  HE3          50 ALA  HN          5.50    (#   1187:10  Unique         3.05, 3.08 A)
 &rst
  ixpk= 1187, nxpk= 10, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 GLU  HN           50 ALA  HN          5.50    (#   1188:10  Unique         3.71, 3.83 A)
 &rst
  ixpk= 1188, nxpk= 10, iat= 768, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 PRO  HA           94 SER  HN          4.50    (#   1190:10  Unique         2.89, 3.19 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=1492,1416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ARG  HG+          78 ARG  HN          5.50    (#   1193:10  Unique         2.80, 4.32 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1150,1151,
 &end
#
#    0 AMB  10-2:1194    78 ARG  HN          5.50    (#   1194:10  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1353, 289,
 &end
#
#    0 AMB  10-2:1195    78 ARG  HN          5.50    (#   1195:10  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1390,1391,1886,
 &end
#
#  100 ALA  MB           76 GLY  HN          4.50    (#   1196:10  Unique         3.06, 4.04 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1500,1501,1502,
 &end
#
#    0 AMB  10-2:1198    76 GLY  HN          5.50    (#   1198:10  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,1489,1490,
 &end
#
#   94 SER  HB-          76 GLY  HN          5.50    (#   1201:10  Unique         2.69, 3.72 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#  100 ALA  HA           76 GLY  HN          4.50    (#   1202:10  Unique         3.85, 3.94 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=1498,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 PRO  HA           76 GLY  HN          5.50    (#   1204:10  Unique         3.26, 3.34 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=1492,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 TYR  HA           92 GLY  HN          3.50    (#   1206:10  Unique         2.56, 2.67 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=1369,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLN  HB2          68 GLY  HN          4.50    (#   1207:10  Unique         2.43, 3.02 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1208    77 GLY  HN          4.50    (#   1208:10  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#   77 GLY  HA+          77 GLY  HN          4.50    (#   1209:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1138,1139,
 &end
#
#   23 VAL  HA           77 GLY  HN          4.50    (#   1210:10  Unique         3.33, 3.44 A)
 &rst
  ixpk= 1210, nxpk= 10, iat= 332,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 TYR  HN           77 GLY  HN          5.50    (#   1211:10  Unique         3.09, 3.18 A)
 &rst
  ixpk= 1211, nxpk= 10, iat= 309,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1212    77 GLY  HN          5.50    (#   1212:10  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1129,1395,
 &end
#
#   74 LEU  HB2          75 GLY  HN          4.50    (#   1213:10  Unique         2.90, 2.95 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=1107,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1214    75 GLY  HN          5.50    (#   1214:10  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
       341, 342,
 &end
#
#   74 LEU  HB3          75 GLY  HN          5.50    (#   1215:10  Unique         3.87, 3.91 A)
 &rst
  ixpk= 1215, nxpk= 10, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 LEU  HG           75 GLY  HN          5.50    (#   1216:10  Unique         4.46, 4.50 A)
 &rst
  ixpk= 1216, nxpk= 10, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LEU  HB+          75 GLY  HN          5.50    (#   1217:10  Unique         2.98, 3.86 A)
 &rst
  ixpk= 1217, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 351,
 &end
#
#   74 LEU  MDY          75 GLY  HN          5.50    (#   1218:10  Unique         5.18, 5.89 A)
 &rst
  ixpk= 1218, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1112,1113,1114,1116,1117,1118,
 &end
#
#   97 TYR  HB-          75 GLY  HN          5.50    (#   1219:10  Unique         3.97, 4.52 A)
 &rst
  ixpk= 1219, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#   73 CYS  HB+          75 GLY  HN          5.50    (#   1220:10  Unique         2.95, 3.76 A)
 &rst
  ixpk= 1220, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   97 TYR  HB+          75 GLY  HN          5.50    (#   1221:10  Unique         3.97, 4.52 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    0 AMB  10-2:1223    75 GLY  HN          5.50    (#   1223:10  Single Ambig)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1129,1454,
 &end
#
#   24 LEU  HN           75 GLY  HN          5.50    (#   1224:10  Unique         3.23, 3.28 A)
 &rst
  ixpk= 1224, nxpk= 10, iat= 346,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 ASP  HB3           0 AMB  10-1:1225   4.50    (#   1225:10  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 10, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 190, 162,
 &end
#
#   55 ASP  HB2          52 TYR  HN          5.50    (#   1226:10  Unique         3.26, 3.39 A)
 &rst
  ixpk= 1226, nxpk= 10, iat= 835, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 CYS  HB3          28 HIS  HN          5.50    (#   1228:10  Unique         3.27, 3.37 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=1048, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 ARG  HD+          45 ARG  HE          5.50    (#   1232:10  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 670, 671,
 &end
#
#   48 LYS  HA           48 LYS  HN          4.50    (#   1234:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1234, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HG+          48 LYS  HN          7.00    (#   1236:10  Unique         7.38, 7.75 A)
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 775, 776,
 &end
#
#   27 VAL  MGY          69 CYS  HN          5.50    (#   1251:10  Unique         5.20, 6.89 A)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416, 418, 419, 420,
 &end
#
#    0 AMB  10-2:1252    69 CYS  HN          5.50    (#   1252:10  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 987, 988, 970, 971,
 &end
#
#    0 AMB  10-2:1253    69 CYS  HN          5.50    (#   1253:10  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054, 452,
 &end
#
#    4 ALA  HN            5 ASP  HN          5.50    (#   1255:10  Unique         4.28, 4.50 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=  47,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  117 GLU  HB+         118 VAL  HN          5.50    (#   1257:10  Unique         3.45, 3.78 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1776,1777,
 &end
#
#   24 LEU  HA           45 ARG  HN          7.00    (#   1258:10  Unique         3.79, 3.90 A)
 &rst
  ixpk= 1258, nxpk= 10, iat= 348, 660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1260    24 LEU  HN          4.50    (#   1260:10  Single Ambig)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 353,1107,
 &end
#
#    7 ALA  MB            9 ILE  HN          5.50    (#   1261:10  Unique         5.13, 5.56 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   36 PRO  HB-          37 ALA  HN          4.50    (#   1264:10  Unique         2.15, 3.87 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 535, 536,
 &end
#
#   36 PRO  HG+          37 ALA  HN          5.50    (#   1265:10  Unique         2.69, 3.71 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 532, 533,
 &end
#
#  106 THR  HA          107 GLU  HN          5.50    (#   1267:10  Unique         3.63, 3.64 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=1582,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 VAL  HB           20 PHE  HN          4.50    (#   1268:10  Unique         4.14, 4.28 A)
 &rst
  ixpk= 1268, nxpk= 10, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1269    20 PHE  HN          5.50    (#   1269:10  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1147,1148,1173,1174,1175,
 &end
#
#  120 TRP  HD1         121 ALA  HN          7.00    (#   1270:10  Unique         5.27, 5.34 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=1825,1841, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1273     7 ALA  HN          4.50    (#   1273:10  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103,  76,
 &end
#
#    0 AMB  10-2:1274     7 ALA  HN          5.50    (#   1274:10  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 10, iat= 105,  88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 THR  HN          104 ILE  HN          5.50    (#   1275:10  Unique         4.22, 4.31 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=1580,1550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1276   104 ILE  HN          5.50    (#   1276:10  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1598,1599,1513,1514,
 &end
#
#  101 GLN  HB-         104 ILE  HN          5.50    (#   1277:10  Unique         3.12, 3.48 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1510,1511,
 &end
#
#    0 AMB  10-2:1278    60 VAL  HN          5.50    (#   1278:10  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 667, 668, 905, 906, 853, 854, 375, 376,
 &end
#
#   45 ARG  HG+          60 VAL  HN          5.50    (#   1279:10  Unique         4.83, 6.01 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#  112 LYS  HD+          12 VAL  HN          5.50    (#   1282:10  Unique         3.56, 5.18 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1692,1693,
 &end
#
#  105 SER  HA          108 LYS  HN          5.50    (#   1283:10  Unique         3.65, 3.77 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=1571,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1284     0 AMB  10-1:1284   4.50    (#   1284:10  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 845,1596,
 igr2= 843,1609,
 &end
#
#   40 SER  HB2          29 SER  HN          7.00    (#   1285:10  Unique         5.78, 5.91 A)
 &rst
  ixpk= 1285, nxpk= 10, iat= 581, 441, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1286    29 SER  HN          7.00    (#   1286:10  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 414, 415, 416, 418, 419, 420, 595, 596, 391, 392,
      
 &end
#
#    0 AMB  10-2:1288     0 AMB  10-1:1288   4.50    (#   1288:10  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 853, 854, 968,
 igr2= 831,1019,
 &end
#
#  118 VAL  MGY         106 THR  HN          5.50    (#   1289:10  Unique         4.69, 6.23 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#   44 VAL  MGX         106 THR  HN          5.50    (#   1290:10  Unique         5.68, 6.60 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 650, 651, 652, 654, 655, 656,
 &end
#
#   90 VAL  HN          120 TRP  HN          5.50    (#   1292:10  Unique         4.51, 4.60 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=1351,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN           43 ILE  HN          5.50    (#   1295:10  Unique         4.38, 4.43 A)
 &rst
  ixpk= 1295, nxpk= 10, iat= 644, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ILE  HA           43 ILE  HN          3.50    (#   1297:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1297, nxpk= 10, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LEU  HA           43 ILE  HN          5.50    (#   1298:10  Unique         4.48, 4.54 A)
 &rst
  ixpk= 1298, nxpk= 10, iat= 348, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 GLU  HG+          43 ILE  HN          5.50    (#   1299:10  Unique         3.75, 4.54 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 617, 618,
 &end
#
#   90 VAL  MGY          79 ILE  HN          5.50    (#   1302:10  Unique         4.91, 6.60 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,1167, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1357,1358,1359,1361,1362,1363,
 &end
#
#   94 SER  HB+          97 TYR  HN          5.50    (#   1303:10  Unique         2.11, 2.98 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1421,
 &end
#
#   99 PRO  HD-          98 GLY  HN          7.00    (#   1304:10  Unique         4.65, 4.90 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1483,1484,
 &end
#
#  118 VAL  MGY         113 TYR  HN          7.00    (#   1307:10  Unique         6.10, 7.74 A)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1793,1794,1795,1797,1798,1799,
 &end
#
#  114 PRO  HB+         113 TYR  HN          5.50    (#   1309:10  Unique         4.59, 5.81 A)
 &rst
  ixpk= 1309, nxpk= 10, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1732,1733,
 &end
#
#   36 PRO  HB+          37 ALA  HN          7.00    (#   1310:10  Unique         2.15, 3.87 A)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 535, 536,
 &end
#
#   91 TYR  HD           92 GLY  HN          4.50    (#   1317:10  Unique         2.97, 4.08 A)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1375,1384,
 &end
#
#   91 TYR  HB+          92 GLY  HN          3.50    (#   1319:10  Unique         1.97, 2.92 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1371,1372,
 &end
#
#  100 ALA  HN           76 GLY  HN          4.50    (#   1320:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 1320, nxpk= 10, iat=1496,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1321    76 GLY  HN          3.50    (#   1321:10  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1131,1132,1420,1421,
 &end
#
#   75 GLY  HA+          76 GLY  HN          4.50    (#   1322:10  Unique         2.48, 2.62 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
#    0 AMB  10-2:1323   109 ILE  HN          5.50    (#   1323:10  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1729,1730,1791,
 &end
#
#  105 SER  HN          103 ALA  HN          5.50    (#   1324:10  Unique         4.26, 4.28 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=1569,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HA           93 TYR  HN          5.50    (#   1325:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 TYR  HD           97 TYR  HN          5.50    (#   1326:10  Unique         3.30, 4.05 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1462,1471,
 &end
#
#    0 AMB  10-2:1330    21 LYS  HN          4.50    (#   1330:10  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 257, 258, 259,
 &end
#
#    0 AMB  10-2:1331     0 AMB  10-1:1331   3.50    (#   1331:10  Double Ambig)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 853, 854,1616,1617,
 igr2= 843,1609,
 &end
#
#   26 ARG  HG+          41 LYS  HN          5.50    (#   1334:10  Unique         3.07, 3.83 A)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 391, 392,
 &end
#
#   64 MET  HB2          61 SER  HN          7.00    (#   1335:10  Unique         5.01, 5.08 A)
 &rst
  ixpk= 1335, nxpk= 10, iat= 967, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   78 ARG  HB-          78 ARG  HN          5.50    (#   1338:10  Unique         2.66, 3.05 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1147,1148,
 &end
#
#    0 AMB  10-2:1339    78 ARG  HN          4.50    (#   1339:10  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1377,1382,1536,
 &end
#
#   91 TYR  HN           78 ARG  HN          4.50    (#   1340:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 1340, nxpk= 10, iat=1367,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HA           45 ARG  HE          5.50    (#   1341:10  Unique         2.78, 3.17 A)
 &rst
  ixpk= 1341, nxpk= 10, iat= 164, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HD           93 TYR  HN          5.50    (#   1342:10  Unique         2.91, 4.01 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#   93 TYR  HD           94 SER  HN          5.50    (#   1344:10  Unique         3.25, 4.56 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1412,
 &end
#
#   52 TYR  HD           55 ASP  HN          5.50    (#   1345:10  Unique         2.53, 4.21 A)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 800,
 &end
#
#   96 ALA  HA           97 TYR  HN          7.00    (#   1349:10  Unique         3.24, 3.51 A)
 &rst
  ixpk= 1349, nxpk= 10, iat=1446,1454, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   94 SER  HB-          97 TYR  HN          7.00    (#   1351:10  Unique         2.11, 2.98 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1420,1421,
 &end
#
#    6 LEU  HN            5 ASP  HN          5.50    (#   1353:10  Unique         4.32, 4.35 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  69,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1354   120 TRP  HE1         7.00    (#   1354:10  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1584,1525,
 &end
#
#    0 AMB  10-2:1355     0 AMB  10-1:1355   5.50    (#   1355:10  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 123, 124, 125, 856, 857, 858, 130, 131, 132,
 igr2=1031,1032, 684,
 &end
# 1904 atoms read from pdb file sa_1.pdb.
# 6 LEU PHI:  (5 ASP C)-(6 LEU N)-(6 LEU CA)-(6 LEU C) -90.0 -30.0
 &rst     iat =    66,    68,    70,    85,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	  rk2 =   50, rk3 =   50,				&end

# 6 LEU PSI:  (6 LEU N)-(6 LEU CA)-(6 LEU C)-(7 ALA N) -80.0 -20.0
 &rst     iat =    68,    70,    85,    87,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 7 ALA PHI:  (6 LEU C)-(7 ALA N)-(7 ALA CA)-(7 ALA C) -90.0 -30.0
 &rst     iat =    85,    87,    89,    95,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 7 ALA PSI:  (7 ALA N)-(7 ALA CA)-(7 ALA C)-(8 LEU N) -80.0 -20.0
 &rst     iat =    87,    89,    95,    97,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 14 ILE PHI:  (13 ASP C)-(14 ILE N)-(14 ILE CA)-(14 ILE C) -154.1 -94.1
 &rst     iat =   187,   189,   191,   206,
	  r1 = -155.1, r2 = -154.1, r3 = -94.1, r4 = -93.1,
	&end

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 ASP N) 116.7 176.7
 &rst     iat =   189,   191,   206,   208,
	  r1 = 115.7, r2 = 116.7, r3 = 176.7, r4 = 177.7,
	&end

# 22 TYR PHI:  (21 LYS C)-(22 TYR N)-(22 TYR CA)-(22 TYR C) -159.0 -119.0
 &rst     iat =   306,   308,   310,   327,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 23 VAL PHI:  (22 TYR C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) -169.0 -109.0
 &rst     iat =   327,   329,   331,   343,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 LEU N) 105.0 165.0
 &rst     iat =   329,   331,   343,   345,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 24 LEU PHI:  (23 VAL C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -159.0 -119.0
 &rst     iat =   343,   345,   347,   362,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 ILE N) 115.0 155.0
 &rst     iat =   345,   347,   362,   364,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 25 ILE PHI:  (24 LEU C)-(25 ILE N)-(25 ILE CA)-(25 ILE C) -169.0 -109.0
 &rst     iat =   362,   364,   366,   381,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 25 ILE PSI:  (25 ILE N)-(25 ILE CA)-(25 ILE C)-(26 ARG N) 105.0 165.0
 &rst     iat =   364,   366,   381,   383,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 26 ARG PSI:  (26 ARG N)-(26 ARG CA)-(26 ARG C)-(27 VAL N) 105.0 165.0
 &rst     iat =   383,   385,   405,   407,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 27 VAL PHI:  (26 ARG C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -159.0 -119.0
 &rst     iat =   405,   407,   409,   421,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 HIS N) 115.0 155.0
 &rst     iat =   407,   409,   421,   423,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 28 HIS PSI:  (28 HIS N)-(28 HIS CA)-(28 HIS C)-(29 SER N) 105.0 165.0
 &rst     iat =   423,   425,   438,   440,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 LYS N) 115.0 155.0
 &rst     iat =   576,   578,   585,   587,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 42 GLU PSI:  (42 GLU N)-(42 GLU CA)-(42 GLU C)-(43 ILE N) 105.0 165.0
 &rst     iat =   609,   611,   622,   624,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 43 ILE PSI:  (43 ILE N)-(43 ILE CA)-(43 ILE C)-(44 VAL N) 115.0 155.0
 &rst     iat =   624,   626,   641,   643,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 44 VAL PHI:  (43 ILE C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -159.0 -119.0
 &rst     iat =   641,   643,   645,   657,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 ARG N) 115.0 155.0
 &rst     iat =   643,   645,   657,   659,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 45 ARG PHI:  (44 VAL C)-(45 ARG N)-(45 ARG CA)-(45 ARG C) -169.0 -109.0
 &rst     iat =   657,   659,   661,   681,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 45 ARG PSI:  (45 ARG N)-(45 ARG CA)-(45 ARG C)-(46 GLY N) 105.0 165.0
 &rst     iat =   659,   661,   681,   683,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 53 HIS PHI:  (52 TYR C)-(53 HIS N)-(53 HIS CA)-(53 HIS C) -80.0 -40.0
 &rst     iat =   801,   803,   805,   818,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 53 HIS PSI:  (53 HIS N)-(53 HIS CA)-(53 HIS C)-(54 ALA N) -70.0 -30.0
 &rst     iat =   803,   805,   818,   820,
	  r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
	&end

# 54 ALA PHI:  (53 HIS C)-(54 ALA N)-(54 ALA CA)-(54 ALA C) -90.0 -30.0
 &rst     iat =   818,   820,   822,   828,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 54 ALA PSI:  (54 ALA N)-(54 ALA CA)-(54 ALA C)-(55 ASP N) -80.0 -20.0
 &rst     iat =   820,   822,   828,   830,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 55 ASP PHI:  (54 ALA C)-(55 ASP N)-(55 ASP CA)-(55 ASP C) -90.0 -30.0
 &rst     iat =   828,   830,   832,   840,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 55 ASP PSI:  (55 ASP N)-(55 ASP CA)-(55 ASP C)-(56 ILE N) -80.0 -20.0
 &rst     iat =   830,   832,   840,   842,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 56 ILE PHI:  (55 ASP C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -90.0 -30.0
 &rst     iat =   840,   842,   844,   859,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 TYR N) -80.0 -20.0
 &rst     iat =   842,   844,   859,   861,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 57 TYR PHI:  (56 ILE C)-(57 TYR N)-(57 TYR CA)-(57 TYR C) -90.0 -30.0
 &rst     iat =   859,   861,   863,   880,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 57 TYR PSI:  (57 TYR N)-(57 TYR CA)-(57 TYR C)-(58 ASP N) -80.0 -20.0
 &rst     iat =   861,   863,   880,   882,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 58 ASP PHI:  (57 TYR C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -90.0 -30.0
 &rst     iat =   880,   882,   884,   892,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 LYS N) -80.0 -20.0
 &rst     iat =   882,   884,   892,   894,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 59 LYS PHI:  (58 ASP C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -90.0 -30.0
 &rst     iat =   892,   894,   896,   914,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 59 LYS PSI:  (59 LYS N)-(59 LYS CA)-(59 LYS C)-(60 VAL N) -80.0 -20.0
 &rst     iat =   894,   896,   914,   916,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 60 VAL PSI:  (60 VAL N)-(60 VAL CA)-(60 VAL C)-(61 SER N) -80.0 -20.0
 &rst     iat =   916,   918,   930,   932,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 61 SER PHI:  (60 VAL C)-(61 SER N)-(61 SER CA)-(61 SER C) -90.0 -30.0
 &rst     iat =   930,   932,   934,   941,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 61 SER PSI:  (61 SER N)-(61 SER CA)-(61 SER C)-(62 GLY N) -80.0 -20.0
 &rst     iat =   932,   934,   941,   943,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 62 GLY PHI:  (61 SER C)-(62 GLY N)-(62 GLY CA)-(62 GLY C) -90.0 -30.0
 &rst     iat =   941,   943,   945,   948,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 62 GLY PSI:  (62 GLY N)-(62 GLY CA)-(62 GLY C)-(63 ASP N) -80.0 -20.0
 &rst     iat =   943,   945,   948,   950,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 63 ASP PHI:  (62 GLY C)-(63 ASP N)-(63 ASP CA)-(63 ASP C) -80.0 -40.0
 &rst     iat =   948,   950,   952,   960,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 63 ASP PSI:  (63 ASP N)-(63 ASP CA)-(63 ASP C)-(64 MET N) -70.0 -30.0
 &rst     iat =   950,   952,   960,   962,
	  r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
	&end

# 64 MET PHI:  (63 ASP C)-(64 MET N)-(64 MET CA)-(64 MET C) -90.0 -30.0
 &rst     iat =   960,   962,   964,   977,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 64 MET PSI:  (64 MET N)-(64 MET CA)-(64 MET C)-(65 GLN N) -80.0 -20.0
 &rst     iat =   962,   964,   977,   979,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 65 GLN PHI:  (64 MET C)-(65 GLN N)-(65 GLN CA)-(65 GLN C) -90.0 -30.0
 &rst     iat =   977,   979,   981,   994,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 65 GLN PSI:  (65 GLN N)-(65 GLN CA)-(65 GLN C)-(66 LYS N) -80.0 -20.0
 &rst     iat =   979,   981,   994,   996,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 66 LYS PHI:  (65 GLN C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -90.0 -30.0
 &rst     iat =   994,   996,   998,  1016,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 66 LYS PSI:  (66 LYS N)-(66 LYS CA)-(66 LYS C)-(67 GLN N) -80.0 -20.0
 &rst     iat =   996,   998,  1016,  1018,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 71 CYS PHI:  (70 ASP C)-(71 CYS N)-(71 CYS CA)-(71 CYS C) -169.0 -109.0
 &rst     iat =  1063,  1065,  1067,  1074,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 71 CYS PSI:  (71 CYS N)-(71 CYS CA)-(71 CYS C)-(72 GLU N) 105.0 165.0
 &rst     iat =  1065,  1067,  1074,  1076,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 72 GLU PHI:  (71 CYS C)-(72 GLU N)-(72 GLU CA)-(72 GLU C) -169.0 -109.0
 &rst     iat =  1074,  1076,  1078,  1089,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 72 GLU PSI:  (72 GLU N)-(72 GLU CA)-(72 GLU C)-(73 CYS N) 105.0 165.0
 &rst     iat =  1076,  1078,  1089,  1091,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 78 ARG PHI:  (77 GLY C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -159.0 -119.0
 &rst     iat =  1140,  1142,  1144,  1164,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 78 ARG PSI:  (78 ARG N)-(78 ARG CA)-(78 ARG C)-(79 ILE N) 105.0 165.0
 &rst     iat =  1142,  1144,  1164,  1166,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 79 ARG PSI:  (79 ILE N)-(79 ILE CA)-(79 ILE C)-(80 SER N) 115.0 155.0
 &rst     iat =  1166,  1168,  1183,  1185,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 80 ARG PHI:  (79 ILE C)-(80 SER N)-(80 SER CA)-(80 SER C) -159.0 -119.0
 &rst     iat =  1183,  1185,  1187,  1194,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 89 HIS PSI:  (89 HIS N)-(89 HIS CA)-(89 HIS C)-(90 VAL N) 105.0 165.0
 &rst     iat =  1333,  1335,  1348,  1350,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 90 VAL PSI:  (90 VAL N)-(90 VAL CA)-(90 VAL C)-(91 TYR N) 115.0 155.0
 &rst     iat =  1350,  1352,  1364,  1366,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 91 TYR PHI:  (90 VAL C)-(91 TYR N)-(91 TYR CA)-(91 TYR C) -159.0 -119.0
 &rst     iat =  1364,  1366,  1368,  1385,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 103 ALA PHI:  (102 HIS C)-(103 ALA N)-(103 ALA CA)-(103 ALA C) -90.0 -30.0
 &rst     iat =  1537,  1539,  1541,  1547,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 103 ALA PSI:  (103 ALA N)-(103 ALA CA)-(103 ALA C)-(104 ILE N) -80.0 -20.0
 &rst     iat =  1539,  1541,  1547,  1549,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 104 ILE PHI:  (103 ALA C)-(104 ILE N)-(104 ILE CA)-(104 ILE C) -80.0 -40.0
 &rst     iat =  1547,  1549,  1551,  1566,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 104 ILE PSI:  (104 ILE N)-(104 ILE CA)-(104 ILE C)-(105 SER N) -70.0 -30.0
 &rst     iat =  1549,  1551,  1566,  1568,
	  r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
	&end

# 105 SER PHI:  (104 ILE C)-(105 SER N)-(105 SER CA)-(105 SER C) -90.0 -30.0
 &rst     iat =  1566,  1568,  1570,  1577,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 105 SER PSI:  (105 SER N)-(105 SER CA)-(105 SER C)-(106 THR N) -80.0 -20.0
 &rst     iat =  1568,  1570,  1577,  1579,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 106 THR PHI:  (105 SER C)-(106 THR N)-(106 THR CA)-(106 THR C) -90.0 -30.0
 &rst     iat =  1577,  1579,  1581,  1591,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 106 THR PSI:  (106 THR N)-(106 THR CA)-(106 THR C)-(107 GLU N) -80.0 -20.0
 &rst     iat =  1579,  1581,  1591,  1593,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 107 GLU PHI:  (106 THR C)-(107 GLU N)-(107 GLU CA)-(107 GLU C) -80.0 -40.0
 &rst     iat =  1591,  1593,  1595,  1606,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 107 GLU PSI:  (107 GLU N)-(107 GLU CA)-(107 GLU C)-(108 LYS N) -70.0 -30.0
 &rst     iat =  1593,  1595,  1606,  1608,
	  r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
	&end

# 108 LYS PHI:  (107 GLU C)-(108 LYS N)-(108 LYS CA)-(108 LYS C) -90.0 -30.0
 &rst     iat =  1606,  1608,  1610,  1628,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 108 LYS PSI:  (108 LYS N)-(108 LYS CA)-(108 LYS C)-(109 ILE N) -80.0 -20.0
 &rst     iat =  1608,  1610,  1628,  1630,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 109 ILE PHI:  (108 LYS C)-(109 ILE N)-(109 ILE CA)-(109 ILE C) -90.0 -30.0
 &rst     iat =  1628,  1630,  1632,  1647,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 109 ILE PSI:  (109 ILE N)-(109 ILE CA)-(109 ILE C)-(110 LYS N) -80.0 -20.0
 &rst     iat =  1630,  1632,  1647,  1649,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 110 LYS PHI:  (109 ILE C)-(110 LYS N)-(110 LYS CA)-(110 LYS C) -90.0 -30.0
 &rst     iat =  1647,  1649,  1651,  1669,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 110 LYS PSI:  (110 LYS N)-(110 LYS CA)-(110 LYS C)-(111 ALA N) -80.0 -20.0
 &rst     iat =  1649,  1651,  1669,  1671,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 111 ALA PHI:  (110 LYS C)-(111 ALA N)-(111 ALA CA)-(111 ALA C) -80.0 -40.0
 &rst     iat =  1669,  1671,  1673,  1679,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 111 ALA PSI:  (111 ALA N)-(111 ALA CA)-(111 ALA C)-(112 LYS N) -70.0 -30.0
 &rst     iat =  1671,  1673,  1679,  1681,
	  r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
	&end

# 112 LYS PHI:  (111 ALA C)-(112 LYS N)-(112 LYS CA)-(112 LYS C) -90.0 -30.0
 &rst     iat =  1679,  1681,  1683,  1701,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 112 LYS PSI:  (112 LYS N)-(112 LYS CA)-(112 LYS C)-(113 TYR N) -80.0 -20.0
 &rst     iat =  1681,  1683,  1701,  1703,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 119 THR PHI:  (118 VAL C)-(119 THR N)-(119 THR CA)-(119 THR C) -149.0 -89.0
 &rst     iat =  1800,  1802,  1804,  1814,
	  r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
	&end

# 120 TRP PHI:  (119 THR C)-(120 TRP N)-(120 TRP CA)-(120 TRP C) -149.0 -89.0
 &rst     iat =  1814,  1816,  1818,  1838,
	  r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
	&end

# 14 ILE PHI:  (13 ASP C)-(14 ILE N)-(14 ILE CA)-(14 ILE C) -170.0 -60.0
 &rst     iat =   187,   189,   191,   206,
	  r1 = -171.0, r2 = -170.0, r3 = -60.0, r4 = -59.0,
	&end

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 ASP N)  60.0 175.0
 &rst     iat =   189,   191,   206,   208,
	  r1 =  59.0, r2 =  60.0, r3 = 175.0, r4 = 176.0,
	&end

# 40 SER PHI:  (39 GLU C)-(40 SER N)-(40 SER CA)-(40 SER C) -170.0 -60.0
 &rst     iat =   574,   576,   578,   585,
	  r1 = -171.0, r2 = -170.0, r3 = -60.0, r4 = -59.0,
	&end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 LYS N)  60.0 175.0
 &rst     iat =   576,   578,   585,   587,
	  r1 =  59.0, r2 =  60.0, r3 = 175.0, r4 = 176.0,
	&end

# 51 GLU PHI:  (50 ALA C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -120.0 -30.0
 &rst     iat =   765,   767,   769,   780,
	  r1 = -121.0, r2 = -120.0, r3 = -30.0, r4 = -29.0,
	&end

# 51 GLU PSI:  (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 TYR N) -60.0  60.0
 &rst     iat =   767,   769,   780,   782,
	  r1 = -61.0, r2 = -60.0, r3 =  60.0, r4 =  61.0,
	&end

# 94 SER PSI:  (94 SER N)-(94 SER CA)-(94 SER C)-(95 MET N) 105.0 165.0
 &rst     iat =  1415,  1417,  1424,  1426,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 93 TYR PHI:  (92 GLY C)-(93 TYR N)-(93 TYR CA)-(93 TYR C) -169.0 -109.0
 &rst     iat =  1392,  1394,  1396,  1413,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 93 TYR PSI:  (93 TYR N)-(93 TYR CA)-(93 TYR C)-(94 SER N) 105.0 165.0
 &rst     iat =  1394,  1396,  1413,  1415,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 97 TYR PHI:  (96 ALA C)-(97 TYR N)-(97 TYR CA)-(97 TYR C) -169.0 -109.0
 &rst     iat =  1451,  1453,  1455,  1472,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end
#
# 8 LEU PHI:  (7 ALA C)-(8 LEU N)-(8 LEU CA)-(8 LEU C) -90.0 -30.0
 &rst     iat =    95,    97,    99,   114,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	  rk2 =   150, rk3 =   150,    &end

# 8 LEU PSI:  (8 LEU N)-(8 LEU CA)-(8 LEU C)-(9 ILE N) -70.0 -30.0
 &rst     iat =    97,    99,   114,   116,
	  r1 = -81.0, r2 = -80.0, r3 = -20.0, r4 = -19.0,
	&end

# 41 LYS PHI:  (40 SER C)-(41 LYS N)-(41 LYS CA)-(41 LYS C) -169.0 -109.0
 &rst     iat =   585,   587,   589,   607,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 121 ALA PSI:  (121 ALA N)-(121 ALA CA)-(121 ALA C)-(122 ASN N)  83.0 143.0
 &rst     iat =  1840,  1842,  1848,  1850,
	  r1 =  82.0, r2 =  83.0, r3 = 143.0, r4 = 144.0,
	&end

# 121 ALA PHI:  (120 TRP C)-(121 ALA N)-(121 ALA CA)-(121 ALA C) -149.0 -89.0
 &rst     iat =  1838,  1840,  1842,  1848,
	  r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
	&end

# 79 ARG PHI:  (78 ARG C)-(79 ILE N)-(79 ILE CA)-(79 ILE C) -169.0 -109.0
 &rst     iat =  1164,  1166,  1168,  1183,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 80 ARG PSI:  (80 SER N)-(80 SER CA)-(80 SER C)-(81 HIS N) 105.0 165.0
 &rst     iat =  1185,  1187,  1194,  1196,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 42 GLU PHI:  (41 LYS C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -169.0 -109.0
 &rst     iat =   607,   609,   611,   622,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 41 LYS PSI:  (41 LYS N)-(41 LYS CA)-(41 LYS C)-(42 GLU N) 105.0 165.0
 &rst     iat =   587,   589,   607,   609,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          H1        MET   1  12.942  12.267  17.692
    2   2H    MET   1          H2        MET   1  12.057  13.487  17.045
    3   3H    MET   1          H3        MET   1  11.301  12.205  17.712
    4    HA   MET   1           HA       MET   1  12.963  12.160  15.297
    5   1HB   MET   1          HB2       MET   1  13.132  10.062  16.622
    6   2HB   MET   1          HB3       MET   1  11.379   9.886  16.580
    7   1HG   MET   1          HG2       MET   1  12.514   8.439  14.945
    8   2HG   MET   1          HG3       MET   1  11.401   9.555  14.183
    9   1HE   MET   1          HE1       MET   1  16.031   9.681  13.854
   10   2HE   MET   1          HE2       MET   1  15.210   9.867  15.415
   11   3HE   MET   1          HE3       MET   1  15.090   8.331  14.526
   12    H    ALA   2           H        ALA   2  11.775  11.904  13.290
   13    HA   ALA   2           HA       ALA   2   8.849  12.218  13.361
   14   1HB   ALA   2          HB1       ALA   2   9.700  14.546  13.207
   15   2HB   ALA   2          HB2       ALA   2  10.732  14.083  11.833
   16   3HB   ALA   2          HB3       ALA   2   8.965  14.035  11.675
   17    H    VAL   3           H        VAL   3   7.907  11.322  11.492
   18    HA   VAL   3           HA       VAL   3   9.586   9.466   9.963
   19    HB   VAL   3           HB       VAL   3   7.170   9.172   8.830
   20   1HG1  VAL   3          HG11      VAL   3   6.710   7.402  10.522
   21   2HG1  VAL   3          HG12      VAL   3   8.067   8.024  11.489
   22   3HG1  VAL   3          HG13      VAL   3   8.331   7.389   9.840
   23   1HG2  VAL   3          HG21      VAL   3   6.061  10.992  10.157
   24   2HG2  VAL   3          HG22      VAL   3   5.321   9.398  10.348
   25   3HG2  VAL   3          HG23      VAL   3   6.351  10.035  11.637
   26    H    ALA   4           H        ALA   4  10.166   9.679   7.856
   27    HA   ALA   4           HA       ALA   4   9.729  12.243   6.500
   28   1HB   ALA   4          HB1       ALA   4  11.876  10.987   6.214
   29   2HB   ALA   4          HB2       ALA   4  10.983   9.663   5.439
   30   3HB   ALA   4          HB3       ALA   4  11.033  11.259   4.682
   31    H    ASP   5           H        ASP   5   8.916  11.769   4.003
   32    HA   ASP   5           HA       ASP   5   6.632   9.917   3.962
   33   1HB   ASP   5          HB2       ASP   5   5.655  11.943   4.966
   34   2HB   ASP   5          HB3       ASP   5   6.341  12.940   3.681
   35    H    LEU   6           H        LEU   6   5.871   9.641   1.770
   36    HA   LEU   6           HA       LEU   6   7.853   9.410  -0.170
   37   1HB   LEU   6          HB2       LEU   6   4.823   9.653  -0.408
   38   2HB   LEU   6          HB3       LEU   6   5.885   9.233  -1.729
   39    HG   LEU   6           HG       LEU   6   5.434   7.554   0.743
   40   1HD1  LEU   6          HD11      LEU   6   4.520   5.992  -1.067
   41   2HD1  LEU   6          HD12      LEU   6   3.553   7.436  -0.716
   42   3HD1  LEU   6          HD13      LEU   6   4.540   7.365  -2.172
   43   1HD2  LEU   6          HD21      LEU   6   7.725   7.183   0.086
   44   2HD2  LEU   6          HD22      LEU   6   6.775   5.818  -0.481
   45   3HD2  LEU   6          HD23      LEU   6   7.279   7.063  -1.635
   46    H    ALA   7           H        ALA   7   5.813  12.256   0.492
   47    HA   ALA   7           HA       ALA   7   6.422  13.581  -1.970
   48   1HB   ALA   7          HB1       ALA   7   5.455  14.703   0.694
   49   2HB   ALA   7          HB2       ALA   7   5.413  15.540  -0.870
   50   3HB   ALA   7          HB3       ALA   7   4.415  14.095  -0.618
   51    H    LEU   8           H        LEU   8   8.110  13.249   1.106
   52    HA   LEU   8           HA       LEU   8   9.785  15.643   0.718
   53   1HB   LEU   8          HB2       LEU   8   9.977  13.424   2.795
   54   2HB   LEU   8          HB3       LEU   8  10.878  14.933   2.793
   55    HG   LEU   8           HG       LEU   8   7.872  14.639   3.176
   56   1HD1  LEU   8          HD11      LEU   8  10.073  15.529   5.088
   57   2HD1  LEU   8          HD12      LEU   8   8.337  15.415   5.456
   58   3HD1  LEU   8          HD13      LEU   8   9.261  13.952   5.101
   59   1HD2  LEU   8          HD21      LEU   8   8.265  16.750   2.012
   60   2HD2  LEU   8          HD22      LEU   8   7.889  17.074   3.704
   61   3HD2  LEU   8          HD23      LEU   8   9.574  17.170   3.143
   62    H    ILE   9           H        ILE   9   9.874  12.196   0.022
   63    HA   ILE   9           HA       ILE   9  12.645  11.787  -0.261
   64    HB   ILE   9           HB       ILE   9  10.296  10.626  -1.807
   65   1HG1  ILE   9          HG12      ILE   9  11.913   9.605   0.575
   66   2HG1  ILE   9          HG13      ILE   9  10.251  10.204   0.626
   67   1HG2  ILE   9          HG21      ILE   9  12.362  10.327  -3.124
   68   2HG2  ILE   9          HG22      ILE   9  13.169   9.634  -1.705
   69   3HG2  ILE   9          HG23      ILE   9  11.811   8.795  -2.486
   70   1HD1  ILE   9          HD11      ILE   9  11.240   7.625  -0.598
   71   2HD1  ILE   9          HD12      ILE   9  10.068   7.869   0.705
   72   3HD1  ILE   9          HD13      ILE   9   9.638   8.307  -0.965
   73    HA   PRO  10           HA       PRO  10  13.541  14.701  -3.657
   74   1HB   PRO  10          HB2       PRO  10  15.692  12.653  -4.230
   75   2HB   PRO  10          HB3       PRO  10  15.817  14.438  -4.189
   76   1HG   PRO  10          HG2       PRO  10  16.697  12.949  -2.096
   77   2HG   PRO  10          HG3       PRO  10  15.777  14.461  -1.804
   78   1HD   PRO  10          HD2       PRO  10  14.775  11.607  -1.713
   79   2HD   PRO  10          HD3       PRO  10  14.442  12.967  -0.595
   80    H    ASP  11           H        ASP  11  12.411  14.679  -5.565
   81    HA   ASP  11           HA       ASP  11  11.241  12.158  -6.369
   82   1HB   ASP  11          HB2       ASP  11  10.204  14.554  -6.142
   83   2HB   ASP  11          HB3       ASP  11  10.802  14.796  -7.786
   84    H    VAL  12           H        VAL  12  13.591  14.395  -7.822
   85    HA   VAL  12           HA       VAL  12  14.343  12.368  -9.838
   86    HB   VAL  12           HB       VAL  12  13.859  15.312 -10.468
   87   1HG1  VAL  12          HG11      VAL  12  14.659  13.023 -12.316
   88   2HG1  VAL  12          HG12      VAL  12  14.291  14.692 -12.801
   89   3HG1  VAL  12          HG13      VAL  12  15.698  14.368 -11.799
   90   1HG2  VAL  12          HG21      VAL  12  12.071  14.513 -12.009
   91   2HG2  VAL  12          HG22      VAL  12  12.227  12.888 -11.291
   92   3HG2  VAL  12          HG23      VAL  12  11.676  14.265 -10.312
   93    H    ASP  13           H        ASP  13  16.593  12.346 -10.042
   94    HA   ASP  13           HA       ASP  13  18.161  14.694  -9.509
   95   1HB   ASP  13          HB2       ASP  13  18.045  13.888  -7.175
   96   2HB   ASP  13          HB3       ASP  13  18.582  12.286  -7.685
   97    H    ILE  14           H        ILE  14  19.408  14.605 -11.308
   98    HA   ILE  14           HA       ILE  14  20.503  12.050 -12.249
   99    HB   ILE  14           HB       ILE  14  19.723  12.510 -14.553
  100   1HG1  ILE  14          HG12      ILE  14  17.710  14.492 -13.391
  101   2HG1  ILE  14          HG13      ILE  14  19.188  14.978 -14.225
  102   1HG2  ILE  14          HG21      ILE  14  17.544  11.519 -14.340
  103   2HG2  ILE  14          HG22      ILE  14  18.551  10.898 -13.035
  104   3HG2  ILE  14          HG23      ILE  14  17.343  12.147 -12.689
  105   1HD1  ILE  14          HD11      ILE  14  17.351  15.083 -15.771
  106   2HD1  ILE  14          HD12      ILE  14  18.435  13.768 -16.264
  107   3HD1  ILE  14          HD13      ILE  14  16.895  13.405 -15.446
  108    H    ASP  15           H        ASP  15  22.234  12.339 -13.732
  109    HA   ASP  15           HA       ASP  15  23.712  14.873 -13.504
  110   1HB   ASP  15          HB2       ASP  15  24.790  12.606 -13.542
  111   2HB   ASP  15          HB3       ASP  15  24.266  12.420 -15.218
  112    H    SER  16           H        SER  16  24.474  15.853 -15.755
  113    HA   SER  16           HA       SER  16  22.324  15.828 -17.810
  114   1HB   SER  16          HB2       SER  16  23.180  18.366 -16.349
  115   2HB   SER  16          HB3       SER  16  21.973  18.241 -17.634
  116    HG   SER  16           HG       SER  16  21.795  17.089 -15.045
  117    H    ASP  17           H        ASP  17  25.449  15.329 -17.517
  118    HA   ASP  17           HA       ASP  17  26.353  17.388 -19.471
  119   1HB   ASP  17          HB2       ASP  17  27.253  17.469 -17.154
  120   2HB   ASP  17          HB3       ASP  17  27.981  15.883 -17.413
  121    H    GLY  18           H        GLY  18  25.131  14.714 -20.272
  122   1HA   GLY  18          HA2       GLY  18  26.422  14.431 -22.616
  123   2HA   GLY  18          HA3       GLY  18  27.418  13.397 -21.595
  124    H    VAL  19           H        VAL  19  26.927  11.345 -21.673
  125    HA   VAL  19           HA       VAL  19  24.151  10.411 -22.138
  126    HB   VAL  19           HB       VAL  19  26.717   9.458 -23.492
  127   1HG1  VAL  19          HG11      VAL  19  23.884   8.353 -23.669
  128   2HG1  VAL  19          HG12      VAL  19  25.223   7.896 -24.747
  129   3HG1  VAL  19          HG13      VAL  19  25.315   7.523 -23.024
  130   1HG2  VAL  19          HG21      VAL  19  25.857  11.497 -24.560
  131   2HG2  VAL  19          HG22      VAL  19  25.593  10.101 -25.604
  132   3HG2  VAL  19          HG23      VAL  19  24.239  10.775 -24.678
  133    H    PHE  20           H        PHE  20  23.587   8.917 -20.618
  134    HA   PHE  20           HA       PHE  20  25.493   7.233 -19.209
  135   1HB   PHE  20          HB2       PHE  20  24.937   8.201 -16.972
  136   2HB   PHE  20          HB3       PHE  20  25.916   9.266 -17.959
  137    HD1  PHE  20           HD1      PHE  20  22.583   8.755 -16.445
  138    HD2  PHE  20           HD2      PHE  20  25.005  11.365 -18.884
  139    HE1  PHE  20           HE1      PHE  20  20.852  10.527 -16.279
  140    HE2  PHE  20           HE2      PHE  20  23.249  13.114 -18.749
  141    HZ   PHE  20           HZ       PHE  20  21.159  12.675 -17.480
  142    H    LYS  21           H        LYS  21  24.158   6.024 -17.402
  143    HA   LYS  21           HA       LYS  21  21.610   5.270 -18.751
  144   1HB   LYS  21          HB2       LYS  21  23.495   3.707 -16.962
  145   2HB   LYS  21          HB3       LYS  21  21.938   3.103 -17.545
  146   1HG   LYS  21          HG2       LYS  21  22.641   3.226 -19.865
  147   2HG   LYS  21          HG3       LYS  21  24.134   4.072 -19.426
  148   1HD   LYS  21          HD2       LYS  21  24.792   2.068 -18.062
  149   2HD   LYS  21          HD3       LYS  21  23.427   1.186 -18.781
  150   1HE   LYS  21          HE2       LYS  21  24.366   1.606 -21.049
  151   2HE   LYS  21          HE3       LYS  21  25.673   2.559 -20.336
  152   1HZ   LYS  21          HZ1       LYS  21  26.354   0.509 -19.136
  153   2HZ   LYS  21          HZ2       LYS  21  25.254  -0.346 -19.994
  154   3HZ   LYS  21          HZ3       LYS  21  26.490   0.385 -20.768
  155    H    TYR  22           H        TYR  22  19.821   4.567 -17.397
  156    HA   TYR  22           HA       TYR  22  19.669   5.911 -14.774
  157   1HB   TYR  22          HB2       TYR  22  18.496   7.648 -15.516
  158   2HB   TYR  22          HB3       TYR  22  18.865   7.173 -17.148
  159    HD1  TYR  22           HD1      TYR  22  17.271   5.473 -18.267
  160    HD2  TYR  22           HD2      TYR  22  16.267   7.683 -14.715
  161    HE1  TYR  22           HE1      TYR  22  14.907   4.808 -18.531
  162    HE2  TYR  22           HE2      TYR  22  13.877   7.098 -15.018
  163    HH   TYR  22           HH       TYR  22  12.326   6.016 -16.345
  164    H    VAL  23           H        VAL  23  17.445   5.473 -13.795
  165    HA   VAL  23           HA       VAL  23  16.164   2.994 -14.642
  166    HB   VAL  23           HB       VAL  23  18.135   2.367 -13.201
  167   1HG1  VAL  23          HG11      VAL  23  16.584   3.721 -10.958
  168   2HG1  VAL  23          HG12      VAL  23  18.028   2.710 -10.774
  169   3HG1  VAL  23          HG13      VAL  23  18.119   4.264 -11.627
  170   1HG2  VAL  23          HG21      VAL  23  16.259   0.847 -13.433
  171   2HG2  VAL  23          HG22      VAL  23  16.972   0.750 -11.823
  172   3HG2  VAL  23          HG23      VAL  23  15.432   1.605 -12.052
  173    H    LEU  24           H        LEU  24  14.073   2.743 -13.589
  174    HA   LEU  24           HA       LEU  24  12.992   5.232 -12.339
  175   1HB   LEU  24          HB2       LEU  24  12.181   4.778 -14.677
  176   2HB   LEU  24          HB3       LEU  24  11.616   3.200 -14.158
  177    HG   LEU  24           HG       LEU  24   9.984   4.373 -12.583
  178   1HD1  LEU  24          HD11      LEU  24  10.896   6.866 -14.085
  179   2HD1  LEU  24          HD12      LEU  24   9.550   6.750 -12.930
  180   3HD1  LEU  24          HD13      LEU  24  11.198   6.537 -12.361
  181   1HD2  LEU  24          HD21      LEU  24   9.299   3.567 -14.805
  182   2HD2  LEU  24          HD22      LEU  24   8.446   5.046 -14.352
  183   3HD2  LEU  24          HD23      LEU  24   9.778   5.125 -15.527
  184    H    ILE  25           H        ILE  25  12.617   4.730 -10.154
  185    HA   ILE  25           HA       ILE  25  11.953   1.889  -9.583
  186    HB   ILE  25           HB       ILE  25  13.494   1.572  -8.174
  187   1HG1  ILE  25          HG12      ILE  25  13.395   4.309  -6.891
  188   2HG1  ILE  25          HG13      ILE  25  12.362   2.960  -6.423
  189   1HG2  ILE  25          HG21      ILE  25  15.628   2.736  -8.304
  190   2HG2  ILE  25          HG22      ILE  25  14.882   2.628  -9.896
  191   3HG2  ILE  25          HG23      ILE  25  14.840   4.165  -8.984
  192   1HD1  ILE  25          HD11      ILE  25  15.374   3.047  -6.154
  193   2HD1  ILE  25          HD12      ILE  25  14.154   3.036  -4.877
  194   3HD1  ILE  25          HD13      ILE  25  14.362   1.599  -5.900
  195    H    ARG  26           H        ARG  26  10.265   1.433  -8.438
  196    HA   ARG  26           HA       ARG  26   8.418   3.558  -7.580
  197   1HB   ARG  26          HB2       ARG  26   7.604   1.521  -8.703
  198   2HB   ARG  26          HB3       ARG  26   8.308   0.501  -7.454
  199   1HG   ARG  26          HG2       ARG  26   6.764   1.200  -5.803
  200   2HG   ARG  26          HG3       ARG  26   6.292   2.652  -6.700
  201   1HD   ARG  26          HD2       ARG  26   5.724  -0.163  -7.711
  202   2HD   ARG  26          HD3       ARG  26   4.593   0.769  -6.701
  203    HE   ARG  26           HE       ARG  26   5.365   2.460  -8.825
  204   1HH1  ARG  26          HH21      ARG  26   3.577  -0.624  -8.655
  205   2HH1  ARG  26          HH22      ARG  26   2.556  -0.205  -9.980
  206   1HH2  ARG  26          HH11      ARG  26   4.103   3.035 -10.304
  207   2HH2  ARG  26          HH12      ARG  26   2.850   1.998 -11.023
  208    H    VAL  27           H        VAL  27   7.977   3.968  -5.417
  209    HA   VAL  27           HA       VAL  27   9.626   2.656  -3.329
  210    HB   VAL  27           HB       VAL  27   8.924   5.619  -3.556
  211   1HG1  VAL  27          HG11      VAL  27   9.911   4.006  -1.376
  212   2HG1  VAL  27          HG12      VAL  27  11.149   5.184  -1.817
  213   3HG1  VAL  27          HG13      VAL  27   9.513   5.723  -1.409
  214   1HG2  VAL  27          HG21      VAL  27  11.599   4.336  -4.210
  215   2HG2  VAL  27          HG22      VAL  27  10.521   5.202  -5.331
  216   3HG2  VAL  27          HG23      VAL  27  11.300   6.080  -4.021
  217    H    HIS  28           H        HIS  28   8.310   1.903  -1.721
  218    HA   HIS  28           HA       HIS  28   5.421   2.630  -1.705
  219   1HB   HIS  28          HB2       HIS  28   6.950   0.412  -0.290
  220   2HB   HIS  28          HB3       HIS  28   5.199   0.613  -0.350
  221    HD1  HIS  28           HD1      HIS  28   4.321   0.657  -3.192
  222    HD2  HIS  28           HD2      HIS  28   7.853  -1.308  -2.008
  223    HE1  HIS  28           HE1      HIS  28   4.830  -1.064  -4.999
  224    H    SER  29           H        SER  29   4.433   3.340   0.210
  225    HA   SER  29           HA       SER  29   5.925   5.052   1.922
  226   1HB   SER  29          HB2       SER  29   3.163   3.880   2.365
  227   2HB   SER  29          HB3       SER  29   3.840   5.295   3.178
  228    HG   SER  29           HG       SER  29   3.271   4.986   0.408
  229    H    ALA  30           H        ALA  30   7.580   3.925   3.035
  230    HA   ALA  30           HA       ALA  30   6.576   2.732   5.497
  231   1HB   ALA  30          HB1       ALA  30   6.935   0.755   4.059
  232   2HB   ALA  30          HB2       ALA  30   8.633   1.207   3.847
  233   3HB   ALA  30          HB3       ALA  30   8.022   0.767   5.448
  234    HA   PRO  31           HA       PRO  31  10.796   5.288   5.786
  235   1HB   PRO  31          HB2       PRO  31   8.742   7.395   6.499
  236   2HB   PRO  31          HB3       PRO  31  10.471   7.603   6.058
  237   1HG   PRO  31          HG2       PRO  31   8.547   7.921   4.172
  238   2HG   PRO  31          HG3       PRO  31  10.035   7.005   3.784
  239   1HD   PRO  31          HD2       PRO  31   7.290   5.955   4.442
  240   2HD   PRO  31          HD3       PRO  31   8.502   5.349   3.279
  241    H    ARG  32           H        ARG  32  11.698   5.104   7.694
  242    HA   ARG  32           HA       ARG  32  12.105   4.282   9.734
  243   1HB   ARG  32          HB2       ARG  32   9.920   6.138  10.655
  244   2HB   ARG  32          HB3       ARG  32  11.335   5.663  11.554
  245   1HG   ARG  32          HG2       ARG  32  11.648   7.317   8.990
  246   2HG   ARG  32          HG3       ARG  32  11.143   8.027  10.510
  247   1HD   ARG  32          HD2       ARG  32  13.375   8.423  10.509
  248   2HD   ARG  32          HD3       ARG  32  13.210   7.038  11.592
  249    HE   ARG  32           HE       ARG  32  13.802   6.134   8.922
  250   1HH1  ARG  32          HH21      ARG  32  15.293   7.955  11.580
  251   2HH1  ARG  32          HH22      ARG  32  16.912   7.506  11.193
  252   1HH2  ARG  32          HH11      ARG  32  16.038   5.477   8.421
  253   2HH2  ARG  32          HH12      ARG  32  17.318   6.082   9.393
  254    H    SER  33           H        SER  33   9.847   2.831   8.263
  255    HA   SER  33           HA       SER  33   8.227   1.355   8.549
  256   1HB   SER  33          HB2       SER  33   9.560   0.702  11.200
  257   2HB   SER  33          HB3       SER  33   8.535  -0.361  10.222
  258    HG   SER  33           HG       SER  33  10.767  -0.766   9.904
  259    H    GLY  34           H        GLY  34   7.583   4.066   9.402
  260   1HA   GLY  34          HA2       GLY  34   5.324   3.482  11.269
  261   2HA   GLY  34          HA3       GLY  34   6.474   4.779  11.615
  262    H    ALA  35           H        ALA  35   5.933   4.460   8.235
  263    HA   ALA  35           HA       ALA  35   4.682   6.989   7.984
  264   1HB   ALA  35          HB1       ALA  35   6.052   5.955   6.247
  265   2HB   ALA  35          HB2       ALA  35   4.836   4.669   6.010
  266   3HB   ALA  35          HB3       ALA  35   4.449   6.354   5.602
  267    HA   PRO  36           HA       PRO  36   0.546   6.023   8.918
  268   1HB   PRO  36          HB2       PRO  36  -0.881   8.061   7.803
  269   2HB   PRO  36          HB3       PRO  36   0.373   8.340   9.047
  270   1HG   PRO  36          HG2       PRO  36   0.691   8.517   6.027
  271   2HG   PRO  36          HG3       PRO  36   1.130   9.752   7.254
  272   1HD   PRO  36          HD2       PRO  36   2.967   7.999   6.284
  273   2HD   PRO  36          HD3       PRO  36   2.973   8.484   8.007
  274    H    ALA  37           H        ALA  37   1.440   5.361   5.714
  275    HA   ALA  37           HA       ALA  37  -1.173   4.195   5.009
  276   1HB   ALA  37          HB1       ALA  37   0.219   6.341   3.332
  277   2HB   ALA  37          HB2       ALA  37  -1.290   5.491   2.918
  278   3HB   ALA  37          HB3       ALA  37  -1.249   6.597   4.300
  279    H    ALA  38           H        ALA  38  -0.824   3.391   2.557
  280    HA   ALA  38           HA       ALA  38   1.891   2.298   2.117
  281   1HB   ALA  38          HB1       ALA  38  -0.661   0.657   1.921
  282   2HB   ALA  38          HB2       ALA  38   0.991   0.125   1.522
  283   3HB   ALA  38          HB3       ALA  38   0.571   0.508   3.201
  284    H    GLU  39           H        GLU  39   0.875   4.624   1.081
  285    HA   GLU  39           HA       GLU  39  -0.049   4.206  -1.638
  286   1HB   GLU  39          HB2       GLU  39   1.266   6.554  -0.188
  287   2HB   GLU  39          HB3       GLU  39   0.712   6.648  -1.852
  288   1HG   GLU  39          HG2       GLU  39  -1.183   5.933   0.425
  289   2HG   GLU  39          HG3       GLU  39  -0.792   7.591   0.018
  290    H    SER  40           H        SER  40   1.491   4.997  -3.491
  291    HA   SER  40           HA       SER  40   4.335   4.489  -2.959
  292   1HB   SER  40          HB2       SER  40   2.947   3.139  -5.292
  293   2HB   SER  40          HB3       SER  40   4.603   2.908  -4.727
  294    HG   SER  40           HG       SER  40   2.212   2.165  -3.374
  295    H    LYS  41           H        LYS  41   5.700   5.256  -4.717
  296    HA   LYS  41           HA       LYS  41   4.569   6.805  -6.895
  297   1HB   LYS  41          HB2       LYS  41   5.815   8.909  -6.347
  298   2HB   LYS  41          HB3       LYS  41   4.443   8.560  -5.324
  299   1HG   LYS  41          HG2       LYS  41   5.956   9.361  -3.844
  300   2HG   LYS  41          HG3       LYS  41   6.079   7.627  -3.604
  301   1HD   LYS  41          HD2       LYS  41   8.243   8.550  -3.398
  302   2HD   LYS  41          HD3       LYS  41   8.208   7.601  -4.875
  303   1HE   LYS  41          HE2       LYS  41   9.445   9.696  -5.133
  304   2HE   LYS  41          HE3       LYS  41   8.076   9.626  -6.235
  305   1HZ   LYS  41          HZ1       LYS  41   8.294  11.762  -5.260
  306   2HZ   LYS  41          HZ2       LYS  41   6.897  11.127  -4.710
  307   3HZ   LYS  41          HZ3       LYS  41   8.189  11.190  -3.698
  308    H    GLU  42           H        GLU  42   6.468   7.694  -8.276
  309    HA   GLU  42           HA       GLU  42   8.671   5.680  -8.172
  310   1HB   GLU  42          HB2       GLU  42   7.364   7.064 -10.555
  311   2HB   GLU  42          HB3       GLU  42   8.884   6.166 -10.626
  312   1HG   GLU  42          HG2       GLU  42   7.276   4.678 -11.359
  313   2HG   GLU  42          HG3       GLU  42   7.756   4.183  -9.708
  314    H    ILE  43           H        ILE  43  10.778   6.405  -8.667
  315    HA   ILE  43           HA       ILE  43  11.196   9.337  -8.801
  316    HB   ILE  43           HB       ILE  43  13.197   9.100  -7.402
  317   1HG1  ILE  43          HG12      ILE  43  12.205   6.312  -6.697
  318   2HG1  ILE  43          HG13      ILE  43  13.610   6.652  -7.708
  319   1HG2  ILE  43          HG21      ILE  43  12.051   9.202  -5.306
  320   2HG2  ILE  43          HG22      ILE  43  10.941   9.796  -6.542
  321   3HG2  ILE  43          HG23      ILE  43  10.748   8.142  -5.901
  322   1HD1  ILE  43          HD11      ILE  43  13.334   7.396  -4.763
  323   2HD1  ILE  43          HD12      ILE  43  14.316   6.101  -5.447
  324   3HD1  ILE  43          HD13      ILE  43  14.721   7.790  -5.805
  325    H    VAL  44           H        VAL  44  13.121   9.944  -9.830
  326    HA   VAL  44           HA       VAL  44  13.964   8.013 -11.954
  327    HB   VAL  44           HB       VAL  44  13.558  11.035 -11.946
  328   1HG1  VAL  44          HG11      VAL  44  15.365  10.416 -13.517
  329   2HG1  VAL  44          HG12      VAL  44  14.285   9.238 -14.293
  330   3HG1  VAL  44          HG13      VAL  44  13.922  10.970 -14.369
  331   1HG2  VAL  44          HG21      VAL  44  11.400   9.819 -11.952
  332   2HG2  VAL  44          HG22      VAL  44  11.699  10.635 -13.484
  333   3HG2  VAL  44          HG23      VAL  44  11.943   8.883 -13.364
  334    H    ARG  45           H        ARG  45  16.109   7.511 -11.930
  335    HA   ARG  45           HA       ARG  45  18.082   9.432 -10.795
  336   1HB   ARG  45          HB2       ARG  45  17.858   6.439 -10.184
  337   2HB   ARG  45          HB3       ARG  45  19.269   7.416  -9.795
  338   1HG   ARG  45          HG2       ARG  45  16.477   7.792  -8.639
  339   2HG   ARG  45          HG3       ARG  45  17.828   7.042  -7.843
  340   1HD   ARG  45          HD2       ARG  45  18.506   8.977  -7.011
  341   2HD   ARG  45          HD3       ARG  45  18.830   9.554  -8.644
  342    HE   ARG  45           HE       ARG  45  16.636  10.418  -8.824
  343   1HH1  ARG  45          HH21      ARG  45  17.466   9.545  -5.471
  344   2HH1  ARG  45          HH22      ARG  45  16.005  10.183  -4.808
  345   1HH2  ARG  45          HH11      ARG  45  14.709  11.204  -7.952
  346   2HH2  ARG  45          HH12      ARG  45  14.415  11.164  -6.248
  347    H    GLY  46           H        GLY  46  20.095   9.347 -11.873
  348   1HA   GLY  46          HA2       GLY  46  20.966   7.187 -13.465
  349   2HA   GLY  46          HA3       GLY  46  20.227   8.401 -14.528
  350    H    TYR  47           H        TYR  47  23.137   7.455 -13.699
  351    HA   TYR  47           HA       TYR  47  24.314  10.157 -13.712
  352   1HB   TYR  47          HB2       TYR  47  25.118   8.144 -11.586
  353   2HB   TYR  47          HB3       TYR  47  25.653   9.804 -11.745
  354    HD1  TYR  47           HD1      TYR  47  24.244  11.669 -10.883
  355    HD2  TYR  47           HD2      TYR  47  23.003   7.557 -10.615
  356    HE1  TYR  47           HE1      TYR  47  22.621  12.282  -9.115
  357    HE2  TYR  47           HE2      TYR  47  21.358   8.154  -8.849
  358    HH   TYR  47           HH       TYR  47  21.058  11.506  -7.584
  359    H    LYS  48           H        LYS  48  26.503  10.099 -14.380
  360    HA   LYS  48           HA       LYS  48  27.251   8.043 -16.171
  361   1HB   LYS  48          HB2       LYS  48  27.926  10.325 -16.406
  362   2HB   LYS  48          HB3       LYS  48  28.767  10.326 -14.853
  363   1HG   LYS  48          HG2       LYS  48  30.548   9.003 -15.672
  364   2HG   LYS  48          HG3       LYS  48  29.658   8.526 -17.135
  365   1HD   LYS  48          HD2       LYS  48  29.832  10.668 -18.109
  366   2HD   LYS  48          HD3       LYS  48  30.231  11.455 -16.573
  367   1HE   LYS  48          HE2       LYS  48  32.418  10.400 -16.513
  368   2HE   LYS  48          HE3       LYS  48  32.062   9.459 -17.966
  369   1HZ   LYS  48          HZ1       LYS  48  31.987  11.504 -19.224
  370   2HZ   LYS  48          HZ2       LYS  48  32.199  12.419 -17.888
  371   3HZ   LYS  48          HZ3       LYS  48  33.396  11.453 -18.413
  372    H    TRP  49           H        TRP  49  27.956   8.331 -12.663
  373    HA   TRP  49           HA       TRP  49  30.010   6.329 -12.737
  374   1HB   TRP  49          HB2       TRP  49  29.581   6.152 -10.268
  375   2HB   TRP  49          HB3       TRP  49  30.116   7.688 -10.899
  376    HD1  TRP  49           HD1      TRP  49  28.877   9.745 -10.145
  377    HE1  TRP  49           HE1      TRP  49  26.794  10.259  -8.772
  378    HE3  TRP  49           HE3      TRP  49  26.899   5.020  -9.869
  379    HZ2  TRP  49           HZ2      TRP  49  24.537   8.800  -7.664
  380    HZ3  TRP  49           HZ3      TRP  49  24.737   4.643  -8.768
  381    HH2  TRP  49           HH2      TRP  49  23.523   6.523  -7.665
  382    H    ALA  50           H        ALA  50  26.452   6.024 -12.755
  383    HA   ALA  50           HA       ALA  50  26.652   3.153 -12.149
  384   1HB   ALA  50          HB1       ALA  50  24.270   4.894 -12.851
  385   2HB   ALA  50          HB2       ALA  50  24.239   3.140 -12.525
  386   3HB   ALA  50          HB3       ALA  50  24.741   4.253 -11.249
  387    H    GLU  51           H        GLU  51  28.147   2.698 -13.882
  388    HA   GLU  51           HA       GLU  51  27.438   3.019 -16.644
  389   1HB   GLU  51          HB2       GLU  51  29.325   1.025 -15.313
  390   2HB   GLU  51          HB3       GLU  51  29.212   1.336 -17.052
  391   1HG   GLU  51          HG2       GLU  51  29.730   3.773 -16.557
  392   2HG   GLU  51          HG3       GLU  51  30.095   3.283 -14.898
  393    H    TYR  52           H        TYR  52  25.847   1.161 -14.347
  394    HA   TYR  52           HA       TYR  52  24.466  -0.357 -16.401
  395   1HB   TYR  52          HB2       TYR  52  24.534  -2.376 -14.707
  396   2HB   TYR  52          HB3       TYR  52  25.715  -2.178 -15.983
  397    HD1  TYR  52           HD1      TYR  52  27.969  -1.185 -15.484
  398    HD2  TYR  52           HD2      TYR  52  25.260  -2.463 -12.396
  399    HE1  TYR  52           HE1      TYR  52  29.873  -1.319 -13.884
  400    HE2  TYR  52           HE2      TYR  52  27.135  -2.607 -10.786
  401    HH   TYR  52           HH       TYR  52  29.429  -2.327 -10.458
  402    H    HIS  53           H        HIS  53  22.316  -0.628 -15.824
  403    HA   HIS  53           HA       HIS  53  21.168   1.238 -14.102
  404   1HB   HIS  53          HB2       HIS  53  19.752  -1.311 -14.930
  405   2HB   HIS  53          HB3       HIS  53  19.071   0.299 -14.715
  406    HD1  HIS  53           HD1      HIS  53  19.426   2.012 -16.855
  407    HD2  HIS  53           HD2      HIS  53  20.988  -1.890 -17.224
  408    HE1  HIS  53           HE1      HIS  53  20.216   1.747 -19.279
  409    H    ALA  54           H        ALA  54  22.073  -2.134 -13.441
  410    HA   ALA  54           HA       ALA  54  20.627  -2.473 -11.028
  411   1HB   ALA  54          HB1       ALA  54  22.237  -4.274 -10.565
  412   2HB   ALA  54          HB2       ALA  54  21.694  -4.334 -12.251
  413   3HB   ALA  54          HB3       ALA  54  23.304  -3.684 -11.853
  414    H    ASP  55           H        ASP  55  23.609  -0.633 -11.686
  415    HA   ASP  55           HA       ASP  55  24.576  -0.663  -8.984
  416   1HB   ASP  55          HB2       ASP  55  25.889   0.028 -11.092
  417   2HB   ASP  55          HB3       ASP  55  25.027   1.542 -11.026
  418    H    ILE  56           H        ILE  56  22.589   1.687 -10.846
  419    HA   ILE  56           HA       ILE  56  22.173   3.407  -8.575
  420    HB   ILE  56           HB       ILE  56  20.039   4.016 -10.141
  421   1HG1  ILE  56          HG12      ILE  56  22.027   2.821 -12.090
  422   2HG1  ILE  56          HG13      ILE  56  20.277   2.586 -11.953
  423   1HG2  ILE  56          HG21      ILE  56  21.664   5.498  -9.159
  424   2HG2  ILE  56          HG22      ILE  56  22.827   5.111 -10.449
  425   3HG2  ILE  56          HG23      ILE  56  21.294   5.941 -10.817
  426   1HD1  ILE  56          HD11      ILE  56  21.785   5.018 -12.978
  427   2HD1  ILE  56          HD12      ILE  56  20.785   3.886 -13.898
  428   3HD1  ILE  56          HD13      ILE  56  20.020   4.978 -12.717
  429    H    TYR  57           H        TYR  57  20.250   0.655  -9.975
  430    HA   TYR  57           HA       TYR  57  18.042   1.088  -8.256
  431   1HB   TYR  57          HB2       TYR  57  17.861  -0.500 -10.075
  432   2HB   TYR  57          HB3       TYR  57  19.145  -1.500  -9.398
  433    HD1  TYR  57           HD1      TYR  57  15.938   0.059  -8.095
  434    HD2  TYR  57           HD2      TYR  57  18.408  -3.471  -8.366
  435    HE1  TYR  57           HE1      TYR  57  14.388  -1.128  -6.606
  436    HE2  TYR  57           HE2      TYR  57  16.821  -4.694  -6.916
  437    HH   TYR  57           HH       TYR  57  13.948  -3.134  -5.427
  438    H    ASP  58           H        ASP  58  21.032  -0.883  -7.672
  439    HA   ASP  58           HA       ASP  58  20.271  -1.727  -5.074
  440   1HB   ASP  58          HB2       ASP  58  22.044  -2.830  -6.319
  441   2HB   ASP  58          HB3       ASP  58  23.017  -1.355  -6.322
  442    H    LYS  59           H        LYS  59  22.361   1.033  -6.110
  443    HA   LYS  59           HA       LYS  59  22.995   1.992  -3.525
  444   1HB   LYS  59          HB2       LYS  59  24.210   2.656  -5.457
  445   2HB   LYS  59          HB3       LYS  59  22.788   3.346  -6.240
  446   1HG   LYS  59          HG2       LYS  59  22.852   5.297  -5.065
  447   2HG   LYS  59          HG3       LYS  59  23.495   4.542  -3.587
  448   1HD   LYS  59          HD2       LYS  59  25.704   4.365  -4.496
  449   2HD   LYS  59          HD3       LYS  59  25.164   4.881  -6.102
  450   1HE   LYS  59          HE2       LYS  59  24.538   7.104  -5.188
  451   2HE   LYS  59          HE3       LYS  59  25.062   6.596  -3.577
  452   1HZ   LYS  59          HZ1       LYS  59  27.313   6.371  -4.454
  453   2HZ   LYS  59          HZ2       LYS  59  26.826   6.832  -5.949
  454   3HZ   LYS  59          HZ3       LYS  59  26.765   7.883  -4.702
  455    H    VAL  60           H        VAL  60  20.303   2.957  -5.717
  456    HA   VAL  60           HA       VAL  60  19.369   4.959  -3.888
  457    HB   VAL  60           HB       VAL  60  18.089   3.768  -6.350
  458   1HG1  VAL  60          HG11      VAL  60  16.670   5.802  -6.295
  459   2HG1  VAL  60          HG12      VAL  60  16.430   4.857  -4.820
  460   3HG1  VAL  60          HG13      VAL  60  17.431   6.303  -4.760
  461   1HG2  VAL  60          HG21      VAL  60  20.416   5.040  -6.486
  462   2HG2  VAL  60          HG22      VAL  60  19.134   5.473  -7.561
  463   3HG2  VAL  60          HG23      VAL  60  19.466   6.471  -6.106
  464    H    SER  61           H        SER  61  18.289   1.547  -4.590
  465    HA   SER  61           HA       SER  61  16.133   1.668  -2.720
  466   1HB   SER  61          HB2       SER  61  17.812  -0.748  -3.499
  467   2HB   SER  61          HB3       SER  61  16.204  -0.759  -2.737
  468    HG   SER  61           HG       SER  61  16.991  -0.018  -5.317
  469    H    GLY  62           H        GLY  62  19.660   1.213  -2.262
  470   1HA   GLY  62          HA2       GLY  62  19.612   0.447   0.476
  471   2HA   GLY  62          HA3       GLY  62  20.902   1.337  -0.361
  472    H    ASP  63           H        ASP  63  19.782   3.745  -1.060
  473    HA   ASP  63           HA       ASP  63  19.694   5.155   1.401
  474   1HB   ASP  63          HB2       ASP  63  20.364   6.185  -0.760
  475   2HB   ASP  63          HB3       ASP  63  18.679   6.146  -1.289
  476    H    MET  64           H        MET  64  17.010   4.332  -0.894
  477    HA   MET  64           HA       MET  64  14.935   5.445   0.659
  478   1HB   MET  64          HB2       MET  64  14.877   2.951  -1.093
  479   2HB   MET  64          HB3       MET  64  13.473   3.861  -0.552
  480   1HG   MET  64          HG2       MET  64  15.559   4.991  -2.421
  481   2HG   MET  64          HG3       MET  64  13.991   4.349  -2.865
  482   1HE   MET  64          HE1       MET  64  15.769   7.068  -0.626
  483   2HE   MET  64          HE2       MET  64  15.942   7.404  -2.371
  484   3HE   MET  64          HE3       MET  64  14.997   8.496  -1.336
  485    H    GLN  65           H        GLN  65  16.325   2.083   0.914
  486    HA   GLN  65           HA       GLN  65  14.503   1.324   2.976
  487   1HB   GLN  65          HB2       GLN  65  17.165   0.304   1.953
  488   2HB   GLN  65          HB3       GLN  65  16.430  -0.428   3.379
  489   1HG   GLN  65          HG2       GLN  65  14.466  -1.099   2.168
  490   2HG   GLN  65          HG3       GLN  65  14.960  -0.202   0.725
  491   1HE2  GLN  65          HE22      GLN  65  17.174  -0.863  -0.160
  492   2HE2  GLN  65          HE21      GLN  65  17.532  -2.589  -0.215
  493    H    LYS  66           H        LYS  66  17.700   2.990   3.092
  494    HA   LYS  66           HA       LYS  66  17.993   2.884   5.939
  495   1HB   LYS  66          HB2       LYS  66  19.835   3.516   4.550
  496   2HB   LYS  66          HB3       LYS  66  18.909   4.773   3.768
  497   1HG   LYS  66          HG2       LYS  66  18.847   6.009   6.024
  498   2HG   LYS  66          HG3       LYS  66  19.995   4.788   6.598
  499   1HD   LYS  66          HD2       LYS  66  21.264   6.699   5.864
  500   2HD   LYS  66          HD3       LYS  66  21.489   5.419   4.650
  501   1HE   LYS  66          HE2       LYS  66  19.721   6.488   3.235
  502   2HE   LYS  66          HE3       LYS  66  19.528   7.765   4.434
  503   1HZ   LYS  66          HZ1       LYS  66  21.661   8.591   3.900
  504   2HZ   LYS  66          HZ2       LYS  66  22.103   7.244   3.075
  505   3HZ   LYS  66          HZ3       LYS  66  20.956   8.221   2.452
  506    H    GLN  67           H        GLN  67  16.208   5.218   3.769
  507    HA   GLN  67           HA       GLN  67  15.170   6.774   5.966
  508   1HB   GLN  67          HB2       GLN  67  13.883   6.294   3.244
  509   2HB   GLN  67          HB3       GLN  67  13.469   7.542   4.422
  510   1HG   GLN  67          HG2       GLN  67  15.875   8.392   4.227
  511   2HG   GLN  67          HG3       GLN  67  16.092   7.250   2.905
  512   1HE2  GLN  67          HE22      GLN  67  16.387   8.650   1.140
  513   2HE2  GLN  67          HE21      GLN  67  15.195   9.857   0.704
  514    H    GLY  68           H        GLY  68  13.996   3.850   4.363
  515   1HA   GLY  68          HA2       GLY  68  13.377   2.214   6.280
  516   2HA   GLY  68          HA3       GLY  68  12.025   3.316   6.535
  517    H    CYS  69           H        CYS  69  12.552   3.428   3.274
  518    HA   CYS  69           HA       CYS  69   9.984   2.354   2.712
  519   1HB   CYS  69          HB2       CYS  69  12.270   3.175   0.917
  520   2HB   CYS  69          HB3       CYS  69  10.588   3.026   0.415
  521    HG   CYS  69           HG       CYS  69  11.188   5.555   0.588
  522    H    ASP  70           H        ASP  70   9.757   1.017   0.605
  523    HA   ASP  70           HA       ASP  70  11.719  -1.171   0.282
  524   1HB   ASP  70          HB2       ASP  70   9.816  -2.107   1.592
  525   2HB   ASP  70          HB3       ASP  70   8.687  -1.517   0.368
  526    H    CYS  71           H        CYS  71  11.977  -1.595  -2.023
  527    HA   CYS  71           HA       CYS  71  10.439   0.160  -3.837
  528   1HB   CYS  71          HB2       CYS  71  13.488   0.257  -3.585
  529   2HB   CYS  71          HB3       CYS  71  12.467   1.209  -4.668
  530    HG   CYS  71           HG       CYS  71  11.030   1.789  -2.196
  531    H    GLU  72           H        GLU  72  11.029  -0.132  -6.155
  532    HA   GLU  72           HA       GLU  72  12.361  -2.657  -6.893
  533   1HB   GLU  72          HB2       GLU  72  10.146  -3.424  -6.299
  534   2HB   GLU  72          HB3       GLU  72   9.377  -2.094  -7.180
  535   1HG   GLU  72          HG2       GLU  72  10.075  -2.978  -9.300
  536   2HG   GLU  72          HG3       GLU  72  11.145  -4.156  -8.528
  537    H    CYS  73           H        CYS  73  13.426  -2.265  -8.836
  538    HA   CYS  73           HA       CYS  73  12.998   0.167 -10.356
  539   1HB   CYS  73          HB2       CYS  73  14.498  -1.073 -12.023
  540   2HB   CYS  73          HB3       CYS  73  15.207  -0.661 -10.467
  541    HG   CYS  73           HG       CYS  73  16.000  -3.049 -11.362
  542    H    LEU  74           H        LEU  74  11.248   0.469 -11.642
  543    HA   LEU  74           HA       LEU  74   9.523  -1.752 -12.462
  544   1HB   LEU  74          HB2       LEU  74   9.612   1.171 -13.343
  545   2HB   LEU  74          HB3       LEU  74   8.386  -0.007 -13.795
  546    HG   LEU  74           HG       LEU  74   8.886   1.154 -11.031
  547   1HD1  LEU  74          HD11      LEU  74   6.498   1.205 -12.935
  548   2HD1  LEU  74          HD12      LEU  74   6.566   1.945 -11.328
  549   3HD1  LEU  74          HD13      LEU  74   7.620   2.548 -12.614
  550   1HD2  LEU  74          HD21      LEU  74   6.900  -0.201 -10.291
  551   2HD2  LEU  74          HD22      LEU  74   7.001  -1.119 -11.808
  552   3HD2  LEU  74          HD23      LEU  74   8.329  -1.177 -10.622
  553    H    GLY  75           H        GLY  75  12.244   0.069 -13.760
  554   1HA   GLY  75          HA2       GLY  75  13.107  -1.793 -15.618
  555   2HA   GLY  75          HA3       GLY  75  12.055  -0.669 -16.499
  556    H    GLY  76           H        GLY  76  14.275  -0.187 -17.520
  557   1HA   GLY  76          HA2       GLY  76  15.056   2.386 -16.469
  558   2HA   GLY  76          HA3       GLY  76  16.385   1.214 -16.397
  559    H    GLY  77           H        GLY  77  17.290   2.866 -17.941
  560   1HA   GLY  77          HA2       GLY  77  17.257   2.020 -20.653
  561   2HA   GLY  77          HA3       GLY  77  16.215   3.443 -20.460
  562    H    ARG  78           H        ARG  78  17.804   4.572 -21.788
  563    HA   ARG  78           HA       ARG  78  20.234   5.422 -20.288
  564   1HB   ARG  78          HB2       ARG  78  20.783   3.867 -22.105
  565   2HB   ARG  78          HB3       ARG  78  19.934   4.888 -23.275
  566   1HG   ARG  78          HG2       ARG  78  21.597   6.632 -23.067
  567   2HG   ARG  78          HG3       ARG  78  22.275   5.886 -21.618
  568   1HD   ARG  78          HD2       ARG  78  23.728   5.547 -23.518
  569   2HD   ARG  78          HD3       ARG  78  23.152   4.015 -22.855
  570    HE   ARG  78           HE       ARG  78  21.386   4.244 -24.827
  571   1HH1  ARG  78          HH21      ARG  78  24.911   4.805 -24.942
  572   2HH1  ARG  78          HH22      ARG  78  25.044   4.341 -26.596
  573   1HH2  ARG  78          HH11      ARG  78  21.555   3.669 -26.892
  574   2HH2  ARG  78          HH12      ARG  78  23.065   3.696 -27.791
  575    H    ILE  79           H        ILE  79  20.857   7.630 -20.666
  576    HA   ILE  79           HA       ILE  79  18.693   9.382 -21.682
  577    HB   ILE  79           HB       ILE  79  20.277   9.576 -19.084
  578   1HG1  ILE  79          HG12      ILE  79  17.303   9.568 -19.759
  579   2HG1  ILE  79          HG13      ILE  79  18.185   8.253 -19.006
  580   1HG2  ILE  79          HG21      ILE  79  19.292  11.835 -18.778
  581   2HG2  ILE  79          HG22      ILE  79  20.301  11.807 -20.204
  582   3HG2  ILE  79          HG23      ILE  79  18.527  11.726 -20.376
  583   1HD1  ILE  79          HD11      ILE  79  18.622   9.767 -17.020
  584   2HD1  ILE  79          HD12      ILE  79  17.516  10.952 -17.760
  585   3HD1  ILE  79          HD13      ILE  79  16.914   9.363 -17.301
  586    H    SER  80           H        SER  80  19.433  10.918 -23.036
  587    HA   SER  80           HA       SER  80  22.366  11.265 -23.408
  588   1HB   SER  80          HB2       SER  80  20.347  10.498 -25.566
  589   2HB   SER  80          HB3       SER  80  22.056  10.883 -25.828
  590    HG   SER  80           HG       SER  80  21.685   8.640 -25.726
  591    H    HIS  81           H        HIS  81  22.699  13.395 -23.266
  592    HA   HIS  81           HA       HIS  81  20.715  15.361 -24.279
  593   1HB   HIS  81          HB2       HIS  81  21.678  16.362 -22.457
  594   2HB   HIS  81          HB3       HIS  81  23.141  15.402 -22.544
  595    HD1  HIS  81           HD1      HIS  81  21.749  18.269 -24.856
  596    HD2  HIS  81           HD2      HIS  81  25.188  16.852 -22.871
  597    HE1  HIS  81           HE1      HIS  81  23.633  19.863 -25.455
  598    H    GLN  82           H        GLN  82  20.942  16.237 -26.341
  599    HA   GLN  82           HA       GLN  82  23.068  15.018 -28.059
  600   1HB   GLN  82          HB2       GLN  82  20.101  15.518 -28.534
  601   2HB   GLN  82          HB3       GLN  82  21.249  15.148 -29.825
  602   1HG   GLN  82          HG2       GLN  82  21.825  13.001 -28.771
  603   2HG   GLN  82          HG3       GLN  82  20.774  13.355 -27.402
  604   1HE2  GLN  82          HE22      GLN  82  18.694  12.599 -27.511
  605   2HE2  GLN  82          HE21      GLN  82  17.878  12.110 -28.978
  606    H    SER  83           H        SER  83  24.267  16.437 -29.275
  607    HA   SER  83           HA       SER  83  24.452  19.013 -28.378
  608   1HB   SER  83          HB2       SER  83  25.451  18.055 -31.076
  609   2HB   SER  83          HB3       SER  83  26.178  19.277 -30.018
  610    HG   SER  83           HG       SER  83  26.669  17.656 -28.534
  611    H    GLN  84           H        GLN  84  22.395  18.026 -31.093
  612    HA   GLN  84           HA       GLN  84  22.406  20.605 -32.339
  613   1HB   GLN  84          HB2       GLN  84  20.144  19.600 -33.367
  614   2HB   GLN  84          HB3       GLN  84  21.739  19.262 -33.967
  615   1HG   GLN  84          HG2       GLN  84  20.326  17.447 -31.974
  616   2HG   GLN  84          HG3       GLN  84  20.113  17.303 -33.711
  617   1HE2  GLN  84          HE22      GLN  84  21.363  15.375 -31.732
  618   2HE2  GLN  84          HE21      GLN  84  22.949  15.049 -32.379
  619    H    ASP  85           H        ASP  85  20.589  19.530 -29.521
  620    HA   ASP  85           HA       ASP  85  19.432  22.201 -29.348
  621   1HB   ASP  85          HB2       ASP  85  17.717  20.928 -30.688
  622   2HB   ASP  85          HB3       ASP  85  17.571  19.780 -29.360
  623    H    LYS  86           H        LYS  86  19.136  22.734 -27.188
  624    HA   LYS  86           HA       LYS  86  20.681  21.615 -25.223
  625   1HB   LYS  86          HB2       LYS  86  18.038  22.917 -24.530
  626   2HB   LYS  86          HB3       LYS  86  19.563  23.055 -23.682
  627   1HG   LYS  86          HG2       LYS  86  18.850  24.306 -26.375
  628   2HG   LYS  86          HG3       LYS  86  18.827  25.133 -24.847
  629   1HD   LYS  86          HD2       LYS  86  21.436  23.930 -25.878
  630   2HD   LYS  86          HD3       LYS  86  20.806  25.451 -26.489
  631   1HE   LYS  86          HE2       LYS  86  22.069  26.326 -24.843
  632   2HE   LYS  86          HE3       LYS  86  20.565  26.125 -23.957
  633   1HZ   LYS  86          HZ1       LYS  86  22.914  24.316 -23.863
  634   2HZ   LYS  86          HZ2       LYS  86  22.429  25.323 -22.687
  635   3HZ   LYS  86          HZ3       LYS  86  21.515  24.030 -23.059
  636    H    LYS  87           H        LYS  87  17.406  20.671 -26.070
  637    HA   LYS  87           HA       LYS  87  16.377  19.438 -23.860
  638   1HB   LYS  87          HB2       LYS  87  15.578  19.880 -26.297
  639   2HB   LYS  87          HB3       LYS  87  16.134  18.245 -26.652
  640   1HG   LYS  87          HG2       LYS  87  14.535  17.396 -24.935
  641   2HG   LYS  87          HG3       LYS  87  14.068  19.068 -24.573
  642   1HD   LYS  87          HD2       LYS  87  13.504  17.505 -27.105
  643   2HD   LYS  87          HD3       LYS  87  12.372  18.200 -25.932
  644   1HE   LYS  87          HE2       LYS  87  13.485  20.490 -26.638
  645   2HE   LYS  87          HE3       LYS  87  13.993  19.592 -28.075
  646   1HZ   LYS  87          HZ1       LYS  87  11.563  19.064 -28.370
  647   2HZ   LYS  87          HZ2       LYS  87  11.256  20.086 -27.102
  648   3HZ   LYS  87          HZ3       LYS  87  11.907  20.663 -28.480
  649    H    ILE  88           H        ILE  88  16.476  17.427 -22.851
  650    HA   ILE  88           HA       ILE  88  18.668  15.588 -23.698
  651    HB   ILE  88           HB       ILE  88  17.225  15.236 -21.085
  652   1HG1  ILE  88          HG12      ILE  88  19.485  17.241 -21.505
  653   2HG1  ILE  88          HG13      ILE  88  17.845  17.603 -20.958
  654   1HG2  ILE  88          HG21      ILE  88  19.251  14.176 -20.383
  655   2HG2  ILE  88          HG22      ILE  88  18.845  13.525 -21.957
  656   3HG2  ILE  88          HG23      ILE  88  20.125  14.743 -21.811
  657   1HD1  ILE  88          HD11      ILE  88  19.956  16.082 -19.388
  658   2HD1  ILE  88          HD12      ILE  88  19.297  17.682 -19.061
  659   3HD1  ILE  88          HD13      ILE  88  18.252  16.257 -18.890
  660    H    HIS  89           H        HIS  89  18.071  13.240 -23.771
  661    HA   HIS  89           HA       HIS  89  15.172  12.799 -24.307
  662   1HB   HIS  89          HB2       HIS  89  16.664  13.161 -26.348
  663   2HB   HIS  89          HB3       HIS  89  17.491  11.664 -25.901
  664    HD1  HIS  89           HD1      HIS  89  13.982  12.912 -26.990
  665    HD2  HIS  89           HD2      HIS  89  16.348   9.429 -26.737
  666    HE1  HIS  89           HE1      HIS  89  12.720  11.081 -28.245
  667    H    VAL  90           H        VAL  90  14.438  10.691 -23.818
  668    HA   VAL  90           HA       VAL  90  16.250   8.984 -22.169
  669    HB   VAL  90           HB       VAL  90  13.280   9.475 -21.692
  670   1HG1  VAL  90          HG11      VAL  90  13.706   8.442 -19.523
  671   2HG1  VAL  90          HG12      VAL  90  14.273   7.370 -20.812
  672   3HG1  VAL  90          HG13      VAL  90  15.439   8.310 -19.878
  673   1HG2  VAL  90          HG21      VAL  90  15.605  10.917 -20.354
  674   2HG2  VAL  90          HG22      VAL  90  14.265  11.635 -21.269
  675   3HG2  VAL  90          HG23      VAL  90  13.947  10.866 -19.716
  676    H    TYR  91           H        TYR  91  16.341   6.877 -22.979
  677    HA   TYR  91           HA       TYR  91  14.162   5.766 -24.562
  678   1HB   TYR  91          HB2       TYR  91  15.178   5.761 -26.671
  679   2HB   TYR  91          HB3       TYR  91  15.211   7.403 -26.129
  680    HD1  TYR  91           HD1      TYR  91  17.911   6.659 -24.291
  681    HD2  TYR  91           HD2      TYR  91  16.731   6.366 -28.426
  682    HE1  TYR  91           HE1      TYR  91  20.251   6.895 -24.959
  683    HE2  TYR  91           HE2      TYR  91  19.098   6.609 -29.113
  684    HH   TYR  91           HH       TYR  91  21.302   6.943 -28.389
  685    H    GLY  92           H        GLY  92  15.375   3.775 -25.922
  686   1HA   GLY  92          HA2       GLY  92  16.489   1.771 -25.735
  687   2HA   GLY  92          HA3       GLY  92  17.483   2.479 -24.451
  688    H    TYR  93           H        TYR  93  17.323   0.377 -23.407
  689    HA   TYR  93           HA       TYR  93  15.099   0.259 -21.544
  690   1HB   TYR  93          HB2       TYR  93  14.646  -2.117 -21.960
  691   2HB   TYR  93          HB3       TYR  93  14.189  -1.122 -23.327
  692    HD1  TYR  93           HD1      TYR  93  15.492  -1.226 -25.464
  693    HD2  TYR  93           HD2      TYR  93  16.277  -3.875 -22.150
  694    HE1  TYR  93           HE1      TYR  93  16.674  -2.777 -26.983
  695    HE2  TYR  93           HE2      TYR  93  17.485  -5.416 -23.649
  696    HH   TYR  93           HH       TYR  93  18.155  -5.852 -25.840
  697    H    SER  94           H        SER  94  15.684  -1.032 -19.649
  698    HA   SER  94           HA       SER  94  18.533  -1.193 -19.169
  699   1HB   SER  94          HB2       SER  94  17.170  -0.729 -17.279
  700   2HB   SER  94          HB3       SER  94  16.112  -2.121 -17.594
  701    HG   SER  94           HG       SER  94  17.894  -2.291 -15.928
  702    H    MET  95           H        MET  95  19.858  -2.863 -19.680
  703    HA   MET  95           HA       MET  95  18.882  -5.194 -21.025
  704   1HB   MET  95          HB2       MET  95  21.148  -4.146 -21.288
  705   2HB   MET  95          HB3       MET  95  21.603  -4.798 -19.706
  706   1HG   MET  95          HG2       MET  95  21.403  -7.066 -20.516
  707   2HG   MET  95          HG3       MET  95  20.544  -6.535 -21.961
  708   1HE   MET  95          HE1       MET  95  25.125  -6.129 -21.322
  709   2HE   MET  95          HE2       MET  95  23.972  -5.241 -20.304
  710   3HE   MET  95          HE3       MET  95  24.039  -7.019 -20.236
  711    H    ALA  96           H        ALA  96  18.977  -4.392 -17.642
  712    HA   ALA  96           HA       ALA  96  18.906  -7.258 -16.831
  713   1HB   ALA  96          HB1       ALA  96  20.546  -5.805 -15.694
  714   2HB   ALA  96          HB2       ALA  96  19.229  -4.721 -15.175
  715   3HB   ALA  96          HB3       ALA  96  19.299  -6.390 -14.576
  716    H    TYR  97           H        TYR  97  16.928  -4.290 -16.910
  717    HA   TYR  97           HA       TYR  97  14.727  -5.755 -15.514
  718   1HB   TYR  97          HB2       TYR  97  15.313  -2.789 -15.387
  719   2HB   TYR  97          HB3       TYR  97  14.160  -3.693 -14.417
  720    HD1  TYR  97           HD1      TYR  97  16.846  -1.867 -13.848
  721    HD2  TYR  97           HD2      TYR  97  15.709  -6.015 -13.444
  722    HE1  TYR  97           HE1      TYR  97  18.541  -2.163 -12.070
  723    HE2  TYR  97           HE2      TYR  97  17.409  -6.320 -11.689
  724    HH   TYR  97           HH       TYR  97  19.083  -5.329 -10.437
  725    H    GLY  98           H        GLY  98  15.448  -4.554 -18.570
  726   1HA   GLY  98          HA2       GLY  98  14.049  -4.380 -20.381
  727   2HA   GLY  98          HA3       GLY  98  12.642  -4.608 -19.337
  728    HA   PRO  99           HA       PRO  99  13.096  -0.143 -20.723
  729   1HB   PRO  99          HB2       PRO  99  10.658   0.163 -21.977
  730   2HB   PRO  99          HB3       PRO  99  12.123  -0.431 -22.798
  731   1HG   PRO  99          HG2       PRO  99   9.835  -2.042 -21.651
  732   2HG   PRO  99          HG3       PRO  99  10.678  -2.265 -23.215
  733   1HD   PRO  99          HD2       PRO  99  11.247  -3.767 -20.999
  734   2HD   PRO  99          HD3       PRO  99  12.509  -3.316 -22.182
  735    H    ALA 100           H        ALA 100  12.587   1.390 -19.286
  736    HA   ALA 100           HA       ALA 100  10.533   1.031 -17.227
  737   1HB   ALA 100          HB1       ALA 100  12.576   2.332 -16.744
  738   2HB   ALA 100          HB2       ALA 100  12.262   3.354 -18.155
  739   3HB   ALA 100          HB3       ALA 100  11.192   3.429 -16.742
  740    H    GLN 101           H        GLN 101   8.852   2.788 -16.984
  741    HA   GLN 101           HA       GLN 101   7.481   3.435 -19.519
  742   1HB   GLN 101          HB2       GLN 101   6.808   3.934 -16.580
  743   2HB   GLN 101          HB3       GLN 101   5.873   4.596 -17.930
  744   1HG   GLN 101          HG2       GLN 101   5.454   2.323 -18.791
  745   2HG   GLN 101          HG3       GLN 101   6.361   1.633 -17.436
  746   1HE2  GLN 101          HE22      GLN 101   3.451   3.616 -18.251
  747   2HE2  GLN 101          HE21      GLN 101   2.556   3.190 -16.816
  748    H    HIS 102           H        HIS 102   9.446   4.604 -20.286
  749    HA   HIS 102           HA       HIS 102  10.622   6.757 -18.988
  750   1HB   HIS 102          HB2       HIS 102  10.212   6.449 -21.973
  751   2HB   HIS 102          HB3       HIS 102  11.440   7.444 -21.197
  752    HD1  HIS 102           HD1      HIS 102  11.034   3.989 -22.543
  753    HD2  HIS 102           HD2      HIS 102  13.080   5.876 -19.397
  754    HE1  HIS 102           HE1      HIS 102  12.818   2.355 -21.736
  755    H    ALA 103           H        ALA 103   7.450   6.746 -20.443
  756    HA   ALA 103           HA       ALA 103   6.969   9.493 -20.833
  757   1HB   ALA 103          HB1       ALA 103   5.360   7.708 -21.407
  758   2HB   ALA 103          HB2       ALA 103   5.143   7.326 -19.684
  759   3HB   ALA 103          HB3       ALA 103   4.615   8.897 -20.322
  760    H    ILE 104           H        ILE 104   7.159   7.556 -17.821
  761    HA   ILE 104           HA       ILE 104   6.202   9.592 -16.026
  762    HB   ILE 104           HB       ILE 104   8.074   7.224 -15.553
  763   1HG1  ILE 104          HG12      ILE 104   5.798   6.564 -16.390
  764   2HG1  ILE 104          HG13      ILE 104   6.199   5.955 -14.793
  765   1HG2  ILE 104          HG21      ILE 104   8.406   8.706 -13.729
  766   2HG2  ILE 104          HG22      ILE 104   6.674   9.054 -13.574
  767   3HG2  ILE 104          HG23      ILE 104   7.308   7.449 -13.145
  768   1HD1  ILE 104          HD11      ILE 104   4.538   8.480 -15.217
  769   2HD1  ILE 104          HD12      ILE 104   3.859   6.835 -15.030
  770   3HD1  ILE 104          HD13      ILE 104   4.797   7.555 -13.709
  771    H    SER 105           H        SER 105   9.512   8.546 -17.093
  772    HA   SER 105           HA       SER 105  10.966  10.365 -15.605
  773   1HB   SER 105          HB2       SER 105  11.569   9.441 -18.440
  774   2HB   SER 105          HB3       SER 105  12.713   9.990 -17.222
  775    HG   SER 105           HG       SER 105  12.546   7.693 -17.303
  776    H    THR 106           H        THR 106   9.639  10.839 -18.952
  777    HA   THR 106           HA       THR 106  10.574  13.503 -19.138
  778    HB   THR 106           HB       THR 106   8.707  13.705 -20.910
  779    HG1  THR 106           HG1      THR 106   7.438  11.903 -20.089
  780   1HG2  THR 106          HG21      THR 106  10.772  11.462 -21.095
  781   2HG2  THR 106          HG22      THR 106   9.954  12.252 -22.460
  782   3HG2  THR 106          HG23      THR 106  11.065  13.176 -21.444
  783    H    GLU 107           H        GLU 107   7.391  12.315 -17.855
  784    HA   GLU 107           HA       GLU 107   6.333  14.923 -17.454
  785   1HB   GLU 107          HB2       GLU 107   5.723  12.179 -16.229
  786   2HB   GLU 107          HB3       GLU 107   4.928  13.654 -15.668
  787   1HG   GLU 107          HG2       GLU 107   4.252  14.164 -18.036
  788   2HG   GLU 107          HG3       GLU 107   4.894  12.604 -18.528
  789    H    LYS 108           H        LYS 108   8.203  12.782 -15.322
  790    HA   LYS 108           HA       LYS 108   8.193  14.393 -12.981
  791   1HB   LYS 108          HB2       LYS 108  10.056  12.256 -14.113
  792   2HB   LYS 108          HB3       LYS 108  10.320  12.965 -12.536
  793   1HG   LYS 108          HG2       LYS 108   7.622  11.733 -13.161
  794   2HG   LYS 108          HG3       LYS 108   9.011  10.713 -12.742
  795   1HD   LYS 108          HD2       LYS 108   9.335  11.841 -10.646
  796   2HD   LYS 108          HD3       LYS 108   8.092  13.049 -11.041
  797   1HE   LYS 108          HE2       LYS 108   6.329  11.469 -10.885
  798   2HE   LYS 108          HE3       LYS 108   7.440  10.085 -10.860
  799   1HZ   LYS 108          HZ1       LYS 108   8.064  10.539  -8.705
  800   2HZ   LYS 108          HZ2       LYS 108   7.650  12.115  -8.747
  801   3HZ   LYS 108          HZ3       LYS 108   6.475  10.952  -8.645
  802    H    ILE 109           H        ILE 109  10.724  14.050 -15.527
  803    HA   ILE 109           HA       ILE 109  12.489  15.948 -14.362
  804    HB   ILE 109           HB       ILE 109  12.203  14.778 -17.149
  805   1HG1  ILE 109          HG12      ILE 109  14.413  14.306 -15.090
  806   2HG1  ILE 109          HG13      ILE 109  12.941  13.340 -15.108
  807   1HG2  ILE 109          HG21      ILE 109  14.504  15.647 -17.620
  808   2HG2  ILE 109          HG22      ILE 109  13.318  16.939 -17.457
  809   3HG2  ILE 109          HG23      ILE 109  14.426  16.574 -16.129
  810   1HD1  ILE 109          HD11      ILE 109  14.659  12.139 -16.295
  811   2HD1  ILE 109          HD12      ILE 109  13.437  12.657 -17.470
  812   3HD1  ILE 109          HD13      ILE 109  14.992  13.511 -17.353
  813    H    LYS 110           H        LYS 110   9.961  16.351 -16.969
  814    HA   LYS 110           HA       LYS 110  10.597  19.082 -17.465
  815   1HB   LYS 110          HB2       LYS 110   8.011  17.502 -17.767
  816   2HB   LYS 110          HB3       LYS 110   8.141  19.210 -18.203
  817   1HG   LYS 110          HG2       LYS 110   9.883  18.776 -19.819
  818   2HG   LYS 110          HG3       LYS 110   9.932  17.063 -19.401
  819   1HD   LYS 110          HD2       LYS 110   8.142  16.562 -20.692
  820   2HD   LYS 110          HD3       LYS 110   7.193  17.912 -20.060
  821   1HE   LYS 110          HE2       LYS 110   8.503  19.472 -21.559
  822   2HE   LYS 110          HE3       LYS 110   9.281  18.063 -22.280
  823   1HZ   LYS 110          HZ1       LYS 110   6.352  18.558 -22.295
  824   2HZ   LYS 110          HZ2       LYS 110   7.345  18.811 -23.557
  825   3HZ   LYS 110          HZ3       LYS 110   7.102  17.295 -23.012
  826    H    ALA 111           H        ALA 111   8.400  17.621 -15.001
  827    HA   ALA 111           HA       ALA 111   7.466  20.130 -14.000
  828   1HB   ALA 111          HB1       ALA 111   7.763  17.448 -12.570
  829   2HB   ALA 111          HB2       ALA 111   6.796  18.828 -12.019
  830   3HB   ALA 111          HB3       ALA 111   6.352  17.980 -13.514
  831    H    LYS 112           H        LYS 112  10.287  18.062 -13.064
  832    HA   LYS 112           HA       LYS 112  10.846  19.773 -10.839
  833   1HB   LYS 112          HB2       LYS 112  11.193  17.171 -11.205
  834   2HB   LYS 112          HB3       LYS 112  12.760  17.651 -11.835
  835   1HG   LYS 112          HG2       LYS 112  12.954  17.081  -9.497
  836   2HG   LYS 112          HG3       LYS 112  13.198  18.821  -9.632
  837   1HD   LYS 112          HD2       LYS 112  10.983  19.272  -8.764
  838   2HD   LYS 112          HD3       LYS 112  10.496  17.575  -8.948
  839   1HE   LYS 112          HE2       LYS 112  12.071  16.898  -7.200
  840   2HE   LYS 112          HE3       LYS 112  12.686  18.550  -7.065
  841   1HZ   LYS 112          HZ1       LYS 112  11.056  18.065  -5.339
  842   2HZ   LYS 112          HZ2       LYS 112  10.494  19.245  -6.304
  843   3HZ   LYS 112          HZ3       LYS 112   9.900  17.731  -6.441
  844    H    TYR 113           H        TYR 113  11.858  19.988 -14.124
  845    HA   TYR 113           HA       TYR 113  13.317  21.294 -15.205
  846   1HB   TYR 113          HB2       TYR 113  12.238  22.976 -13.015
  847   2HB   TYR 113          HB3       TYR 113  13.705  23.608 -13.678
  848    HD1  TYR 113           HD1      TYR 113  13.728  23.293 -16.496
  849    HD2  TYR 113           HD2      TYR 113  10.445  24.220 -13.847
  850    HE1  TYR 113           HE1      TYR 113  12.645  24.589 -18.296
  851    HE2  TYR 113           HE2      TYR 113   9.359  25.526 -15.646
  852    HH   TYR 113           HH       TYR 113  10.822  25.904 -18.912
  853    HA   PRO 114           HA       PRO 114  17.103  20.289 -12.629
  854   1HB   PRO 114          HB2       PRO 114  17.988  17.948 -13.668
  855   2HB   PRO 114          HB3       PRO 114  16.737  18.006 -12.384
  856   1HG   PRO 114          HG2       PRO 114  16.335  17.731 -15.372
  857   2HG   PRO 114          HG3       PRO 114  15.600  16.754 -14.059
  858   1HD   PRO 114          HD2       PRO 114  14.317  18.895 -15.245
  859   2HD   PRO 114          HD3       PRO 114  14.070  18.440 -13.534
  860    H    ASP 115           H        ASP 115  16.182  20.463 -16.014
  861    HA   ASP 115           HA       ASP 115  18.719  21.849 -16.581
  862   1HB   ASP 115          HB2       ASP 115  19.235  19.602 -17.325
  863   2HB   ASP 115          HB3       ASP 115  17.743  19.524 -18.268
  864    H    TYR 116           H        TYR 116  15.982  20.730 -18.738
  865    HA   TYR 116           HA       TYR 116  15.027  23.496 -18.950
  866   1HB   TYR 116          HB2       TYR 116  17.188  23.128 -20.375
  867   2HB   TYR 116          HB3       TYR 116  16.176  22.244 -21.478
  868    HD1  TYR 116           HD1      TYR 116  13.668  24.293 -21.019
  869    HD2  TYR 116           HD2      TYR 116  17.866  24.724 -21.961
  870    HE1  TYR 116           HE1      TYR 116  13.207  26.461 -22.080
  871    HE2  TYR 116           HE2      TYR 116  17.404  26.897 -23.035
  872    HH   TYR 116           HH       TYR 116  15.782  28.485 -23.567
  873    H    GLU 117           H        GLU 117  14.973  20.640 -21.198
  874    HA   GLU 117           HA       GLU 117  12.206  20.001 -20.589
  875   1HB   GLU 117          HB2       GLU 117  11.849  21.850 -22.137
  876   2HB   GLU 117          HB3       GLU 117  13.046  21.205 -23.278
  877   1HG   GLU 117          HG2       GLU 117  11.551  19.262 -23.693
  878   2HG   GLU 117          HG3       GLU 117  10.410  19.911 -22.512
  879    H    VAL 118           H        VAL 118  11.701  17.914 -21.714
  880    HA   VAL 118           HA       VAL 118  13.976  16.578 -22.939
  881    HB   VAL 118           HB       VAL 118  13.736  14.603 -21.461
  882   1HG1  VAL 118          HG11      VAL 118  14.460  17.032 -19.782
  883   2HG1  VAL 118          HG12      VAL 118  15.154  15.389 -19.743
  884   3HG1  VAL 118          HG13      VAL 118  15.450  16.463 -21.120
  885   1HG2  VAL 118          HG21      VAL 118  11.397  15.279 -20.574
  886   2HG2  VAL 118          HG22      VAL 118  12.561  14.617 -19.418
  887   3HG2  VAL 118          HG23      VAL 118  12.247  16.362 -19.479
  888    H    THR 119           H        THR 119  13.375  14.419 -23.787
  889    HA   THR 119           HA       THR 119  10.512  14.047 -24.435
  890    HB   THR 119           HB       THR 119  11.386  13.490 -26.827
  891    HG1  THR 119           HG1      THR 119  13.442  15.243 -25.948
  892   1HG2  THR 119          HG21      THR 119   9.873  15.314 -26.517
  893   2HG2  THR 119          HG22      THR 119  11.142  16.355 -25.863
  894   3HG2  THR 119          HG23      THR 119  11.186  15.862 -27.574
  895    H    TRP 120           H        TRP 120  10.361  11.783 -25.652
  896    HA   TRP 120           HA       TRP 120  12.504   9.981 -24.898
  897   1HB   TRP 120          HB2       TRP 120  11.140   8.386 -23.750
  898   2HB   TRP 120          HB3       TRP 120  10.932   9.913 -22.925
  899    HD1  TRP 120           HD1      TRP 120   8.514  11.234 -23.940
  900    HE1  TRP 120           HE1      TRP 120   6.193  10.201 -24.059
  901    HE3  TRP 120           HE3      TRP 120   9.864   6.306 -24.185
  902    HZ2  TRP 120           HZ2      TRP 120   5.040   7.532 -24.119
  903    HZ3  TRP 120           HZ3      TRP 120   8.134   4.536 -24.174
  904    HH2  TRP 120           HH2      TRP 120   5.721   5.134 -24.151
  905    H    ALA 121           H        ALA 121  12.056   7.768 -25.786
  906    HA   ALA 121           HA       ALA 121  10.040   7.598 -27.879
  907   1HB   ALA 121          HB1       ALA 121  13.018   7.128 -28.455
  908   2HB   ALA 121          HB2       ALA 121  11.681   6.732 -29.556
  909   3HB   ALA 121          HB3       ALA 121  12.019   8.426 -29.150
  910    H    ASN 122           H        ASN 122   9.406   5.439 -28.118
  911    HA   ASN 122           HA       ASN 122  10.201   3.646 -25.931
  912   1HB   ASN 122          HB2       ASN 122   7.801   4.142 -26.506
  913   2HB   ASN 122          HB3       ASN 122   8.045   3.337 -28.056
  914   1HD2  ASN 122          HD22      ASN 122   6.635   1.545 -27.695
  915   2HD2  ASN 122          HD21      ASN 122   6.911   0.364 -26.442
  916    H    ASP 123           H        ASP 123  12.336   3.963 -27.618
  917    HA   ASP 123           HA       ASP 123  12.745   1.427 -28.993
  918   1HB   ASP 123          HB2       ASP 123  11.461   3.047 -30.596
  919   2HB   ASP 123          HB3       ASP 123  12.958   3.987 -30.609
  920    H    GLY 124           H        GLY 124  15.046   1.955 -30.280
  921   1HA   GLY 124          HA2       GLY 124  17.240   2.804 -30.166
  922   2HA   GLY 124          HA3       GLY 124  16.816   3.747 -28.735
  923    H    TYR 125           H        TYR 125  18.843   2.946 -27.833
  924    HA   TYR 125           HA       TYR 125  18.577   0.415 -26.385
  925   1HB   TYR 125          HB2       TYR 125  21.012   1.174 -28.061
  926   2HB   TYR 125          HB3       TYR 125  20.993  -0.083 -26.839
  927    HD1  TYR 125           HD1      TYR 125  20.816   0.426 -30.296
  928    HD2  TYR 125           HD2      TYR 125  18.991  -1.885 -27.144
  929    HE1  TYR 125           HE1      TYR 125  20.144  -1.291 -31.950
  930    HE2  TYR 125           HE2      TYR 125  18.304  -3.603 -28.787
  931    HH   TYR 125           HH       TYR 125  18.322  -4.253 -31.028
  Start of MODEL    2
    1   1H    MET   1          H1        MET   1  12.649  13.897  16.830
    2   2H    MET   1          H2        MET   1  11.358  14.679  16.191
    3   3H    MET   1          H3        MET   1  11.135  13.589  17.387
    4    HA   MET   1           HA       MET   1  12.097  13.007  14.679
    5   1HB   MET   1          HB2       MET   1  13.111  11.505  16.360
    6   2HB   MET   1          HB3       MET   1  11.512  11.074  16.968
    7   1HG   MET   1          HG2       MET   1  12.454   9.356  15.468
    8   2HG   MET   1          HG3       MET   1  10.932   9.998  14.881
    9   1HE   MET   1          HE1       MET   1  14.729  11.329  14.559
   10   2HE   MET   1          HE2       MET   1  14.750   9.570  14.288
   11   3HE   MET   1          HE3       MET   1  15.093  10.682  12.946
   12    H    ALA   2           H        ALA   2  10.560  12.284  13.201
   13    HA   ALA   2           HA       ALA   2   7.819  11.711  14.008
   14   1HB   ALA   2          HB1       ALA   2   6.862  13.346  12.399
   15   2HB   ALA   2          HB2       ALA   2   7.744  14.181  13.689
   16   3HB   ALA   2          HB3       ALA   2   8.483  13.996  12.080
   17    H    VAL   3           H        VAL   3   6.650  10.804  12.063
   18    HA   VAL   3           HA       VAL   3   8.354   8.990  10.654
   19    HB   VAL   3           HB       VAL   3   5.476   9.639   9.915
   20   1HG1  VAL   3          HG11      VAL   3   6.798   8.020   8.474
   21   2HG1  VAL   3          HG12      VAL   3   6.992   6.984   9.898
   22   3HG1  VAL   3          HG13      VAL   3   5.379   7.326   9.235
   23   1HG2  VAL   3          HG21      VAL   3   5.389   9.289  12.334
   24   2HG2  VAL   3          HG22      VAL   3   4.785   7.847  11.528
   25   3HG2  VAL   3          HG23      VAL   3   6.430   7.853  12.201
   26    H    ALA   4           H        ALA   4   9.088   9.070   8.519
   27    HA   ALA   4           HA       ALA   4   9.125  11.648   7.110
   28   1HB   ALA   4          HB1       ALA   4  10.360   8.910   6.561
   29   2HB   ALA   4          HB2       ALA   4  10.532  10.308   5.477
   30   3HB   ALA   4          HB3       ALA   4  11.178  10.369   7.121
   31    H    ASP   5           H        ASP   5   8.686  11.211   4.503
   32    HA   ASP   5           HA       ASP   5   6.274   9.592   4.061
   33   1HB   ASP   5          HB2       ASP   5   5.347  11.664   5.054
   34   2HB   ASP   5          HB3       ASP   5   6.245  12.641   3.892
   35    H    LEU   6           H        LEU   6   5.779   9.455   1.801
   36    HA   LEU   6           HA       LEU   6   7.981   9.177   0.095
   37   1HB   LEU   6          HB2       LEU   6   4.989   9.440  -0.421
   38   2HB   LEU   6          HB3       LEU   6   6.140   9.057  -1.682
   39    HG   LEU   6           HG       LEU   6   5.714   7.332   0.786
   40   1HD1  LEU   6          HD11      LEU   6   4.576   5.789  -0.846
   41   2HD1  LEU   6          HD12      LEU   6   3.697   7.294  -0.535
   42   3HD1  LEU   6          HD13      LEU   6   4.593   7.083  -2.042
   43   1HD2  LEU   6          HD21      LEU   6   7.947   6.986  -0.157
   44   2HD2  LEU   6          HD22      LEU   6   6.924   5.608  -0.532
   45   3HD2  LEU   6          HD23      LEU   6   7.259   6.803  -1.790
   46    H    ALA   7           H        ALA   7   5.959  12.076   0.601
   47    HA   ALA   7           HA       ALA   7   6.767  13.378  -1.803
   48   1HB   ALA   7          HB1       ALA   7   5.735  14.551   0.812
   49   2HB   ALA   7          HB2       ALA   7   5.793  15.378  -0.757
   50   3HB   ALA   7          HB3       ALA   7   4.727  13.978  -0.541
   51    H    LEU   8           H        LEU   8   8.399  12.893   1.276
   52    HA   LEU   8           HA       LEU   8  10.048  15.305   1.112
   53   1HB   LEU   8          HB2       LEU   8  10.434  12.801   2.800
   54   2HB   LEU   8          HB3       LEU   8  11.252  14.343   3.012
   55    HG   LEU   8           HG       LEU   8   8.289  13.798   3.454
   56   1HD1  LEU   8          HD11      LEU   8  10.490  14.562   5.417
   57   2HD1  LEU   8          HD12      LEU   8   8.796  14.186   5.802
   58   3HD1  LEU   8          HD13      LEU   8   9.870  12.921   5.179
   59   1HD2  LEU   8          HD21      LEU   8   8.186  16.118   4.358
   60   2HD2  LEU   8          HD22      LEU   8   9.836  16.410   3.765
   61   3HD2  LEU   8          HD23      LEU   8   8.508  16.090   2.625
   62    H    ILE   9           H        ILE   9  10.156  12.121  -0.256
   63    HA   ILE   9           HA       ILE   9  12.953  11.691  -0.379
   64    HB   ILE   9           HB       ILE   9  10.667  10.687  -2.121
   65   1HG1  ILE   9          HG12      ILE   9  12.102   9.440   0.275
   66   2HG1  ILE   9          HG13      ILE   9  10.479  10.134   0.313
   67   1HG2  ILE   9          HG21      ILE   9  12.832  10.423  -3.305
   68   2HG2  ILE   9          HG22      ILE   9  13.503   9.600  -1.882
   69   3HG2  ILE   9          HG23      ILE   9  12.185   8.871  -2.821
   70   1HD1  ILE   9          HD11      ILE   9  11.340   7.644  -1.164
   71   2HD1  ILE   9          HD12      ILE   9  10.244   7.775   0.215
   72   3HD1  ILE   9          HD13      ILE   9   9.750   8.419  -1.370
   73    HA   PRO  10           HA       PRO  10  13.909  14.700  -3.704
   74   1HB   PRO  10          HB2       PRO  10  16.218  12.871  -4.285
   75   2HB   PRO  10          HB3       PRO  10  16.201  14.634  -4.026
   76   1HG   PRO  10          HG2       PRO  10  17.081  12.919  -2.087
   77   2HG   PRO  10          HG3       PRO  10  16.143  14.391  -1.683
   78   1HD   PRO  10          HD2       PRO  10  15.160  11.538  -1.863
   79   2HD   PRO  10          HD3       PRO  10  14.792  12.799  -0.646
   80    H    ASP  11           H        ASP  11  12.393  14.447  -5.239
   81    HA   ASP  11           HA       ASP  11  11.508  11.973  -6.195
   82   1HB   ASP  11          HB2       ASP  11  10.287  14.200  -5.939
   83   2HB   ASP  11          HB3       ASP  11  10.984  14.667  -7.494
   84    H    VAL  12           H        VAL  12  13.789  14.249  -7.651
   85    HA   VAL  12           HA       VAL  12  14.499  12.291  -9.728
   86    HB   VAL  12           HB       VAL  12  13.849  15.226 -10.281
   87   1HG1  VAL  12          HG11      VAL  12  15.763  14.532 -11.631
   88   2HG1  VAL  12          HG12      VAL  12  14.899  13.079 -12.175
   89   3HG1  VAL  12          HG13      VAL  12  14.339  14.697 -12.650
   90   1HG2  VAL  12          HG21      VAL  12  12.139  14.381 -11.858
   91   2HG2  VAL  12          HG22      VAL  12  12.440  12.722 -11.296
   92   3HG2  VAL  12          HG23      VAL  12  11.767  13.932 -10.196
   93    H    ASP  13           H        ASP  13  16.743  12.287  -9.949
   94    HA   ASP  13           HA       ASP  13  18.246  14.706  -9.339
   95   1HB   ASP  13          HB2       ASP  13  18.225  13.743  -7.100
   96   2HB   ASP  13          HB3       ASP  13  18.794  12.196  -7.725
   97    H    ILE  14           H        ILE  14  19.110  14.868 -11.254
   98    HA   ILE  14           HA       ILE  14  20.922  12.870 -12.337
   99    HB   ILE  14           HB       ILE  14  20.005  13.079 -14.606
  100   1HG1  ILE  14          HG12      ILE  14  17.548  14.417 -13.387
  101   2HG1  ILE  14          HG13      ILE  14  18.785  15.241 -14.338
  102   1HG2  ILE  14          HG21      ILE  14  18.250  11.448 -14.438
  103   2HG2  ILE  14          HG22      ILE  14  19.389  11.158 -13.126
  104   3HG2  ILE  14          HG23      ILE  14  17.842  11.958 -12.785
  105   1HD1  ILE  14          HD11      ILE  14  16.907  14.797 -15.762
  106   2HD1  ILE  14          HD12      ILE  14  18.257  13.770 -16.284
  107   3HD1  ILE  14          HD13      ILE  14  16.911  13.077 -15.346
  108    H    ASP  15           H        ASP  15  22.243  14.044 -14.133
  109    HA   ASP  15           HA       ASP  15  21.962  16.955 -14.229
  110   1HB   ASP  15          HB2       ASP  15  23.456  16.731 -12.297
  111   2HB   ASP  15          HB3       ASP  15  24.493  15.613 -13.191
  112    H    SER  16           H        SER  16  22.445  17.606 -16.254
  113    HA   SER  16           HA       SER  16  22.713  15.691 -18.297
  114   1HB   SER  16          HB2       SER  16  22.829  18.723 -18.517
  115   2HB   SER  16          HB3       SER  16  22.232  17.567 -19.723
  116    HG   SER  16           HG       SER  16  20.571  18.613 -18.558
  117    H    ASP  17           H        ASP  17  25.131  15.482 -16.868
  118    HA   ASP  17           HA       ASP  17  27.310  17.035 -17.792
  119   1HB   ASP  17          HB2       ASP  17  27.386  15.636 -15.786
  120   2HB   ASP  17          HB3       ASP  17  27.191  14.177 -16.760
  121    H    GLY  18           H        GLY  18  25.719  14.226 -19.275
  122   1HA   GLY  18          HA2       GLY  18  26.712  14.497 -21.861
  123   2HA   GLY  18          HA3       GLY  18  27.840  13.424 -21.005
  124    H    VAL  19           H        VAL  19  27.119  11.657 -22.367
  125    HA   VAL  19           HA       VAL  19  24.408  10.587 -22.112
  126    HB   VAL  19           HB       VAL  19  27.054   9.452 -23.143
  127   1HG1  VAL  19          HG11      VAL  19  25.650   7.657 -24.191
  128   2HG1  VAL  19          HG12      VAL  19  25.716   7.560 -22.429
  129   3HG1  VAL  19          HG13      VAL  19  24.273   8.224 -23.220
  130   1HG2  VAL  19          HG21      VAL  19  26.131  11.269 -24.559
  131   2HG2  VAL  19          HG22      VAL  19  26.030   9.707 -25.374
  132   3HG2  VAL  19          HG23      VAL  19  24.577  10.412 -24.642
  133    H    PHE  20           H        PHE  20  23.728   9.164 -20.489
  134    HA   PHE  20           HA       PHE  20  25.573   7.504 -19.047
  135   1HB   PHE  20          HB2       PHE  20  24.983   8.254 -16.774
  136   2HB   PHE  20          HB3       PHE  20  25.932   9.442 -17.634
  137    HD1  PHE  20           HD1      PHE  20  22.627   8.736 -16.144
  138    HD2  PHE  20           HD2      PHE  20  24.953  11.576 -18.381
  139    HE1  PHE  20           HE1      PHE  20  20.905  10.470 -15.726
  140    HE2  PHE  20           HE2      PHE  20  23.195  13.288 -18.035
  141    HZ   PHE  20           HZ       PHE  20  21.167  12.745 -16.706
  142    H    LYS  21           H        LYS  21  24.229   6.177 -17.357
  143    HA   LYS  21           HA       LYS  21  21.673   5.494 -18.715
  144   1HB   LYS  21          HB2       LYS  21  23.485   3.893 -16.868
  145   2HB   LYS  21          HB3       LYS  21  21.933   3.328 -17.488
  146   1HG   LYS  21          HG2       LYS  21  22.733   3.443 -19.801
  147   2HG   LYS  21          HG3       LYS  21  24.279   4.132 -19.264
  148   1HD   LYS  21          HD2       LYS  21  24.699   2.080 -17.921
  149   2HD   LYS  21          HD3       LYS  21  23.223   1.355 -18.584
  150   1HE   LYS  21          HE2       LYS  21  24.145   1.573 -20.882
  151   2HE   LYS  21          HE3       LYS  21  25.599   2.343 -20.229
  152   1HZ   LYS  21          HZ1       LYS  21  24.754  -0.449 -19.731
  153   2HZ   LYS  21          HZ2       LYS  21  26.032   0.037 -20.621
  154   3HZ   LYS  21          HZ3       LYS  21  26.035   0.273 -18.998
  155    H    TYR  22           H        TYR  22  19.829   4.905 -17.401
  156    HA   TYR  22           HA       TYR  22  19.788   6.098 -14.704
  157   1HB   TYR  22          HB2       TYR  22  18.503   7.839 -15.225
  158   2HB   TYR  22          HB3       TYR  22  18.985   7.595 -16.884
  159    HD1  TYR  22           HD1      TYR  22  16.270   7.588 -14.511
  160    HD2  TYR  22           HD2      TYR  22  17.502   6.063 -18.350
  161    HE1  TYR  22           HE1      TYR  22  13.957   6.825 -14.938
  162    HE2  TYR  22           HE2      TYR  22  15.194   5.270 -18.774
  163    HH   TYR  22           HH       TYR  22  12.559   5.682 -16.363
  164    H    VAL  23           H        VAL  23  17.589   5.583 -13.659
  165    HA   VAL  23           HA       VAL  23  16.288   3.172 -14.681
  166    HB   VAL  23           HB       VAL  23  18.259   2.469 -13.265
  167   1HG1  VAL  23          HG11      VAL  23  16.644   3.560 -10.935
  168   2HG1  VAL  23          HG12      VAL  23  18.147   2.640 -10.842
  169   3HG1  VAL  23          HG13      VAL  23  18.136   4.272 -11.551
  170   1HG2  VAL  23          HG21      VAL  23  16.387   0.951 -13.631
  171   2HG2  VAL  23          HG22      VAL  23  17.104   0.735 -12.034
  172   3HG2  VAL  23          HG23      VAL  23  15.556   1.594 -12.193
  173    H    LEU  24           H        LEU  24  14.209   2.845 -13.681
  174    HA   LEU  24           HA       LEU  24  13.047   5.294 -12.433
  175   1HB   LEU  24          HB2       LEU  24  12.276   4.816 -14.761
  176   2HB   LEU  24          HB3       LEU  24  11.776   3.208 -14.259
  177    HG   LEU  24           HG       LEU  24  10.107   4.277 -12.672
  178   1HD1  LEU  24          HD11      LEU  24  11.005   6.839 -14.070
  179   2HD1  LEU  24          HD12      LEU  24   9.569   6.679 -13.044
  180   3HD1  LEU  24          HD13      LEU  24  11.166   6.473 -12.332
  181   1HD2  LEU  24          HD21      LEU  24   9.844   5.132 -15.583
  182   2HD2  LEU  24          HD22      LEU  24   9.477   3.511 -14.939
  183   3HD2  LEU  24          HD23      LEU  24   8.531   4.903 -14.406
  184    H    ILE  25           H        ILE  25  12.534   4.808 -10.274
  185    HA   ILE  25           HA       ILE  25  11.881   1.983  -9.661
  186    HB   ILE  25           HB       ILE  25  13.923   1.776  -9.061
  187   1HG1  ILE  25          HG12      ILE  25  12.565   1.493  -6.989
  188   2HG1  ILE  25          HG13      ILE  25  14.303   1.642  -6.800
  189   1HG2  ILE  25          HG21      ILE  25  14.468   4.584  -8.155
  190   2HG2  ILE  25          HG22      ILE  25  15.618   3.205  -8.249
  191   3HG2  ILE  25          HG23      ILE  25  14.890   3.876  -9.714
  192   1HD1  ILE  25          HD11      ILE  25  13.172   2.828  -5.039
  193   2HD1  ILE  25          HD12      ILE  25  14.117   3.939  -6.013
  194   3HD1  ILE  25          HD13      ILE  25  12.345   3.870  -6.196
  195    H    ARG  26           H        ARG  26  10.322   1.576  -8.396
  196    HA   ARG  26           HA       ARG  26   8.527   3.739  -7.527
  197   1HB   ARG  26          HB2       ARG  26   7.637   1.798  -8.695
  198   2HB   ARG  26          HB3       ARG  26   8.360   0.686  -7.535
  199   1HG   ARG  26          HG2       ARG  26   6.859   1.287  -5.806
  200   2HG   ARG  26          HG3       ARG  26   6.371   2.786  -6.608
  201   1HD   ARG  26          HD2       ARG  26   5.770   0.021  -7.738
  202   2HD   ARG  26          HD3       ARG  26   4.659   0.921  -6.682
  203    HE   ARG  26           HE       ARG  26   5.331   2.735  -8.640
  204   1HH1  ARG  26          HH11      ARG  26   3.711  -0.435  -8.684
  205   2HH1  ARG  26          HH12      ARG  26   2.842  -0.112 -10.137
  206   1HH2  ARG  26          HH22      ARG  26   4.263   3.148 -10.559
  207   2HH2  ARG  26          HH21      ARG  26   3.133   2.002 -11.219
  208    H    VAL  27           H        VAL  27   8.058   4.114  -5.367
  209    HA   VAL  27           HA       VAL  27   9.525   2.605  -3.271
  210    HB   VAL  27           HB       VAL  27   8.872   5.588  -3.209
  211   1HG1  VAL  27          HG11      VAL  27  10.438   5.593  -1.310
  212   2HG1  VAL  27          HG12      VAL  27   9.141   4.436  -1.020
  213   3HG1  VAL  27          HG13      VAL  27  10.747   3.870  -1.532
  214   1HG2  VAL  27          HG21      VAL  27  11.559   4.348  -3.908
  215   2HG2  VAL  27          HG22      VAL  27  10.550   5.355  -4.977
  216   3HG2  VAL  27          HG23      VAL  27  11.275   6.062  -3.536
  217    H    HIS  28           H        HIS  28   8.104   1.816  -1.772
  218    HA   HIS  28           HA       HIS  28   5.203   2.466  -1.979
  219   1HB   HIS  28          HB2       HIS  28   6.692   0.320  -0.417
  220   2HB   HIS  28          HB3       HIS  28   4.946   0.448  -0.633
  221    HD1  HIS  28           HD1      HIS  28   4.347   0.483  -3.551
  222    HD2  HIS  28           HD2      HIS  28   7.804  -1.381  -2.037
  223    HE1  HIS  28           HE1      HIS  28   5.084  -1.215  -5.308
  224    H    SER  29           H        SER  29   4.017   3.030  -0.071
  225    HA   SER  29           HA       SER  29   5.275   4.858   1.698
  226   1HB   SER  29          HB2       SER  29   2.589   3.508   2.009
  227   2HB   SER  29          HB3       SER  29   3.142   4.958   2.862
  228    HG   SER  29           HG       SER  29   2.782   4.691   0.052
  229    H    ALA  30           H        ALA  30   7.034   3.614   2.537
  230    HA   ALA  30           HA       ALA  30   6.294   2.609   5.196
  231   1HB   ALA  30          HB1       ALA  30   6.643   0.585   3.909
  232   2HB   ALA  30          HB2       ALA  30   8.207   1.161   3.319
  233   3HB   ALA  30          HB3       ALA  30   7.985   0.787   5.042
  234    HA   PRO  31           HA       PRO  31  10.350   5.367   5.069
  235   1HB   PRO  31          HB2       PRO  31   8.423   7.646   5.409
  236   2HB   PRO  31          HB3       PRO  31  10.089   7.655   4.736
  237   1HG   PRO  31          HG2       PRO  31   7.887   7.758   3.135
  238   2HG   PRO  31          HG3       PRO  31   9.357   6.873   2.663
  239   1HD   PRO  31          HD2       PRO  31   6.756   5.810   3.723
  240   2HD   PRO  31          HD3       PRO  31   7.906   5.094   2.544
  241    H    ARG  32           H        ARG  32  11.124   5.564   7.075
  242    HA   ARG  32           HA       ARG  32  11.325   4.882   9.192
  243   1HB   ARG  32          HB2       ARG  32   9.469   7.259   9.511
  244   2HB   ARG  32          HB3       ARG  32  10.381   6.525  10.842
  245   1HG   ARG  32          HG2       ARG  32  12.508   6.912   9.619
  246   2HG   ARG  32          HG3       ARG  32  11.616   7.725   8.326
  247   1HD   ARG  32          HD2       ARG  32  10.826   9.419   9.959
  248   2HD   ARG  32          HD3       ARG  32  11.777   8.635  11.230
  249    HE   ARG  32           HE       ARG  32  13.706   9.027   9.457
  250   1HH1  ARG  32          HH21      ARG  32  11.226  11.340  10.543
  251   2HH1  ARG  32          HH22      ARG  32  12.129  12.731  10.048
  252   1HH2  ARG  32          HH11      ARG  32  14.926  10.880   8.896
  253   2HH2  ARG  32          HH12      ARG  32  14.298  12.459   9.161
  254    H    SER  33           H        SER  33   9.358   3.291   7.827
  255    HA   SER  33           HA       SER  33   7.988   1.594   8.242
  256   1HB   SER  33          HB2       SER  33   9.334   1.605  10.964
  257   2HB   SER  33          HB3       SER  33   8.673   0.209  10.094
  258    HG   SER  33           HG       SER  33  10.949   0.390   9.871
  259    H    GLY  34           H        GLY  34   6.680   4.170   8.840
  260   1HA   GLY  34          HA2       GLY  34   4.451   3.120  10.484
  261   2HA   GLY  34          HA3       GLY  34   5.316   4.539  11.093
  262    H    ALA  35           H        ALA  35   4.930   4.122   7.609
  263    HA   ALA  35           HA       ALA  35   3.679   6.654   7.299
  264   1HB   ALA  35          HB1       ALA  35   3.450   5.992   4.940
  265   2HB   ALA  35          HB2       ALA  35   5.056   5.561   5.554
  266   3HB   ALA  35          HB3       ALA  35   3.803   4.305   5.366
  267    HA   PRO  36           HA       PRO  36  -0.473   5.580   8.212
  268   1HB   PRO  36          HB2       PRO  36  -1.910   7.630   7.135
  269   2HB   PRO  36          HB3       PRO  36  -0.684   7.891   8.410
  270   1HG   PRO  36          HG2       PRO  36  -0.314   8.168   5.404
  271   2HG   PRO  36          HG3       PRO  36   0.082   9.370   6.679
  272   1HD   PRO  36          HD2       PRO  36   1.963   7.672   5.684
  273   2HD   PRO  36          HD3       PRO  36   1.936   8.114   7.417
  274    H    ALA  37           H        ALA  37   0.549   4.959   5.075
  275    HA   ALA  37           HA       ALA  37  -2.014   3.812   4.195
  276   1HB   ALA  37          HB1       ALA  37  -2.015   5.137   2.125
  277   2HB   ALA  37          HB2       ALA  37  -2.040   6.230   3.517
  278   3HB   ALA  37          HB3       ALA  37  -0.524   5.973   2.626
  279    H    ALA  38           H        ALA  38  -1.443   3.112   1.696
  280    HA   ALA  38           HA       ALA  38   1.295   2.007   1.502
  281   1HB   ALA  38          HB1       ALA  38  -1.218   0.383   0.977
  282   2HB   ALA  38          HB2       ALA  38   0.470  -0.135   0.740
  283   3HB   ALA  38          HB3       ALA  38  -0.133   0.186   2.377
  284    H    GLU  39           H        GLU  39   0.375   4.379   0.418
  285    HA   GLU  39           HA       GLU  39  -0.225   3.946  -2.403
  286   1HB   GLU  39          HB2       GLU  39   0.800   6.393  -0.880
  287   2HB   GLU  39          HB3       GLU  39   0.332   6.392  -2.578
  288   1HG   GLU  39          HG2       GLU  39  -1.514   5.858  -0.212
  289   2HG   GLU  39          HG3       GLU  39  -1.431   7.334  -1.161
  290    H    SER  40           H        SER  40   1.463   4.857  -4.037
  291    HA   SER  40           HA       SER  40   4.242   4.465  -3.196
  292   1HB   SER  40          HB2       SER  40   3.167   3.037  -5.651
  293   2HB   SER  40          HB3       SER  40   4.767   2.891  -4.921
  294    HG   SER  40           HG       SER  40   2.308   2.048  -3.767
  295    H    LYS  41           H        LYS  41   5.744   5.297  -4.848
  296    HA   LYS  41           HA       LYS  41   4.672   6.777  -7.108
  297   1HB   LYS  41          HB2       LYS  41   5.816   8.937  -6.468
  298   2HB   LYS  41          HB3       LYS  41   4.362   8.539  -5.587
  299   1HG   LYS  41          HG2       LYS  41   5.745   9.428  -3.971
  300   2HG   LYS  41          HG3       LYS  41   5.785   7.709  -3.685
  301   1HD   LYS  41          HD2       LYS  41   7.968   8.588  -3.296
  302   2HD   LYS  41          HD3       LYS  41   8.036   7.562  -4.711
  303   1HE   LYS  41          HE2       LYS  41   9.368   9.543  -5.060
  304   2HE   LYS  41          HE3       LYS  41   8.012   9.569  -6.180
  305   1HZ   LYS  41          HZ1       LYS  41   8.337  11.700  -5.243
  306   2HZ   LYS  41          HZ2       LYS  41   6.927  11.154  -4.633
  307   3HZ   LYS  41          HZ3       LYS  41   8.259  11.156  -3.669
  308    H    GLU  42           H        GLU  42   6.514   7.676  -8.440
  309    HA   GLU  42           HA       GLU  42   8.768   5.731  -8.312
  310   1HB   GLU  42          HB2       GLU  42   7.303   7.127 -10.580
  311   2HB   GLU  42          HB3       GLU  42   8.956   6.563 -10.778
  312   1HG   GLU  42          HG2       GLU  42   7.591   4.884 -11.662
  313   2HG   GLU  42          HG3       GLU  42   8.274   4.260 -10.167
  314    H    ILE  43           H        ILE  43  10.886   6.467  -8.679
  315    HA   ILE  43           HA       ILE  43  11.293   9.395  -8.847
  316    HB   ILE  43           HB       ILE  43  13.241   9.216  -7.375
  317   1HG1  ILE  43          HG12      ILE  43  12.299   6.384  -6.751
  318   2HG1  ILE  43          HG13      ILE  43  13.758   6.810  -7.647
  319   1HG2  ILE  43          HG21      ILE  43  10.789   8.196  -5.906
  320   2HG2  ILE  43          HG22      ILE  43  12.023   9.349  -5.339
  321   3HG2  ILE  43          HG23      ILE  43  10.893   9.831  -6.607
  322   1HD1  ILE  43          HD11      ILE  43  13.211   7.482  -4.720
  323   2HD1  ILE  43          HD12      ILE  43  14.295   6.239  -5.329
  324   3HD1  ILE  43          HD13      ILE  43  14.667   7.948  -5.634
  325    H    VAL  44           H        VAL  44  13.281   9.987  -9.818
  326    HA   VAL  44           HA       VAL  44  14.092   8.041 -11.943
  327    HB   VAL  44           HB       VAL  44  13.741  11.064 -12.099
  328   1HG1  VAL  44          HG11      VAL  44  15.315  10.151 -13.778
  329   2HG1  VAL  44          HG12      VAL  44  14.055   9.018 -14.322
  330   3HG1  VAL  44          HG13      VAL  44  13.831  10.759 -14.521
  331   1HG2  VAL  44          HG21      VAL  44  11.509  10.083 -11.769
  332   2HG2  VAL  44          HG22      VAL  44  11.713  10.685 -13.406
  333   3HG2  VAL  44          HG23      VAL  44  11.812   8.936 -13.096
  334    H    ARG  45           H        ARG  45  16.247   7.527 -11.745
  335    HA   ARG  45           HA       ARG  45  18.135   9.636 -10.798
  336   1HB   ARG  45          HB2       ARG  45  18.007   6.763  -9.763
  337   2HB   ARG  45          HB3       ARG  45  19.280   7.913  -9.378
  338   1HG   ARG  45          HG2       ARG  45  16.339   8.155  -8.578
  339   2HG   ARG  45          HG3       ARG  45  17.672   7.671  -7.540
  340   1HD   ARG  45          HD2       ARG  45  18.724   9.873  -7.771
  341   2HD   ARG  45          HD3       ARG  45  17.419  10.414  -8.810
  342    HE   ARG  45           HE       ARG  45  15.947  10.529  -7.019
  343   1HH1  ARG  45          HH11      ARG  45  19.112   9.367  -5.926
  344   2HH1  ARG  45          HH12      ARG  45  18.700   9.361  -4.250
  345   1HH2  ARG  45          HH21      ARG  45  15.408  10.619  -4.807
  346   2HH2  ARG  45          HH22      ARG  45  16.528  10.068  -3.599
  347    H    GLY  46           H        GLY  46  20.203   9.445 -11.708
  348   1HA   GLY  46          HA2       GLY  46  21.160   7.182 -13.114
  349   2HA   GLY  46          HA3       GLY  46  20.451   8.327 -14.268
  350    H    TYR  47           H        TYR  47  23.327   7.495 -13.563
  351    HA   TYR  47           HA       TYR  47  24.502  10.188 -13.484
  352   1HB   TYR  47          HB2       TYR  47  25.321   8.117 -11.413
  353   2HB   TYR  47          HB3       TYR  47  25.877   9.774 -11.541
  354    HD1  TYR  47           HD1      TYR  47  24.559  11.617 -10.540
  355    HD2  TYR  47           HD2      TYR  47  23.138   7.556 -10.512
  356    HE1  TYR  47           HE1      TYR  47  22.904  12.216  -8.799
  357    HE2  TYR  47           HE2      TYR  47  21.481   8.134  -8.752
  358    HH   TYR  47           HH       TYR  47  21.213  11.458  -7.410
  359    H    LYS  48           H        LYS  48  26.787  10.079 -14.089
  360    HA   LYS  48           HA       LYS  48  27.360   8.089 -16.008
  361   1HB   LYS  48          HB2       LYS  48  28.295  10.421 -15.934
  362   2HB   LYS  48          HB3       LYS  48  29.296   9.953 -14.561
  363   1HG   LYS  48          HG2       LYS  48  30.613   9.981 -16.578
  364   2HG   LYS  48          HG3       LYS  48  30.505   8.323 -15.995
  365   1HD   LYS  48          HD2       LYS  48  28.757   7.829 -17.689
  366   2HD   LYS  48          HD3       LYS  48  28.808   9.501 -18.255
  367   1HE   LYS  48          HE2       LYS  48  31.145   7.532 -18.312
  368   2HE   LYS  48          HE3       LYS  48  30.067   7.851 -19.672
  369   1HZ   LYS  48          HZ1       LYS  48  32.081   9.136 -19.860
  370   2HZ   LYS  48          HZ2       LYS  48  30.825  10.154 -19.666
  371   3HZ   LYS  48          HZ3       LYS  48  31.850   9.859 -18.421
  372    H    TRP  49           H        TRP  49  28.181   8.190 -12.518
  373    HA   TRP  49           HA       TRP  49  30.089   6.078 -12.677
  374   1HB   TRP  49          HB2       TRP  49  29.669   5.837 -10.207
  375   2HB   TRP  49          HB3       TRP  49  30.272   7.365 -10.793
  376    HD1  TRP  49           HD1      TRP  49  29.169   9.440  -9.925
  377    HE1  TRP  49           HE1      TRP  49  27.120  10.022  -8.528
  378    HE3  TRP  49           HE3      TRP  49  26.893   4.842  -9.858
  379    HZ2  TRP  49           HZ2      TRP  49  24.760   8.669  -7.514
  380    HZ3  TRP  49           HZ3      TRP  49  24.691   4.563  -8.801
  381    HH2  TRP  49           HH2      TRP  49  23.565   6.497  -7.680
  382    H    ALA  50           H        ALA  50  26.538   5.942 -12.715
  383    HA   ALA  50           HA       ALA  50  26.581   3.058 -12.153
  384   1HB   ALA  50          HB1       ALA  50  24.292   4.900 -12.901
  385   2HB   ALA  50          HB2       ALA  50  24.193   3.151 -12.549
  386   3HB   ALA  50          HB3       ALA  50  24.709   4.266 -11.281
  387    H    GLU  51           H        GLU  51  28.144   2.673 -13.866
  388    HA   GLU  51           HA       GLU  51  27.483   2.945 -16.635
  389   1HB   GLU  51          HB2       GLU  51  29.302   1.048 -15.084
  390   2HB   GLU  51          HB3       GLU  51  29.229   1.039 -16.843
  391   1HG   GLU  51          HG2       GLU  51  29.900   3.571 -15.289
  392   2HG   GLU  51          HG3       GLU  51  31.105   2.364 -15.712
  393    H    TYR  52           H        TYR  52  25.899   1.071 -14.298
  394    HA   TYR  52           HA       TYR  52  24.439  -0.366 -16.362
  395   1HB   TYR  52          HB2       TYR  52  24.409  -2.389 -14.682
  396   2HB   TYR  52          HB3       TYR  52  25.612  -2.240 -15.946
  397    HD1  TYR  52           HD1      TYR  52  25.099  -2.462 -12.350
  398    HD2  TYR  52           HD2      TYR  52  27.897  -1.390 -15.433
  399    HE1  TYR  52           HE1      TYR  52  26.954  -2.673 -10.716
  400    HE2  TYR  52           HE2      TYR  52  29.780  -1.592 -13.815
  401    HH   TYR  52           HH       TYR  52  30.387  -2.078 -11.615
  402    H    HIS  53           H        HIS  53  22.281  -0.520 -15.778
  403    HA   HIS  53           HA       HIS  53  21.256   1.396 -14.025
  404   1HB   HIS  53          HB2       HIS  53  19.672  -1.027 -14.897
  405   2HB   HIS  53          HB3       HIS  53  19.104   0.624 -14.665
  406    HD1  HIS  53           HD1      HIS  53  19.446   2.283 -16.834
  407    HD2  HIS  53           HD2      HIS  53  20.987  -1.623 -17.143
  408    HE1  HIS  53           HE1      HIS  53  20.261   1.993 -19.244
  409    H    ALA  54           H        ALA  54  21.972  -2.030 -13.429
  410    HA   ALA  54           HA       ALA  54  20.526  -2.331 -11.010
  411   1HB   ALA  54          HB1       ALA  54  22.072  -4.189 -10.559
  412   2HB   ALA  54          HB2       ALA  54  21.508  -4.228 -12.238
  413   3HB   ALA  54          HB3       ALA  54  23.146  -3.640 -11.859
  414    H    ASP  55           H        ASP  55  23.564  -0.587 -11.668
  415    HA   ASP  55           HA       ASP  55  24.496  -0.623  -8.953
  416   1HB   ASP  55          HB2       ASP  55  25.820   0.030 -11.100
  417   2HB   ASP  55          HB3       ASP  55  25.042   1.584 -10.964
  418    H    ILE  56           H        ILE  56  22.500   1.684 -10.848
  419    HA   ILE  56           HA       ILE  56  22.219   3.507  -8.621
  420    HB   ILE  56           HB       ILE  56  20.055   4.114 -10.184
  421   1HG1  ILE  56          HG12      ILE  56  22.034   2.861 -12.097
  422   2HG1  ILE  56          HG13      ILE  56  20.277   2.681 -11.973
  423   1HG2  ILE  56          HG21      ILE  56  21.659   5.587  -9.183
  424   2HG2  ILE  56          HG22      ILE  56  22.837   5.212 -10.468
  425   3HG2  ILE  56          HG23      ILE  56  21.300   6.035 -10.842
  426   1HD1  ILE  56          HD11      ILE  56  20.854   3.949 -13.929
  427   2HD1  ILE  56          HD12      ILE  56  20.086   5.048 -12.759
  428   3HD1  ILE  56          HD13      ILE  56  21.856   5.068 -12.992
  429    H    TYR  57           H        TYR  57  20.175   0.815  -9.934
  430    HA   TYR  57           HA       TYR  57  18.017   1.372  -8.142
  431   1HB   TYR  57          HB2       TYR  57  17.719  -0.229  -9.948
  432   2HB   TYR  57          HB3       TYR  57  18.978  -1.282  -9.295
  433    HD1  TYR  57           HD1      TYR  57  15.867   0.455  -8.037
  434    HD2  TYR  57           HD2      TYR  57  18.229  -3.149  -8.069
  435    HE1  TYR  57           HE1      TYR  57  14.271  -0.575  -6.471
  436    HE2  TYR  57           HE2      TYR  57  16.617  -4.221  -6.529
  437    HH   TYR  57           HH       TYR  57  13.727  -2.553  -5.227
  438    H    ASP  58           H        ASP  58  21.018  -0.684  -7.705
  439    HA   ASP  58           HA       ASP  58  20.388  -1.508  -5.074
  440   1HB   ASP  58          HB2       ASP  58  22.124  -2.591  -6.385
  441   2HB   ASP  58          HB3       ASP  58  23.088  -1.110  -6.409
  442    H    LYS  59           H        LYS  59  22.382   1.295  -6.179
  443    HA   LYS  59           HA       LYS  59  23.091   2.356  -3.666
  444   1HB   LYS  59          HB2       LYS  59  23.990   3.131  -5.858
  445   2HB   LYS  59          HB3       LYS  59  22.410   3.767  -6.283
  446   1HG   LYS  59          HG2       LYS  59  23.387   5.704  -5.599
  447   2HG   LYS  59          HG3       LYS  59  22.690   5.218  -4.070
  448   1HD   LYS  59          HD2       LYS  59  24.911   4.169  -3.454
  449   2HD   LYS  59          HD3       LYS  59  25.570   4.813  -4.982
  450   1HE   LYS  59          HE2       LYS  59  24.985   7.113  -4.273
  451   2HE   LYS  59          HE3       LYS  59  24.323   6.488  -2.757
  452   1HZ   LYS  59          HZ1       LYS  59  26.548   5.697  -2.188
  453   2HZ   LYS  59          HZ2       LYS  59  27.161   6.275  -3.590
  454   3HZ   LYS  59          HZ3       LYS  59  26.575   7.301  -2.469
  455    H    VAL  60           H        VAL  60  20.268   3.213  -5.721
  456    HA   VAL  60           HA       VAL  60  19.321   5.095  -3.786
  457    HB   VAL  60           HB       VAL  60  18.067   3.949  -6.314
  458   1HG1  VAL  60          HG11      VAL  60  16.572   5.929  -6.214
  459   2HG1  VAL  60          HG12      VAL  60  16.327   4.887  -4.800
  460   3HG1  VAL  60          HG13      VAL  60  17.262   6.372  -4.628
  461   1HG2  VAL  60          HG21      VAL  60  18.878   5.877  -7.426
  462   2HG2  VAL  60          HG22      VAL  60  19.377   6.668  -5.900
  463   3HG2  VAL  60          HG23      VAL  60  20.260   5.278  -6.544
  464    H    SER  61           H        SER  61  18.247   1.715  -4.657
  465    HA   SER  61           HA       SER  61  16.043   1.724  -2.863
  466   1HB   SER  61          HB2       SER  61  16.492   0.066  -4.694
  467   2HB   SER  61          HB3       SER  61  17.751  -0.661  -3.672
  468    HG   SER  61           HG       SER  61  15.651  -1.662  -3.544
  469    H    GLY  62           H        GLY  62  19.567   1.087  -2.343
  470   1HA   GLY  62          HA2       GLY  62  19.438   0.273   0.361
  471   2HA   GLY  62          HA3       GLY  62  20.774   1.148  -0.417
  472    H    ASP  63           H        ASP  63  19.687   3.620  -1.050
  473    HA   ASP  63           HA       ASP  63  19.634   4.932   1.471
  474   1HB   ASP  63          HB2       ASP  63  20.379   6.001  -0.650
  475   2HB   ASP  63          HB3       ASP  63  18.697   6.064  -1.187
  476    H    MET  64           H        MET  64  16.932   4.254  -0.869
  477    HA   MET  64           HA       MET  64  14.874   5.370   0.712
  478   1HB   MET  64          HB2       MET  64  14.753   2.891  -1.058
  479   2HB   MET  64          HB3       MET  64  13.373   3.838  -0.507
  480   1HG   MET  64          HG2       MET  64  15.454   4.805  -2.467
  481   2HG   MET  64          HG3       MET  64  13.811   4.311  -2.802
  482   1HE   MET  64          HE1       MET  64  15.308   8.374  -1.467
  483   2HE   MET  64          HE2       MET  64  15.914   6.930  -0.643
  484   3HE   MET  64          HE3       MET  64  16.129   7.107  -2.404
  485    H    GLN  65           H        GLN  65  16.232   2.001   0.846
  486    HA   GLN  65           HA       GLN  65  14.418   1.133   2.855
  487   1HB   GLN  65          HB2       GLN  65  17.133   0.207   1.862
  488   2HB   GLN  65          HB3       GLN  65  16.321  -0.614   3.199
  489   1HG   GLN  65          HG2       GLN  65  14.420  -1.183   1.802
  490   2HG   GLN  65          HG3       GLN  65  15.032  -0.220   0.463
  491   1HE2  GLN  65          HE22      GLN  65  16.104  -1.424  -1.126
  492   2HE2  GLN  65          HE21      GLN  65  16.905  -2.948  -0.824
  493    H    LYS  66           H        LYS  66  17.601   2.816   3.084
  494    HA   LYS  66           HA       LYS  66  17.789   2.692   5.947
  495   1HB   LYS  66          HB2       LYS  66  19.684   3.245   4.573
  496   2HB   LYS  66          HB3       LYS  66  18.829   4.572   3.822
  497   1HG   LYS  66          HG2       LYS  66  18.814   5.750   6.096
  498   2HG   LYS  66          HG3       LYS  66  19.863   4.442   6.670
  499   1HD   LYS  66          HD2       LYS  66  21.280   6.278   6.010
  500   2HD   LYS  66          HD3       LYS  66  21.451   5.007   4.780
  501   1HE   LYS  66          HE2       LYS  66  19.770   6.229   3.353
  502   2HE   LYS  66          HE3       LYS  66  19.685   7.503   4.566
  503   1HZ   LYS  66          HZ1       LYS  66  21.900   8.125   4.058
  504   2HZ   LYS  66          HZ2       LYS  66  22.201   6.763   3.195
  505   3HZ   LYS  66          HZ3       LYS  66  21.149   7.864   2.608
  506    H    GLN  67           H        GLN  67  16.117   5.008   3.704
  507    HA   GLN  67           HA       GLN  67  14.999   6.617   5.835
  508   1HB   GLN  67          HB2       GLN  67  13.937   6.180   3.011
  509   2HB   GLN  67          HB3       GLN  67  13.393   7.385   4.172
  510   1HG   GLN  67          HG2       GLN  67  15.778   8.296   4.214
  511   2HG   GLN  67          HG3       GLN  67  16.140   7.195   2.887
  512   1HE2  GLN  67          HE22      GLN  67  16.458   8.565   1.120
  513   2HE2  GLN  67          HE21      GLN  67  15.279   9.770   0.635
  514    H    GLY  68           H        GLY  68  14.229   3.409   4.684
  515   1HA   GLY  68          HA2       GLY  68  13.196   2.041   6.430
  516   2HA   GLY  68          HA3       GLY  68  11.936   3.270   6.595
  517    H    CYS  69           H        CYS  69  12.538   3.238   3.366
  518    HA   CYS  69           HA       CYS  69   9.935   2.273   2.799
  519   1HB   CYS  69          HB2       CYS  69  12.223   2.938   0.940
  520   2HB   CYS  69          HB3       CYS  69  10.508   2.963   0.526
  521    HG   CYS  69           HG       CYS  69  11.429   5.417   0.693
  522    H    ASP  70           H        ASP  70   9.697   1.007   0.631
  523    HA   ASP  70           HA       ASP  70  11.506  -1.284   0.288
  524   1HB   ASP  70          HB2       ASP  70   9.601  -2.181   1.587
  525   2HB   ASP  70          HB3       ASP  70   8.465  -1.456   0.442
  526    H    CYS  71           H        CYS  71  11.585  -1.805  -2.038
  527    HA   CYS  71           HA       CYS  71  10.285   0.184  -3.811
  528   1HB   CYS  71          HB2       CYS  71  13.313  -0.186  -3.537
  529   2HB   CYS  71          HB3       CYS  71  12.474   0.886  -4.660
  530    HG   CYS  71           HG       CYS  71  11.104   1.723  -2.213
  531    H    GLU  72           H        GLU  72  10.845  -0.124  -6.124
  532    HA   GLU  72           HA       GLU  72  12.020  -2.713  -6.938
  533   1HB   GLU  72          HB2       GLU  72   9.148  -1.864  -7.560
  534   2HB   GLU  72          HB3       GLU  72  10.014  -3.082  -8.478
  535   1HG   GLU  72          HG2       GLU  72   9.243  -3.264  -5.541
  536   2HG   GLU  72          HG3       GLU  72   8.455  -4.064  -6.890
  537    H    CYS  73           H        CYS  73  13.215  -2.335  -8.836
  538    HA   CYS  73           HA       CYS  73  12.961   0.216 -10.260
  539   1HB   CYS  73          HB2       CYS  73  14.526  -1.036 -11.908
  540   2HB   CYS  73          HB3       CYS  73  15.191  -0.545 -10.361
  541    HG   CYS  73           HG       CYS  73  15.964  -2.999 -11.240
  542    H    LEU  74           H        LEU  74  11.322   0.559 -11.647
  543    HA   LEU  74           HA       LEU  74   9.596  -1.648 -12.512
  544   1HB   LEU  74          HB2       LEU  74   9.598   1.306 -13.267
  545   2HB   LEU  74          HB3       LEU  74   8.355   0.126 -13.669
  546    HG   LEU  74           HG       LEU  74   9.049   1.205 -10.911
  547   1HD1  LEU  74          HD11      LEU  74   6.481   1.276 -12.555
  548   2HD1  LEU  74          HD12      LEU  74   6.751   2.037 -10.974
  549   3HD1  LEU  74          HD13      LEU  74   7.641   2.610 -12.398
  550   1HD2  LEU  74          HD21      LEU  74   7.141  -0.195 -10.059
  551   2HD2  LEU  74          HD22      LEU  74   7.128  -1.063 -11.608
  552   3HD2  LEU  74          HD23      LEU  74   8.546  -1.144 -10.533
  553    H    GLY  75           H        GLY  75  12.329   0.176 -13.758
  554   1HA   GLY  75          HA2       GLY  75  13.141  -1.614 -15.686
  555   2HA   GLY  75          HA3       GLY  75  12.075  -0.478 -16.534
  556    H    GLY  76           H        GLY  76  14.283   0.032 -17.592
  557   1HA   GLY  76          HA2       GLY  76  14.993   2.621 -16.558
  558   2HA   GLY  76          HA3       GLY  76  16.355   1.495 -16.434
  559    H    GLY  77           H        GLY  77  17.260   3.137 -17.974
  560   1HA   GLY  77          HA2       GLY  77  17.319   2.245 -20.675
  561   2HA   GLY  77          HA3       GLY  77  16.274   3.672 -20.527
  562    H    ARG  78           H        ARG  78  17.967   4.745 -21.845
  563    HA   ARG  78           HA       ARG  78  20.280   5.632 -20.188
  564   1HB   ARG  78          HB2       ARG  78  20.885   4.068 -22.078
  565   2HB   ARG  78          HB3       ARG  78  20.250   5.277 -23.207
  566   1HG   ARG  78          HG2       ARG  78  21.969   6.903 -22.374
  567   2HG   ARG  78          HG3       ARG  78  22.540   5.685 -21.223
  568   1HD   ARG  78          HD2       ARG  78  24.017   5.788 -23.143
  569   2HD   ARG  78          HD3       ARG  78  23.223   4.228 -23.051
  570    HE   ARG  78           HE       ARG  78  22.405   6.480 -24.878
  571   1HH1  ARG  78          HH11      ARG  78  22.909   2.980 -24.367
  572   2HH1  ARG  78          HH12      ARG  78  22.265   2.525 -25.916
  573   1HH2  ARG  78          HH21      ARG  78  21.562   5.814 -26.967
  574   2HH2  ARG  78          HH22      ARG  78  21.572   4.123 -27.390
  575    H    ILE  79           H        ILE  79  20.934   7.805 -20.549
  576    HA   ILE  79           HA       ILE  79  18.856   9.572 -21.703
  577    HB   ILE  79           HB       ILE  79  20.607   9.888 -19.236
  578   1HG1  ILE  79          HG12      ILE  79  17.598  10.008 -19.760
  579   2HG1  ILE  79          HG13      ILE  79  18.452   8.693 -18.965
  580   1HG2  ILE  79          HG21      ILE  79  19.793  12.229 -19.086
  581   2HG2  ILE  79          HG22      ILE  79  20.709  12.006 -20.564
  582   3HG2  ILE  79          HG23      ILE  79  18.929  12.043 -20.630
  583   1HD1  ILE  79          HD11      ILE  79  19.054  10.245 -17.099
  584   2HD1  ILE  79          HD12      ILE  79  18.034  11.493 -17.858
  585   3HD1  ILE  79          HD13      ILE  79  17.314   9.980 -17.298
  586    H    SER  80           H        SER  80  19.603  10.679 -23.434
  587    HA   SER  80           HA       SER  80  22.492  11.119 -23.832
  588   1HB   SER  80          HB2       SER  80  20.773   9.575 -25.835
  589   2HB   SER  80          HB3       SER  80  22.487   9.985 -26.007
  590    HG   SER  80           HG       SER  80  22.303   8.757 -23.719
  591    H    HIS  81           H        HIS  81  22.881  12.724 -25.478
  592    HA   HIS  81           HA       HIS  81  20.794  14.696 -25.885
  593   1HB   HIS  81          HB2       HIS  81  22.556  15.755 -27.314
  594   2HB   HIS  81          HB3       HIS  81  23.069  15.416 -25.672
  595    HD1  HIS  81           HD1      HIS  81  23.217  12.549 -28.237
  596    HD2  HIS  81           HD2      HIS  81  25.656  15.453 -26.400
  597    HE1  HIS  81           HE1      HIS  81  25.628  11.899 -28.759
  598    H    GLN  82           H        GLN  82  20.101  15.404 -28.088
  599    HA   GLN  82           HA       GLN  82  20.153  13.268 -30.159
  600   1HB   GLN  82          HB2       GLN  82  17.845  13.552 -30.611
  601   2HB   GLN  82          HB3       GLN  82  17.969  13.385 -28.861
  602   1HG   GLN  82          HG2       GLN  82  17.975  16.015 -28.835
  603   2HG   GLN  82          HG3       GLN  82  17.433  15.896 -30.496
  604   1HE2  GLN  82          HE22      GLN  82  16.612  15.225 -27.127
  605   2HE2  GLN  82          HE21      GLN  82  14.893  14.924 -27.405
  606    H    SER  83           H        SER  83  20.142  14.049 -32.322
  607    HA   SER  83           HA       SER  83  21.819  16.185 -32.722
  608   1HB   SER  83          HB2       SER  83  19.953  14.991 -34.804
  609   2HB   SER  83          HB3       SER  83  21.576  15.662 -35.054
  610    HG   SER  83           HG       SER  83  21.582  13.369 -34.984
  611    H    GLN  84           H        GLN  84  18.360  16.464 -32.363
  612    HA   GLN  84           HA       GLN  84  17.809  18.560 -34.160
  613   1HB   GLN  84          HB2       GLN  84  16.499  18.181 -31.425
  614   2HB   GLN  84          HB3       GLN  84  15.868  19.068 -32.810
  615   1HG   GLN  84          HG2       GLN  84  16.028  16.768 -34.066
  616   2HG   GLN  84          HG3       GLN  84  16.144  16.079 -32.440
  617   1HE2  GLN  84          HE22      GLN  84  14.208  15.878 -31.198
  618   2HE2  GLN  84          HE21      GLN  84  12.657  16.443 -31.782
  619    H    ASP  85           H        ASP  85  18.886  18.730 -30.749
  620    HA   ASP  85           HA       ASP  85  20.043  21.396 -31.083
  621   1HB   ASP  85          HB2       ASP  85  17.549  21.811 -30.847
  622   2HB   ASP  85          HB3       ASP  85  17.613  21.033 -29.271
  623    H    LYS  86           H        LYS  86  20.721  18.574 -30.130
  624    HA   LYS  86           HA       LYS  86  21.654  17.413 -28.502
  625   1HB   LYS  86          HB2       LYS  86  22.701  20.074 -27.478
  626   2HB   LYS  86          HB3       LYS  86  23.274  18.477 -26.991
  627   1HG   LYS  86          HG2       LYS  86  23.904  17.974 -29.347
  628   2HG   LYS  86          HG3       LYS  86  23.407  19.614 -29.813
  629   1HD   LYS  86          HD2       LYS  86  25.102  20.571 -28.261
  630   2HD   LYS  86          HD3       LYS  86  25.558  18.939 -27.760
  631   1HE   LYS  86          HE2       LYS  86  27.199  19.680 -29.328
  632   2HE   LYS  86          HE3       LYS  86  26.246  18.412 -30.099
  633   1HZ   LYS  86          HZ1       LYS  86  26.637  20.288 -31.574
  634   2HZ   LYS  86          HZ2       LYS  86  25.038  20.150 -31.300
  635   3HZ   LYS  86          HZ3       LYS  86  25.906  21.324 -30.556
  636    H    LYS  87           H        LYS  87  18.875  18.600 -28.051
  637    HA   LYS  87           HA       LYS  87  18.405  18.866 -25.262
  638   1HB   LYS  87          HB2       LYS  87  16.768  19.522 -26.949
  639   2HB   LYS  87          HB3       LYS  87  16.611  17.859 -27.532
  640   1HG   LYS  87          HG2       LYS  87  15.527  17.158 -25.492
  641   2HG   LYS  87          HG3       LYS  87  15.999  18.641 -24.649
  642   1HD   LYS  87          HD2       LYS  87  13.650  18.732 -25.174
  643   2HD   LYS  87          HD3       LYS  87  14.515  19.967 -26.098
  644   1HE   LYS  87          HE2       LYS  87  14.477  18.344 -28.082
  645   2HE   LYS  87          HE3       LYS  87  13.443  17.293 -27.106
  646   1HZ   LYS  87          HZ1       LYS  87  11.927  19.304 -26.908
  647   2HZ   LYS  87          HZ2       LYS  87  12.826  20.023 -28.060
  648   3HZ   LYS  87          HZ3       LYS  87  12.026  18.650 -28.421
  649    H    ILE  88           H        ILE  88  18.478  17.347 -23.640
  650    HA   ILE  88           HA       ILE  88  19.289  14.663 -24.235
  651    HB   ILE  88           HB       ILE  88  18.757  14.273 -21.778
  652   1HG1  ILE  88          HG12      ILE  88  18.704  17.307 -21.541
  653   2HG1  ILE  88          HG13      ILE  88  17.213  16.389 -21.672
  654   1HG2  ILE  88          HG21      ILE  88  21.010  14.669 -22.699
  655   2HG2  ILE  88          HG22      ILE  88  20.782  16.423 -22.553
  656   3HG2  ILE  88          HG23      ILE  88  20.848  15.401 -21.102
  657   1HD1  ILE  88          HD11      ILE  88  17.882  15.040 -19.664
  658   2HD1  ILE  88          HD12      ILE  88  19.329  16.057 -19.498
  659   3HD1  ILE  88          HD13      ILE  88  17.717  16.770 -19.323
  660    H    HIS  89           H        HIS  89  18.206  12.741 -23.965
  661    HA   HIS  89           HA       HIS  89  15.257  12.733 -24.275
  662   1HB   HIS  89          HB2       HIS  89  16.560  12.938 -26.451
  663   2HB   HIS  89          HB3       HIS  89  17.387  11.444 -26.051
  664    HD1  HIS  89           HD1      HIS  89  13.859  12.695 -27.003
  665    HD2  HIS  89           HD2      HIS  89  16.238   9.235 -26.803
  666    HE1  HIS  89           HE1      HIS  89  12.558  10.841 -28.214
  667    H    VAL  90           H        VAL  90  14.366  10.752 -23.495
  668    HA   VAL  90           HA       VAL  90  16.242   8.998 -21.969
  669    HB   VAL  90           HB       VAL  90  13.312   9.501 -21.333
  670   1HG1  VAL  90          HG11      VAL  90  13.899   8.666 -19.148
  671   2HG1  VAL  90          HG12      VAL  90  14.599   7.551 -20.337
  672   3HG1  VAL  90          HG13      VAL  90  15.635   8.718 -19.518
  673   1HG2  VAL  90          HG21      VAL  90  15.652  11.158 -20.303
  674   2HG2  VAL  90          HG22      VAL  90  14.234  11.736 -21.206
  675   3HG2  VAL  90          HG23      VAL  90  14.033  11.114 -19.570
  676    H    TYR  91           H        TYR  91  16.373   6.962 -22.924
  677    HA   TYR  91           HA       TYR  91  14.034   5.745 -24.183
  678   1HB   TYR  91          HB2       TYR  91  14.712   5.868 -26.410
  679   2HB   TYR  91          HB3       TYR  91  14.814   7.488 -25.823
  680    HD1  TYR  91           HD1      TYR  91  17.717   7.051 -24.432
  681    HD2  TYR  91           HD2      TYR  91  16.048   6.247 -28.337
  682    HE1  TYR  91           HE1      TYR  91  19.931   7.292 -25.413
  683    HE2  TYR  91           HE2      TYR  91  18.289   6.525 -29.341
  684    HH   TYR  91           HH       TYR  91  20.532   7.066 -28.953
  685    H    GLY  92           H        GLY  92  15.082   3.842 -25.747
  686   1HA   GLY  92          HA2       GLY  92  16.361   1.909 -25.819
  687   2HA   GLY  92          HA3       GLY  92  17.435   2.575 -24.579
  688    H    TYR  93           H        TYR  93  17.399   0.493 -23.523
  689    HA   TYR  93           HA       TYR  93  15.145   0.179 -21.678
  690   1HB   TYR  93          HB2       TYR  93  15.017  -2.248 -22.107
  691   2HB   TYR  93          HB3       TYR  93  14.503  -1.315 -23.498
  692    HD1  TYR  93           HD1      TYR  93  16.929  -3.737 -22.202
  693    HD2  TYR  93           HD2      TYR  93  15.940  -1.206 -25.556
  694    HE1  TYR  93           HE1      TYR  93  18.484  -5.028 -23.628
  695    HE2  TYR  93           HE2      TYR  93  17.483  -2.490 -26.990
  696    HH   TYR  93           HH       TYR  93  18.958  -4.302 -27.117
  697    H    SER  94           H        SER  94  15.774  -0.954 -19.734
  698    HA   SER  94           HA       SER  94  18.569  -0.752 -19.119
  699   1HB   SER  94          HB2       SER  94  17.114  -0.410 -17.313
  700   2HB   SER  94          HB3       SER  94  16.193  -1.892 -17.637
  701    HG   SER  94           HG       SER  94  17.872  -1.856 -15.872
  702    H    MET  95           H        MET  95  20.140  -2.225 -19.408
  703    HA   MET  95           HA       MET  95  19.650  -4.768 -20.653
  704   1HB   MET  95          HB2       MET  95  22.067  -5.202 -20.190
  705   2HB   MET  95          HB3       MET  95  21.710  -3.757 -21.110
  706   1HG   MET  95          HG2       MET  95  23.511  -3.344 -19.566
  707   2HG   MET  95          HG3       MET  95  22.133  -2.327 -19.210
  708   1HE   MET  95          HE1       MET  95  24.437  -5.268 -18.054
  709   2HE   MET  95          HE2       MET  95  23.648  -5.835 -16.565
  710   3HE   MET  95          HE3       MET  95  22.886  -6.136 -18.139
  711    H    ALA  96           H        ALA  96  19.069  -3.848 -17.430
  712    HA   ALA  96           HA       ALA  96  19.361  -6.670 -16.480
  713   1HB   ALA  96          HB1       ALA  96  19.533  -5.692 -14.229
  714   2HB   ALA  96          HB2       ALA  96  20.813  -5.080 -15.292
  715   3HB   ALA  96          HB3       ALA  96  19.403  -4.059 -14.911
  716    H    TYR  97           H        TYR  97  17.137  -3.921 -16.828
  717    HA   TYR  97           HA       TYR  97  14.972  -5.530 -15.543
  718   1HB   TYR  97          HB2       TYR  97  15.382  -2.535 -15.316
  719   2HB   TYR  97          HB3       TYR  97  14.211  -3.516 -14.448
  720    HD1  TYR  97           HD1      TYR  97  15.669  -5.744 -13.321
  721    HD2  TYR  97           HD2      TYR  97  16.902  -1.630 -13.760
  722    HE1  TYR  97           HE1      TYR  97  17.270  -6.036 -11.471
  723    HE2  TYR  97           HE2      TYR  97  18.495  -1.909 -11.893
  724    HH   TYR  97           HH       TYR  97  18.881  -5.038 -10.142
  725    H    GLY  98           H        GLY  98  15.791  -4.308 -18.549
  726   1HA   GLY  98          HA2       GLY  98  14.483  -4.155 -20.427
  727   2HA   GLY  98          HA3       GLY  98  13.049  -4.503 -19.458
  728    HA   PRO  99           HA       PRO  99  13.244  -0.014 -20.828
  729   1HB   PRO  99          HB2       PRO  99  10.877   0.156 -22.208
  730   2HB   PRO  99          HB3       PRO  99  12.405  -0.411 -22.937
  731   1HG   PRO  99          HG2       PRO  99  10.123  -2.076 -21.847
  732   2HG   PRO  99          HG3       PRO  99  11.030  -2.298 -23.375
  733   1HD   PRO  99          HD2       PRO  99  11.579  -3.726 -21.101
  734   2HD   PRO  99          HD3       PRO  99  12.860  -3.259 -22.256
  735    H    ALA 100           H        ALA 100  12.656   1.467 -19.401
  736    HA   ALA 100           HA       ALA 100  10.495   1.078 -17.454
  737   1HB   ALA 100          HB1       ALA 100  12.461   2.349 -16.757
  738   2HB   ALA 100          HB2       ALA 100  12.363   3.351 -18.223
  739   3HB   ALA 100          HB3       ALA 100  11.150   3.504 -16.932
  740    H    GLN 101           H        GLN 101   8.838   2.831 -17.239
  741    HA   GLN 101           HA       GLN 101   7.604   3.603 -19.810
  742   1HB   GLN 101          HB2       GLN 101   6.813   4.102 -16.904
  743   2HB   GLN 101          HB3       GLN 101   5.912   4.689 -18.308
  744   1HG   GLN 101          HG2       GLN 101   6.358   1.792 -17.516
  745   2HG   GLN 101          HG3       GLN 101   4.869   2.741 -17.360
  746   1HE2  GLN 101          HE22      GLN 101   3.846   3.553 -19.442
  747   2HE2  GLN 101          HE21      GLN 101   4.020   2.573 -20.874
  748    H    HIS 102           H        HIS 102   9.505   4.854 -20.502
  749    HA   HIS 102           HA       HIS 102  10.623   6.955 -19.042
  750   1HB   HIS 102          HB2       HIS 102  10.303   6.793 -22.044
  751   2HB   HIS 102          HB3       HIS 102  11.488   7.768 -21.176
  752    HD1  HIS 102           HD1      HIS 102  11.198   4.374 -22.717
  753    HD2  HIS 102           HD2      HIS 102  13.107   6.150 -19.429
  754    HE1  HIS 102           HE1      HIS 102  12.925   2.696 -21.867
  755    H    ALA 103           H        ALA 103   7.447   6.894 -20.394
  756    HA   ALA 103           HA       ALA 103   6.856   9.656 -20.640
  757   1HB   ALA 103          HB1       ALA 103   4.538   8.913 -20.121
  758   2HB   ALA 103          HB2       ALA 103   5.311   7.875 -21.326
  759   3HB   ALA 103          HB3       ALA 103   5.154   7.313 -19.642
  760    H    ILE 104           H        ILE 104   7.062   7.493 -17.761
  761    HA   ILE 104           HA       ILE 104   6.069   9.389 -15.834
  762    HB   ILE 104           HB       ILE 104   8.042   7.100 -15.430
  763   1HG1  ILE 104          HG12      ILE 104   5.930   6.283 -16.505
  764   2HG1  ILE 104          HG13      ILE 104   6.319   5.578 -14.949
  765   1HG2  ILE 104          HG21      ILE 104   6.254   8.582 -13.462
  766   2HG2  ILE 104          HG22      ILE 104   7.133   7.082 -13.094
  767   3HG2  ILE 104          HG23      ILE 104   8.024   8.554 -13.504
  768   1HD1  ILE 104          HD11      ILE 104   4.271   7.786 -15.341
  769   2HD1  ILE 104          HD12      ILE 104   3.921   6.041 -15.243
  770   3HD1  ILE 104          HD13      ILE 104   4.612   6.875 -13.841
  771    H    SER 105           H        SER 105   9.382   8.348 -16.876
  772    HA   SER 105           HA       SER 105  10.865  10.002 -15.278
  773   1HB   SER 105          HB2       SER 105  11.527   9.251 -18.151
  774   2HB   SER 105          HB3       SER 105  12.656   9.568 -16.831
  775    HG   SER 105           HG       SER 105  12.268   7.316 -17.189
  776    H    THR 106           H        THR 106   9.756  10.691 -18.620
  777    HA   THR 106           HA       THR 106  10.887  13.284 -18.707
  778    HB   THR 106           HB       THR 106   9.193  13.612 -20.623
  779    HG1  THR 106           HG1      THR 106   8.906  10.802 -20.305
  780   1HG2  THR 106          HG21      THR 106  11.144  11.267 -20.716
  781   2HG2  THR 106          HG22      THR 106  10.489  12.169 -22.106
  782   3HG2  THR 106          HG23      THR 106  11.546  12.977 -20.942
  783    H    GLU 107           H        GLU 107   7.520  12.303 -17.730
  784    HA   GLU 107           HA       GLU 107   6.655  14.979 -17.345
  785   1HB   GLU 107          HB2       GLU 107   5.768  12.324 -16.158
  786   2HB   GLU 107          HB3       GLU 107   5.041  13.858 -15.668
  787   1HG   GLU 107          HG2       GLU 107   4.467  14.371 -18.022
  788   2HG   GLU 107          HG3       GLU 107   5.141  12.829 -18.535
  789    H    LYS 108           H        LYS 108   8.197  12.678 -15.011
  790    HA   LYS 108           HA       LYS 108   8.096  14.523 -12.814
  791   1HB   LYS 108          HB2       LYS 108   9.974  12.184 -13.377
  792   2HB   LYS 108          HB3       LYS 108   9.936  13.084 -11.865
  793   1HG   LYS 108          HG2       LYS 108   7.743  11.289 -12.944
  794   2HG   LYS 108          HG3       LYS 108   8.769  11.056 -11.533
  795   1HD   LYS 108          HD2       LYS 108   7.671  13.367 -10.748
  796   2HD   LYS 108          HD3       LYS 108   6.450  12.953 -11.946
  797   1HE   LYS 108          HE2       LYS 108   5.674  12.179  -9.839
  798   2HE   LYS 108          HE3       LYS 108   6.117  10.737 -10.761
  799   1HZ   LYS 108          HZ1       LYS 108   8.026  10.451  -9.384
  800   2HZ   LYS 108          HZ2       LYS 108   8.030  12.001  -8.879
  801   3HZ   LYS 108          HZ3       LYS 108   6.896  10.964  -8.333
  802    H    ILE 109           H        ILE 109  10.678  13.903 -15.252
  803    HA   ILE 109           HA       ILE 109  12.531  15.760 -14.141
  804    HB   ILE 109           HB       ILE 109  12.132  14.616 -16.923
  805   1HG1  ILE 109          HG12      ILE 109  14.449  14.235 -14.969
  806   2HG1  ILE 109          HG13      ILE 109  13.016  13.213 -14.924
  807   1HG2  ILE 109          HG21      ILE 109  14.369  15.577 -17.528
  808   2HG2  ILE 109          HG22      ILE 109  13.189  16.845 -17.238
  809   3HG2  ILE 109          HG23      ILE 109  14.389  16.447 -16.003
  810   1HD1  ILE 109          HD11      ILE 109  14.733  12.078 -16.199
  811   2HD1  ILE 109          HD12      ILE 109  13.426  12.541 -17.305
  812   3HD1  ILE 109          HD13      ILE 109  14.949  13.460 -17.269
  813    H    LYS 110           H        LYS 110   9.992  16.254 -16.741
  814    HA   LYS 110           HA       LYS 110  10.686  18.975 -17.114
  815   1HB   LYS 110          HB2       LYS 110   8.063  17.497 -17.561
  816   2HB   LYS 110          HB3       LYS 110   8.303  19.198 -18.002
  817   1HG   LYS 110          HG2       LYS 110  10.089  18.669 -19.526
  818   2HG   LYS 110          HG3       LYS 110  10.081  16.968 -19.046
  819   1HD   LYS 110          HD2       LYS 110   7.807  16.677 -19.931
  820   2HD   LYS 110          HD3       LYS 110   7.736  18.404 -20.364
  821   1HE   LYS 110          HE2       LYS 110   9.688  18.098 -21.876
  822   2HE   LYS 110          HE3       LYS 110   9.760  16.386 -21.447
  823   1HZ   LYS 110          HZ1       LYS 110   7.551  16.123 -22.448
  824   2HZ   LYS 110          HZ2       LYS 110   7.513  17.704 -22.865
  825   3HZ   LYS 110          HZ3       LYS 110   8.629  16.709 -23.525
  826    H    ALA 111           H        ALA 111   8.467  17.476 -14.714
  827    HA   ALA 111           HA       ALA 111   7.483  19.935 -13.649
  828   1HB   ALA 111          HB1       ALA 111   6.412  17.754 -13.230
  829   2HB   ALA 111          HB2       ALA 111   7.825  17.221 -12.293
  830   3HB   ALA 111          HB3       ALA 111   6.828  18.567 -11.709
  831    H    LYS 112           H        LYS 112  10.262  17.847 -12.592
  832    HA   LYS 112           HA       LYS 112  10.959  19.680 -10.461
  833   1HB   LYS 112          HB2       LYS 112  12.362  17.263 -11.648
  834   2HB   LYS 112          HB3       LYS 112  13.033  18.185 -10.310
  835   1HG   LYS 112          HG2       LYS 112  10.333  16.773 -10.319
  836   2HG   LYS 112          HG3       LYS 112  11.798  16.197  -9.530
  837   1HD   LYS 112          HD2       LYS 112  10.152  18.630  -8.748
  838   2HD   LYS 112          HD3       LYS 112  10.282  17.098  -7.893
  839   1HE   LYS 112          HE2       LYS 112  12.705  17.506  -7.494
  840   2HE   LYS 112          HE3       LYS 112  12.585  19.053  -8.340
  841   1HZ   LYS 112          HZ1       LYS 112  11.033  19.800  -6.633
  842   2HZ   LYS 112          HZ2       LYS 112  11.136  18.371  -5.845
  843   3HZ   LYS 112          HZ3       LYS 112  12.438  19.343  -5.952
  844    H    TYR 113           H        TYR 113  11.792  19.569 -13.811
  845    HA   TYR 113           HA       TYR 113  13.058  20.781 -15.139
  846   1HB   TYR 113          HB2       TYR 113  11.508  22.459 -13.852
  847   2HB   TYR 113          HB3       TYR 113  12.993  23.072 -13.173
  848    HD1  TYR 113           HD1      TYR 113  14.545  24.388 -14.616
  849    HD2  TYR 113           HD2      TYR 113  10.963  22.596 -16.222
  850    HE1  TYR 113           HE1      TYR 113  14.729  25.827 -16.626
  851    HE2  TYR 113           HE2      TYR 113  11.129  24.036 -18.225
  852    HH   TYR 113           HH       TYR 113  12.317  25.724 -19.296
  853    HA   PRO 114           HA       PRO 114  17.144  20.321 -12.818
  854   1HB   PRO 114          HB2       PRO 114  17.996  17.868 -13.595
  855   2HB   PRO 114          HB3       PRO 114  16.858  18.054 -12.221
  856   1HG   PRO 114          HG2       PRO 114  16.222  17.402 -15.101
  857   2HG   PRO 114          HG3       PRO 114  15.651  16.555 -13.628
  858   1HD   PRO 114          HD2       PRO 114  14.180  18.502 -14.916
  859   2HD   PRO 114          HD3       PRO 114  14.096  18.233 -13.147
  860    H    ASP 115           H        ASP 115  15.739  19.999 -15.973
  861    HA   ASP 115           HA       ASP 115  17.951  21.366 -17.257
  862   1HB   ASP 115          HB2       ASP 115  18.219  18.786 -17.622
  863   2HB   ASP 115          HB3       ASP 115  16.784  18.923 -18.635
  864    H    TYR 116           H        TYR 116  16.961  21.943 -19.601
  865    HA   TYR 116           HA       TYR 116  14.671  23.534 -18.916
  866   1HB   TYR 116          HB2       TYR 116  16.002  23.076 -21.613
  867   2HB   TYR 116          HB3       TYR 116  14.881  24.370 -21.216
  868    HD1  TYR 116           HD1      TYR 116  15.548  26.132 -19.501
  869    HD2  TYR 116           HD2      TYR 116  18.355  23.273 -21.106
  870    HE1  TYR 116           HE1      TYR 116  17.420  27.559 -18.742
  871    HE2  TYR 116           HE2      TYR 116  20.239  24.693 -20.351
  872    HH   TYR 116           HH       TYR 116  19.735  27.817 -18.634
  873    H    GLU 117           H        GLU 117  15.131  20.560 -20.887
  874    HA   GLU 117           HA       GLU 117  12.347  19.889 -20.692
  875   1HB   GLU 117          HB2       GLU 117  12.480  21.624 -22.626
  876   2HB   GLU 117          HB3       GLU 117  13.386  20.407 -23.515
  877   1HG   GLU 117          HG2       GLU 117  11.435  18.878 -23.367
  878   2HG   GLU 117          HG3       GLU 117  10.572  20.050 -22.372
  879    H    VAL 118           H        VAL 118  12.013  17.762 -21.929
  880    HA   VAL 118           HA       VAL 118  14.341  16.231 -22.714
  881    HB   VAL 118           HB       VAL 118  13.349  14.272 -21.290
  882   1HG1  VAL 118          HG11      VAL 118  15.080  16.341 -19.930
  883   2HG1  VAL 118          HG12      VAL 118  14.916  14.617 -19.499
  884   3HG1  VAL 118          HG13      VAL 118  15.602  15.055 -21.053
  885   1HG2  VAL 118          HG21      VAL 118  12.472  14.819 -19.119
  886   2HG2  VAL 118          HG22      VAL 118  12.500  16.557 -19.463
  887   3HG2  VAL 118          HG23      VAL 118  11.405  15.476 -20.359
  888    H    THR 119           H        THR 119  13.494  14.074 -23.590
  889    HA   THR 119           HA       THR 119  10.691  14.027 -24.437
  890    HB   THR 119           HB       THR 119  11.651  13.444 -26.822
  891    HG1  THR 119           HG1      THR 119  13.710  14.987 -25.634
  892   1HG2  THR 119          HG21      THR 119  10.201  15.391 -26.404
  893   2HG2  THR 119          HG22      THR 119  11.615  16.352 -25.923
  894   3HG2  THR 119          HG23      THR 119  11.470  15.742 -27.589
  895    H    TRP 120           H        TRP 120  10.396  11.722 -25.594
  896    HA   TRP 120           HA       TRP 120  12.429   9.821 -24.719
  897   1HB   TRP 120          HB2       TRP 120  10.936   8.349 -23.586
  898   2HB   TRP 120          HB3       TRP 120  10.849   9.898 -22.782
  899    HD1  TRP 120           HD1      TRP 120   8.568  11.383 -23.823
  900    HE1  TRP 120           HE1      TRP 120   6.152  10.553 -23.847
  901    HE3  TRP 120           HE3      TRP 120   9.459   6.345 -23.987
  902    HZ2  TRP 120           HZ2      TRP 120   4.771   8.016 -23.988
  903    HZ3  TRP 120           HZ3      TRP 120   7.570   4.749 -23.969
  904    HH2  TRP 120           HH2      TRP 120   5.226   5.565 -23.997
  905    H    ALA 121           H        ALA 121  11.876   7.598 -25.452
  906    HA   ALA 121           HA       ALA 121   9.912   7.378 -27.556
  907   1HB   ALA 121          HB1       ALA 121  12.872   6.750 -28.086
  908   2HB   ALA 121          HB2       ALA 121  11.527   6.372 -29.184
  909   3HB   ALA 121          HB3       ALA 121  11.945   8.067 -28.843
  910    H    ASN 122           H        ASN 122   9.235   5.205 -27.725
  911    HA   ASN 122           HA       ASN 122   9.785   3.576 -25.363
  912   1HB   ASN 122          HB2       ASN 122   7.489   4.084 -26.200
  913   2HB   ASN 122          HB3       ASN 122   7.845   3.197 -27.682
  914   1HD2  ASN 122          HD21      ASN 122   8.289   2.496 -24.097
  915   2HD2  ASN 122          HD22      ASN 122   7.514   0.945 -24.192
  916    H    ASP 123           H        ASP 123  11.968   3.800 -27.370
  917    HA   ASP 123           HA       ASP 123  12.612   1.009 -27.726
  918   1HB   ASP 123          HB2       ASP 123  11.206   1.746 -29.828
  919   2HB   ASP 123          HB3       ASP 123  12.634   2.718 -30.223
  920    H    GLY 124           H        GLY 124  14.843   1.122 -29.051
  921   1HA   GLY 124          HA2       GLY 124  16.589   2.969 -29.577
  922   2HA   GLY 124          HA3       GLY 124  16.561   3.243 -27.832
  923    H    TYR 125           H        TYR 125  18.958   2.629 -28.698
  924    HA   TYR 125           HA       TYR 125  19.538   0.055 -27.497
  925   1HB   TYR 125          HB2       TYR 125  19.267  -0.557 -29.901
  926   2HB   TYR 125          HB3       TYR 125  20.385   0.724 -30.358
  927    HD1  TYR 125           HD1      TYR 125  20.127  -2.440 -28.361
  928    HD2  TYR 125           HD2      TYR 125  22.735   0.293 -30.445
  929    HE1  TYR 125           HE1      TYR 125  21.999  -4.039 -28.092
  930    HE2  TYR 125           HE2      TYR 125  24.617  -1.298 -30.185
  931    HH   TYR 125           HH       TYR 125  24.253  -4.462 -28.512
  Start of MODEL    3
    1   1H    MET   1          H1        MET   1  11.191  14.563  16.891
    2   2H    MET   1          H2        MET   1   9.679  13.988  16.634
    3   3H    MET   1          H3        MET   1  10.958  12.978  16.533
    4    HA   MET   1           HA       MET   1  10.388  15.221  14.726
    5   1HB   MET   1          HB2       MET   1  12.833  14.825  15.086
    6   2HB   MET   1          HB3       MET   1  12.630  13.156  14.540
    7   1HG   MET   1          HG2       MET   1  11.784  14.036  12.344
    8   2HG   MET   1          HG3       MET   1  12.108  15.675  12.902
    9   1HE   MET   1          HE1       MET   1  14.956  15.535  14.347
   10   2HE   MET   1          HE2       MET   1  16.002  15.858  12.951
   11   3HE   MET   1          HE3       MET   1  14.472  16.742  13.132
   12    H    ALA   2           H        ALA   2   8.804  14.717  13.275
   13    HA   ALA   2           HA       ALA   2   7.522  12.197  13.141
   14   1HB   ALA   2          HB1       ALA   2   6.465  14.336  12.482
   15   2HB   ALA   2          HB2       ALA   2   7.576  14.462  11.095
   16   3HB   ALA   2          HB3       ALA   2   6.384  13.151  11.167
   17    H    VAL   3           H        VAL   3   7.367  10.731  11.267
   18    HA   VAL   3           HA       VAL   3   9.902   9.879  10.224
   19    HB   VAL   3           HB       VAL   3   8.487   8.300   8.944
   20   1HG1  VAL   3          HG11      VAL   3   9.255   7.782  11.232
   21   2HG1  VAL   3          HG12      VAL   3   7.738   8.426  11.890
   22   3HG1  VAL   3          HG13      VAL   3   7.721   6.995  10.837
   23   1HG2  VAL   3          HG21      VAL   3   6.447   9.686   8.601
   24   2HG2  VAL   3          HG22      VAL   3   6.095   8.102   9.297
   25   3HG2  VAL   3          HG23      VAL   3   6.070   9.541  10.332
   26    H    ALA   4           H        ALA   4  10.398   9.686   7.897
   27    HA   ALA   4           HA       ALA   4   9.917  12.105   6.375
   28   1HB   ALA   4          HB1       ALA   4  11.029   9.410   5.460
   29   2HB   ALA   4          HB2       ALA   4  11.131  10.945   4.589
   30   3HB   ALA   4          HB3       ALA   4  11.993  10.745   6.122
   31    H    ASP   5           H        ASP   5   9.009  11.725   3.988
   32    HA   ASP   5           HA       ASP   5   6.644   9.977   3.918
   33   1HB   ASP   5          HB2       ASP   5   5.816  11.995   5.085
   34   2HB   ASP   5          HB3       ASP   5   6.490  13.023   3.818
   35    H    LEU   6           H        LEU   6   5.769   9.920   1.693
   36    HA   LEU   6           HA       LEU   6   7.794   9.797  -0.254
   37   1HB   LEU   6          HB2       LEU   6   4.764   9.953  -0.580
   38   2HB   LEU   6          HB3       LEU   6   5.888   9.468  -1.829
   39    HG   LEU   6           HG       LEU   6   5.245   7.977   0.704
   40   1HD1  LEU   6          HD11      LEU   6   4.504   6.230  -0.902
   41   2HD1  LEU   6          HD12      LEU   6   3.646   7.757  -1.168
   42   3HD1  LEU   6          HD13      LEU   6   4.972   7.280  -2.251
   43   1HD2  LEU   6          HD21      LEU   6   7.579   7.574   0.492
   44   2HD2  LEU   6          HD22      LEU   6   6.803   6.174  -0.247
   45   3HD2  LEU   6          HD23      LEU   6   7.484   7.429  -1.279
   46    H    ALA   7           H        ALA   7   5.696  12.568   0.598
   47    HA   ALA   7           HA       ALA   7   6.340  14.049  -1.769
   48   1HB   ALA   7          HB1       ALA   7   4.336  14.511  -0.392
   49   2HB   ALA   7          HB2       ALA   7   5.384  15.011   0.959
   50   3HB   ALA   7          HB3       ALA   7   5.366  15.947  -0.548
   51    H    LEU   8           H        LEU   8   8.031  13.408   1.233
   52    HA   LEU   8           HA       LEU   8   9.778  15.785   1.020
   53   1HB   LEU   8          HB2       LEU   8   9.673  13.533   3.070
   54   2HB   LEU   8          HB3       LEU   8  10.733  14.930   3.148
   55    HG   LEU   8           HG       LEU   8   7.687  15.058   3.251
   56   1HD1  LEU   8          HD11      LEU   8   8.637  14.002   5.254
   57   2HD1  LEU   8          HD12      LEU   8   9.764  15.361   5.461
   58   3HD1  LEU   8          HD13      LEU   8   8.012  15.610   5.631
   59   1HD2  LEU   8          HD21      LEU   8   8.589  17.139   2.328
   60   2HD2  LEU   8          HD22      LEU   8   8.050  17.409   3.985
   61   3HD2  LEU   8          HD23      LEU   8   9.786  17.238   3.641
   62    H    ILE   9           H        ILE   9   9.814  12.279   0.445
   63    HA   ILE   9           HA       ILE   9  12.587  11.887   0.107
   64    HB   ILE   9           HB       ILE   9  10.158  10.634  -1.217
   65   1HG1  ILE   9          HG12      ILE   9  12.119   9.656   0.914
   66   2HG1  ILE   9          HG13      ILE   9  10.500  10.275   1.229
   67   1HG2  ILE   9          HG21      ILE   9  12.010  10.336  -2.801
   68   2HG2  ILE   9          HG22      ILE   9  13.061   9.744  -1.498
   69   3HG2  ILE   9          HG23      ILE   9  11.649   8.810  -2.030
   70   1HD1  ILE   9          HD11      ILE   9   9.643   8.367  -0.267
   71   2HD1  ILE   9          HD12      ILE   9  11.268   7.667  -0.074
   72   3HD1  ILE   9          HD13      ILE   9  10.257   7.960   1.350
   73    HA   PRO  10           HA       PRO  10  13.392  14.716  -3.354
   74   1HB   PRO  10          HB2       PRO  10  15.558  12.677  -3.904
   75   2HB   PRO  10          HB3       PRO  10  15.666  14.464  -3.914
   76   1HG   PRO  10          HG2       PRO  10  16.586  13.046  -1.791
   77   2HG   PRO  10          HG3       PRO  10  15.648  14.552  -1.529
   78   1HD   PRO  10          HD2       PRO  10  14.691  11.687  -1.350
   79   2HD   PRO  10          HD3       PRO  10  14.345  13.074  -0.271
   80    H    ASP  11           H        ASP  11  12.484  14.682  -5.399
   81    HA   ASP  11           HA       ASP  11  11.228  12.143  -6.165
   82   1HB   ASP  11          HB2       ASP  11  10.094  14.415  -5.877
   83   2HB   ASP  11          HB3       ASP  11  10.852  14.882  -7.406
   84    H    VAL  12           H        VAL  12  13.417  14.547  -7.688
   85    HA   VAL  12           HA       VAL  12  14.243  12.520  -9.693
   86    HB   VAL  12           HB       VAL  12  13.516  15.420 -10.308
   87   1HG1  VAL  12          HG11      VAL  12  14.503  13.189 -12.148
   88   2HG1  VAL  12          HG12      VAL  12  13.949  14.795 -12.663
   89   3HG1  VAL  12          HG13      VAL  12  15.406  14.646 -11.686
   90   1HG2  VAL  12          HG21      VAL  12  11.771  14.477 -11.784
   91   2HG2  VAL  12          HG22      VAL  12  12.116  12.848 -11.153
   92   3HG2  VAL  12          HG23      VAL  12  11.455  14.108 -10.093
   93    H    ASP  13           H        ASP  13  16.454  12.556  -9.960
   94    HA   ASP  13           HA       ASP  13  17.994  14.953  -9.542
   95   1HB   ASP  13          HB2       ASP  13  17.972  14.197  -7.198
   96   2HB   ASP  13          HB3       ASP  13  18.458  12.575  -7.690
   97    H    ILE  14           H        ILE  14  19.327  14.845 -11.303
   98    HA   ILE  14           HA       ILE  14  20.361  12.257 -12.215
   99    HB   ILE  14           HB       ILE  14  19.738  12.787 -14.567
  100   1HG1  ILE  14          HG12      ILE  14  17.659  14.721 -13.449
  101   2HG1  ILE  14          HG13      ILE  14  19.186  15.243 -14.176
  102   1HG2  ILE  14          HG21      ILE  14  18.520  11.117 -13.170
  103   2HG2  ILE  14          HG22      ILE  14  17.303  12.351 -12.791
  104   3HG2  ILE  14          HG23      ILE  14  17.534  11.797 -14.463
  105   1HD1  ILE  14          HD11      ILE  14  16.970  13.703 -15.582
  106   2HD1  ILE  14          HD12      ILE  14  17.431  15.393 -15.826
  107   3HD1  ILE  14          HD13      ILE  14  18.550  14.101 -16.300
  108    H    ASP  15           H        ASP  15  22.117  12.496 -13.699
  109    HA   ASP  15           HA       ASP  15  23.581  15.100 -13.508
  110   1HB   ASP  15          HB2       ASP  15  24.698  13.812 -11.974
  111   2HB   ASP  15          HB3       ASP  15  24.367  12.310 -12.813
  112    H    SER  16           H        SER  16  22.873  15.747 -15.449
  113    HA   SER  16           HA       SER  16  22.652  14.231 -17.779
  114   1HB   SER  16          HB2       SER  16  22.720  17.247 -17.452
  115   2HB   SER  16          HB3       SER  16  21.924  16.323 -18.741
  116    HG   SER  16           HG       SER  16  20.492  17.004 -17.049
  117    H    ASP  17           H        ASP  17  25.162  13.559 -17.294
  118    HA   ASP  17           HA       ASP  17  27.311  15.167 -18.024
  119   1HB   ASP  17          HB2       ASP  17  27.686  13.044 -16.993
  120   2HB   ASP  17          HB3       ASP  17  26.869  12.179 -18.298
  121    H    GLY  18           H        GLY  18  25.353  13.107 -20.217
  122   1HA   GLY  18          HA2       GLY  18  25.266  14.463 -22.516
  123   2HA   GLY  18          HA3       GLY  18  26.952  13.912 -22.560
  124    H    VAL  19           H        VAL  19  26.665  11.373 -21.329
  125    HA   VAL  19           HA       VAL  19  24.496   9.867 -22.592
  126    HB   VAL  19           HB       VAL  19  27.431   9.133 -23.050
  127   1HG1  VAL  19          HG11      VAL  19  26.014   7.138 -22.707
  128   2HG1  VAL  19          HG12      VAL  19  24.884   7.713 -23.952
  129   3HG1  VAL  19          HG13      VAL  19  26.542   7.251 -24.386
  130   1HG2  VAL  19          HG21      VAL  19  25.356  10.007 -25.095
  131   2HG2  VAL  19          HG22      VAL  19  26.844  10.874 -24.652
  132   3HG2  VAL  19          HG23      VAL  19  26.950   9.322 -25.476
  133    H    PHE  20           H        PHE  20  23.725   8.674 -20.824
  134    HA   PHE  20           HA       PHE  20  25.526   7.310 -19.002
  135   1HB   PHE  20          HB2       PHE  20  24.786   8.425 -16.974
  136   2HB   PHE  20          HB3       PHE  20  25.603   9.565 -18.014
  137    HD1  PHE  20           HD1      PHE  20  22.660   8.956 -16.088
  138    HD2  PHE  20           HD2      PHE  20  24.082  11.120 -19.527
  139    HE1  PHE  20           HE1      PHE  20  20.758  10.538 -15.880
  140    HE2  PHE  20           HE2      PHE  20  22.152  12.656 -19.358
  141    HZ   PHE  20           HZ       PHE  20  20.512  12.404 -17.500
  142    H    LYS  21           H        LYS  21  24.095   6.097 -17.281
  143    HA   LYS  21           HA       LYS  21  21.576   5.267 -18.651
  144   1HB   LYS  21          HB2       LYS  21  23.265   3.758 -16.609
  145   2HB   LYS  21          HB3       LYS  21  21.664   3.283 -17.162
  146   1HG   LYS  21          HG2       LYS  21  22.969   1.959 -18.455
  147   2HG   LYS  21          HG3       LYS  21  22.604   3.285 -19.559
  148   1HD   LYS  21          HD2       LYS  21  24.863   4.228 -19.194
  149   2HD   LYS  21          HD3       LYS  21  25.165   3.026 -17.921
  150   1HE   LYS  21          HE2       LYS  21  24.724   1.230 -19.709
  151   2HE   LYS  21          HE3       LYS  21  24.785   2.527 -20.908
  152   1HZ   LYS  21          HZ1       LYS  21  26.925   1.454 -20.670
  153   2HZ   LYS  21          HZ2       LYS  21  27.071   2.986 -20.124
  154   3HZ   LYS  21          HZ3       LYS  21  26.959   1.729 -19.059
  155    H    TYR  22           H        TYR  22  19.750   4.704 -17.236
  156    HA   TYR  22           HA       TYR  22  19.634   6.161 -14.693
  157   1HB   TYR  22          HB2       TYR  22  18.390   7.877 -15.391
  158   2HB   TYR  22          HB3       TYR  22  18.840   7.462 -17.024
  159    HD1  TYR  22           HD1      TYR  22  17.333   5.707 -18.246
  160    HD2  TYR  22           HD2      TYR  22  16.156   7.806 -14.668
  161    HE1  TYR  22           HE1      TYR  22  15.012   4.911 -18.542
  162    HE2  TYR  22           HE2      TYR  22  13.818   7.056 -14.987
  163    HH   TYR  22           HH       TYR  22  12.376   5.796 -16.267
  164    H    VAL  23           H        VAL  23  17.410   5.690 -13.649
  165    HA   VAL  23           HA       VAL  23  16.137   3.220 -14.564
  166    HB   VAL  23           HB       VAL  23  18.118   2.586 -13.140
  167   1HG1  VAL  23          HG11      VAL  23  16.544   3.848 -10.860
  168   2HG1  VAL  23          HG12      VAL  23  18.008   2.860 -10.707
  169   3HG1  VAL  23          HG13      VAL  23  18.070   4.440 -11.515
  170   1HG2  VAL  23          HG21      VAL  23  16.977   0.910 -11.817
  171   2HG2  VAL  23          HG22      VAL  23  15.425   1.747 -12.024
  172   3HG2  VAL  23          HG23      VAL  23  16.264   1.046 -13.425
  173    H    LEU  24           H        LEU  24  14.066   2.887 -13.522
  174    HA   LEU  24           HA       LEU  24  12.899   5.329 -12.265
  175   1HB   LEU  24          HB2       LEU  24  12.135   4.881 -14.610
  176   2HB   LEU  24          HB3       LEU  24  11.623   3.273 -14.123
  177    HG   LEU  24           HG       LEU  24   9.962   4.382 -12.520
  178   1HD1  LEU  24          HD11      LEU  24  11.044   6.601 -12.313
  179   2HD1  LEU  24          HD12      LEU  24  10.797   6.889 -14.052
  180   3HD1  LEU  24          HD13      LEU  24   9.412   6.755 -12.954
  181   1HD2  LEU  24          HD21      LEU  24   9.311   3.521 -14.743
  182   2HD2  LEU  24          HD22      LEU  24   8.379   4.947 -14.279
  183   3HD2  LEU  24          HD23      LEU  24   9.692   5.106 -15.468
  184    H    ILE  25           H        ILE  25  12.512   4.799 -10.085
  185    HA   ILE  25           HA       ILE  25  11.852   1.951  -9.564
  186    HB   ILE  25           HB       ILE  25  13.375   1.592  -8.143
  187   1HG1  ILE  25          HG12      ILE  25  13.405   4.329  -6.875
  188   2HG1  ILE  25          HG13      ILE  25  12.319   3.028  -6.387
  189   1HG2  ILE  25          HG21      ILE  25  14.808   4.134  -8.961
  190   2HG2  ILE  25          HG22      ILE  25  15.551   2.650  -8.346
  191   3HG2  ILE  25          HG23      ILE  25  14.759   2.624  -9.916
  192   1HD1  ILE  25          HD11      ILE  25  14.268   1.577  -5.897
  193   2HD1  ILE  25          HD12      ILE  25  15.338   2.977  -6.180
  194   3HD1  ILE  25          HD13      ILE  25  14.148   3.024  -4.874
  195    H    ARG  26           H        ARG  26  10.186   1.469  -8.381
  196    HA   ARG  26           HA       ARG  26   8.356   3.611  -7.522
  197   1HB   ARG  26          HB2       ARG  26   7.502   1.570  -8.607
  198   2HB   ARG  26          HB3       ARG  26   8.186   0.561  -7.337
  199   1HG   ARG  26          HG2       ARG  26   6.662   1.333  -5.704
  200   2HG   ARG  26          HG3       ARG  26   6.257   2.795  -6.611
  201   1HD   ARG  26          HD2       ARG  26   5.538   0.001  -7.579
  202   2HD   ARG  26          HD3       ARG  26   4.463   1.007  -6.581
  203    HE   ARG  26           HE       ARG  26   5.163   2.708  -8.593
  204   1HH1  ARG  26          HH21      ARG  26   3.627  -0.503  -8.604
  205   2HH1  ARG  26          HH22      ARG  26   2.777  -0.236 -10.079
  206   1HH2  ARG  26          HH11      ARG  26   4.090   3.065 -10.531
  207   2HH2  ARG  26          HH12      ARG  26   3.028   1.860 -11.199
  208    H    VAL  27           H        VAL  27   7.999   4.059  -5.347
  209    HA   VAL  27           HA       VAL  27   9.656   2.719  -3.262
  210    HB   VAL  27           HB       VAL  27   9.052   5.690  -3.580
  211   1HG1  VAL  27          HG11      VAL  27  10.939   4.346  -1.629
  212   2HG1  VAL  27          HG12      VAL  27  10.602   6.082  -1.771
  213   3HG1  VAL  27          HG13      VAL  27   9.327   4.984  -1.230
  214   1HG2  VAL  27          HG21      VAL  27  10.646   5.145  -5.311
  215   2HG2  VAL  27          HG22      VAL  27  11.423   6.077  -4.040
  216   3HG2  VAL  27          HG23      VAL  27  11.694   4.318  -4.134
  217    H    HIS  28           H        HIS  28   8.188   1.826  -1.845
  218    HA   HIS  28           HA       HIS  28   5.401   2.826  -1.721
  219   1HB   HIS  28          HB2       HIS  28   6.778   0.544  -0.253
  220   2HB   HIS  28          HB3       HIS  28   5.047   0.879  -0.290
  221    HD1  HIS  28           HD1      HIS  28   4.192   0.956  -3.189
  222    HD2  HIS  28           HD2      HIS  28   7.436  -1.378  -1.854
  223    HE1  HIS  28           HE1      HIS  28   4.514  -0.881  -4.911
  224    H    SER  29           H        SER  29   4.524   3.774   0.229
  225    HA   SER  29           HA       SER  29   6.391   5.258   1.824
  226   1HB   SER  29          HB2       SER  29   4.352   5.905   3.122
  227   2HB   SER  29          HB3       SER  29   4.285   6.234   1.393
  228    HG   SER  29           HG       SER  29   2.975   4.222   2.835
  229    H    ALA  30           H        ALA  30   7.774   4.009   3.070
  230    HA   ALA  30           HA       ALA  30   6.517   2.876   5.449
  231   1HB   ALA  30          HB1       ALA  30   7.740   0.781   5.415
  232   2HB   ALA  30          HB2       ALA  30   6.777   0.921   3.942
  233   3HB   ALA  30          HB3       ALA  30   8.527   1.206   3.889
  234    HA   PRO  31           HA       PRO  31  10.860   5.083   6.026
  235   1HB   PRO  31          HB2       PRO  31   8.932   7.251   6.896
  236   2HB   PRO  31          HB3       PRO  31  10.680   7.395   6.496
  237   1HG   PRO  31          HG2       PRO  31   8.847   7.961   4.589
  238   2HG   PRO  31          HG3       PRO  31  10.239   6.915   4.173
  239   1HD   PRO  31          HD2       PRO  31   7.405   6.110   4.845
  240   2HD   PRO  31          HD3       PRO  31   8.497   5.515   3.560
  241    H    ARG  32           H        ARG  32  11.772   4.773   7.950
  242    HA   ARG  32           HA       ARG  32  12.094   3.573   9.814
  243   1HB   ARG  32          HB2       ARG  32  10.072   5.461  11.054
  244   2HB   ARG  32          HB3       ARG  32  11.418   4.640  11.849
  245   1HG   ARG  32          HG2       ARG  32  12.992   5.956  10.311
  246   2HG   ARG  32          HG3       ARG  32  11.565   6.895   9.824
  247   1HD   ARG  32          HD2       ARG  32  11.202   7.212  12.395
  248   2HD   ARG  32          HD3       ARG  32  12.891   6.722  12.550
  249    HE   ARG  32           HE       ARG  32  13.344   8.591  10.841
  250   1HH1  ARG  32          HH21      ARG  32  10.894   8.825  13.399
  251   2HH1  ARG  32          HH22      ARG  32  10.744  10.543  13.303
  252   1HH2  ARG  32          HH11      ARG  32  13.080  10.874  10.649
  253   2HH2  ARG  32          HH12      ARG  32  11.787  11.659  11.492
  254    H    SER  33           H        SER  33   9.875   2.405   8.165
  255    HA   SER  33           HA       SER  33   8.229   0.922   8.233
  256   1HB   SER  33          HB2       SER  33   9.447  -0.011  10.857
  257   2HB   SER  33          HB3       SER  33   8.460  -0.959   9.733
  258    HG   SER  33           HG       SER  33  10.708  -1.345   9.478
  259    H    GLY  34           H        GLY  34   7.596   3.538   9.319
  260   1HA   GLY  34          HA2       GLY  34   5.234   2.871  11.001
  261   2HA   GLY  34          HA3       GLY  34   6.435   4.038  11.582
  262    H    ALA  35           H        ALA  35   5.612   3.740   8.151
  263    HA   ALA  35           HA       ALA  35   4.832   6.497   7.901
  264   1HB   ALA  35          HB1       ALA  35   4.406   4.135   6.015
  265   2HB   ALA  35          HB2       ALA  35   4.276   5.850   5.582
  266   3HB   ALA  35          HB3       ALA  35   5.845   5.186   6.068
  267    HA   PRO  36           HA       PRO  36   0.563   6.062   9.014
  268   1HB   PRO  36          HB2       PRO  36  -0.646   8.160   7.752
  269   2HB   PRO  36          HB3       PRO  36   0.564   8.380   9.052
  270   1HG   PRO  36          HG2       PRO  36   1.029   8.448   6.049
  271   2HG   PRO  36          HG3       PRO  36   1.539   9.659   7.274
  272   1HD   PRO  36          HD2       PRO  36   3.228   7.717   6.393
  273   2HD   PRO  36          HD3       PRO  36   3.235   8.241   8.103
  274    H    ALA  37           H        ALA  37   1.489   5.392   5.765
  275    HA   ALA  37           HA       ALA  37  -1.065   4.119   5.103
  276   1HB   ALA  37          HB1       ALA  37  -1.349   6.524   4.447
  277   2HB   ALA  37          HB2       ALA  37   0.106   6.399   3.432
  278   3HB   ALA  37          HB3       ALA  37  -1.343   5.445   3.043
  279    H    ALA  38           H        ALA  38  -0.755   3.333   2.665
  280    HA   ALA  38           HA       ALA  38   2.013   2.392   2.155
  281   1HB   ALA  38          HB1       ALA  38   1.154   0.172   1.590
  282   2HB   ALA  38          HB2       ALA  38   0.796   0.560   3.283
  283   3HB   ALA  38          HB3       ALA  38  -0.492   0.661   2.058
  284    H    GLU  39           H        GLU  39   1.307   4.574   1.048
  285    HA   GLU  39           HA       GLU  39   0.091   4.175  -1.609
  286   1HB   GLU  39          HB2       GLU  39   1.369   6.600  -0.250
  287   2HB   GLU  39          HB3       GLU  39   0.712   6.595  -1.893
  288   1HG   GLU  39          HG2       GLU  39  -1.522   5.934  -0.967
  289   2HG   GLU  39          HG3       GLU  39  -0.871   6.110   0.663
  290    H    SER  40           H        SER  40   1.677   5.317  -3.381
  291    HA   SER  40           HA       SER  40   4.466   4.522  -2.946
  292   1HB   SER  40          HB2       SER  40   3.006   3.634  -5.450
  293   2HB   SER  40          HB3       SER  40   4.635   3.202  -4.919
  294    HG   SER  40           HG       SER  40   2.157   2.418  -3.770
  295    H    LYS  41           H        LYS  41   5.902   5.408  -4.559
  296    HA   LYS  41           HA       LYS  41   4.846   7.459  -6.406
  297   1HB   LYS  41          HB2       LYS  41   6.569   9.059  -5.791
  298   2HB   LYS  41          HB3       LYS  41   5.608   8.704  -4.352
  299   1HG   LYS  41          HG2       LYS  41   7.354   7.158  -3.545
  300   2HG   LYS  41          HG3       LYS  41   8.314   7.427  -4.997
  301   1HD   LYS  41          HD2       LYS  41   7.852   9.420  -2.775
  302   2HD   LYS  41          HD3       LYS  41   9.309   8.541  -3.190
  303   1HE   LYS  41          HE2       LYS  41   9.880  10.435  -4.234
  304   2HE   LYS  41          HE3       LYS  41   8.964   9.717  -5.558
  305   1HZ   LYS  41          HZ1       LYS  41   8.286  11.949  -5.293
  306   2HZ   LYS  41          HZ2       LYS  41   7.031  11.069  -4.743
  307   3HZ   LYS  41          HZ3       LYS  41   8.024  11.790  -3.653
  308    H    GLU  42           H        GLU  42   6.532   7.911  -8.111
  309    HA   GLU  42           HA       GLU  42   8.551   5.729  -8.389
  310   1HB   GLU  42          HB2       GLU  42   6.857   7.223 -10.417
  311   2HB   GLU  42          HB3       GLU  42   8.509   6.788 -10.827
  312   1HG   GLU  42          HG2       GLU  42   7.237   5.054 -11.684
  313   2HG   GLU  42          HG3       GLU  42   8.013   4.398 -10.250
  314    H    ILE  43           H        ILE  43  10.669   6.438  -8.418
  315    HA   ILE  43           HA       ILE  43  11.144   9.376  -8.674
  316    HB   ILE  43           HB       ILE  43  13.147   9.099  -7.319
  317   1HG1  ILE  43          HG12      ILE  43  12.168   6.311  -6.634
  318   2HG1  ILE  43          HG13      ILE  43  13.545   6.664  -7.676
  319   1HG2  ILE  43          HG21      ILE  43  10.679   8.167  -5.816
  320   2HG2  ILE  43          HG22      ILE  43  12.025   9.148  -5.182
  321   3HG2  ILE  43          HG23      ILE  43  10.948   9.830  -6.403
  322   1HD1  ILE  43          HD11      ILE  43  13.368   7.405  -4.722
  323   2HD1  ILE  43          HD12      ILE  43  14.282   6.072  -5.425
  324   3HD1  ILE  43          HD13      ILE  43  14.733   7.745  -5.810
  325    H    VAL  44           H        VAL  44  13.050   9.989  -9.709
  326    HA   VAL  44           HA       VAL  44  13.916   8.075 -11.843
  327    HB   VAL  44           HB       VAL  44  13.509  11.099 -11.905
  328   1HG1  VAL  44          HG11      VAL  44  15.269  10.384 -13.488
  329   2HG1  VAL  44          HG12      VAL  44  14.154   9.184 -14.183
  330   3HG1  VAL  44          HG13      VAL  44  13.814  10.913 -14.335
  331   1HG2  VAL  44          HG21      VAL  44  11.808   8.929 -13.193
  332   2HG2  VAL  44          HG22      VAL  44  11.319   9.960 -11.828
  333   3HG2  VAL  44          HG23      VAL  44  11.618  10.682 -13.406
  334    H    ARG  45           H        ARG  45  16.079   7.643 -11.797
  335    HA   ARG  45           HA       ARG  45  17.971   9.659 -10.721
  336   1HB   ARG  45          HB2       ARG  45  17.854   6.701  -9.936
  337   2HB   ARG  45          HB3       ARG  45  19.223   7.750  -9.607
  338   1HG   ARG  45          HG2       ARG  45  16.424   8.053  -8.465
  339   2HG   ARG  45          HG3       ARG  45  17.825   7.448  -7.618
  340   1HD   ARG  45          HD2       ARG  45  18.468   9.472  -6.980
  341   2HD   ARG  45          HD3       ARG  45  18.554  10.021  -8.646
  342    HE   ARG  45           HE       ARG  45  16.305  10.687  -8.615
  343   1HH1  ARG  45          HH21      ARG  45  17.436   9.793  -5.357
  344   2HH1  ARG  45          HH22      ARG  45  15.968  10.250  -4.575
  345   1HH2  ARG  45          HH11      ARG  45  14.351  11.257  -7.572
  346   2HH2  ARG  45          HH12      ARG  45  14.203  11.142  -5.857
  347    H    GLY  46           H        GLY  46  20.022   9.552 -11.745
  348   1HA   GLY  46          HA2       GLY  46  20.965   7.356 -13.230
  349   2HA   GLY  46          HA3       GLY  46  20.206   8.491 -14.362
  350    H    TYR  47           H        TYR  47  23.140   7.695 -13.567
  351    HA   TYR  47           HA       TYR  47  24.216  10.425 -13.596
  352   1HB   TYR  47          HB2       TYR  47  25.104   8.433 -11.473
  353   2HB   TYR  47          HB3       TYR  47  25.607  10.103 -11.634
  354    HD1  TYR  47           HD1      TYR  47  24.320  11.891 -10.574
  355    HD2  TYR  47           HD2      TYR  47  22.899   7.830 -10.572
  356    HE1  TYR  47           HE1      TYR  47  22.650  12.493  -8.864
  357    HE2  TYR  47           HE2      TYR  47  21.241   8.406  -8.816
  358    HH   TYR  47           HH       TYR  47  20.946  11.744  -7.500
  359    H    LYS  48           H        LYS  48  26.509  10.454 -14.149
  360    HA   LYS  48           HA       LYS  48  27.216   8.458 -16.025
  361   1HB   LYS  48          HB2       LYS  48  28.071  10.868 -15.825
  362   2HB   LYS  48          HB3       LYS  48  29.124  10.313 -14.527
  363   1HG   LYS  48          HG2       LYS  48  30.376  10.442 -16.575
  364   2HG   LYS  48          HG3       LYS  48  30.231   8.734 -16.150
  365   1HD   LYS  48          HD2       LYS  48  28.472   8.418 -17.842
  366   2HD   LYS  48          HD3       LYS  48  28.382  10.164 -18.103
  367   1HE   LYS  48          HE2       LYS  48  30.953   9.909 -18.707
  368   2HE   LYS  48          HE3       LYS  48  30.533   8.202 -18.936
  369   1HZ   LYS  48          HZ1       LYS  48  28.734   9.059 -20.456
  370   2HZ   LYS  48          HZ2       LYS  48  29.365  10.555 -20.297
  371   3HZ   LYS  48          HZ3       LYS  48  30.267   9.368 -21.006
  372    H    TRP  49           H        TRP  49  27.970   8.701 -12.529
  373    HA   TRP  49           HA       TRP  49  29.967   6.680 -12.566
  374   1HB   TRP  49          HB2       TRP  49  29.563   6.547 -10.103
  375   2HB   TRP  49          HB3       TRP  49  30.017   8.103 -10.751
  376    HD1  TRP  49           HD1      TRP  49  28.704  10.091  -9.950
  377    HE1  TRP  49           HE1      TRP  49  26.588  10.507  -8.594
  378    HE3  TRP  49           HE3      TRP  49  26.900   5.291  -9.761
  379    HZ2  TRP  49           HZ2      TRP  49  24.374   8.948  -7.535
  380    HZ3  TRP  49           HZ3      TRP  49  24.736   4.821  -8.703
  381    HH2  TRP  49           HH2      TRP  49  23.447   6.637  -7.582
  382    H    ALA  50           H        ALA  50  26.421   6.352 -12.639
  383    HA   ALA  50           HA       ALA  50  26.628   3.479 -12.063
  384   1HB   ALA  50          HB1       ALA  50  24.257   3.421 -12.585
  385   2HB   ALA  50          HB2       ALA  50  24.647   4.559 -11.290
  386   3HB   ALA  50          HB3       ALA  50  24.266   5.174 -12.929
  387    H    GLU  51           H        GLU  51  28.287   3.169 -13.664
  388    HA   GLU  51           HA       GLU  51  27.894   3.478 -16.457
  389   1HB   GLU  51          HB2       GLU  51  29.508   1.405 -14.900
  390   2HB   GLU  51          HB3       GLU  51  29.633   1.681 -16.643
  391   1HG   GLU  51          HG2       GLU  51  30.291   4.050 -16.193
  392   2HG   GLU  51          HG3       GLU  51  30.268   3.703 -14.460
  393    H    TYR  52           H        TYR  52  26.213   1.433 -14.277
  394    HA   TYR  52           HA       TYR  52  24.863   0.060 -16.471
  395   1HB   TYR  52          HB2       TYR  52  24.840  -2.009 -14.846
  396   2HB   TYR  52          HB3       TYR  52  26.098  -1.778 -16.043
  397    HD1  TYR  52           HD1      TYR  52  28.313  -0.814 -15.375
  398    HD2  TYR  52           HD2      TYR  52  25.415  -2.147 -12.495
  399    HE1  TYR  52           HE1      TYR  52  30.115  -0.995 -13.665
  400    HE2  TYR  52           HE2      TYR  52  27.187  -2.332 -10.769
  401    HH   TYR  52           HH       TYR  52  30.629  -1.540 -11.456
  402    H    HIS  53           H        HIS  53  22.685  -0.254 -15.968
  403    HA   HIS  53           HA       HIS  53  21.430   1.527 -14.189
  404   1HB   HIS  53          HB2       HIS  53  19.379   0.083 -14.727
  405   2HB   HIS  53          HB3       HIS  53  20.225   0.822 -16.078
  406    HD1  HIS  53           HD1      HIS  53  20.157  -2.717 -14.382
  407    HD2  HIS  53           HD2      HIS  53  20.973  -0.736 -18.009
  408    HE1  HIS  53           HE1      HIS  53  20.839  -4.510 -16.049
  409    H    ALA  54           H        ALA  54  22.482  -1.827 -13.618
  410    HA   ALA  54           HA       ALA  54  20.873  -2.270 -11.300
  411   1HB   ALA  54          HB1       ALA  54  22.462  -4.076 -10.796
  412   2HB   ALA  54          HB2       ALA  54  22.000  -4.101 -12.507
  413   3HB   ALA  54          HB3       ALA  54  23.589  -3.460 -12.018
  414    H    ASP  55           H        ASP  55  23.839  -0.374 -11.774
  415    HA   ASP  55           HA       ASP  55  24.710  -0.432  -9.047
  416   1HB   ASP  55          HB2       ASP  55  26.031   0.392 -11.122
  417   2HB   ASP  55          HB3       ASP  55  25.120   1.873 -10.983
  418    H    ILE  56           H        ILE  56  22.634   1.854 -10.892
  419    HA   ILE  56           HA       ILE  56  22.159   3.524  -8.590
  420    HB   ILE  56           HB       ILE  56  20.035   4.126 -10.165
  421   1HG1  ILE  56          HG12      ILE  56  22.066   3.015 -12.114
  422   2HG1  ILE  56          HG13      ILE  56  20.320   2.739 -11.994
  423   1HG2  ILE  56          HG21      ILE  56  22.793   5.309 -10.406
  424   2HG2  ILE  56          HG22      ILE  56  21.241   6.100 -10.774
  425   3HG2  ILE  56          HG23      ILE  56  21.604   5.625  -9.125
  426   1HD1  ILE  56          HD11      ILE  56  21.779   5.222 -12.960
  427   2HD1  ILE  56          HD12      ILE  56  20.803   4.092 -13.908
  428   3HD1  ILE  56          HD13      ILE  56  20.012   5.137 -12.703
  429    H    TYR  57           H        TYR  57  20.305   0.734 -10.052
  430    HA   TYR  57           HA       TYR  57  18.097   1.143  -8.293
  431   1HB   TYR  57          HB2       TYR  57  17.852  -0.453 -10.091
  432   2HB   TYR  57          HB3       TYR  57  19.171  -1.443  -9.465
  433    HD1  TYR  57           HD1      TYR  57  16.041   0.127  -7.977
  434    HD2  TYR  57           HD2      TYR  57  18.451  -3.425  -8.437
  435    HE1  TYR  57           HE1      TYR  57  14.526  -1.086  -6.456
  436    HE2  TYR  57           HE2      TYR  57  16.919  -4.659  -6.936
  437    HH   TYR  57           HH       TYR  57  14.087  -3.121  -5.347
  438    H    ASP  58           H        ASP  58  21.134  -0.809  -7.799
  439    HA   ASP  58           HA       ASP  58  20.431  -1.715  -5.214
  440   1HB   ASP  58          HB2       ASP  58  22.237  -2.718  -6.499
  441   2HB   ASP  58          HB3       ASP  58  23.162  -1.212  -6.448
  442    H    LYS  59           H        LYS  59  22.374   1.169  -6.187
  443    HA   LYS  59           HA       LYS  59  22.947   2.082  -3.558
  444   1HB   LYS  59          HB2       LYS  59  24.162   2.823  -5.471
  445   2HB   LYS  59          HB3       LYS  59  22.727   3.513  -6.232
  446   1HG   LYS  59          HG2       LYS  59  22.735   5.407  -4.948
  447   2HG   LYS  59          HG3       LYS  59  23.420   4.598  -3.518
  448   1HD   LYS  59          HD2       LYS  59  25.618   4.539  -4.465
  449   2HD   LYS  59          HD3       LYS  59  25.031   5.092  -6.039
  450   1HE   LYS  59          HE2       LYS  59  24.296   7.248  -4.960
  451   2HE   LYS  59          HE3       LYS  59  25.021   6.698  -3.444
  452   1HZ   LYS  59          HZ1       LYS  59  27.169   6.636  -4.585
  453   2HZ   LYS  59          HZ2       LYS  59  26.484   7.146  -5.985
  454   3HZ   LYS  59          HZ3       LYS  59  26.523   8.127  -4.680
  455    H    VAL  60           H        VAL  60  20.250   2.980  -5.785
  456    HA   VAL  60           HA       VAL  60  19.252   4.935  -3.937
  457    HB   VAL  60           HB       VAL  60  18.009   3.764  -6.437
  458   1HG1  VAL  60          HG11      VAL  60  16.571   5.772  -6.375
  459   2HG1  VAL  60          HG12      VAL  60  16.337   4.827  -4.891
  460   3HG1  VAL  60          HG13      VAL  60  17.321   6.282  -4.836
  461   1HG2  VAL  60          HG21      VAL  60  18.937   5.605  -7.602
  462   2HG2  VAL  60          HG22      VAL  60  19.395   6.462  -6.097
  463   3HG2  VAL  60          HG23      VAL  60  20.281   5.041  -6.641
  464    H    SER  61           H        SER  61  18.161   1.544  -4.774
  465    HA   SER  61           HA       SER  61  15.964   1.678  -2.939
  466   1HB   SER  61          HB2       SER  61  15.948  -0.770  -3.033
  467   2HB   SER  61          HB3       SER  61  16.024  -0.040  -4.642
  468    HG   SER  61           HG       SER  61  18.143  -0.558  -4.803
  469    H    GLY  62           H        GLY  62  19.447   1.018  -2.486
  470   1HA   GLY  62          HA2       GLY  62  19.406   0.159   0.201
  471   2HA   GLY  62          HA3       GLY  62  20.703   1.069  -0.598
  472    H    ASP  63           H        ASP  63  19.693   3.566  -1.109
  473    HA   ASP  63           HA       ASP  63  19.573   4.709   1.500
  474   1HB   ASP  63          HB2       ASP  63  20.501   5.942  -0.400
  475   2HB   ASP  63          HB3       ASP  63  18.896   6.032  -1.129
  476    H    MET  64           H        MET  64  16.934   4.207  -0.972
  477    HA   MET  64           HA       MET  64  14.882   5.339   0.622
  478   1HB   MET  64          HB2       MET  64  14.754   2.906  -1.203
  479   2HB   MET  64          HB3       MET  64  13.371   3.817  -0.612
  480   1HG   MET  64          HG2       MET  64  15.458   4.978  -2.464
  481   2HG   MET  64          HG3       MET  64  13.869   4.387  -2.912
  482   1HE   MET  64          HE1       MET  64  15.721   7.015  -0.580
  483   2HE   MET  64          HE2       MET  64  15.892   7.373  -2.320
  484   3HE   MET  64          HE3       MET  64  14.968   8.467  -1.268
  485    H    GLN  65           H        GLN  65  16.191   1.949   0.782
  486    HA   GLN  65           HA       GLN  65  14.411   1.187   2.882
  487   1HB   GLN  65          HB2       GLN  65  17.024   0.146   1.756
  488   2HB   GLN  65          HB3       GLN  65  16.319  -0.608   3.189
  489   1HG   GLN  65          HG2       GLN  65  14.320  -1.231   2.013
  490   2HG   GLN  65          HG3       GLN  65  14.781  -0.296   0.583
  491   1HE2  GLN  65          HE21      GLN  65  16.910  -0.958  -0.442
  492   2HE2  GLN  65          HE22      GLN  65  17.267  -2.680  -0.538
  493    H    LYS  66           H        LYS  66  17.585   2.851   2.922
  494    HA   LYS  66           HA       LYS  66  18.075   2.632   5.732
  495   1HB   LYS  66          HB2       LYS  66  19.698   3.378   3.974
  496   2HB   LYS  66          HB3       LYS  66  18.739   4.834   3.753
  497   1HG   LYS  66          HG2       LYS  66  19.228   5.221   6.320
  498   2HG   LYS  66          HG3       LYS  66  20.592   4.141   5.992
  499   1HD   LYS  66          HD2       LYS  66  19.860   6.715   4.526
  500   2HD   LYS  66          HD3       LYS  66  21.200   6.521   5.668
  501   1HE   LYS  66          HE2       LYS  66  22.339   4.983   4.111
  502   2HE   LYS  66          HE3       LYS  66  20.967   5.061   2.985
  503   1HZ   LYS  66          HZ1       LYS  66  21.386   7.312   2.553
  504   2HZ   LYS  66          HZ2       LYS  66  22.555   7.437   3.719
  505   3HZ   LYS  66          HZ3       LYS  66  22.816   6.537   2.382
  506    H    GLN  67           H        GLN  67  16.180   5.005   3.738
  507    HA   GLN  67           HA       GLN  67  15.216   6.493   6.010
  508   1HB   GLN  67          HB2       GLN  67  13.921   6.174   3.268
  509   2HB   GLN  67          HB3       GLN  67  13.541   7.386   4.495
  510   1HG   GLN  67          HG2       GLN  67  15.985   8.153   4.347
  511   2HG   GLN  67          HG3       GLN  67  16.154   7.070   2.968
  512   1HE2  GLN  67          HE22      GLN  67  16.481   8.495   1.253
  513   2HE2  GLN  67          HE21      GLN  67  15.345   9.776   0.872
  514    H    GLY  68           H        GLY  68  14.047   3.609   4.335
  515   1HA   GLY  68          HA2       GLY  68  13.333   1.946   6.158
  516   2HA   GLY  68          HA3       GLY  68  12.024   3.083   6.470
  517    H    CYS  69           H        CYS  69  12.489   3.325   3.213
  518    HA   CYS  69           HA       CYS  69   9.882   2.302   2.672
  519   1HB   CYS  69          HB2       CYS  69  12.136   3.267   0.900
  520   2HB   CYS  69          HB3       CYS  69  10.472   3.042   0.353
  521    HG   CYS  69           HG       CYS  69  10.941   5.592   0.677
  522    H    ASP  70           H        ASP  70   9.513   0.948   0.634
  523    HA   ASP  70           HA       ASP  70  11.491  -1.236   0.239
  524   1HB   ASP  70          HB2       ASP  70   9.648  -2.208   1.539
  525   2HB   ASP  70          HB3       ASP  70   8.463  -1.523   0.419
  526    H    CYS  71           H        CYS  71  11.815  -1.608  -2.005
  527    HA   CYS  71           HA       CYS  71  10.314   0.154  -3.855
  528   1HB   CYS  71          HB2       CYS  71  13.356   0.126  -3.568
  529   2HB   CYS  71          HB3       CYS  71  12.397   1.128  -4.669
  530    HG   CYS  71           HG       CYS  71  12.377   1.107  -1.374
  531    H    GLU  72           H        GLU  72  10.954  -0.160  -6.162
  532    HA   GLU  72           HA       GLU  72  12.377  -2.621  -6.875
  533   1HB   GLU  72          HB2       GLU  72  10.150  -3.487  -6.413
  534   2HB   GLU  72          HB3       GLU  72   9.386  -2.183  -7.334
  535   1HG   GLU  72          HG2       GLU  72  10.293  -3.006  -9.406
  536   2HG   GLU  72          HG3       GLU  72  11.320  -4.175  -8.567
  537    H    CYS  73           H        CYS  73  13.448  -2.187  -8.809
  538    HA   CYS  73           HA       CYS  73  13.024   0.298 -10.264
  539   1HB   CYS  73          HB2       CYS  73  14.598  -0.870 -11.916
  540   2HB   CYS  73          HB3       CYS  73  15.261  -0.492 -10.331
  541    HG   CYS  73           HG       CYS  73  13.876  -3.333 -11.279
  542    H    LEU  74           H        LEU  74  11.173   0.540 -11.416
  543    HA   LEU  74           HA       LEU  74   9.522  -1.680 -12.300
  544   1HB   LEU  74          HB2       LEU  74   9.543   1.266 -13.100
  545   2HB   LEU  74          HB3       LEU  74   8.306   0.098 -13.550
  546    HG   LEU  74           HG       LEU  74   8.921   1.078 -10.732
  547   1HD1  LEU  74          HD11      LEU  74   6.694   2.086 -10.881
  548   2HD1  LEU  74          HD12      LEU  74   7.720   2.667 -12.204
  549   3HD1  LEU  74          HD13      LEU  74   6.476   1.440 -12.520
  550   1HD2  LEU  74          HD21      LEU  74   8.219  -1.242 -10.520
  551   2HD2  LEU  74          HD22      LEU  74   6.858  -0.214 -10.076
  552   3HD2  LEU  74          HD23      LEU  74   6.882  -0.993 -11.670
  553    H    GLY  75           H        GLY  75  12.165   0.215 -13.632
  554   1HA   GLY  75          HA2       GLY  75  13.082  -1.648 -15.439
  555   2HA   GLY  75          HA3       GLY  75  12.009  -0.581 -16.368
  556    H    GLY  76           H        GLY  76  14.232  -0.043 -17.372
  557   1HA   GLY  76          HA2       GLY  76  14.795   2.620 -16.498
  558   2HA   GLY  76          HA3       GLY  76  16.184   1.568 -16.184
  559    H    GLY  77           H        GLY  77  17.267   2.921 -17.816
  560   1HA   GLY  77          HA2       GLY  77  17.283   1.927 -20.474
  561   2HA   GLY  77          HA3       GLY  77  16.279   3.387 -20.397
  562    H    ARG  78           H        ARG  78  17.868   4.450 -21.726
  563    HA   ARG  78           HA       ARG  78  20.314   5.298 -20.270
  564   1HB   ARG  78          HB2       ARG  78  20.794   3.526 -21.924
  565   2HB   ARG  78          HB3       ARG  78  20.127   4.543 -23.216
  566   1HG   ARG  78          HG2       ARG  78  21.951   6.131 -22.975
  567   2HG   ARG  78          HG3       ARG  78  22.452   5.387 -21.451
  568   1HD   ARG  78          HD2       ARG  78  24.008   4.743 -23.146
  569   2HD   ARG  78          HD3       ARG  78  23.128   3.326 -22.599
  570    HE   ARG  78           HE       ARG  78  22.949   4.704 -25.216
  571   1HH1  ARG  78          HH11      ARG  78  21.544   2.092 -23.230
  572   2HH1  ARG  78          HH12      ARG  78  20.796   1.347 -24.617
  573   1HH2  ARG  78          HH21      ARG  78  22.395   3.318 -27.014
  574   2HH2  ARG  78          HH22      ARG  78  21.470   1.869 -26.716
  575    H    ILE  79           H        ILE  79  21.029   7.423 -20.881
  576    HA   ILE  79           HA       ILE  79  18.945   9.116 -22.108
  577    HB   ILE  79           HB       ILE  79  20.394   9.577 -19.461
  578   1HG1  ILE  79          HG12      ILE  79  17.461   9.199 -20.187
  579   2HG1  ILE  79          HG13      ILE  79  18.451   8.115 -19.222
  580   1HG2  ILE  79          HG21      ILE  79  18.516  11.446 -21.013
  581   2HG2  ILE  79          HG22      ILE  79  19.207  11.780 -19.416
  582   3HG2  ILE  79          HG23      ILE  79  20.268  11.687 -20.800
  583   1HD1  ILE  79          HD11      ILE  79  16.977   9.310 -17.746
  584   2HD1  ILE  79          HD12      ILE  79  18.623   9.917 -17.463
  585   3HD1  ILE  79          HD13      ILE  79  17.447  10.872 -18.401
  586    H    SER  80           H        SER  80  19.821  10.710 -23.403
  587    HA   SER  80           HA       SER  80  22.651  11.308 -23.262
  588   1HB   SER  80          HB2       SER  80  21.518  10.209 -25.874
  589   2HB   SER  80          HB3       SER  80  23.185  10.715 -25.563
  590    HG   SER  80           HG       SER  80  22.669   8.945 -23.727
  591    H    HIS  81           H        HIS  81  23.158  13.154 -24.794
  592    HA   HIS  81           HA       HIS  81  21.066  15.134 -24.905
  593   1HB   HIS  81          HB2       HIS  81  22.603  16.426 -26.218
  594   2HB   HIS  81          HB3       HIS  81  23.436  15.730 -24.838
  595    HD1  HIS  81           HD1      HIS  81  23.217  15.378 -28.673
  596    HD2  HIS  81           HD2      HIS  81  25.514  14.108 -25.375
  597    HE1  HIS  81           HE1      HIS  81  25.315  14.285 -29.632
  598    H    GLN  82           H        GLN  82  19.898  15.908 -26.777
  599    HA   GLN  82           HA       GLN  82  19.035  13.941 -28.710
  600   1HB   GLN  82          HB2       GLN  82  18.836  16.986 -28.592
  601   2HB   GLN  82          HB3       GLN  82  18.183  16.022 -29.916
  602   1HG   GLN  82          HG2       GLN  82  16.719  14.803 -28.339
  603   2HG   GLN  82          HG3       GLN  82  17.274  15.834 -27.022
  604   1HE2  GLN  82          HE22      GLN  82  14.530  15.786 -27.591
  605   2HE2  GLN  82          HE21      GLN  82  14.069  17.268 -28.385
  606    H    SER  83           H        SER  83  19.518  13.948 -31.007
  607    HA   SER  83           HA       SER  83  22.231  14.282 -31.722
  608   1HB   SER  83          HB2       SER  83  19.827  13.968 -33.562
  609   2HB   SER  83          HB3       SER  83  21.492  13.433 -33.856
  610    HG   SER  83           HG       SER  83  20.134  11.715 -33.192
  611    H    GLN  84           H        GLN  84  20.755  16.881 -30.948
  612    HA   GLN  84           HA       GLN  84  21.624  18.582 -33.170
  613   1HB   GLN  84          HB2       GLN  84  19.416  19.703 -33.345
  614   2HB   GLN  84          HB3       GLN  84  19.386  18.035 -33.911
  615   1HG   GLN  84          HG2       GLN  84  18.278  17.288 -31.867
  616   2HG   GLN  84          HG3       GLN  84  18.450  18.883 -31.134
  617   1HE2  GLN  84          HE22      GLN  84  16.069  18.526 -30.806
  618   2HE2  GLN  84          HE21      GLN  84  14.994  19.045 -32.095
  619    H    ASP  85           H        ASP  85  20.932  18.137 -29.734
  620    HA   ASP  85           HA       ASP  85  21.862  20.805 -29.084
  621   1HB   ASP  85          HB2       ASP  85  19.433  21.181 -29.712
  622   2HB   ASP  85          HB3       ASP  85  18.972  20.031 -28.459
  623    H    LYS  86           H        LYS  86  22.180  20.979 -26.738
  624    HA   LYS  86           HA       LYS  86  23.006  18.547 -25.505
  625   1HB   LYS  86          HB2       LYS  86  22.497  21.283 -24.263
  626   2HB   LYS  86          HB3       LYS  86  23.391  19.968 -23.508
  627   1HG   LYS  86          HG2       LYS  86  24.223  21.473 -26.027
  628   2HG   LYS  86          HG3       LYS  86  24.895  21.664 -24.408
  629   1HD   LYS  86          HD2       LYS  86  25.663  19.277 -24.466
  630   2HD   LYS  86          HD3       LYS  86  25.083  19.161 -26.145
  631   1HE   LYS  86          HE2       LYS  86  26.583  21.025 -26.796
  632   2HE   LYS  86          HE3       LYS  86  27.160  21.152 -25.130
  633   1HZ   LYS  86          HZ1       LYS  86  28.675  19.868 -26.492
  634   2HZ   LYS  86          HZ2       LYS  86  28.053  18.906 -25.336
  635   3HZ   LYS  86          HZ3       LYS  86  27.522  18.787 -26.879
  636    H    LYS  87           H        LYS  87  19.850  20.069 -25.532
  637    HA   LYS  87           HA       LYS  87  18.583  19.211 -23.230
  638   1HB   LYS  87          HB2       LYS  87  17.592  20.450 -25.143
  639   2HB   LYS  87          HB3       LYS  87  17.592  18.965 -26.109
  640   1HG   LYS  87          HG2       LYS  87  16.058  17.934 -24.377
  641   2HG   LYS  87          HG3       LYS  87  16.019  19.505 -23.559
  642   1HD   LYS  87          HD2       LYS  87  15.077  18.934 -26.401
  643   2HD   LYS  87          HD3       LYS  87  14.035  19.141 -24.986
  644   1HE   LYS  87          HE2       LYS  87  14.866  21.475 -24.716
  645   2HE   LYS  87          HE3       LYS  87  15.899  21.271 -26.136
  646   1HZ   LYS  87          HZ1       LYS  87  12.931  21.173 -26.139
  647   2HZ   LYS  87          HZ2       LYS  87  13.861  22.386 -26.716
  648   3HZ   LYS  87          HZ3       LYS  87  13.884  20.938 -27.462
  649    H    ILE  88           H        ILE  88  18.388  17.208 -22.227
  650    HA   ILE  88           HA       ILE  88  19.362  14.917 -23.745
  651    HB   ILE  88           HB       ILE  88  19.380  13.658 -21.762
  652   1HG1  ILE  88          HG12      ILE  88  17.454  14.587 -20.529
  653   2HG1  ILE  88          HG13      ILE  88  18.898  14.313 -19.582
  654   1HG2  ILE  88          HG21      ILE  88  21.327  14.949 -22.360
  655   2HG2  ILE  88          HG22      ILE  88  20.757  16.337 -21.421
  656   3HG2  ILE  88          HG23      ILE  88  21.184  14.816 -20.603
  657   1HD1  ILE  88          HD11      ILE  88  17.816  16.370 -18.879
  658   2HD1  ILE  88          HD12      ILE  88  19.410  16.729 -19.549
  659   3HD1  ILE  88          HD13      ILE  88  17.945  17.051 -20.505
  660    H    HIS  89           H        HIS  89  18.355  12.843 -23.670
  661    HA   HIS  89           HA       HIS  89  15.417  12.874 -24.051
  662   1HB   HIS  89          HB2       HIS  89  16.660  13.399 -26.156
  663   2HB   HIS  89          HB3       HIS  89  17.624  11.938 -25.951
  664    HD1  HIS  89           HD1      HIS  89  14.148  13.083 -27.014
  665    HD2  HIS  89           HD2      HIS  89  16.482   9.601 -26.664
  666    HE1  HIS  89           HE1      HIS  89  12.939  11.263 -28.347
  667    H    VAL  90           H        VAL  90  14.511  10.845 -23.525
  668    HA   VAL  90           HA       VAL  90  16.334   8.952 -22.117
  669    HB   VAL  90           HB       VAL  90  13.358   9.449 -21.682
  670   1HG1  VAL  90          HG11      VAL  90  14.298   7.299 -20.831
  671   2HG1  VAL  90          HG12      VAL  90  15.443   8.204 -19.833
  672   3HG1  VAL  90          HG13      VAL  90  13.701   8.351 -19.538
  673   1HG2  VAL  90          HG21      VAL  90  15.686  10.780 -20.233
  674   2HG2  VAL  90          HG22      VAL  90  14.400  11.577 -21.164
  675   3HG2  VAL  90          HG23      VAL  90  14.007  10.765 -19.651
  676    H    TYR  91           H        TYR  91  16.381   6.797 -22.835
  677    HA   TYR  91           HA       TYR  91  14.246   5.765 -24.560
  678   1HB   TYR  91          HB2       TYR  91  15.632   5.637 -26.538
  679   2HB   TYR  91          HB3       TYR  91  15.550   7.295 -26.036
  680    HD1  TYR  91           HD1      TYR  91  17.560   8.397 -24.927
  681    HD2  TYR  91           HD2      TYR  91  17.717   4.389 -26.499
  682    HE1  TYR  91           HE1      TYR  91  20.018   8.497 -24.926
  683    HE2  TYR  91           HE2      TYR  91  20.164   4.489 -26.541
  684    HH   TYR  91           HH       TYR  91  21.997   7.411 -25.446
  685    H    GLY  92           H        GLY  92  15.391   3.632 -25.705
  686   1HA   GLY  92          HA2       GLY  92  16.523   1.669 -25.478
  687   2HA   GLY  92          HA3       GLY  92  17.510   2.429 -24.226
  688    H    TYR  93           H        TYR  93  17.461   0.304 -23.187
  689    HA   TYR  93           HA       TYR  93  15.240   0.041 -21.311
  690   1HB   TYR  93          HB2       TYR  93  14.797  -2.262 -21.793
  691   2HB   TYR  93          HB3       TYR  93  14.532  -1.351 -23.266
  692    HD1  TYR  93           HD1      TYR  93  16.480  -1.370 -25.039
  693    HD2  TYR  93           HD2      TYR  93  16.134  -4.194 -21.793
  694    HE1  TYR  93           HE1      TYR  93  17.988  -2.931 -26.234
  695    HE2  TYR  93           HE2      TYR  93  17.614  -5.765 -22.992
  696    HH   TYR  93           HH       TYR  93  18.902  -6.137 -24.902
  697    H    SER  94           H        SER  94  15.874  -1.173 -19.419
  698    HA   SER  94           HA       SER  94  18.764  -1.514 -19.021
  699   1HB   SER  94          HB2       SER  94  16.300  -2.058 -17.315
  700   2HB   SER  94          HB3       SER  94  17.962  -2.392 -16.786
  701    HG   SER  94           HG       SER  94  17.380  -0.336 -16.106
  702    H    MET  95           H        MET  95  19.829  -3.470 -19.278
  703    HA   MET  95           HA       MET  95  18.596  -5.535 -20.781
  704   1HB   MET  95          HB2       MET  95  21.030  -4.968 -20.756
  705   2HB   MET  95          HB3       MET  95  21.153  -5.613 -19.116
  706   1HG   MET  95          HG2       MET  95  21.968  -7.229 -20.725
  707   2HG   MET  95          HG3       MET  95  20.522  -7.853 -19.941
  708   1HE   MET  95          HE1       MET  95  20.346  -9.481 -23.492
  709   2HE   MET  95          HE2       MET  95  21.798  -9.161 -22.517
  710   3HE   MET  95          HE3       MET  95  20.315  -9.759 -21.737
  711    H    ALA  96           H        ALA  96  19.087  -5.147 -17.283
  712    HA   ALA  96           HA       ALA  96  18.193  -7.891 -16.723
  713   1HB   ALA  96          HB1       ALA  96  20.116  -6.894 -15.512
  714   2HB   ALA  96          HB2       ALA  96  19.030  -5.652 -14.829
  715   3HB   ALA  96          HB3       ALA  96  18.802  -7.360 -14.419
  716    H    TYR  97           H        TYR  97  16.650  -4.769 -16.947
  717    HA   TYR  97           HA       TYR  97  14.410  -5.704 -15.197
  718   1HB   TYR  97          HB2       TYR  97  15.309  -2.832 -15.454
  719   2HB   TYR  97          HB3       TYR  97  14.183  -3.515 -14.298
  720    HD1  TYR  97           HD1      TYR  97  17.025  -1.874 -14.160
  721    HD2  TYR  97           HD2      TYR  97  15.641  -5.844 -13.180
  722    HE1  TYR  97           HE1      TYR  97  18.796  -2.068 -12.442
  723    HE2  TYR  97           HE2      TYR  97  17.444  -6.070 -11.515
  724    HH   TYR  97           HH       TYR  97  19.264  -5.056 -10.493
  725    H    GLY  98           H        GLY  98  15.183  -4.754 -18.380
  726   1HA   GLY  98          HA2       GLY  98  13.794  -4.525 -20.183
  727   2HA   GLY  98          HA3       GLY  98  12.373  -4.575 -19.133
  728    HA   PRO  99           HA       PRO  99  13.225  -0.148 -20.484
  729   1HB   PRO  99          HB2       PRO  99  10.967   0.294 -21.975
  730   2HB   PRO  99          HB3       PRO  99  12.469  -0.391 -22.657
  731   1HG   PRO  99          HG2       PRO  99   9.984  -1.865 -21.752
  732   2HG   PRO  99          HG3       PRO  99  10.944  -2.115 -23.243
  733   1HD   PRO  99          HD2       PRO  99  11.230  -3.671 -20.999
  734   2HD   PRO  99          HD3       PRO  99  12.604  -3.304 -22.085
  735    H    ALA 100           H        ALA 100  12.525   1.424 -19.146
  736    HA   ALA 100           HA       ALA 100  10.346   1.000 -17.225
  737   1HB   ALA 100          HB1       ALA 100  10.941   3.429 -16.703
  738   2HB   ALA 100          HB2       ALA 100  12.308   2.332 -16.563
  739   3HB   ALA 100          HB3       ALA 100  12.130   3.330 -18.018
  740    H    GLN 101           H        GLN 101   8.676   2.799 -17.059
  741    HA   GLN 101           HA       GLN 101   7.463   3.468 -19.675
  742   1HB   GLN 101          HB2       GLN 101   6.653   4.096 -16.797
  743   2HB   GLN 101          HB3       GLN 101   5.784   4.658 -18.232
  744   1HG   GLN 101          HG2       GLN 101   6.136   1.786 -17.327
  745   2HG   GLN 101          HG3       GLN 101   4.668   2.782 -17.252
  746   1HE2  GLN 101          HE22      GLN 101   3.747   3.553 -19.407
  747   2HE2  GLN 101          HE21      GLN 101   3.922   2.498 -20.785
  748    H    HIS 102           H        HIS 102   9.401   4.641 -20.388
  749    HA   HIS 102           HA       HIS 102  10.587   6.740 -18.992
  750   1HB   HIS 102          HB2       HIS 102  10.255   6.475 -21.992
  751   2HB   HIS 102          HB3       HIS 102  11.460   7.469 -21.174
  752    HD1  HIS 102           HD1      HIS 102  11.070   3.989 -22.501
  753    HD2  HIS 102           HD2      HIS 102  13.043   5.898 -19.324
  754    HE1  HIS 102           HE1      HIS 102  12.785   2.333 -21.587
  755    H    ALA 103           H        ALA 103   7.449   6.762 -20.472
  756    HA   ALA 103           HA       ALA 103   6.933   9.521 -20.763
  757   1HB   ALA 103          HB1       ALA 103   4.576   8.820 -20.324
  758   2HB   ALA 103          HB2       ALA 103   5.386   7.738 -21.471
  759   3HB   ALA 103          HB3       ALA 103   5.153   7.226 -19.779
  760    H    ILE 104           H        ILE 104   7.070   7.463 -17.811
  761    HA   ILE 104           HA       ILE 104   5.999   9.430 -15.985
  762    HB   ILE 104           HB       ILE 104   7.961   7.154 -15.459
  763   1HG1  ILE 104          HG12      ILE 104   5.824   6.330 -16.497
  764   2HG1  ILE 104          HG13      ILE 104   6.214   5.678 -14.919
  765   1HG2  ILE 104          HG21      ILE 104   6.200   8.760 -13.564
  766   2HG2  ILE 104          HG22      ILE 104   7.037   7.257 -13.122
  767   3HG2  ILE 104          HG23      ILE 104   7.969   8.683 -13.597
  768   1HD1  ILE 104          HD11      ILE 104   4.198   7.904 -15.378
  769   2HD1  ILE 104          HD12      ILE 104   3.820   6.171 -15.213
  770   3HD1  ILE 104          HD13      ILE 104   4.535   7.042 -13.848
  771    H    SER 105           H        SER 105   9.321   8.396 -16.981
  772    HA   SER 105           HA       SER 105  10.784  10.107 -15.406
  773   1HB   SER 105          HB2       SER 105  11.492   9.282 -18.246
  774   2HB   SER 105          HB3       SER 105  12.589   9.665 -16.925
  775    HG   SER 105           HG       SER 105  12.251   7.395 -17.225
  776    H    THR 106           H        THR 106   9.711  10.740 -18.828
  777    HA   THR 106           HA       THR 106  10.862  13.324 -18.883
  778    HB   THR 106           HB       THR 106   9.233  13.694 -20.811
  779    HG1  THR 106           HG1      THR 106   8.025  11.977 -21.457
  780   1HG2  THR 106          HG21      THR 106  10.967  11.179 -20.867
  781   2HG2  THR 106          HG22      THR 106  10.419  12.125 -22.270
  782   3HG2  THR 106          HG23      THR 106  11.547  12.841 -21.111
  783    H    GLU 107           H        GLU 107   7.482  12.348 -17.971
  784    HA   GLU 107           HA       GLU 107   6.598  15.009 -17.563
  785   1HB   GLU 107          HB2       GLU 107   5.716  12.346 -16.385
  786   2HB   GLU 107          HB3       GLU 107   4.972  13.877 -15.911
  787   1HG   GLU 107          HG2       GLU 107   4.431  14.375 -18.279
  788   2HG   GLU 107          HG3       GLU 107   5.116  12.829 -18.769
  789    H    LYS 108           H        LYS 108   8.130  12.714 -15.218
  790    HA   LYS 108           HA       LYS 108   7.992  14.556 -13.023
  791   1HB   LYS 108          HB2       LYS 108   9.811  12.167 -13.584
  792   2HB   LYS 108          HB3       LYS 108   9.849  13.080 -12.083
  793   1HG   LYS 108          HG2       LYS 108   7.520  11.414 -13.077
  794   2HG   LYS 108          HG3       LYS 108   8.608  11.086 -11.729
  795   1HD   LYS 108          HD2       LYS 108   7.716  13.461 -10.862
  796   2HD   LYS 108          HD3       LYS 108   6.391  13.122 -11.971
  797   1HE   LYS 108          HE2       LYS 108   5.682  12.361  -9.856
  798   2HE   LYS 108          HE3       LYS 108   6.063  10.897 -10.769
  799   1HZ   LYS 108          HZ1       LYS 108   8.081  10.659  -9.489
  800   2HZ   LYS 108          HZ2       LYS 108   7.972  12.183  -8.872
  801   3HZ   LYS 108          HZ3       LYS 108   6.928  11.030  -8.416
  802    H    ILE 109           H        ILE 109  10.656  13.899 -15.371
  803    HA   ILE 109           HA       ILE 109  12.478  15.734 -14.170
  804    HB   ILE 109           HB       ILE 109  12.246  14.671 -17.003
  805   1HG1  ILE 109          HG12      ILE 109  14.360  13.965 -14.910
  806   2HG1  ILE 109          HG13      ILE 109  12.847  13.079 -15.024
  807   1HG2  ILE 109          HG21      ILE 109  14.610  16.174 -15.779
  808   2HG2  ILE 109          HG22      ILE 109  14.560  15.467 -17.386
  809   3HG2  ILE 109          HG23      ILE 109  13.524  16.835 -17.024
  810   1HD1  ILE 109          HD11      ILE 109  13.364  12.505 -17.407
  811   2HD1  ILE 109          HD12      ILE 109  14.942  13.306 -17.234
  812   3HD1  ILE 109          HD13      ILE 109  14.566  11.886 -16.262
  813    H    LYS 110           H        LYS 110  10.041  16.240 -16.868
  814    HA   LYS 110           HA       LYS 110  10.760  18.984 -17.179
  815   1HB   LYS 110          HB2       LYS 110   8.168  17.499 -17.784
  816   2HB   LYS 110          HB3       LYS 110   8.418  19.211 -18.150
  817   1HG   LYS 110          HG2       LYS 110  10.383  18.657 -19.556
  818   2HG   LYS 110          HG3       LYS 110  10.167  16.948 -19.204
  819   1HD   LYS 110          HD2       LYS 110   9.263  17.348 -21.372
  820   2HD   LYS 110          HD3       LYS 110   7.908  17.029 -20.282
  821   1HE   LYS 110          HE2       LYS 110   7.468  19.471 -20.105
  822   2HE   LYS 110          HE3       LYS 110   8.868  19.812 -21.131
  823   1HZ   LYS 110          HZ1       LYS 110   7.735  18.654 -22.942
  824   2HZ   LYS 110          HZ2       LYS 110   6.442  18.337 -21.989
  825   3HZ   LYS 110          HZ3       LYS 110   6.811  19.872 -22.386
  826    H    ALA 111           H        ALA 111   8.386  17.425 -14.957
  827    HA   ALA 111           HA       ALA 111   7.296  19.839 -13.949
  828   1HB   ALA 111          HB1       ALA 111   7.621  17.140 -12.559
  829   2HB   ALA 111          HB2       ALA 111   6.542  18.456 -12.054
  830   3HB   ALA 111          HB3       ALA 111   6.262  17.630 -13.598
  831    H    LYS 112           H        LYS 112  10.179  17.952 -12.846
  832    HA   LYS 112           HA       LYS 112  10.642  19.887 -10.686
  833   1HB   LYS 112          HB2       LYS 112  12.191  17.417 -11.497
  834   2HB   LYS 112          HB3       LYS 112  12.540  18.424 -10.088
  835   1HG   LYS 112          HG2       LYS 112   9.990  16.867 -10.603
  836   2HG   LYS 112          HG3       LYS 112  11.249  16.475  -9.420
  837   1HD   LYS 112          HD2       LYS 112  10.694  18.689  -8.282
  838   2HD   LYS 112          HD3       LYS 112   9.303  18.822  -9.361
  839   1HE   LYS 112          HE2       LYS 112   9.793  16.691  -7.251
  840   2HE   LYS 112          HE3       LYS 112   8.594  17.978  -7.228
  841   1HZ   LYS 112          HZ1       LYS 112   7.635  16.866  -9.278
  842   2HZ   LYS 112          HZ2       LYS 112   8.575  15.545  -8.910
  843   3HZ   LYS 112          HZ3       LYS 112   7.453  16.074  -7.869
  844    H    TYR 113           H        TYR 113  11.579  19.597 -13.930
  845    HA   TYR 113           HA       TYR 113  13.037  20.432 -15.270
  846   1HB   TYR 113          HB2       TYR 113  13.263  22.901 -15.294
  847   2HB   TYR 113          HB3       TYR 113  11.647  22.248 -15.270
  848    HD1  TYR 113           HD1      TYR 113  10.141  22.541 -13.371
  849    HD2  TYR 113           HD2      TYR 113  14.109  24.232 -13.351
  850    HE1  TYR 113           HE1      TYR 113   9.515  23.970 -11.448
  851    HE2  TYR 113           HE2      TYR 113  13.497  25.669 -11.436
  852    HH   TYR 113           HH       TYR 113  11.823  26.280  -9.931
  853    HA   PRO 114           HA       PRO 114  17.007  20.098 -12.786
  854   1HB   PRO 114          HB2       PRO 114  17.227  17.722 -14.618
  855   2HB   PRO 114          HB3       PRO 114  17.791  17.893 -12.926
  856   1HG   PRO 114          HG2       PRO 114  15.577  16.444 -13.538
  857   2HG   PRO 114          HG3       PRO 114  15.608  17.495 -12.085
  858   1HD   PRO 114          HD2       PRO 114  14.395  18.093 -14.798
  859   2HD   PRO 114          HD3       PRO 114  13.725  18.332 -13.162
  860    H    ASP 115           H        ASP 115  15.726  19.782 -16.038
  861    HA   ASP 115           HA       ASP 115  17.601  21.714 -17.137
  862   1HB   ASP 115          HB2       ASP 115  18.501  19.476 -17.852
  863   2HB   ASP 115          HB3       ASP 115  16.929  19.104 -18.570
  864    H    TYR 116           H        TYR 116  16.479  22.641 -19.135
  865    HA   TYR 116           HA       TYR 116  13.954  23.530 -18.265
  866   1HB   TYR 116          HB2       TYR 116  15.229  23.760 -21.017
  867   2HB   TYR 116          HB3       TYR 116  13.858  24.703 -20.453
  868    HD1  TYR 116           HD1      TYR 116  14.142  26.236 -18.417
  869    HD2  TYR 116           HD2      TYR 116  17.478  24.471 -20.513
  870    HE1  TYR 116           HE1      TYR 116  15.650  27.928 -17.426
  871    HE2  TYR 116           HE2      TYR 116  18.995  26.160 -19.528
  872    HH   TYR 116           HH       TYR 116  17.837  28.723 -17.282
  873    H    GLU 117           H        GLU 117  14.695  20.902 -20.567
  874    HA   GLU 117           HA       GLU 117  11.960  19.980 -20.505
  875   1HB   GLU 117          HB2       GLU 117  11.820  21.735 -22.252
  876   2HB   GLU 117          HB3       GLU 117  13.179  21.008 -23.117
  877   1HG   GLU 117          HG2       GLU 117  11.850  19.054 -23.669
  878   2HG   GLU 117          HG3       GLU 117  10.560  19.552 -22.566
  879    H    VAL 118           H        VAL 118  11.864  17.833 -21.655
  880    HA   VAL 118           HA       VAL 118  14.312  16.654 -22.639
  881    HB   VAL 118           HB       VAL 118  13.962  14.566 -21.274
  882   1HG1  VAL 118          HG11      VAL 118  14.784  16.910 -19.534
  883   2HG1  VAL 118          HG12      VAL 118  15.351  15.223 -19.481
  884   3HG1  VAL 118          HG13      VAL 118  15.767  16.258 -20.855
  885   1HG2  VAL 118          HG21      VAL 118  12.447  16.325 -19.299
  886   2HG2  VAL 118          HG22      VAL 118  11.659  15.164 -20.387
  887   3HG2  VAL 118          HG23      VAL 118  12.825  14.591 -19.185
  888    H    THR 119           H        THR 119  13.665  14.354 -23.483
  889    HA   THR 119           HA       THR 119  10.869  14.184 -24.398
  890    HB   THR 119           HB       THR 119  11.884  13.750 -26.761
  891    HG1  THR 119           HG1      THR 119  13.946  15.258 -25.513
  892   1HG2  THR 119          HG21      THR 119  11.879  16.620 -25.756
  893   2HG2  THR 119          HG22      THR 119  11.701  16.062 -27.433
  894   3HG2  THR 119          HG23      THR 119  10.443  15.688 -26.243
  895    H    TRP 120           H        TRP 120  10.696  11.945 -25.700
  896    HA   TRP 120           HA       TRP 120  12.787  10.082 -24.953
  897   1HB   TRP 120          HB2       TRP 120  11.418   8.465 -23.844
  898   2HB   TRP 120          HB3       TRP 120  11.222   9.969 -22.979
  899    HD1  TRP 120           HD1      TRP 120   8.794  11.303 -23.962
  900    HE1  TRP 120           HE1      TRP 120   6.468  10.252 -24.036
  901    HE3  TRP 120           HE3      TRP 120  10.170   6.395 -24.347
  902    HZ2  TRP 120           HZ2      TRP 120   5.335   7.584 -24.210
  903    HZ3  TRP 120           HZ3      TRP 120   8.447   4.616 -24.429
  904    HH2  TRP 120           HH2      TRP 120   6.031   5.195 -24.366
  905    H    ALA 121           H        ALA 121  12.481   7.950 -25.910
  906    HA   ALA 121           HA       ALA 121  10.380   7.619 -27.873
  907   1HB   ALA 121          HB1       ALA 121  11.955   6.980 -29.709
  908   2HB   ALA 121          HB2       ALA 121  12.142   8.691 -29.278
  909   3HB   ALA 121          HB3       ALA 121  13.331   7.493 -28.711
  910    H    ASN 122           H        ASN 122   9.996   5.389 -28.178
  911    HA   ASN 122           HA       ASN 122  11.154   3.596 -26.175
  912   1HB   ASN 122          HB2       ASN 122   9.358   2.143 -26.689
  913   2HB   ASN 122          HB3       ASN 122   8.692   3.766 -26.575
  914   1HD2  ASN 122          HD22      ASN 122   7.905   1.148 -28.131
  915   2HD2  ASN 122          HD21      ASN 122   7.577   1.743 -29.736
  916    H    ASP 123           H        ASP 123  13.143   4.306 -27.885
  917    HA   ASP 123           HA       ASP 123  13.710   1.957 -29.589
  918   1HB   ASP 123          HB2       ASP 123  12.455   3.839 -30.882
  919   2HB   ASP 123          HB3       ASP 123  13.935   4.771 -30.712
  920    H    GLY 124           H        GLY 124  16.107   3.192 -30.720
  921   1HA   GLY 124          HA2       GLY 124  18.180   3.986 -30.266
  922   2HA   GLY 124          HA3       GLY 124  17.604   4.574 -28.710
  923    H    TYR 125           H        TYR 125  16.751   1.819 -27.941
  924    HA   TYR 125           HA       TYR 125  17.431   0.024 -26.789
  925   1HB   TYR 125          HB2       TYR 125  19.085  -0.399 -29.283
  926   2HB   TYR 125          HB3       TYR 125  18.607  -1.637 -28.132
  927    HD1  TYR 125           HD1      TYR 125  17.578   0.331 -31.015
  928    HD2  TYR 125           HD2      TYR 125  16.103  -2.109 -27.776
  929    HE1  TYR 125           HE1      TYR 125  15.411   0.107 -32.182
  930    HE2  TYR 125           HE2      TYR 125  13.927  -2.339 -28.935
  931    HH   TYR 125           HH       TYR 125  13.258  -0.777 -32.106
  Start of MODEL    4
    1   1H    MET   1          H1        MET   1   8.743   9.987  18.744
    2   2H    MET   1          H2        MET   1   9.080   8.609  17.931
    3   3H    MET   1          H3        MET   1   9.454   8.737  19.521
    4    HA   MET   1           HA       MET   1  11.038  10.449  19.112
    5   1HB   MET   1          HB2       MET   1  11.826   8.109  19.126
    6   2HB   MET   1          HB3       MET   1  11.586   8.002  17.381
    7   1HG   MET   1          HG2       MET   1  13.251   9.850  17.072
    8   2HG   MET   1          HG3       MET   1  13.441   9.943  18.823
    9   1HE   MET   1          HE1       MET   1  14.270   8.071  15.524
   10   2HE   MET   1          HE2       MET   1  15.039   6.567  16.074
   11   3HE   MET   1          HE3       MET   1  13.294   6.795  16.291
   12    H    ALA   2           H        ALA   2  10.587   9.045  15.775
   13    HA   ALA   2           HA       ALA   2   9.968  11.676  14.662
   14   1HB   ALA   2          HB1       ALA   2  12.516  10.144  13.927
   15   2HB   ALA   2          HB2       ALA   2  11.900  11.590  13.102
   16   3HB   ALA   2          HB3       ALA   2  12.459  11.704  14.779
   17    H    VAL   3           H        VAL   3   9.610  11.385  12.242
   18    HA   VAL   3           HA       VAL   3   9.154   8.700  11.263
   19    HB   VAL   3           HB       VAL   3   7.121   9.183  12.608
   20   1HG1  VAL   3          HG11      VAL   3   6.543  11.418  10.625
   21   2HG1  VAL   3          HG12      VAL   3   5.462  10.819  11.898
   22   3HG1  VAL   3          HG13      VAL   3   6.970  11.630  12.338
   23   1HG2  VAL   3          HG21      VAL   3   5.493   8.447  11.052
   24   2HG2  VAL   3          HG22      VAL   3   6.396   9.052   9.664
   25   3HG2  VAL   3          HG23      VAL   3   7.027   7.683  10.612
   26    H    ALA   4           H        ALA   4   8.324   8.940   8.891
   27    HA   ALA   4           HA       ALA   4   8.929  11.457   7.568
   28   1HB   ALA   4          HB1       ALA   4  10.487  10.191   5.937
   29   2HB   ALA   4          HB2       ALA   4  11.162  10.561   7.533
   30   3HB   ALA   4          HB3       ALA   4  10.594   8.927   7.179
   31    H    ASP   5           H        ASP   5   8.477  10.948   5.055
   32    HA   ASP   5           HA       ASP   5   6.486   8.862   4.599
   33   1HB   ASP   5          HB2       ASP   5   5.059  10.556   5.635
   34   2HB   ASP   5          HB3       ASP   5   5.765  11.825   4.624
   35    H    LEU   6           H        LEU   6   5.854   8.889   2.281
   36    HA   LEU   6           HA       LEU   6   7.984   9.046   0.478
   37   1HB   LEU   6          HB2       LEU   6   4.977   9.232   0.024
   38   2HB   LEU   6          HB3       LEU   6   6.156   9.056  -1.256
   39    HG   LEU   6           HG       LEU   6   5.585   7.015   0.912
   40   1HD1  LEU   6          HD11      LEU   6   4.709   5.678  -0.990
   41   2HD1  LEU   6          HD12      LEU   6   3.820   7.196  -0.792
   42   3HD1  LEU   6          HD13      LEU   6   5.007   7.036  -2.087
   43   1HD2  LEU   6          HD21      LEU   6   7.928   6.789   0.355
   44   2HD2  LEU   6          HD22      LEU   6   7.048   5.499  -0.457
   45   3HD2  LEU   6          HD23      LEU   6   7.581   6.908  -1.389
   46    H    ALA   7           H        ALA   7   5.655  11.609   1.383
   47    HA   ALA   7           HA       ALA   7   6.123  13.312  -0.813
   48   1HB   ALA   7          HB1       ALA   7   5.166  15.073   0.624
   49   2HB   ALA   7          HB2       ALA   7   4.236  13.570   0.755
   50   3HB   ALA   7          HB3       ALA   7   5.367  14.035   2.051
   51    H    LEU   8           H        LEU   8   8.186  12.653   1.964
   52    HA   LEU   8           HA       LEU   8   9.675  15.175   1.766
   53   1HB   LEU   8          HB2       LEU   8  10.351  12.605   3.254
   54   2HB   LEU   8          HB3       LEU   8  11.143  14.164   3.445
   55    HG   LEU   8           HG       LEU   8   8.281  13.477   4.228
   56   1HD1  LEU   8          HD11      LEU   8   9.071  13.833   6.507
   57   2HD1  LEU   8          HD12      LEU   8  10.100  12.629   5.708
   58   3HD1  LEU   8          HD13      LEU   8  10.685  14.287   5.917
   59   1HD2  LEU   8          HD21      LEU   8   8.280  15.803   3.467
   60   2HD2  LEU   8          HD22      LEU   8   8.193  15.761   5.228
   61   3HD2  LEU   8          HD23      LEU   8   9.734  16.154   4.432
   62    H    ILE   9           H        ILE   9   9.718  12.123   0.108
   63    HA   ILE   9           HA       ILE   9  12.548  11.880  -0.232
   64    HB   ILE   9           HB       ILE   9  10.227  10.632  -1.768
   65   1HG1  ILE   9          HG12      ILE   9  11.832   9.681   0.652
   66   2HG1  ILE   9          HG13      ILE   9  10.120  10.137   0.650
   67   1HG2  ILE   9          HG21      ILE   9  12.350  10.475  -3.028
   68   2HG2  ILE   9          HG22      ILE   9  13.130   9.751  -1.612
   69   3HG2  ILE   9          HG23      ILE   9  11.827   8.902  -2.470
   70   1HD1  ILE   9          HD11      ILE   9   9.716   8.210  -0.953
   71   2HD1  ILE   9          HD12      ILE   9  11.377   7.678  -0.578
   72   3HD1  ILE   9          HD13      ILE   9  10.177   7.786   0.713
   73    HA   PRO  10           HA       PRO  10  12.793  14.954  -3.585
   74   1HB   PRO  10          HB2       PRO  10  15.246  14.295  -4.655
   75   2HB   PRO  10          HB3       PRO  10  15.040  15.222  -3.137
   76   1HG   PRO  10          HG2       PRO  10  15.570  12.260  -3.457
   77   2HG   PRO  10          HG3       PRO  10  16.360  13.413  -2.336
   78   1HD   PRO  10          HD2       PRO  10  14.335  11.770  -1.548
   79   2HD   PRO  10          HD3       PRO  10  14.491  13.426  -0.894
   80    H    ASP  11           H        ASP  11  12.136  14.858  -5.748
   81    HA   ASP  11           HA       ASP  11  11.138  12.247  -6.522
   82   1HB   ASP  11          HB2       ASP  11   9.898  14.462  -6.552
   83   2HB   ASP  11          HB3       ASP  11  10.829  14.885  -7.993
   84    H    VAL  12           H        VAL  12  13.556  14.513  -7.894
   85    HA   VAL  12           HA       VAL  12  14.430  12.430  -9.831
   86    HB   VAL  12           HB       VAL  12  13.801  15.333 -10.492
   87   1HG1  VAL  12          HG11      VAL  12  14.286  14.730 -12.833
   88   2HG1  VAL  12          HG12      VAL  12  15.712  14.516 -11.830
   89   3HG1  VAL  12          HG13      VAL  12  14.766  13.094 -12.329
   90   1HG2  VAL  12          HG21      VAL  12  12.335  12.813 -11.326
   91   2HG2  VAL  12          HG22      VAL  12  11.702  14.170 -10.369
   92   3HG2  VAL  12          HG23      VAL  12  12.112  14.419 -12.060
   93    H    ASP  13           H        ASP  13  16.646  12.451 -10.124
   94    HA   ASP  13           HA       ASP  13  18.218  14.823  -9.724
   95   1HB   ASP  13          HB2       ASP  13  18.188  14.074  -7.373
   96   2HB   ASP  13          HB3       ASP  13  18.685  12.453  -7.862
   97    H    ILE  14           H        ILE  14  19.544  14.685 -11.499
   98    HA   ILE  14           HA       ILE  14  20.418  12.060 -12.499
   99    HB   ILE  14           HB       ILE  14  19.667  12.600 -14.776
  100   1HG1  ILE  14          HG12      ILE  14  17.858  14.740 -13.580
  101   2HG1  ILE  14          HG13      ILE  14  19.385  15.100 -14.389
  102   1HG2  ILE  14          HG21      ILE  14  18.402  11.064 -13.274
  103   2HG2  ILE  14          HG22      ILE  14  17.315  12.406 -12.863
  104   3HG2  ILE  14          HG23      ILE  14  17.409  11.806 -14.530
  105   1HD1  ILE  14          HD11      ILE  14  17.582  15.381 -15.972
  106   2HD1  ILE  14          HD12      ILE  14  18.542  13.974 -16.457
  107   3HD1  ILE  14          HD13      ILE  14  16.970  13.752 -15.654
  108    H    ASP  15           H        ASP  15  21.839  12.497 -14.557
  109    HA   ASP  15           HA       ASP  15  23.803  14.595 -13.774
  110   1HB   ASP  15          HB2       ASP  15  24.237  12.256 -13.076
  111   2HB   ASP  15          HB3       ASP  15  24.205  11.765 -14.776
  112    H    SER  16           H        SER  16  22.092  15.487 -15.551
  113    HA   SER  16           HA       SER  16  22.042  14.927 -18.175
  114   1HB   SER  16          HB2       SER  16  21.903  17.713 -17.006
  115   2HB   SER  16          HB3       SER  16  21.004  17.064 -18.389
  116    HG   SER  16           HG       SER  16  19.745  17.123 -16.482
  117    H    ASP  17           H        ASP  17  25.033  15.620 -17.039
  118    HA   ASP  17           HA       ASP  17  25.962  17.754 -18.758
  119   1HB   ASP  17          HB2       ASP  17  27.004  17.194 -16.598
  120   2HB   ASP  17          HB3       ASP  17  27.434  15.593 -17.204
  121    H    GLY  18           H        GLY  18  25.359  14.346 -19.309
  122   1HA   GLY  18          HA2       GLY  18  26.396  14.425 -22.024
  123   2HA   GLY  18          HA3       GLY  18  27.403  13.487 -20.912
  124    H    VAL  19           H        VAL  19  26.854  11.614 -22.215
  125    HA   VAL  19           HA       VAL  19  24.100  10.566 -22.079
  126    HB   VAL  19           HB       VAL  19  26.680   9.429 -23.257
  127   1HG1  VAL  19          HG11      VAL  19  23.812   8.430 -23.531
  128   2HG1  VAL  19          HG12      VAL  19  25.205   7.827 -24.449
  129   3HG1  VAL  19          HG13      VAL  19  25.144   7.602 -22.700
  130   1HG2  VAL  19          HG21      VAL  19  25.637   9.956 -25.459
  131   2HG2  VAL  19          HG22      VAL  19  24.317  10.790 -24.617
  132   3HG2  VAL  19          HG23      VAL  19  25.976  11.407 -24.516
  133    H    PHE  20           H        PHE  20  23.480   9.083 -20.508
  134    HA   PHE  20           HA       PHE  20  25.399   7.455 -19.057
  135   1HB   PHE  20          HB2       PHE  20  24.781   8.245 -16.827
  136   2HB   PHE  20          HB3       PHE  20  25.576   9.520 -17.727
  137    HD1  PHE  20           HD1      PHE  20  22.507   8.557 -16.000
  138    HD2  PHE  20           HD2      PHE  20  24.195  11.383 -18.753
  139    HE1  PHE  20           HE1      PHE  20  20.552  10.054 -15.657
  140    HE2  PHE  20           HE2      PHE  20  22.214  12.828 -18.493
  141    HZ   PHE  20           HZ       PHE  20  20.399  12.197 -16.914
  142    H    LYS  21           H        LYS  21  24.078   6.090 -17.380
  143    HA   LYS  21           HA       LYS  21  21.530   5.319 -18.718
  144   1HB   LYS  21          HB2       LYS  21  23.399   3.743 -16.903
  145   2HB   LYS  21          HB3       LYS  21  21.867   3.147 -17.549
  146   1HG   LYS  21          HG2       LYS  21  22.701   3.339 -19.857
  147   2HG   LYS  21          HG3       LYS  21  24.236   4.009 -19.264
  148   1HD   LYS  21          HD2       LYS  21  24.577   1.916 -17.933
  149   2HD   LYS  21          HD3       LYS  21  23.141   1.220 -18.701
  150   1HE   LYS  21          HE2       LYS  21  24.192   1.458 -20.926
  151   2HE   LYS  21          HE3       LYS  21  25.595   2.251 -20.194
  152   1HZ   LYS  21          HZ1       LYS  21  26.021   0.191 -18.962
  153   2HZ   LYS  21          HZ2       LYS  21  24.780  -0.558 -19.739
  154   3HZ   LYS  21          HZ3       LYS  21  26.082  -0.052 -20.582
  155    H    TYR  22           H        TYR  22  19.738   4.668 -17.371
  156    HA   TYR  22           HA       TYR  22  19.703   5.881 -14.676
  157   1HB   TYR  22          HB2       TYR  22  18.469   7.645 -15.254
  158   2HB   TYR  22          HB3       TYR  22  18.887   7.322 -16.914
  159    HD1  TYR  22           HD1      TYR  22  16.235   7.609 -14.526
  160    HD2  TYR  22           HD2      TYR  22  17.336   5.648 -18.199
  161    HE1  TYR  22           HE1      TYR  22  13.863   7.005 -14.904
  162    HE2  TYR  22           HE2      TYR  22  14.984   4.971 -18.547
  163    HH   TYR  22           HH       TYR  22  12.354   5.966 -16.307
  164    H    VAL  23           H        VAL  23  17.485   5.450 -13.654
  165    HA   VAL  23           HA       VAL  23  16.165   3.003 -14.565
  166    HB   VAL  23           HB       VAL  23  18.132   2.352 -13.126
  167   1HG1  VAL  23          HG11      VAL  23  18.028   2.661 -10.699
  168   2HG1  VAL  23          HG12      VAL  23  18.116   4.230 -11.524
  169   3HG1  VAL  23          HG13      VAL  23  16.582   3.672 -10.863
  170   1HG2  VAL  23          HG21      VAL  23  16.269   0.831 -13.380
  171   2HG2  VAL  23          HG22      VAL  23  16.950   0.728 -11.756
  172   3HG2  VAL  23          HG23      VAL  23  15.415   1.584 -12.015
  173    H    LEU  24           H        LEU  24  14.069   2.764 -13.566
  174    HA   LEU  24           HA       LEU  24  12.976   5.227 -12.281
  175   1HB   LEU  24          HB2       LEU  24  12.179   4.807 -14.629
  176   2HB   LEU  24          HB3       LEU  24  11.621   3.218 -14.139
  177    HG   LEU  24           HG       LEU  24   9.975   4.358 -12.549
  178   1HD1  LEU  24          HD11      LEU  24  10.887   6.872 -14.009
  179   2HD1  LEU  24          HD12      LEU  24   9.520   6.736 -12.886
  180   3HD1  LEU  24          HD13      LEU  24  11.154   6.524 -12.282
  181   1HD2  LEU  24          HD21      LEU  24   9.296   3.576 -14.777
  182   2HD2  LEU  24          HD22      LEU  24   8.438   5.049 -14.311
  183   3HD2  LEU  24          HD23      LEU  24   9.771   5.145 -15.482
  184    H    ILE  25           H        ILE  25  12.567   4.701 -10.113
  185    HA   ILE  25           HA       ILE  25  11.904   1.853  -9.587
  186    HB   ILE  25           HB       ILE  25  13.404   1.510  -8.137
  187   1HG1  ILE  25          HG12      ILE  25  13.383   4.265  -6.896
  188   2HG1  ILE  25          HG13      ILE  25  12.328   2.941  -6.401
  189   1HG2  ILE  25          HG21      ILE  25  14.807   2.527  -9.896
  190   2HG2  ILE  25          HG22      ILE  25  14.838   4.051  -8.957
  191   3HG2  ILE  25          HG23      ILE  25  15.570   2.576  -8.311
  192   1HD1  ILE  25          HD11      ILE  25  15.345   2.982  -6.163
  193   2HD1  ILE  25          HD12      ILE  25  14.135   2.982  -4.874
  194   3HD1  ILE  25          HD13      ILE  25  14.322   1.545  -5.900
  195    H    ARG  26           H        ARG  26  10.254   1.365  -8.396
  196    HA   ARG  26           HA       ARG  26   8.371   3.461  -7.530
  197   1HB   ARG  26          HB2       ARG  26   7.578   1.428  -8.668
  198   2HB   ARG  26          HB3       ARG  26   8.294   0.402  -7.432
  199   1HG   ARG  26          HG2       ARG  26   6.729   1.016  -5.791
  200   2HG   ARG  26          HG3       ARG  26   6.293   2.525  -6.599
  201   1HD   ARG  26          HD2       ARG  26   5.645  -0.215  -7.756
  202   2HD   ARG  26          HD3       ARG  26   4.538   0.706  -6.712
  203    HE   ARG  26           HE       ARG  26   5.286   2.525  -8.632
  204   1HH1  ARG  26          HH11      ARG  26   3.652  -0.634  -8.779
  205   2HH1  ARG  26          HH12      ARG  26   2.806  -0.275 -10.237
  206   1HH2  ARG  26          HH21      ARG  26   4.218   3.005 -10.537
  207   2HH2  ARG  26          HH22      ARG  26   3.117   1.866 -11.260
  208    H    VAL  27           H        VAL  27   7.923   3.810  -5.355
  209    HA   VAL  27           HA       VAL  27   9.614   2.530  -3.273
  210    HB   VAL  27           HB       VAL  27   8.823   5.477  -3.480
  211   1HG1  VAL  27          HG11      VAL  27   9.298   4.612  -1.189
  212   2HG1  VAL  27          HG12      VAL  27  10.920   4.128  -1.736
  213   3HG1  VAL  27          HG13      VAL  27  10.457   5.835  -1.724
  214   1HG2  VAL  27          HG21      VAL  27  11.520   4.281  -4.230
  215   2HG2  VAL  27          HG22      VAL  27  10.388   5.126  -5.315
  216   3HG2  VAL  27          HG23      VAL  27  11.175   6.015  -4.019
  217    H    HIS  28           H        HIS  28   8.262   1.707  -1.697
  218    HA   HIS  28           HA       HIS  28   5.355   2.383  -1.713
  219   1HB   HIS  28          HB2       HIS  28   6.892   0.205  -0.253
  220   2HB   HIS  28          HB3       HIS  28   5.143   0.348  -0.416
  221    HD1  HIS  28           HD1      HIS  28   4.435   0.333  -3.310
  222    HD2  HIS  28           HD2      HIS  28   7.961  -1.482  -1.905
  223    HE1  HIS  28           HE1      HIS  28   5.126  -1.366  -5.077
  224    H    SER  29           H        SER  29   4.325   3.242   0.167
  225    HA   SER  29           HA       SER  29   5.878   4.816   1.924
  226   1HB   SER  29          HB2       SER  29   3.108   3.792   2.502
  227   2HB   SER  29          HB3       SER  29   3.844   5.268   3.109
  228    HG   SER  29           HG       SER  29   3.458   6.216   1.216
  229    H    ALA  30           H        ALA  30   7.443   3.718   3.030
  230    HA   ALA  30           HA       ALA  30   6.485   2.472   5.487
  231   1HB   ALA  30          HB1       ALA  30   8.603   1.110   3.770
  232   2HB   ALA  30          HB2       ALA  30   8.077   0.603   5.383
  233   3HB   ALA  30          HB3       ALA  30   6.945   0.542   4.027
  234    HA   PRO  31           HA       PRO  31  10.707   5.030   5.700
  235   1HB   PRO  31          HB2       PRO  31   8.864   7.363   6.115
  236   2HB   PRO  31          HB3       PRO  31  10.588   7.355   5.603
  237   1HG   PRO  31          HG2       PRO  31   8.595   7.632   3.782
  238   2HG   PRO  31          HG3       PRO  31  10.043   6.649   3.444
  239   1HD   PRO  31          HD2       PRO  31   7.275   5.747   4.175
  240   2HD   PRO  31          HD3       PRO  31   8.497   4.984   3.109
  241    H    ARG  32           H        ARG  32  11.540   5.273   7.685
  242    HA   ARG  32           HA       ARG  32  11.815   4.545   9.785
  243   1HB   ARG  32          HB2       ARG  32   9.760   6.744  10.152
  244   2HB   ARG  32          HB3       ARG  32  10.721   6.111  11.479
  245   1HG   ARG  32          HG2       ARG  32  12.058   7.309   9.017
  246   2HG   ARG  32          HG3       ARG  32  11.474   8.292  10.347
  247   1HD   ARG  32          HD2       ARG  32  13.814   7.926  10.697
  248   2HD   ARG  32          HD3       ARG  32  12.911   7.084  11.944
  249    HE   ARG  32           HE       ARG  32  13.646   5.052  11.176
  250   1HH1  ARG  32          HH22      ARG  32  14.763   7.560   8.897
  251   2HH1  ARG  32          HH21      ARG  32  15.763   6.440   8.010
  252   1HH2  ARG  32          HH12      ARG  32  14.949   3.614   9.886
  253   2HH2  ARG  32          HH11      ARG  32  15.813   4.256   8.519
  254    H    SER  33           H        SER  33   9.731   2.952   8.372
  255    HA   SER  33           HA       SER  33   8.166   1.422   8.724
  256   1HB   SER  33          HB2       SER  33   9.397   1.130  11.489
  257   2HB   SER  33          HB3       SER  33   8.501  -0.096  10.577
  258    HG   SER  33           HG       SER  33  10.772  -0.368  10.415
  259    H    GLY  34           H        GLY  34   7.395   4.193   9.342
  260   1HA   GLY  34          HA2       GLY  34   5.026   3.687  11.063
  261   2HA   GLY  34          HA3       GLY  34   6.212   4.897  11.572
  262    H    ALA  35           H        ALA  35   6.114   4.933   8.180
  263    HA   ALA  35           HA       ALA  35   4.856   7.397   7.874
  264   1HB   ALA  35          HB1       ALA  35   6.284   6.377   6.194
  265   2HB   ALA  35          HB2       ALA  35   5.083   5.089   5.895
  266   3HB   ALA  35          HB3       ALA  35   4.714   6.776   5.474
  267    HA   PRO  36           HA       PRO  36   0.692   6.635   8.698
  268   1HB   PRO  36          HB2       PRO  36  -0.660   8.618   7.360
  269   2HB   PRO  36          HB3       PRO  36   0.496   8.925   8.688
  270   1HG   PRO  36          HG2       PRO  36   1.044   8.988   5.699
  271   2HG   PRO  36          HG3       PRO  36   1.422  10.253   6.917
  272   1HD   PRO  36          HD2       PRO  36   3.290   8.453   6.145
  273   2HD   PRO  36          HD3       PRO  36   3.165   8.955   7.856
  274    H    ALA  37           H        ALA  37   1.605   5.580   5.622
  275    HA   ALA  37           HA       ALA  37  -1.064   4.493   5.015
  276   1HB   ALA  37          HB1       ALA  37  -0.984   6.812   4.035
  277   2HB   ALA  37          HB2       ALA  37   0.427   6.320   3.072
  278   3HB   ALA  37          HB3       ALA  37  -1.157   5.542   2.819
  279    H    ALA  38           H        ALA  38  -0.728   3.475   2.614
  280    HA   ALA  38           HA       ALA  38   1.918   2.245   2.226
  281   1HB   ALA  38          HB1       ALA  38   1.000   0.054   1.825
  282   2HB   ALA  38          HB2       ALA  38   0.686   0.547   3.501
  283   3HB   ALA  38          HB3       ALA  38  -0.630   0.602   2.296
  284    H    GLU  39           H        GLU  39   1.261   4.401   0.954
  285    HA   GLU  39           HA       GLU  39  -0.055   3.786  -1.610
  286   1HB   GLU  39          HB2       GLU  39   1.314   6.306  -0.544
  287   2HB   GLU  39          HB3       GLU  39   0.559   6.167  -2.127
  288   1HG   GLU  39          HG2       GLU  39  -0.866   5.972   0.551
  289   2HG   GLU  39          HG3       GLU  39  -0.900   7.332  -0.558
  290    H    SER  40           H        SER  40   1.609   4.951  -3.435
  291    HA   SER  40           HA       SER  40   4.360   4.305  -2.916
  292   1HB   SER  40          HB2       SER  40   3.011   2.894  -5.250
  293   2HB   SER  40          HB3       SER  40   4.703   2.763  -4.757
  294    HG   SER  40           HG       SER  40   3.124   2.217  -2.669
  295    H    LYS  41           H        LYS  41   5.745   5.053  -4.690
  296    HA   LYS  41           HA       LYS  41   4.601   6.789  -6.742
  297   1HB   LYS  41          HB2       LYS  41   5.844   8.795  -6.037
  298   2HB   LYS  41          HB3       LYS  41   4.647   8.320  -4.860
  299   1HG   LYS  41          HG2       LYS  41   6.351   8.856  -3.461
  300   2HG   LYS  41          HG3       LYS  41   6.602   7.128  -3.610
  301   1HD   LYS  41          HD2       LYS  41   8.719   7.951  -3.659
  302   2HD   LYS  41          HD3       LYS  41   8.423   7.714  -5.369
  303   1HE   LYS  41          HE2       LYS  41   8.144  10.377  -3.870
  304   2HE   LYS  41          HE3       LYS  41   9.609   9.841  -4.690
  305   1HZ   LYS  41          HZ1       LYS  41   8.443  11.248  -6.217
  306   2HZ   LYS  41          HZ2       LYS  41   8.292   9.756  -6.780
  307   3HZ   LYS  41          HZ3       LYS  41   7.025  10.469  -5.989
  308    H    GLU  42           H        GLU  42   6.423   7.598  -8.188
  309    HA   GLU  42           HA       GLU  42   8.620   5.581  -8.259
  310   1HB   GLU  42          HB2       GLU  42   7.079   7.100 -10.386
  311   2HB   GLU  42          HB3       GLU  42   8.746   6.634 -10.681
  312   1HG   GLU  42          HG2       GLU  42   7.420   4.956 -11.637
  313   2HG   GLU  42          HG3       GLU  42   8.203   4.263 -10.223
  314    H    ILE  43           H        ILE  43  10.760   6.358  -8.739
  315    HA   ILE  43           HA       ILE  43  11.170   9.290  -8.798
  316    HB   ILE  43           HB       ILE  43  13.194   9.033  -7.409
  317   1HG1  ILE  43          HG12      ILE  43  12.143   6.273  -6.673
  318   2HG1  ILE  43          HG13      ILE  43  13.545   6.575  -7.703
  319   1HG2  ILE  43          HG21      ILE  43  10.983   9.814  -6.528
  320   2HG2  ILE  43          HG22      ILE  43  10.711   8.161  -5.911
  321   3HG2  ILE  43          HG23      ILE  43  12.054   9.154  -5.290
  322   1HD1  ILE  43          HD11      ILE  43  14.704   7.698  -5.830
  323   2HD1  ILE  43          HD12      ILE  43  13.316   7.350  -4.768
  324   3HD1  ILE  43          HD13      ILE  43  14.256   6.021  -5.451
  325    H    VAL  44           H        VAL  44  13.116   9.899  -9.824
  326    HA   VAL  44           HA       VAL  44  14.011   7.952 -11.917
  327    HB   VAL  44           HB       VAL  44  13.573  10.975 -11.945
  328   1HG1  VAL  44          HG11      VAL  44  15.446  10.374 -13.446
  329   2HG1  VAL  44          HG12      VAL  44  14.400   9.194 -14.267
  330   3HG1  VAL  44          HG13      VAL  44  14.027  10.923 -14.341
  331   1HG2  VAL  44          HG21      VAL  44  11.764  10.563 -13.526
  332   2HG2  VAL  44          HG22      VAL  44  12.052   8.814 -13.452
  333   3HG2  VAL  44          HG23      VAL  44  11.443   9.688 -12.030
  334    H    ARG  45           H        ARG  45  16.163   7.437 -11.715
  335    HA   ARG  45           HA       ARG  45  18.051   9.523 -10.767
  336   1HB   ARG  45          HB2       ARG  45  17.989   6.619  -9.803
  337   2HB   ARG  45          HB3       ARG  45  19.342   7.709  -9.552
  338   1HG   ARG  45          HG2       ARG  45  16.564   7.974  -8.359
  339   2HG   ARG  45          HG3       ARG  45  18.032   7.512  -7.526
  340   1HD   ARG  45          HD2       ARG  45  18.529   9.598  -7.010
  341   2HD   ARG  45          HD3       ARG  45  18.598  10.038  -8.707
  342    HE   ARG  45           HE       ARG  45  16.324  10.617  -8.715
  343   1HH1  ARG  45          HH21      ARG  45  17.453   9.906  -5.414
  344   2HH1  ARG  45          HH22      ARG  45  15.975  10.381  -4.663
  345   1HH2  ARG  45          HH11      ARG  45  14.359  11.234  -7.707
  346   2HH2  ARG  45          HH12      ARG  45  14.217  11.239  -5.990
  347    H    GLY  46           H        GLY  46  20.090   9.375 -11.779
  348   1HA   GLY  46          HA2       GLY  46  21.053   7.053 -13.036
  349   2HA   GLY  46          HA3       GLY  46  20.386   8.111 -14.290
  350    H    TYR  47           H        TYR  47  23.239   7.334 -13.540
  351    HA   TYR  47           HA       TYR  47  24.403  10.031 -13.500
  352   1HB   TYR  47          HB2       TYR  47  25.202   7.964 -11.428
  353   2HB   TYR  47          HB3       TYR  47  25.812   9.602 -11.587
  354    HD1  TYR  47           HD1      TYR  47  23.075   7.482 -10.402
  355    HD2  TYR  47           HD2      TYR  47  24.479  11.536 -10.759
  356    HE1  TYR  47           HE1      TYR  47  21.410   8.197  -8.699
  357    HE2  TYR  47           HE2      TYR  47  22.812  12.272  -9.086
  358    HH   TYR  47           HH       TYR  47  21.127  11.626  -7.643
  359    H    LYS  48           H        LYS  48  26.625  10.001 -14.256
  360    HA   LYS  48           HA       LYS  48  27.209   7.933 -16.071
  361   1HB   LYS  48          HB2       LYS  48  28.092  10.331 -16.017
  362   2HB   LYS  48          HB3       LYS  48  29.225   9.819 -14.767
  363   1HG   LYS  48          HG2       LYS  48  30.287   9.911 -16.955
  364   2HG   LYS  48          HG3       LYS  48  30.277   8.240 -16.382
  365   1HD   LYS  48          HD2       LYS  48  28.468   7.652 -17.881
  366   2HD   LYS  48          HD3       LYS  48  28.147   9.363 -18.249
  367   1HE   LYS  48          HE2       LYS  48  30.338   9.556 -19.352
  368   2HE   LYS  48          HE3       LYS  48  30.701   7.863 -18.981
  369   1HZ   LYS  48          HZ1       LYS  48  28.368   8.715 -20.599
  370   2HZ   LYS  48          HZ2       LYS  48  29.810   8.264 -21.255
  371   3HZ   LYS  48          HZ3       LYS  48  28.924   7.185 -20.410
  372    H    TRP  49           H        TRP  49  28.096   8.190 -12.615
  373    HA   TRP  49           HA       TRP  49  30.050   6.114 -12.710
  374   1HB   TRP  49          HB2       TRP  49  29.686   5.972 -10.237
  375   2HB   TRP  49          HB3       TRP  49  30.205   7.507 -10.885
  376    HD1  TRP  49           HD1      TRP  49  29.003   9.559 -10.074
  377    HE1  TRP  49           HE1      TRP  49  26.945  10.085  -8.671
  378    HE3  TRP  49           HE3      TRP  49  26.988   4.850  -9.788
  379    HZ2  TRP  49           HZ2      TRP  49  24.665   8.651  -7.583
  380    HZ3  TRP  49           HZ3      TRP  49  24.818   4.496  -8.695
  381    HH2  TRP  49           HH2      TRP  49  23.610   6.389  -7.612
  382    H    ALA  50           H        ALA  50  26.496   5.914 -12.674
  383    HA   ALA  50           HA       ALA  50  26.619   3.036 -12.070
  384   1HB   ALA  50          HB1       ALA  50  24.755   4.199 -11.132
  385   2HB   ALA  50          HB2       ALA  50  24.263   4.823 -12.735
  386   3HB   ALA  50          HB3       ALA  50  24.219   3.072 -12.380
  387    H    GLU  51           H        GLU  51  28.135   2.701 -13.850
  388    HA   GLU  51           HA       GLU  51  27.367   3.012 -16.583
  389   1HB   GLU  51          HB2       GLU  51  29.276   1.002 -15.288
  390   2HB   GLU  51          HB3       GLU  51  29.174   1.349 -17.019
  391   1HG   GLU  51          HG2       GLU  51  29.760   3.740 -16.531
  392   2HG   GLU  51          HG3       GLU  51  29.998   3.299 -14.835
  393    H    TYR  52           H        TYR  52  25.900   1.064 -14.251
  394    HA   TYR  52           HA       TYR  52  24.479  -0.460 -16.277
  395   1HB   TYR  52          HB2       TYR  52  24.566  -2.472 -14.613
  396   2HB   TYR  52          HB3       TYR  52  25.787  -2.251 -15.850
  397    HD1  TYR  52           HD1      TYR  52  25.229  -2.622 -12.296
  398    HD2  TYR  52           HD2      TYR  52  27.989  -1.188 -15.261
  399    HE1  TYR  52           HE1      TYR  52  27.051  -2.738 -10.624
  400    HE2  TYR  52           HE2      TYR  52  29.843  -1.276 -13.595
  401    HH   TYR  52           HH       TYR  52  29.317  -2.376 -10.207
  402    H    HIS  53           H        HIS  53  22.338  -0.623 -15.698
  403    HA   HIS  53           HA       HIS  53  21.273   1.240 -13.920
  404   1HB   HIS  53          HB2       HIS  53  19.705  -1.208 -14.773
  405   2HB   HIS  53          HB3       HIS  53  19.140   0.445 -14.555
  406    HD1  HIS  53           HD1      HIS  53  19.343   2.028 -16.754
  407    HD2  HIS  53           HD2      HIS  53  21.147  -1.777 -17.004
  408    HE1  HIS  53           HE1      HIS  53  20.109   1.723 -19.179
  409    H    ALA  54           H        ALA  54  22.001  -2.197 -13.372
  410    HA   ALA  54           HA       ALA  54  20.593  -2.547 -10.945
  411   1HB   ALA  54          HB1       ALA  54  21.633  -4.403 -12.208
  412   2HB   ALA  54          HB2       ALA  54  23.249  -3.783 -11.796
  413   3HB   ALA  54          HB3       ALA  54  22.177  -4.382 -10.518
  414    H    ASP  55           H        ASP  55  23.616  -0.753 -11.579
  415    HA   ASP  55           HA       ASP  55  24.560  -0.777  -8.872
  416   1HB   ASP  55          HB2       ASP  55  25.866  -0.061 -10.999
  417   2HB   ASP  55          HB3       ASP  55  25.021   1.457 -10.882
  418    H    ILE  56           H        ILE  56  22.564   1.559 -10.745
  419    HA   ILE  56           HA       ILE  56  22.153   3.280  -8.462
  420    HB   ILE  56           HB       ILE  56  20.044   3.923 -10.049
  421   1HG1  ILE  56          HG12      ILE  56  22.058   2.750 -11.982
  422   2HG1  ILE  56          HG13      ILE  56  20.309   2.524 -11.876
  423   1HG2  ILE  56          HG21      ILE  56  22.840   5.017 -10.295
  424   2HG2  ILE  56          HG22      ILE  56  21.313   5.858 -10.667
  425   3HG2  ILE  56          HG23      ILE  56  21.660   5.382  -9.013
  426   1HD1  ILE  56          HD11      ILE  56  20.056   4.915 -12.605
  427   2HD1  ILE  56          HD12      ILE  56  21.825   4.959 -12.850
  428   3HD1  ILE  56          HD13      ILE  56  20.831   3.843 -13.794
  429    H    TYR  57           H        TYR  57  20.238   0.536  -9.905
  430    HA   TYR  57           HA       TYR  57  18.010   0.969  -8.216
  431   1HB   TYR  57          HB2       TYR  57  17.861  -0.645 -10.017
  432   2HB   TYR  57          HB3       TYR  57  19.137  -1.631  -9.305
  433    HD1  TYR  57           HD1      TYR  57  18.327  -3.631  -8.375
  434    HD2  TYR  57           HD2      TYR  57  15.954  -0.044  -7.974
  435    HE1  TYR  57           HE1      TYR  57  16.718  -4.850  -6.947
  436    HE2  TYR  57           HE2      TYR  57  14.373  -1.235  -6.529
  437    HH   TYR  57           HH       TYR  57  13.875  -3.267  -5.421
  438    H    ASP  58           H        ASP  58  21.008  -0.972  -7.569
  439    HA   ASP  58           HA       ASP  58  20.223  -1.758  -4.956
  440   1HB   ASP  58          HB2       ASP  58  22.004  -2.890  -6.167
  441   2HB   ASP  58          HB3       ASP  58  22.984  -1.419  -6.181
  442    H    LYS  59           H        LYS  59  22.320   0.986  -6.040
  443    HA   LYS  59           HA       LYS  59  22.934   1.964  -3.451
  444   1HB   LYS  59          HB2       LYS  59  24.193   2.570  -5.377
  445   2HB   LYS  59          HB3       LYS  59  22.802   3.314  -6.171
  446   1HG   LYS  59          HG2       LYS  59  22.893   5.240  -4.930
  447   2HG   LYS  59          HG3       LYS  59  23.559   4.438  -3.486
  448   1HD   LYS  59          HD2       LYS  59  25.737   4.246  -4.457
  449   2HD   LYS  59          HD3       LYS  59  25.159   4.791  -6.039
  450   1HE   LYS  59          HE2       LYS  59  24.545   7.006  -5.004
  451   2HE   LYS  59          HE3       LYS  59  25.257   6.457  -3.481
  452   1HZ   LYS  59          HZ1       LYS  59  26.815   7.779  -4.763
  453   2HZ   LYS  59          HZ2       LYS  59  27.388   6.260  -4.639
  454   3HZ   LYS  59          HZ3       LYS  59  26.715   6.772  -6.045
  455    H    VAL  60           H        VAL  60  20.298   2.947  -5.706
  456    HA   VAL  60           HA       VAL  60  19.308   4.980  -3.951
  457    HB   VAL  60           HB       VAL  60  18.003   3.626  -6.324
  458   1HG1  VAL  60          HG11      VAL  60  17.330   6.223  -4.846
  459   2HG1  VAL  60          HG12      VAL  60  16.545   5.631  -6.334
  460   3HG1  VAL  60          HG13      VAL  60  16.362   4.756  -4.799
  461   1HG2  VAL  60          HG21      VAL  60  20.218   4.887  -6.744
  462   2HG2  VAL  60          HG22      VAL  60  18.813   5.477  -7.605
  463   3HG2  VAL  60          HG23      VAL  60  19.413   6.330  -6.146
  464    H    SER  61           H        SER  61  18.271   1.522  -4.548
  465    HA   SER  61           HA       SER  61  16.145   1.672  -2.654
  466   1HB   SER  61          HB2       SER  61  17.793  -0.765  -3.422
  467   2HB   SER  61          HB3       SER  61  16.194  -0.753  -2.647
  468    HG   SER  61           HG       SER  61  16.964  -0.058  -5.243
  469    H    GLY  62           H        GLY  62  19.669   1.249  -2.200
  470   1HA   GLY  62          HA2       GLY  62  19.646   0.466   0.530
  471   2HA   GLY  62          HA3       GLY  62  20.914   1.391  -0.301
  472    H    ASP  63           H        ASP  63  19.781   3.791  -0.963
  473    HA   ASP  63           HA       ASP  63  19.606   5.136   1.547
  474   1HB   ASP  63          HB2       ASP  63  20.388   6.268  -0.501
  475   2HB   ASP  63          HB3       ASP  63  18.762   6.167  -1.189
  476    H    MET  64           H        MET  64  17.011   4.323  -0.878
  477    HA   MET  64           HA       MET  64  14.883   5.413   0.616
  478   1HB   MET  64          HB2       MET  64  14.883   2.896  -1.107
  479   2HB   MET  64          HB3       MET  64  13.463   3.800  -0.596
  480   1HG   MET  64          HG2       MET  64  15.564   4.961  -2.427
  481   2HG   MET  64          HG3       MET  64  14.036   4.248  -2.912
  482   1HE   MET  64          HE1       MET  64  15.841   7.405  -2.369
  483   2HE   MET  64          HE2       MET  64  14.806   8.445  -1.364
  484   3HE   MET  64          HE3       MET  64  15.621   7.054  -0.639
  485    H    GLN  65           H        GLN  65  16.288   2.060   0.933
  486    HA   GLN  65           HA       GLN  65  14.463   1.308   2.991
  487   1HB   GLN  65          HB2       GLN  65  17.163   0.338   2.033
  488   2HB   GLN  65          HB3       GLN  65  16.409  -0.394   3.452
  489   1HG   GLN  65          HG2       GLN  65  14.486  -1.115   2.196
  490   2HG   GLN  65          HG3       GLN  65  15.007  -0.231   0.756
  491   1HE2  GLN  65          HE22      GLN  65  17.275  -0.860  -0.038
  492   2HE2  GLN  65          HE21      GLN  65  17.663  -2.579  -0.059
  493    H    LYS  66           H        LYS  66  17.637   3.017   3.113
  494    HA   LYS  66           HA       LYS  66  17.874   3.000   5.962
  495   1HB   LYS  66          HB2       LYS  66  19.719   3.487   4.517
  496   2HB   LYS  66          HB3       LYS  66  18.874   4.823   3.752
  497   1HG   LYS  66          HG2       LYS  66  18.991   6.161   5.784
  498   2HG   LYS  66          HG3       LYS  66  19.721   4.800   6.660
  499   1HD   LYS  66          HD2       LYS  66  21.506   6.310   5.992
  500   2HD   LYS  66          HD3       LYS  66  21.618   4.804   5.069
  501   1HE   LYS  66          HE2       LYS  66  22.104   6.653   3.600
  502   2HE   LYS  66          HE3       LYS  66  20.612   5.867   3.109
  503   1HZ   LYS  66          HZ1       LYS  66  20.249   8.139   2.980
  504   2HZ   LYS  66          HZ2       LYS  66  19.438   7.711   4.330
  505   3HZ   LYS  66          HZ3       LYS  66  20.887   8.473   4.465
  506    H    GLN  67           H        GLN  67  16.077   5.193   3.706
  507    HA   GLN  67           HA       GLN  67  15.035   6.822   5.860
  508   1HB   GLN  67          HB2       GLN  67  13.796   6.342   3.118
  509   2HB   GLN  67          HB3       GLN  67  13.357   7.592   4.290
  510   1HG   GLN  67          HG2       GLN  67  15.789   8.417   4.139
  511   2HG   GLN  67          HG3       GLN  67  15.986   7.304   2.785
  512   1HE2  GLN  67          HE22      GLN  67  16.269   8.712   1.039
  513   2HE2  GLN  67          HE21      GLN  67  15.100   9.958   0.641
  514    H    GLY  68           H        GLY  68  14.030   3.782   4.382
  515   1HA   GLY  68          HA2       GLY  68  13.280   2.237   6.261
  516   2HA   GLY  68          HA3       GLY  68  11.943   3.359   6.484
  517    H    CYS  69           H        CYS  69  12.519   3.396   3.211
  518    HA   CYS  69           HA       CYS  69   9.958   2.317   2.629
  519   1HB   CYS  69          HB2       CYS  69  12.272   2.954   0.794
  520   2HB   CYS  69          HB3       CYS  69  10.573   2.924   0.330
  521    HG   CYS  69           HG       CYS  69  11.406   5.394   0.375
  522    H    ASP  70           H        ASP  70   9.798   0.940   0.534
  523    HA   ASP  70           HA       ASP  70  11.739  -1.259   0.279
  524   1HB   ASP  70          HB2       ASP  70   9.885  -2.233   1.587
  525   2HB   ASP  70          HB3       ASP  70   8.710  -1.588   0.434
  526    H    CYS  71           H        CYS  71  11.946  -1.755  -2.035
  527    HA   CYS  71           HA       CYS  71  10.459   0.056  -3.841
  528   1HB   CYS  71          HB2       CYS  71  13.513   0.036  -3.652
  529   2HB   CYS  71          HB3       CYS  71  12.499   1.057  -4.677
  530    HG   CYS  71           HG       CYS  71  11.140   1.705  -2.234
  531    H    GLU  72           H        GLU  72  11.023  -0.235  -6.160
  532    HA   GLU  72           HA       GLU  72  12.214  -2.818  -6.937
  533   1HB   GLU  72          HB2       GLU  72   9.877  -3.368  -6.385
  534   2HB   GLU  72          HB3       GLU  72   9.302  -1.959  -7.274
  535   1HG   GLU  72          HG2       GLU  72   8.868  -3.846  -8.616
  536   2HG   GLU  72          HG3       GLU  72  10.172  -2.957  -9.385
  537    H    CYS  73           H        CYS  73  13.314  -2.435  -8.884
  538    HA   CYS  73           HA       CYS  73  13.010   0.117 -10.291
  539   1HB   CYS  73          HB2       CYS  73  14.577  -1.041 -11.941
  540   2HB   CYS  73          HB3       CYS  73  15.228  -0.696 -10.339
  541    HG   CYS  73           HG       CYS  73  13.819  -3.512 -11.318
  542    H    LEU  74           H        LEU  74  11.246   0.429 -11.530
  543    HA   LEU  74           HA       LEU  74   9.561  -1.755 -12.467
  544   1HB   LEU  74          HB2       LEU  74   9.626   1.206 -13.203
  545   2HB   LEU  74          HB3       LEU  74   8.378   0.059 -13.681
  546    HG   LEU  74           HG       LEU  74   8.988   0.989 -10.846
  547   1HD1  LEU  74          HD11      LEU  74   6.761   1.995 -10.981
  548   2HD1  LEU  74          HD12      LEU  74   7.791   2.600 -12.290
  549   3HD1  LEU  74          HD13      LEU  74   6.549   1.379 -12.633
  550   1HD2  LEU  74          HD21      LEU  74   6.926  -0.309 -10.206
  551   2HD2  LEU  74          HD22      LEU  74   6.949  -1.067 -11.811
  552   3HD2  LEU  74          HD23      LEU  74   8.285  -1.332 -10.663
  553    H    GLY  75           H        GLY  75  12.280   0.099 -13.721
  554   1HA   GLY  75          HA2       GLY  75  13.154  -1.716 -15.596
  555   2HA   GLY  75          HA3       GLY  75  12.073  -0.626 -16.484
  556    H    GLY  76           H        GLY  76  14.233  -0.052 -17.548
  557   1HA   GLY  76          HA2       GLY  76  14.961   2.539 -16.553
  558   2HA   GLY  76          HA3       GLY  76  16.311   1.401 -16.398
  559    H    GLY  77           H        GLY  77  17.218   3.025 -17.976
  560   1HA   GLY  77          HA2       GLY  77  17.249   2.091 -20.675
  561   2HA   GLY  77          HA3       GLY  77  16.214   3.525 -20.525
  562    H    ARG  78           H        ARG  78  17.833   4.666 -21.841
  563    HA   ARG  78           HA       ARG  78  20.190   5.530 -20.250
  564   1HB   ARG  78          HB2       ARG  78  20.754   3.920 -22.138
  565   2HB   ARG  78          HB3       ARG  78  20.183   5.158 -23.271
  566   1HG   ARG  78          HG2       ARG  78  21.951   6.702 -22.477
  567   2HG   ARG  78          HG3       ARG  78  22.399   5.547 -21.208
  568   1HD   ARG  78          HD2       ARG  78  24.008   5.442 -23.001
  569   2HD   ARG  78          HD3       ARG  78  23.129   3.924 -22.861
  570    HE   ARG  78           HE       ARG  78  22.485   6.050 -24.886
  571   1HH1  ARG  78          HH21      ARG  78  22.964   2.581 -24.183
  572   2HH1  ARG  78          HH22      ARG  78  22.505   2.084 -25.787
  573   1HH2  ARG  78          HH11      ARG  78  21.987   5.381 -26.952
  574   2HH2  ARG  78          HH12      ARG  78  21.981   3.677 -27.386
  575    H    ILE  79           H        ILE  79  20.870   7.711 -20.751
  576    HA   ILE  79           HA       ILE  79  18.690   9.422 -21.767
  577    HB   ILE  79           HB       ILE  79  20.261   9.665 -19.168
  578   1HG1  ILE  79          HG12      ILE  79  17.310   9.421 -19.887
  579   2HG1  ILE  79          HG13      ILE  79  18.287   8.235 -19.034
  580   1HG2  ILE  79          HG21      ILE  79  20.186  11.909 -20.237
  581   2HG2  ILE  79          HG22      ILE  79  18.433  11.731 -20.504
  582   3HG2  ILE  79          HG23      ILE  79  19.101  11.881 -18.869
  583   1HD1  ILE  79          HD11      ILE  79  17.314  10.908 -17.954
  584   2HD1  ILE  79          HD12      ILE  79  16.841   9.290 -17.446
  585   3HD1  ILE  79          HD13      ILE  79  18.490   9.863 -17.116
  586    H    SER  80           H        SER  80  19.400  11.306 -22.771
  587    HA   SER  80           HA       SER  80  22.248  11.817 -23.191
  588   1HB   SER  80          HB2       SER  80  20.387  11.056 -25.493
  589   2HB   SER  80          HB3       SER  80  22.055  11.638 -25.652
  590    HG   SER  80           HG       SER  80  22.043   9.621 -23.920
  591    H    HIS  81           H        HIS  81  22.426  13.851 -24.616
  592    HA   HIS  81           HA       HIS  81  20.194  15.751 -24.079
  593   1HB   HIS  81          HB2       HIS  81  21.709  16.096 -22.262
  594   2HB   HIS  81          HB3       HIS  81  23.117  15.838 -23.276
  595    HD1  HIS  81           HD1      HIS  81  24.313  17.949 -24.118
  596    HD2  HIS  81           HD2      HIS  81  20.314  18.591 -22.965
  597    HE1  HIS  81           HE1      HIS  81  23.909  20.449 -24.295
  598    H    GLN  82           H        GLN  82  20.094  17.485 -25.567
  599    HA   GLN  82           HA       GLN  82  22.135  17.693 -27.656
  600   1HB   GLN  82          HB2       GLN  82  20.543  17.696 -29.484
  601   2HB   GLN  82          HB3       GLN  82  20.482  16.176 -28.615
  602   1HG   GLN  82          HG2       GLN  82  18.268  16.468 -28.885
  603   2HG   GLN  82          HG3       GLN  82  18.407  17.312 -27.355
  604   1HE2  GLN  82          HE22      GLN  82  16.349  17.634 -29.472
  605   2HE2  GLN  82          HE21      GLN  82  16.450  19.293 -30.004
  606    H    SER  83           H        SER  83  22.339  19.784 -28.425
  607    HA   SER  83           HA       SER  83  20.996  21.860 -26.804
  608   1HB   SER  83          HB2       SER  83  23.212  23.061 -27.328
  609   2HB   SER  83          HB3       SER  83  23.255  21.685 -26.220
  610    HG   SER  83           HG       SER  83  24.921  21.596 -27.798
  611    H    GLN  84           H        GLN  84  20.581  20.672 -29.817
  612    HA   GLN  84           HA       GLN  84  20.697  23.068 -31.464
  613   1HB   GLN  84          HB2       GLN  84  19.142  20.456 -31.778
  614   2HB   GLN  84          HB3       GLN  84  19.264  21.730 -32.995
  615   1HG   GLN  84          HG2       GLN  84  21.735  21.423 -33.074
  616   2HG   GLN  84          HG3       GLN  84  21.607  20.108 -31.901
  617   1HE2  GLN  84          HE22      GLN  84  21.010  21.051 -35.270
  618   2HE2  GLN  84          HE21      GLN  84  20.625  19.450 -35.847
  619    H    ASP  85           H        ASP  85  18.325  21.456 -29.352
  620    HA   ASP  85           HA       ASP  85  16.716  23.947 -29.277
  621   1HB   ASP  85          HB2       ASP  85  15.750  22.346 -30.974
  622   2HB   ASP  85          HB3       ASP  85  15.513  21.179 -29.673
  623    H    LYS  86           H        LYS  86  18.671  22.676 -27.514
  624    HA   LYS  86           HA       LYS  86  19.023  21.844 -25.405
  625   1HB   LYS  86          HB2       LYS  86  17.334  24.331 -25.183
  626   2HB   LYS  86          HB3       LYS  86  17.802  23.501 -23.719
  627   1HG   LYS  86          HG2       LYS  86  19.739  24.557 -25.819
  628   2HG   LYS  86          HG3       LYS  86  19.346  25.328 -24.286
  629   1HD   LYS  86          HD2       LYS  86  20.866  22.717 -24.678
  630   2HD   LYS  86          HD3       LYS  86  21.483  24.247 -24.057
  631   1HE   LYS  86          HE2       LYS  86  20.041  24.052 -22.059
  632   2HE   LYS  86          HE3       LYS  86  19.323  22.569 -22.703
  633   1HZ   LYS  86          HZ1       LYS  86  20.901  21.944 -21.158
  634   2HZ   LYS  86          HZ2       LYS  86  21.533  21.553 -22.604
  635   3HZ   LYS  86          HZ3       LYS  86  22.110  22.878 -21.800
  636    H    LYS  87           H        LYS  87  18.170  19.765 -25.646
  637    HA   LYS  87           HA       LYS  87  15.814  19.305 -23.908
  638   1HB   LYS  87          HB2       LYS  87  16.100  18.528 -26.815
  639   2HB   LYS  87          HB3       LYS  87  15.296  17.396 -25.722
  640   1HG   LYS  87          HG2       LYS  87  13.648  18.992 -25.070
  641   2HG   LYS  87          HG3       LYS  87  14.487  20.312 -25.901
  642   1HD   LYS  87          HD2       LYS  87  14.017  19.329 -28.086
  643   2HD   LYS  87          HD3       LYS  87  13.336  17.880 -27.328
  644   1HE   LYS  87          HE2       LYS  87  11.516  19.355 -28.050
  645   2HE   LYS  87          HE3       LYS  87  11.550  19.221 -26.290
  646   1HZ   LYS  87          HZ1       LYS  87  12.400  21.514 -27.944
  647   2HZ   LYS  87          HZ2       LYS  87  11.272  21.460 -26.705
  648   3HZ   LYS  87          HZ3       LYS  87  12.872  21.376 -26.385
  649    H    ILE  88           H        ILE  88  15.692  17.319 -23.004
  650    HA   ILE  88           HA       ILE  88  18.129  15.596 -23.033
  651    HB   ILE  88           HB       ILE  88  15.894  15.949 -20.987
  652   1HG1  ILE  88          HG12      ILE  88  17.403  17.849 -20.934
  653   2HG1  ILE  88          HG13      ILE  88  17.530  16.890 -19.472
  654   1HG2  ILE  88          HG21      ILE  88  16.602  13.638 -20.879
  655   2HG2  ILE  88          HG22      ILE  88  18.315  14.111 -20.894
  656   3HG2  ILE  88          HG23      ILE  88  17.287  14.488 -19.494
  657   1HD1  ILE  88          HD11      ILE  88  19.511  16.804 -21.787
  658   2HD1  ILE  88          HD12      ILE  88  19.723  17.701 -20.277
  659   3HD1  ILE  88          HD13      ILE  88  19.667  15.929 -20.245
  660    H    HIS  89           H        HIS  89  17.664  13.290 -23.273
  661    HA   HIS  89           HA       HIS  89  14.964  12.638 -24.331
  662   1HB   HIS  89          HB2       HIS  89  16.699  13.143 -26.150
  663   2HB   HIS  89          HB3       HIS  89  17.558  11.701 -25.604
  664    HD1  HIS  89           HD1      HIS  89  14.038  12.672 -26.922
  665    HD2  HIS  89           HD2      HIS  89  16.800   9.502 -26.852
  666    HE1  HIS  89           HE1      HIS  89  13.029  10.800 -28.351
  667    H    VAL  90           H        VAL  90  14.249  10.632 -23.624
  668    HA   VAL  90           HA       VAL  90  16.119   8.943 -22.016
  669    HB   VAL  90           HB       VAL  90  13.156   9.376 -21.468
  670   1HG1  VAL  90          HG11      VAL  90  13.636   8.299 -19.351
  671   2HG1  VAL  90          HG12      VAL  90  14.285   7.284 -20.646
  672   3HG1  VAL  90          HG13      VAL  90  15.376   8.281 -19.682
  673   1HG2  VAL  90          HG21      VAL  90  14.142  11.553 -21.061
  674   2HG2  VAL  90          HG22      VAL  90  13.839  10.775 -19.511
  675   3HG2  VAL  90          HG23      VAL  90  15.491  10.834 -20.160
  676    H    TYR  91           H        TYR  91  16.258   6.863 -22.890
  677    HA   TYR  91           HA       TYR  91  14.051   5.773 -24.497
  678   1HB   TYR  91          HB2       TYR  91  15.281   5.852 -26.583
  679   2HB   TYR  91          HB3       TYR  91  15.119   7.470 -25.974
  680    HD1  TYR  91           HD1      TYR  91  17.377   5.138 -27.348
  681    HD2  TYR  91           HD2      TYR  91  17.215   8.374 -24.499
  682    HE1  TYR  91           HE1      TYR  91  19.809   5.420 -27.533
  683    HE2  TYR  91           HE2      TYR  91  19.632   8.622 -24.619
  684    HH   TYR  91           HH       TYR  91  21.549   8.065 -25.768
  685    H    GLY  92           H        GLY  92  15.141   3.798 -25.837
  686   1HA   GLY  92          HA2       GLY  92  16.339   1.826 -25.813
  687   2HA   GLY  92          HA3       GLY  92  17.365   2.477 -24.529
  688    H    TYR  93           H        TYR  93  17.237   0.318 -23.605
  689    HA   TYR  93           HA       TYR  93  15.033   0.074 -21.699
  690   1HB   TYR  93          HB2       TYR  93  14.794  -2.344 -22.156
  691   2HB   TYR  93          HB3       TYR  93  14.242  -1.363 -23.499
  692    HD1  TYR  93           HD1      TYR  93  16.655  -3.890 -22.379
  693    HD2  TYR  93           HD2      TYR  93  15.549  -1.283 -25.637
  694    HE1  TYR  93           HE1      TYR  93  18.064  -5.220 -23.915
  695    HE2  TYR  93           HE2      TYR  93  16.948  -2.607 -27.180
  696    HH   TYR  93           HH       TYR  93  18.335  -4.472 -27.422
  697    H    SER  94           H        SER  94  15.733  -1.093 -19.784
  698    HA   SER  94           HA       SER  94  18.539  -0.782 -19.339
  699   1HB   SER  94          HB2       SER  94  18.144  -1.725 -17.119
  700   2HB   SER  94          HB3       SER  94  16.997  -0.449 -17.508
  701    HG   SER  94           HG       SER  94  15.436  -2.065 -17.942
  702    H    MET  95           H        MET  95  20.156  -2.251 -19.058
  703    HA   MET  95           HA       MET  95  20.275  -4.547 -20.620
  704   1HB   MET  95          HB2       MET  95  22.154  -3.164 -19.696
  705   2HB   MET  95          HB3       MET  95  21.893  -3.917 -18.116
  706   1HG   MET  95          HG2       MET  95  22.492  -6.114 -19.051
  707   2HG   MET  95          HG3       MET  95  22.592  -5.416 -20.668
  708   1HE   MET  95          HE1       MET  95  24.241  -5.805 -17.149
  709   2HE   MET  95          HE2       MET  95  25.653  -4.731 -17.240
  710   3HE   MET  95          HE3       MET  95  24.022  -4.038 -17.149
  711    H    ALA  96           H        ALA  96  18.833  -4.288 -17.407
  712    HA   ALA  96           HA       ALA  96  18.785  -7.268 -17.181
  713   1HB   ALA  96          HB1       ALA  96  19.245  -5.218 -14.982
  714   2HB   ALA  96          HB2       ALA  96  19.159  -6.978 -14.774
  715   3HB   ALA  96          HB3       ALA  96  20.483  -6.266 -15.714
  716    H    TYR  97           H        TYR  97  16.742  -4.392 -17.100
  717    HA   TYR  97           HA       TYR  97  14.586  -6.021 -15.842
  718   1HB   TYR  97          HB2       TYR  97  15.081  -3.078 -15.322
  719   2HB   TYR  97          HB3       TYR  97  13.939  -4.136 -14.519
  720    HD1  TYR  97           HD1      TYR  97  17.176  -2.670 -14.323
  721    HD2  TYR  97           HD2      TYR  97  14.977  -6.223 -13.249
  722    HE1  TYR  97           HE1      TYR  97  18.863  -3.179 -12.587
  723    HE2  TYR  97           HE2      TYR  97  16.664  -6.751 -11.514
  724    HH   TYR  97           HH       TYR  97  19.531  -4.680 -10.907
  725    H    GLY  98           H        GLY  98  15.421  -4.626 -18.713
  726   1HA   GLY  98          HA2       GLY  98  14.109  -4.309 -20.589
  727   2HA   GLY  98          HA3       GLY  98  12.655  -4.562 -19.618
  728    HA   PRO  99           HA       PRO  99  13.185  -0.028 -20.665
  729   1HB   PRO  99          HB2       PRO  99  10.829   0.404 -21.998
  730   2HB   PRO  99          HB3       PRO  99  12.300  -0.223 -22.794
  731   1HG   PRO  99          HG2       PRO  99   9.914  -1.786 -21.780
  732   2HG   PRO  99          HG3       PRO  99  10.777  -1.963 -23.339
  733   1HD   PRO  99          HD2       PRO  99  11.250  -3.582 -21.172
  734   2HD   PRO  99          HD3       PRO  99  12.536  -3.148 -22.334
  735    H    ALA 100           H        ALA 100  12.531   1.508 -19.287
  736    HA   ALA 100           HA       ALA 100  10.500   1.014 -17.227
  737   1HB   ALA 100          HB1       ALA 100  12.506   2.352 -16.702
  738   2HB   ALA 100          HB2       ALA 100  12.185   3.393 -18.094
  739   3HB   ALA 100          HB3       ALA 100  11.114   3.427 -16.682
  740    H    GLN 101           H        GLN 101   8.856   2.817 -16.907
  741    HA   GLN 101           HA       GLN 101   7.354   3.462 -19.361
  742   1HB   GLN 101          HB2       GLN 101   6.920   4.004 -16.385
  743   2HB   GLN 101          HB3       GLN 101   5.904   4.706 -17.653
  744   1HG   GLN 101          HG2       GLN 101   5.205   2.540 -18.432
  745   2HG   GLN 101          HG3       GLN 101   6.305   1.714 -17.313
  746   1HE2  GLN 101          HE22      GLN 101   3.387   3.835 -17.453
  747   2HE2  GLN 101          HE21      GLN 101   2.772   3.366 -15.890
  748    H    HIS 102           H        HIS 102   9.372   4.566 -20.219
  749    HA   HIS 102           HA       HIS 102  10.614   6.722 -18.982
  750   1HB   HIS 102          HB2       HIS 102  10.173   6.305 -21.949
  751   2HB   HIS 102          HB3       HIS 102  11.405   7.343 -21.237
  752    HD1  HIS 102           HD1      HIS 102  11.061   3.870 -22.485
  753    HD2  HIS 102           HD2      HIS 102  13.054   5.837 -19.354
  754    HE1  HIS 102           HE1      HIS 102  12.873   2.282 -21.640
  755    H    ALA 103           H        ALA 103   7.417   6.763 -20.377
  756    HA   ALA 103           HA       ALA 103   7.058   9.532 -20.823
  757   1HB   ALA 103          HB1       ALA 103   5.395   7.860 -21.451
  758   2HB   ALA 103          HB2       ALA 103   5.133   7.423 -19.743
  759   3HB   ALA 103          HB3       ALA 103   4.673   9.035 -20.339
  760    H    ILE 104           H        ILE 104   7.180   7.631 -17.783
  761    HA   ILE 104           HA       ILE 104   6.288   9.720 -16.012
  762    HB   ILE 104           HB       ILE 104   8.120   7.318 -15.533
  763   1HG1  ILE 104          HG12      ILE 104   5.808   6.701 -16.316
  764   2HG1  ILE 104          HG13      ILE 104   6.239   6.097 -14.724
  765   1HG2  ILE 104          HG21      ILE 104   8.520   8.806 -13.743
  766   2HG2  ILE 104          HG22      ILE 104   6.801   9.219 -13.570
  767   3HG2  ILE 104          HG23      ILE 104   7.385   7.603 -13.114
  768   1HD1  ILE 104          HD11      ILE 104   4.885   7.738 -13.620
  769   2HD1  ILE 104          HD12      ILE 104   4.599   8.637 -15.138
  770   3HD1  ILE 104          HD13      ILE 104   3.908   7.005 -14.902
  771    H    SER 105           H        SER 105   9.522   8.629 -17.205
  772    HA   SER 105           HA       SER 105  11.062  10.408 -15.715
  773   1HB   SER 105          HB2       SER 105  11.614   9.408 -18.534
  774   2HB   SER 105          HB3       SER 105  12.780   9.938 -17.328
  775    HG   SER 105           HG       SER 105  12.546   7.647 -17.333
  776    H    THR 106           H        THR 106   9.732  10.862 -19.075
  777    HA   THR 106           HA       THR 106  10.656  13.526 -19.321
  778    HB   THR 106           HB       THR 106   8.623  13.760 -20.903
  779    HG1  THR 106           HG1      THR 106   7.469  11.897 -20.066
  780   1HG2  THR 106          HG21      THR 106  10.705  13.475 -21.870
  781   2HG2  THR 106          HG22      THR 106  10.881  11.791 -21.308
  782   3HG2  THR 106          HG23      THR 106   9.715  12.213 -22.588
  783    H    GLU 107           H        GLU 107   7.523  12.370 -17.887
  784    HA   GLU 107           HA       GLU 107   6.500  14.981 -17.488
  785   1HB   GLU 107          HB2       GLU 107   5.973  12.263 -16.168
  786   2HB   GLU 107          HB3       GLU 107   5.165  13.718 -15.602
  787   1HG   GLU 107          HG2       GLU 107   5.068  12.765 -18.495
  788   2HG   GLU 107          HG3       GLU 107   3.872  12.353 -17.273
  789    H    LYS 108           H        LYS 108   8.403  12.872 -15.283
  790    HA   LYS 108           HA       LYS 108   8.331  14.792 -13.134
  791   1HB   LYS 108          HB2       LYS 108  10.029  12.305 -13.632
  792   2HB   LYS 108          HB3       LYS 108  10.079  13.284 -12.156
  793   1HG   LYS 108          HG2       LYS 108   7.670  12.941 -11.803
  794   2HG   LYS 108          HG3       LYS 108   7.613  11.840 -13.184
  795   1HD   LYS 108          HD2       LYS 108   9.131  10.285 -12.118
  796   2HD   LYS 108          HD3       LYS 108   9.494  11.408 -10.812
  797   1HE   LYS 108          HE2       LYS 108   6.748  10.187 -11.344
  798   2HE   LYS 108          HE3       LYS 108   7.914   9.602 -10.146
  799   1HZ   LYS 108          HZ1       LYS 108   7.793  11.758  -9.046
  800   2HZ   LYS 108          HZ2       LYS 108   6.705  12.302 -10.127
  801   3HZ   LYS 108          HZ3       LYS 108   6.289  11.074  -9.128
  802    H    ILE 109           H        ILE 109  10.855  14.029 -15.615
  803    HA   ILE 109           HA       ILE 109  12.756  15.878 -14.508
  804    HB   ILE 109           HB       ILE 109  12.460  14.617 -17.248
  805   1HG1  ILE 109          HG12      ILE 109  14.572  14.122 -15.088
  806   2HG1  ILE 109          HG13      ILE 109  13.078  13.187 -15.174
  807   1HG2  ILE 109          HG21      ILE 109  13.860  16.862 -17.223
  808   2HG2  ILE 109          HG22      ILE 109  15.055  15.881 -16.366
  809   3HG2  ILE 109          HG23      ILE 109  14.541  15.413 -17.973
  810   1HD1  ILE 109          HD11      ILE 109  14.869  11.950 -16.266
  811   2HD1  ILE 109          HD12      ILE 109  13.664  12.431 -17.475
  812   3HD1  ILE 109          HD13      ILE 109  15.211  13.296 -17.353
  813    H    LYS 110           H        LYS 110  10.101  16.289 -17.023
  814    HA   LYS 110           HA       LYS 110  10.755  19.046 -17.452
  815   1HB   LYS 110          HB2       LYS 110   8.123  17.539 -17.759
  816   2HB   LYS 110          HB3       LYS 110   8.273  19.276 -18.022
  817   1HG   LYS 110          HG2       LYS 110  10.129  18.804 -19.689
  818   2HG   LYS 110          HG3       LYS 110   9.711  17.091 -19.563
  819   1HD   LYS 110          HD2       LYS 110   8.648  17.973 -21.514
  820   2HD   LYS 110          HD3       LYS 110   7.379  17.663 -20.316
  821   1HE   LYS 110          HE2       LYS 110   7.279  20.039 -19.733
  822   2HE   LYS 110          HE3       LYS 110   8.691  20.404 -20.737
  823   1HZ   LYS 110          HZ1       LYS 110   6.210  19.327 -21.925
  824   2HZ   LYS 110          HZ2       LYS 110   6.440  20.923 -21.688
  825   3HZ   LYS 110          HZ3       LYS 110   7.452  20.132 -22.674
  826    H    ALA 111           H        ALA 111   8.657  17.515 -14.918
  827    HA   ALA 111           HA       ALA 111   7.821  19.993 -13.804
  828   1HB   ALA 111          HB1       ALA 111   8.251  17.325 -12.388
  829   2HB   ALA 111          HB2       ALA 111   7.289  18.690 -11.796
  830   3HB   ALA 111          HB3       ALA 111   6.777  17.819 -13.255
  831    H    LYS 112           H        LYS 112  10.715  17.985 -13.110
  832    HA   LYS 112           HA       LYS 112  11.702  19.629 -10.969
  833   1HB   LYS 112          HB2       LYS 112  12.186  17.221 -11.294
  834   2HB   LYS 112          HB3       LYS 112  13.095  17.591 -12.739
  835   1HG   LYS 112          HG2       LYS 112  14.719  17.303 -11.050
  836   2HG   LYS 112          HG3       LYS 112  14.621  19.042 -11.261
  837   1HD   LYS 112          HD2       LYS 112  13.186  19.233  -9.240
  838   2HD   LYS 112          HD3       LYS 112  13.155  17.474  -9.094
  839   1HE   LYS 112          HE2       LYS 112  14.730  18.281  -7.497
  840   2HE   LYS 112          HE3       LYS 112  15.632  17.460  -8.770
  841   1HZ   LYS 112          HZ1       LYS 112  15.320  20.403  -8.513
  842   2HZ   LYS 112          HZ2       LYS 112  16.654  19.558  -8.126
  843   3HZ   LYS 112          HZ3       LYS 112  16.187  19.653  -9.683
  844    H    TYR 113           H        TYR 113  12.094  19.833 -14.476
  845    HA   TYR 113           HA       TYR 113  13.371  21.032 -15.836
  846   1HB   TYR 113          HB2       TYR 113  12.954  23.217 -13.776
  847   2HB   TYR 113          HB3       TYR 113  13.667  23.465 -15.360
  848    HD1  TYR 113           HD1      TYR 113  12.323  22.768 -17.455
  849    HD2  TYR 113           HD2      TYR 113  10.582  23.428 -13.558
  850    HE1  TYR 113           HE1      TYR 113  10.122  23.169 -18.512
  851    HE2  TYR 113           HE2      TYR 113   8.379  23.839 -14.604
  852    HH   TYR 113           HH       TYR 113   7.174  23.948 -16.598
  853    HA   PRO 114           HA       PRO 114  17.463  20.527 -13.624
  854   1HB   PRO 114          HB2       PRO 114  18.286  18.126 -14.601
  855   2HB   PRO 114          HB3       PRO 114  17.186  18.211 -13.188
  856   1HG   PRO 114          HG2       PRO 114  16.476  17.717 -16.069
  857   2HG   PRO 114          HG3       PRO 114  15.926  16.850 -14.589
  858   1HD   PRO 114          HD2       PRO 114  14.493  18.877 -15.846
  859   2HD   PRO 114          HD3       PRO 114  14.370  18.485 -14.107
  860    H    ASP 115           H        ASP 115  15.937  20.357 -16.731
  861    HA   ASP 115           HA       ASP 115  17.921  22.023 -17.975
  862   1HB   ASP 115          HB2       ASP 115  18.490  19.520 -18.561
  863   2HB   ASP 115          HB3       ASP 115  17.028  19.599 -19.548
  864    H    TYR 116           H        TYR 116  16.652  22.307 -20.446
  865    HA   TYR 116           HA       TYR 116  14.393  23.843 -19.521
  866   1HB   TYR 116          HB2       TYR 116  15.606  23.368 -22.263
  867   2HB   TYR 116          HB3       TYR 116  14.222  24.411 -21.992
  868    HD1  TYR 116           HD1      TYR 116  14.441  26.619 -21.058
  869    HD2  TYR 116           HD2      TYR 116  17.845  23.978 -21.218
  870    HE1  TYR 116           HE1      TYR 116  15.930  28.514 -20.490
  871    HE2  TYR 116           HE2      TYR 116  19.347  25.864 -20.643
  872    HH   TYR 116           HH       TYR 116  19.492  28.137 -20.153
  873    H    GLU 117           H        GLU 117  14.638  20.887 -21.632
  874    HA   GLU 117           HA       GLU 117  11.901  20.197 -20.986
  875   1HB   GLU 117          HB2       GLU 117  11.535  21.880 -22.736
  876   2HB   GLU 117          HB3       GLU 117  12.580  20.996 -23.857
  877   1HG   GLU 117          HG2       GLU 117  10.982  19.239 -24.081
  878   2HG   GLU 117          HG3       GLU 117  10.143  19.705 -22.593
  879    H    VAL 118           H        VAL 118  11.330  18.108 -22.380
  880    HA   VAL 118           HA       VAL 118  13.686  16.345 -22.518
  881    HB   VAL 118           HB       VAL 118  11.226  15.610 -20.910
  882   1HG1  VAL 118          HG11      VAL 118  14.121  14.660 -20.677
  883   2HG1  VAL 118          HG12      VAL 118  12.728  14.024 -19.794
  884   3HG1  VAL 118          HG13      VAL 118  12.850  13.790 -21.535
  885   1HG2  VAL 118          HG21      VAL 118  12.248  16.199 -18.838
  886   2HG2  VAL 118          HG22      VAL 118  13.682  16.893 -19.668
  887   3HG2  VAL 118          HG23      VAL 118  12.086  17.651 -19.773
  888    H    THR 119           H        THR 119  13.172  14.375 -23.682
  889    HA   THR 119           HA       THR 119  10.482  14.039 -24.852
  890    HB   THR 119           HB       THR 119  11.708  13.426 -27.036
  891    HG1  THR 119           HG1      THR 119  13.727  14.937 -25.727
  892   1HG2  THR 119          HG21      THR 119  10.296  15.417 -26.855
  893   2HG2  THR 119          HG22      THR 119  11.678  16.366 -26.264
  894   3HG2  THR 119          HG23      THR 119  11.695  15.691 -27.910
  895    H    TRP 120           H        TRP 120  10.448  11.724 -25.920
  896    HA   TRP 120           HA       TRP 120  12.472   9.954 -24.839
  897   1HB   TRP 120          HB2       TRP 120  11.032   8.430 -23.708
  898   2HB   TRP 120          HB3       TRP 120  10.756  10.001 -23.005
  899    HD1  TRP 120           HD1      TRP 120   8.407  11.217 -24.269
  900    HE1  TRP 120           HE1      TRP 120   6.092  10.146 -24.347
  901    HE3  TRP 120           HE3      TRP 120   9.810   6.305 -24.121
  902    HZ2  TRP 120           HZ2      TRP 120   4.974   7.467 -24.296
  903    HZ3  TRP 120           HZ3      TRP 120   8.101   4.515 -24.064
  904    HH2  TRP 120           HH2      TRP 120   5.682   5.081 -24.159
  905    H    ALA 121           H        ALA 121  12.079   7.672 -25.578
  906    HA   ALA 121           HA       ALA 121  10.308   7.373 -27.869
  907   1HB   ALA 121          HB1       ALA 121  13.316   6.782 -28.047
  908   2HB   ALA 121          HB2       ALA 121  12.107   6.317 -29.260
  909   3HB   ALA 121          HB3       ALA 121  12.447   8.036 -28.964
  910    H    ASN 122           H        ASN 122   9.644   5.208 -28.036
  911    HA   ASN 122           HA       ASN 122  10.042   3.642 -25.588
  912   1HB   ASN 122          HB2       ASN 122   7.783   4.187 -26.570
  913   2HB   ASN 122          HB3       ASN 122   8.185   3.157 -27.946
  914   1HD2  ASN 122          HD22      ASN 122   6.640   1.490 -27.581
  915   2HD2  ASN 122          HD21      ASN 122   6.630   0.503 -26.144
  916    H    ASP 123           H        ASP 123  12.285   3.789 -27.531
  917    HA   ASP 123           HA       ASP 123  12.895   0.985 -27.840
  918   1HB   ASP 123          HB2       ASP 123  11.546   1.752 -29.982
  919   2HB   ASP 123          HB3       ASP 123  13.022   2.660 -30.350
  920    H    GLY 124           H        GLY 124  15.137   1.007 -29.073
  921   1HA   GLY 124          HA2       GLY 124  16.987   2.792 -29.552
  922   2HA   GLY 124          HA3       GLY 124  16.908   3.047 -27.806
  923    H    TYR 125           H        TYR 125  19.304   2.299 -28.687
  924    HA   TYR 125           HA       TYR 125  19.724  -0.231 -27.354
  925   1HB   TYR 125          HB2       TYR 125  19.417  -0.963 -29.724
  926   2HB   TYR 125          HB3       TYR 125  20.630   0.202 -30.241
  927    HD1  TYR 125           HD1      TYR 125  22.901  -0.484 -30.389
  928    HD2  TYR 125           HD2      TYR 125  20.155  -2.738 -27.941
  929    HE1  TYR 125           HE1      TYR 125  24.650  -2.192 -30.014
  930    HE2  TYR 125           HE2      TYR 125  21.898  -4.458 -27.557
  931    HH   TYR 125           HH       TYR 125  25.195  -4.209 -28.981
  Start of MODEL    5
    1   1H    MET   1          H1        MET   1  10.302   7.584  17.649
    2   2H    MET   1          H2        MET   1  10.832   7.480  19.197
    3   3H    MET   1          H3        MET   1  10.046   8.821  18.687
    4    HA   MET   1           HA       MET   1  12.367   9.257  18.895
    5   1HB   MET   1          HB2       MET   1  13.156   6.958  18.491
    6   2HB   MET   1          HB3       MET   1  12.743   7.094  16.779
    7   1HG   MET   1          HG2       MET   1  14.362   8.967  16.550
    8   2HG   MET   1          HG3       MET   1  14.738   8.848  18.275
    9   1HE   MET   1          HE1       MET   1  16.921   8.882  15.963
   10   2HE   MET   1          HE2       MET   1  17.309   8.768  17.696
   11   3HE   MET   1          HE3       MET   1  18.030   7.621  16.545
   12    H    ALA   2           H        ALA   2  11.588   8.362  15.443
   13    HA   ALA   2           HA       ALA   2  10.832  11.118  14.824
   14   1HB   ALA   2          HB1       ALA   2  13.318  11.185  14.658
   15   2HB   ALA   2          HB2       ALA   2  13.285   9.770  13.579
   16   3HB   ALA   2          HB3       ALA   2  12.568  11.309  13.058
   17    H    VAL   3           H        VAL   3  10.144  11.201  12.490
   18    HA   VAL   3           HA       VAL   3   9.398   8.622  11.284
   19    HB   VAL   3           HB       VAL   3   7.393  10.867  11.797
   20   1HG1  VAL   3          HG11      VAL   3   7.078   8.115  10.507
   21   2HG1  VAL   3          HG12      VAL   3   5.719   9.142  11.008
   22   3HG1  VAL   3          HG13      VAL   3   6.802   9.702   9.749
   23   1HG2  VAL   3          HG21      VAL   3   6.211   9.234  13.268
   24   2HG2  VAL   3          HG22      VAL   3   7.591   8.125  13.119
   25   3HG2  VAL   3          HG23      VAL   3   7.774   9.706  13.917
   26    H    ALA   4           H        ALA   4   8.802   8.994   8.966
   27    HA   ALA   4           HA       ALA   4   9.611  11.525   7.747
   28   1HB   ALA   4          HB1       ALA   4  11.047  10.265   6.079
   29   2HB   ALA   4          HB2       ALA   4  11.730  10.301   7.713
   30   3HB   ALA   4          HB3       ALA   4  10.933   8.838   7.123
   31    H    ASP   5           H        ASP   5   9.081  11.146   5.203
   32    HA   ASP   5           HA       ASP   5   6.752   9.403   4.798
   33   1HB   ASP   5          HB2       ASP   5   5.749  11.368   5.892
   34   2HB   ASP   5          HB3       ASP   5   6.588  12.449   4.774
   35    H    LEU   6           H        LEU   6   6.160   9.359   2.519
   36    HA   LEU   6           HA       LEU   6   8.271   9.234   0.713
   37   1HB   LEU   6          HB2       LEU   6   5.282   9.647   0.275
   38   2HB   LEU   6          HB3       LEU   6   6.418   9.349  -1.022
   39    HG   LEU   6           HG       LEU   6   5.786   7.405   1.228
   40   1HD1  LEU   6          HD11      LEU   6   4.787   6.083  -0.677
   41   2HD1  LEU   6          HD12      LEU   6   3.938   7.592  -0.321
   42   3HD1  LEU   6          HD13      LEU   6   5.006   7.491  -1.725
   43   1HD2  LEU   6          HD21      LEU   6   8.080   7.015   0.560
   44   2HD2  LEU   6          HD22      LEU   6   7.081   5.769  -0.176
   45   3HD2  LEU   6          HD23      LEU   6   7.655   7.122  -1.166
   46    H    ALA   7           H        ALA   7   6.229  12.072   1.472
   47    HA   ALA   7           HA       ALA   7   6.886  13.557  -0.849
   48   1HB   ALA   7          HB1       ALA   7   4.960  14.069   0.614
   49   2HB   ALA   7          HB2       ALA   7   6.077  14.555   1.915
   50   3HB   ALA   7          HB3       ALA   7   6.007  15.485   0.406
   51    H    LEU   8           H        LEU   8   8.772  12.897   2.037
   52    HA   LEU   8           HA       LEU   8  10.460  15.281   1.832
   53   1HB   LEU   8          HB2       LEU   8  10.926  12.681   3.349
   54   2HB   LEU   8          HB3       LEU   8  11.808  14.189   3.556
   55    HG   LEU   8           HG       LEU   8   8.884  13.696   4.258
   56   1HD1  LEU   8          HD11      LEU   8  11.288  14.310   6.027
   57   2HD1  LEU   8          HD12      LEU   8   9.626  13.971   6.561
   58   3HD1  LEU   8          HD13      LEU   8  10.588  12.701   5.783
   59   1HD2  LEU   8          HD21      LEU   8   9.086  16.020   3.515
   60   2HD2  LEU   8          HD22      LEU   8   8.933  15.973   5.273
   61   3HD2  LEU   8          HD23      LEU   8  10.526  16.254   4.533
   62    H    ILE   9           H        ILE   9  10.306  12.213   0.221
   63    HA   ILE   9           HA       ILE   9  13.104  11.728  -0.079
   64    HB   ILE   9           HB       ILE   9  10.701  10.689  -1.640
   65   1HG1  ILE   9          HG12      ILE   9  12.226   9.566   0.761
   66   2HG1  ILE   9          HG13      ILE   9  10.570  10.202   0.794
   67   1HG2  ILE   9          HG21      ILE   9  12.172   8.833  -2.327
   68   2HG2  ILE   9          HG22      ILE   9  12.793  10.362  -2.898
   69   3HG2  ILE   9          HG23      ILE   9  13.534   9.606  -1.479
   70   1HD1  ILE   9          HD11      ILE   9  11.533   7.645  -0.496
   71   2HD1  ILE   9          HD12      ILE   9  10.386   7.853   0.828
   72   3HD1  ILE   9          HD13      ILE   9   9.928   8.353  -0.818
   73    HA   PRO  10           HA       PRO  10  13.826  14.793  -3.410
   74   1HB   PRO  10          HB2       PRO  10  16.038  12.850  -4.078
   75   2HB   PRO  10          HB3       PRO  10  16.107  14.632  -3.949
   76   1HG   PRO  10          HG2       PRO  10  17.080  13.060  -1.957
   77   2HG   PRO  10          HG3       PRO  10  16.136  14.536  -1.570
   78   1HD   PRO  10          HD2       PRO  10  15.190  11.661  -1.598
   79   2HD   PRO  10          HD3       PRO  10  14.872  12.952  -0.398
   80    H    ASP  11           H        ASP  11  12.929  14.765  -5.505
   81    HA   ASP  11           HA       ASP  11  11.741  12.186  -6.247
   82   1HB   ASP  11          HB2       ASP  11  10.470  14.329  -5.956
   83   2HB   ASP  11          HB3       ASP  11  11.244  14.924  -7.436
   84    H    VAL  12           H        VAL  12  13.894  14.596  -7.821
   85    HA   VAL  12           HA       VAL  12  14.606  12.582  -9.884
   86    HB   VAL  12           HB       VAL  12  13.922  15.499 -10.470
   87   1HG1  VAL  12          HG11      VAL  12  14.692  13.224 -12.358
   88   2HG1  VAL  12          HG12      VAL  12  14.184  14.855 -12.845
   89   3HG1  VAL  12          HG13      VAL  12  15.691  14.639 -11.959
   90   1HG2  VAL  12          HG21      VAL  12  11.830  14.286 -10.122
   91   2HG2  VAL  12          HG22      VAL  12  12.058  14.617 -11.835
   92   3HG2  VAL  12          HG23      VAL  12  12.373  12.982 -11.198
   93    H    ASP  13           H        ASP  13  16.800  12.541 -10.182
   94    HA   ASP  13           HA       ASP  13  18.403  14.915  -9.967
   95   1HB   ASP  13          HB2       ASP  13  18.460  14.293  -7.571
   96   2HB   ASP  13          HB3       ASP  13  18.947  12.650  -7.996
   97    H    ILE  14           H        ILE  14  19.709  14.670 -11.736
   98    HA   ILE  14           HA       ILE  14  20.544  11.991 -12.605
   99    HB   ILE  14           HB       ILE  14  19.787  12.509 -14.927
  100   1HG1  ILE  14          HG12      ILE  14  17.851  14.524 -13.710
  101   2HG1  ILE  14          HG13      ILE  14  19.349  14.991 -14.530
  102   1HG2  ILE  14          HG21      ILE  14  17.571  11.592 -14.641
  103   2HG2  ILE  14          HG22      ILE  14  18.628  10.901 -13.412
  104   3HG2  ILE  14          HG23      ILE  14  17.483  12.182 -12.968
  105   1HD1  ILE  14          HD11      ILE  14  18.557  13.857 -16.601
  106   2HD1  ILE  14          HD12      ILE  14  17.024  13.479 -15.781
  107   3HD1  ILE  14          HD13      ILE  14  17.482  15.162 -16.065
  108    H    ASP  15           H        ASP  15  22.207  12.069 -14.227
  109    HA   ASP  15           HA       ASP  15  24.252  13.874 -13.555
  110   1HB   ASP  15          HB2       ASP  15  24.126  11.437 -14.781
  111   2HB   ASP  15          HB3       ASP  15  24.453  12.449 -16.168
  112    H    SER  16           H        SER  16  25.626  14.937 -15.328
  113    HA   SER  16           HA       SER  16  24.055  16.530 -17.276
  114   1HB   SER  16          HB2       SER  16  26.068  17.706 -15.319
  115   2HB   SER  16          HB3       SER  16  25.123  18.583 -16.532
  116    HG   SER  16           HG       SER  16  24.233  18.742 -14.423
  117    H    ASP  17           H        ASP  17  26.698  14.459 -16.729
  118    HA   ASP  17           HA       ASP  17  28.835  15.662 -18.033
  119   1HB   ASP  17          HB2       ASP  17  29.036  13.582 -16.798
  120   2HB   ASP  17          HB3       ASP  17  28.012  12.737 -17.966
  121    H    GLY  18           H        GLY  18  26.185  13.767 -19.557
  122   1HA   GLY  18          HA2       GLY  18  25.823  15.208 -21.823
  123   2HA   GLY  18          HA3       GLY  18  27.214  14.210 -22.270
  124    H    VAL  19           H        VAL  19  26.864  11.778 -21.357
  125    HA   VAL  19           HA       VAL  19  24.139  10.828 -22.017
  126    HB   VAL  19           HB       VAL  19  26.719   9.836 -23.315
  127   1HG1  VAL  19          HG11      VAL  19  25.203   7.961 -22.921
  128   2HG1  VAL  19          HG12      VAL  19  23.844   8.866 -23.618
  129   3HG1  VAL  19          HG13      VAL  19  25.203   8.358 -24.643
  130   1HG2  VAL  19          HG21      VAL  19  26.025  11.901 -24.409
  131   2HG2  VAL  19          HG22      VAL  19  25.646  10.538 -25.460
  132   3HG2  VAL  19          HG23      VAL  19  24.351  11.316 -24.527
  133    H    PHE  20           H        PHE  20  23.550   9.151 -20.678
  134    HA   PHE  20           HA       PHE  20  25.446   7.554 -19.153
  135   1HB   PHE  20          HB2       PHE  20  24.706   8.426 -16.952
  136   2HB   PHE  20          HB3       PHE  20  25.583   9.631 -17.859
  137    HD1  PHE  20           HD1      PHE  20  22.432   8.819 -16.239
  138    HD2  PHE  20           HD2      PHE  20  24.312  11.533 -19.012
  139    HE1  PHE  20           HE1      PHE  20  20.588  10.440 -15.906
  140    HE2  PHE  20           HE2      PHE  20  22.460  13.146 -18.686
  141    HZ   PHE  20           HZ       PHE  20  20.613  12.619 -17.121
  142    H    LYS  21           H        LYS  21  24.043   6.310 -17.386
  143    HA   LYS  21           HA       LYS  21  21.540   5.462 -18.772
  144   1HB   LYS  21          HB2       LYS  21  23.355   3.811 -16.963
  145   2HB   LYS  21          HB3       LYS  21  21.873   3.273 -17.760
  146   1HG   LYS  21          HG2       LYS  21  23.018   3.909 -19.991
  147   2HG   LYS  21          HG3       LYS  21  24.515   4.044 -19.050
  148   1HD   LYS  21          HD2       LYS  21  24.075   1.627 -18.268
  149   2HD   LYS  21          HD3       LYS  21  22.751   1.597 -19.433
  150   1HE   LYS  21          HE2       LYS  21  24.499   0.611 -20.610
  151   2HE   LYS  21          HE3       LYS  21  24.450   2.269 -21.230
  152   1HZ   LYS  21          HZ1       LYS  21  26.708   1.460 -20.714
  153   2HZ   LYS  21          HZ2       LYS  21  26.347   2.788 -19.837
  154   3HZ   LYS  21          HZ3       LYS  21  26.315   1.304 -19.129
  155    H    TYR  22           H        TYR  22  19.777   4.752 -17.350
  156    HA   TYR  22           HA       TYR  22  19.799   5.956 -14.659
  157   1HB   TYR  22          HB2       TYR  22  18.505   7.730 -15.157
  158   2HB   TYR  22          HB3       TYR  22  19.008   7.500 -16.808
  159    HD1  TYR  22           HD1      TYR  22  17.522   6.021 -18.301
  160    HD2  TYR  22           HD2      TYR  22  16.267   7.532 -14.469
  161    HE1  TYR  22           HE1      TYR  22  15.221   5.254 -18.762
  162    HE2  TYR  22           HE2      TYR  22  13.945   6.793 -14.928
  163    HH   TYR  22           HH       TYR  22  13.145   4.879 -17.826
  164    H    VAL  23           H        VAL  23  17.562   5.556 -13.615
  165    HA   VAL  23           HA       VAL  23  16.216   3.124 -14.527
  166    HB   VAL  23           HB       VAL  23  18.179   2.464 -13.080
  167   1HG1  VAL  23          HG11      VAL  23  18.050   2.759 -10.650
  168   2HG1  VAL  23          HG12      VAL  23  18.148   4.333 -11.465
  169   3HG1  VAL  23          HG13      VAL  23  16.607   3.772 -10.824
  170   1HG2  VAL  23          HG21      VAL  23  16.311   0.948 -13.360
  171   2HG2  VAL  23          HG22      VAL  23  16.987   0.831 -11.735
  172   3HG2  VAL  23          HG23      VAL  23  15.454   1.691 -11.991
  173    H    LEU  24           H        LEU  24  14.114   2.895 -13.529
  174    HA   LEU  24           HA       LEU  24  13.038   5.362 -12.240
  175   1HB   LEU  24          HB2       LEU  24  12.190   4.958 -14.570
  176   2HB   LEU  24          HB3       LEU  24  11.664   3.355 -14.072
  177    HG   LEU  24           HG       LEU  24  10.063   4.469 -12.409
  178   1HD1  LEU  24          HD11      LEU  24   9.560   6.843 -12.745
  179   2HD1  LEU  24          HD12      LEU  24  11.216   6.648 -12.190
  180   3HD1  LEU  24          HD13      LEU  24  10.891   6.985 -13.910
  181   1HD2  LEU  24          HD21      LEU  24   9.290   3.664 -14.585
  182   2HD2  LEU  24          HD22      LEU  24   8.443   5.134 -14.102
  183   3HD2  LEU  24          HD23      LEU  24   9.723   5.224 -15.333
  184    H    ILE  25           H        ILE  25  12.629   4.825 -10.042
  185    HA   ILE  25           HA       ILE  25  11.912   1.985  -9.535
  186    HB   ILE  25           HB       ILE  25  13.420   1.607  -8.109
  187   1HG1  ILE  25          HG12      ILE  25  13.456   4.331  -6.801
  188   2HG1  ILE  25          HG13      ILE  25  12.336   3.045  -6.354
  189   1HG2  ILE  25          HG21      ILE  25  14.846   2.644  -9.835
  190   2HG2  ILE  25          HG22      ILE  25  14.883   4.148  -8.871
  191   3HG2  ILE  25          HG23      ILE  25  15.607   2.656  -8.249
  192   1HD1  ILE  25          HD11      ILE  25  14.127   2.996  -4.800
  193   2HD1  ILE  25          HD12      ILE  25  14.229   1.549  -5.823
  194   3HD1  ILE  25          HD13      ILE  25  15.345   2.918  -6.081
  195    H    ARG  26           H        ARG  26  10.285   1.522  -8.270
  196    HA   ARG  26           HA       ARG  26   8.447   3.675  -7.414
  197   1HB   ARG  26          HB2       ARG  26   7.586   1.697  -8.586
  198   2HB   ARG  26          HB3       ARG  26   8.265   0.625  -7.371
  199   1HG   ARG  26          HG2       ARG  26   6.724   1.269  -5.714
  200   2HG   ARG  26          HG3       ARG  26   6.308   2.783  -6.519
  201   1HD   ARG  26          HD2       ARG  26   5.628   0.046  -7.669
  202   2HD   ARG  26          HD3       ARG  26   4.527   0.995  -6.644
  203    HE   ARG  26           HE       ARG  26   5.304   2.787  -8.567
  204   1HH1  ARG  26          HH22      ARG  26   3.661  -0.369  -8.720
  205   2HH1  ARG  26          HH21      ARG  26   2.848  -0.019 -10.199
  206   1HH2  ARG  26          HH11      ARG  26   4.279   3.251 -10.501
  207   2HH2  ARG  26          HH12      ARG  26   3.191   2.110 -11.236
  208    H    VAL  27           H        VAL  27   7.948   3.950  -5.234
  209    HA   VAL  27           HA       VAL  27   9.559   2.578  -3.156
  210    HB   VAL  27           HB       VAL  27   8.915   5.560  -3.317
  211   1HG1  VAL  27          HG11      VAL  27   9.286   4.683  -1.026
  212   2HG1  VAL  27          HG12      VAL  27  10.876   4.066  -1.535
  213   3HG1  VAL  27          HG13      VAL  27  10.554   5.805  -1.523
  214   1HG2  VAL  27          HG21      VAL  27  11.562   4.234  -4.033
  215   2HG2  VAL  27          HG22      VAL  27  10.513   5.181  -5.114
  216   3HG2  VAL  27          HG23      VAL  27  11.326   5.978  -3.774
  217    H    HIS  28           H        HIS  28   8.274   2.154  -1.314
  218    HA   HIS  28           HA       HIS  28   5.353   2.811  -1.487
  219   1HB   HIS  28          HB2       HIS  28   6.775   0.504  -0.112
  220   2HB   HIS  28          HB3       HIS  28   5.035   0.740  -0.251
  221    HD1  HIS  28           HD1      HIS  28   4.235   0.828  -3.083
  222    HD2  HIS  28           HD2      HIS  28   7.782  -1.101  -1.891
  223    HE1  HIS  28           HE1      HIS  28   4.822  -0.813  -4.934
  224    H    SER  29           H        SER  29   4.265   3.318   0.480
  225    HA   SER  29           HA       SER  29   5.676   5.059   2.214
  226   1HB   SER  29          HB2       SER  29   2.891   3.918   2.582
  227   2HB   SER  29          HB3       SER  29   3.568   5.349   3.364
  228    HG   SER  29           HG       SER  29   3.146   4.989   0.566
  229    H    ALA  30           H        ALA  30   7.367   3.588   2.976
  230    HA   ALA  30           HA       ALA  30   6.571   2.647   5.665
  231   1HB   ALA  30          HB1       ALA  30   8.088   0.729   5.512
  232   2HB   ALA  30          HB2       ALA  30   6.845   0.655   4.256
  233   3HB   ALA  30          HB3       ALA  30   8.495   1.153   3.838
  234    HA   PRO  31           HA       PRO  31  10.833   5.151   5.523
  235   1HB   PRO  31          HB2       PRO  31   9.020   7.502   5.996
  236   2HB   PRO  31          HB3       PRO  31  10.686   7.473   5.331
  237   1HG   PRO  31          HG2       PRO  31   8.492   7.706   3.725
  238   2HG   PRO  31          HG3       PRO  31   9.935   6.787   3.232
  239   1HD   PRO  31          HD2       PRO  31   7.283   5.784   4.160
  240   2HD   PRO  31          HD3       PRO  31   8.470   5.031   3.054
  241    H    ARG  32           H        ARG  32  11.740   5.298   7.480
  242    HA   ARG  32           HA       ARG  32  12.070   4.673   9.604
  243   1HB   ARG  32          HB2       ARG  32  10.042   6.892   9.985
  244   2HB   ARG  32          HB3       ARG  32  11.093   6.301  11.266
  245   1HG   ARG  32          HG2       ARG  32  12.167   7.534   8.685
  246   2HG   ARG  32          HG3       ARG  32  11.811   8.432  10.151
  247   1HD   ARG  32          HD2       ARG  32  14.113   8.059  10.235
  248   2HD   ARG  32          HD3       ARG  32  13.403   6.955  11.408
  249    HE   ARG  32           HE       ARG  32  14.080   6.023   8.639
  250   1HH1  ARG  32          HH21      ARG  32  14.628   5.727  12.142
  251   2HH1  ARG  32          HH22      ARG  32  15.718   4.400  12.002
  252   1HH2  ARG  32          HH11      ARG  32  15.718   4.364   8.457
  253   2HH2  ARG  32          HH12      ARG  32  16.269   3.571   9.880
  254    H    SER  33           H        SER  33   9.848   3.111   8.288
  255    HA   SER  33           HA       SER  33   8.209   1.686   8.745
  256   1HB   SER  33          HB2       SER  33   9.540   1.373  11.461
  257   2HB   SER  33          HB3       SER  33   8.526   0.190  10.619
  258    HG   SER  33           HG       SER  33  10.765  -0.235  10.365
  259    H    GLY  34           H        GLY  34   7.645   4.498   9.302
  260   1HA   GLY  34          HA2       GLY  34   5.380   4.229  11.223
  261   2HA   GLY  34          HA3       GLY  34   6.638   5.443  11.491
  262    H    ALA  35           H        ALA  35   6.573   5.510   8.223
  263    HA   ALA  35           HA       ALA  35   4.974   7.778   7.873
  264   1HB   ALA  35          HB1       ALA  35   6.637   6.982   6.237
  265   2HB   ALA  35          HB2       ALA  35   5.610   5.567   5.873
  266   3HB   ALA  35          HB3       ALA  35   5.047   7.200   5.472
  267    HA   PRO  36           HA       PRO  36   0.856   5.970   8.009
  268   1HB   PRO  36          HB2       PRO  36  -0.636   7.904   6.772
  269   2HB   PRO  36          HB3       PRO  36   0.098   8.132   8.387
  270   1HG   PRO  36          HG2       PRO  36   1.185   9.041   5.703
  271   2HG   PRO  36          HG3       PRO  36   1.015   9.999   7.210
  272   1HD   PRO  36          HD2       PRO  36   3.371   8.810   6.493
  273   2HD   PRO  36          HD3       PRO  36   2.867   8.930   8.206
  274    H    ALA  37           H        ALA  37  -0.812   5.162   6.615
  275    HA   ALA  37           HA       ALA  37  -1.697   4.043   4.899
  276   1HB   ALA  37          HB1       ALA  37  -1.885   6.405   4.071
  277   2HB   ALA  37          HB2       ALA  37  -0.418   6.130   3.100
  278   3HB   ALA  37          HB3       ALA  37  -1.890   5.186   2.793
  279    H    ALA  38           H        ALA  38  -1.034   3.450   2.335
  280    HA   ALA  38           HA       ALA  38   1.665   2.298   2.192
  281   1HB   ALA  38          HB1       ALA  38   0.260   0.468   3.111
  282   2HB   ALA  38          HB2       ALA  38  -0.853   0.647   1.730
  283   3HB   ALA  38          HB3       ALA  38   0.830   0.126   1.467
  284    H    GLU  39           H        GLU  39   0.703   4.643   1.098
  285    HA   GLU  39           HA       GLU  39  -0.051   4.193  -1.669
  286   1HB   GLU  39          HB2       GLU  39   1.048   6.648  -0.214
  287   2HB   GLU  39          HB3       GLU  39   0.542   6.627  -1.908
  288   1HG   GLU  39          HG2       GLU  39  -1.750   5.920  -1.190
  289   2HG   GLU  39          HG3       GLU  39  -1.251   6.086   0.494
  290    H    SER  40           H        SER  40   1.498   5.055  -3.426
  291    HA   SER  40           HA       SER  40   4.321   4.450  -2.846
  292   1HB   SER  40          HB2       SER  40   2.901   3.246  -5.241
  293   2HB   SER  40          HB3       SER  40   4.523   2.889  -4.643
  294    HG   SER  40           HG       SER  40   2.038   2.255  -3.404
  295    H    LYS  41           H        LYS  41   5.744   5.207  -4.574
  296    HA   LYS  41           HA       LYS  41   4.679   7.019  -6.601
  297   1HB   LYS  41          HB2       LYS  41   5.971   8.978  -5.822
  298   2HB   LYS  41          HB3       LYS  41   4.705   8.519  -4.716
  299   1HG   LYS  41          HG2       LYS  41   6.361   9.000  -3.238
  300   2HG   LYS  41          HG3       LYS  41   6.529   7.264  -3.368
  301   1HD   LYS  41          HD2       LYS  41   8.691   7.978  -3.305
  302   2HD   LYS  41          HD3       LYS  41   8.478   7.751  -5.028
  303   1HE   LYS  41          HE2       LYS  41   8.272  10.422  -3.531
  304   2HE   LYS  41          HE3       LYS  41   9.726   9.818  -4.318
  305   1HZ   LYS  41          HZ1       LYS  41   7.215  10.604  -5.671
  306   2HZ   LYS  41          HZ2       LYS  41   8.693  11.276  -5.863
  307   3HZ   LYS  41          HZ3       LYS  41   8.446   9.802  -6.436
  308    H    GLU  42           H        GLU  42   6.509   7.822  -8.008
  309    HA   GLU  42           HA       GLU  42   8.677   5.774  -8.113
  310   1HB   GLU  42          HB2       GLU  42   7.148   7.343 -10.212
  311   2HB   GLU  42          HB3       GLU  42   8.815   6.882 -10.520
  312   1HG   GLU  42          HG2       GLU  42   7.503   5.222 -11.512
  313   2HG   GLU  42          HG3       GLU  42   8.259   4.499 -10.100
  314    H    ILE  43           H        ILE  43  10.827   6.520  -8.586
  315    HA   ILE  43           HA       ILE  43  11.300   9.444  -8.609
  316    HB   ILE  43           HB       ILE  43  13.297   9.144  -7.209
  317   1HG1  ILE  43          HG12      ILE  43  12.241   6.366  -6.546
  318   2HG1  ILE  43          HG13      ILE  43  13.644   6.690  -7.567
  319   1HG2  ILE  43          HG21      ILE  43  12.148   9.205  -5.093
  320   2HG2  ILE  43          HG22      ILE  43  11.081   9.901  -6.315
  321   3HG2  ILE  43          HG23      ILE  43  10.805   8.233  -5.744
  322   1HD1  ILE  43          HD11      ILE  43  14.365   6.082  -5.339
  323   2HD1  ILE  43          HD12      ILE  43  14.799   7.773  -5.661
  324   3HD1  ILE  43          HD13      ILE  43  13.415   7.380  -4.611
  325    H    VAL  44           H        VAL  44  13.276  10.013  -9.662
  326    HA   VAL  44           HA       VAL  44  14.113   8.016 -11.732
  327    HB   VAL  44           HB       VAL  44  13.783  11.049 -11.895
  328   1HG1  VAL  44          HG11      VAL  44  14.132  10.796 -14.306
  329   2HG1  VAL  44          HG12      VAL  44  15.546  10.202 -13.430
  330   3HG1  VAL  44          HG13      VAL  44  14.375   9.051 -14.116
  331   1HG2  VAL  44          HG21      VAL  44  11.565   9.976 -11.815
  332   2HG2  VAL  44          HG22      VAL  44  11.900  10.607 -13.428
  333   3HG2  VAL  44          HG23      VAL  44  12.051   8.868 -13.118
  334    H    ARG  45           H        ARG  45  16.272   7.515 -11.629
  335    HA   ARG  45           HA       ARG  45  18.197   9.580 -10.717
  336   1HB   ARG  45          HB2       ARG  45  18.124   6.667  -9.780
  337   2HB   ARG  45          HB3       ARG  45  19.530   7.705  -9.618
  338   1HG   ARG  45          HG2       ARG  45  16.860   8.061  -8.229
  339   2HG   ARG  45          HG3       ARG  45  18.373   7.555  -7.510
  340   1HD   ARG  45          HD2       ARG  45  18.906   9.639  -6.999
  341   2HD   ARG  45          HD3       ARG  45  18.986  10.036  -8.711
  342    HE   ARG  45           HE       ARG  45  16.755  10.739  -8.716
  343   1HH1  ARG  45          HH11      ARG  45  17.795   9.952  -5.398
  344   2HH1  ARG  45          HH12      ARG  45  16.273  10.357  -4.690
  345   1HH2  ARG  45          HH21      ARG  45  14.747  11.240  -7.769
  346   2HH2  ARG  45          HH22      ARG  45  14.549  11.176  -6.050
  347    H    GLY  46           H        GLY  46  20.212   9.433 -11.812
  348   1HA   GLY  46          HA2       GLY  46  21.039   7.096 -13.190
  349   2HA   GLY  46          HA3       GLY  46  20.396   8.264 -14.360
  350    H    TYR  47           H        TYR  47  23.214   7.255 -13.648
  351    HA   TYR  47           HA       TYR  47  24.561   9.873 -13.523
  352   1HB   TYR  47          HB2       TYR  47  25.154   7.675 -11.521
  353   2HB   TYR  47          HB3       TYR  47  25.948   9.236 -11.652
  354    HD1  TYR  47           HD1      TYR  47  24.682  11.351 -11.031
  355    HD2  TYR  47           HD2      TYR  47  23.127   7.401 -10.321
  356    HE1  TYR  47           HE1      TYR  47  23.103  12.283  -9.364
  357    HE2  TYR  47           HE2      TYR  47  21.552   8.312  -8.627
  358    HH   TYR  47           HH       TYR  47  21.424  11.821  -7.840
  359    H    LYS  48           H        LYS  48  26.719   9.734 -14.324
  360    HA   LYS  48           HA       LYS  48  27.322   7.603 -16.121
  361   1HB   LYS  48          HB2       LYS  48  28.240  10.052 -15.936
  362   2HB   LYS  48          HB3       LYS  48  29.449   9.370 -14.857
  363   1HG   LYS  48          HG2       LYS  48  28.925   8.525 -17.751
  364   2HG   LYS  48          HG3       LYS  48  30.162   9.663 -17.224
  365   1HD   LYS  48          HD2       LYS  48  31.208   7.797 -15.860
  366   2HD   LYS  48          HD3       LYS  48  30.076   6.679 -16.661
  367   1HE   LYS  48          HE2       LYS  48  30.925   7.311 -18.861
  368   2HE   LYS  48          HE3       LYS  48  32.035   8.475 -18.126
  369   1HZ   LYS  48          HZ1       LYS  48  33.131   6.387 -18.651
  370   2HZ   LYS  48          HZ2       LYS  48  33.160   6.630 -17.042
  371   3HZ   LYS  48          HZ3       LYS  48  32.127   5.530 -17.686
  372    H    TRP  49           H        TRP  49  28.233   8.109 -12.647
  373    HA   TRP  49           HA       TRP  49  30.069   5.977 -12.569
  374   1HB   TRP  49          HB2       TRP  49  29.709   5.960 -10.114
  375   2HB   TRP  49          HB3       TRP  49  30.177   7.484 -10.822
  376    HD1  TRP  49           HD1      TRP  49  28.928   9.521 -10.050
  377    HE1  TRP  49           HE1      TRP  49  26.869  10.023  -8.639
  378    HE3  TRP  49           HE3      TRP  49  27.037   4.768  -9.641
  379    HZ2  TRP  49           HZ2      TRP  49  24.664   8.545  -7.447
  380    HZ3  TRP  49           HZ3      TRP  49  24.900   4.379  -8.495
  381    HH2  TRP  49           HH2      TRP  49  23.683   6.258  -7.398
  382    H    ALA  50           H        ALA  50  26.516   5.798 -12.501
  383    HA   ALA  50           HA       ALA  50  26.662   2.891 -11.998
  384   1HB   ALA  50          HB1       ALA  50  24.834   3.974 -10.918
  385   2HB   ALA  50          HB2       ALA  50  24.290   4.726 -12.450
  386   3HB   ALA  50          HB3       ALA  50  24.234   2.955 -12.228
  387    H    GLU  51           H        GLU  51  28.140   2.747 -13.885
  388    HA   GLU  51           HA       GLU  51  27.221   3.188 -16.540
  389   1HB   GLU  51          HB2       GLU  51  29.263   1.164 -15.513
  390   2HB   GLU  51          HB3       GLU  51  29.032   1.636 -17.207
  391   1HG   GLU  51          HG2       GLU  51  29.457   4.033 -16.492
  392   2HG   GLU  51          HG3       GLU  51  29.986   3.395 -14.923
  393    H    TYR  52           H        TYR  52  25.971   1.020 -14.276
  394    HA   TYR  52           HA       TYR  52  24.472  -0.411 -16.337
  395   1HB   TYR  52          HB2       TYR  52  24.610  -2.445 -14.693
  396   2HB   TYR  52          HB3       TYR  52  25.798  -2.204 -15.963
  397    HD1  TYR  52           HD1      TYR  52  25.342  -2.669 -12.416
  398    HD2  TYR  52           HD2      TYR  52  28.003  -1.081 -15.397
  399    HE1  TYR  52           HE1      TYR  52  27.205  -2.798 -10.792
  400    HE2  TYR  52           HE2      TYR  52  29.896  -1.183 -13.777
  401    HH   TYR  52           HH       TYR  52  29.473  -2.402 -10.415
  402    H    HIS  53           H        HIS  53  22.345  -0.537 -15.740
  403    HA   HIS  53           HA       HIS  53  21.311   1.255 -13.896
  404   1HB   HIS  53          HB2       HIS  53  19.734  -1.172 -14.762
  405   2HB   HIS  53          HB3       HIS  53  19.168   0.477 -14.516
  406    HD1  HIS  53           HD1      HIS  53  19.381   2.102 -16.703
  407    HD2  HIS  53           HD2      HIS  53  21.068  -1.749 -17.026
  408    HE1  HIS  53           HE1      HIS  53  20.085   1.800 -19.146
  409    H    ALA  54           H        ALA  54  22.102  -2.173 -13.403
  410    HA   ALA  54           HA       ALA  54  20.661  -2.591 -11.005
  411   1HB   ALA  54          HB1       ALA  54  22.258  -4.426 -10.607
  412   2HB   ALA  54          HB2       ALA  54  21.700  -4.420 -12.290
  413   3HB   ALA  54          HB3       ALA  54  23.320  -3.800 -11.882
  414    H    ASP  55           H        ASP  55  23.702  -0.810 -11.588
  415    HA   ASP  55           HA       ASP  55  24.577  -0.859  -8.854
  416   1HB   ASP  55          HB2       ASP  55  25.964  -0.201 -10.921
  417   2HB   ASP  55          HB3       ASP  55  25.141   1.333 -10.878
  418    H    ILE  56           H        ILE  56  22.608   1.499 -10.752
  419    HA   ILE  56           HA       ILE  56  22.243   3.229  -8.469
  420    HB   ILE  56           HB       ILE  56  20.111   3.891 -10.003
  421   1HG1  ILE  56          HG12      ILE  56  22.033   2.680 -11.991
  422   2HG1  ILE  56          HG13      ILE  56  20.281   2.512 -11.839
  423   1HG2  ILE  56          HG21      ILE  56  21.743   5.337  -9.001
  424   2HG2  ILE  56          HG22      ILE  56  22.905   4.971 -10.295
  425   3HG2  ILE  56          HG23      ILE  56  21.377   5.818 -10.648
  426   1HD1  ILE  56          HD11      ILE  56  21.848   4.925 -12.825
  427   2HD1  ILE  56          HD12      ILE  56  20.821   3.838 -13.771
  428   3HD1  ILE  56          HD13      ILE  56  20.086   4.915 -12.562
  429    H    TYR  57           H        TYR  57  20.246   0.523  -9.891
  430    HA   TYR  57           HA       TYR  57  18.084   1.030  -8.112
  431   1HB   TYR  57          HB2       TYR  57  17.782  -0.543  -9.930
  432   2HB   TYR  57          HB3       TYR  57  19.032  -1.608  -9.281
  433    HD1  TYR  57           HD1      TYR  57  18.255  -3.500  -8.110
  434    HD2  TYR  57           HD2      TYR  57  15.927   0.136  -7.969
  435    HE1  TYR  57           HE1      TYR  57  16.640  -4.597  -6.601
  436    HE2  TYR  57           HE2      TYR  57  14.329  -0.945  -6.425
  437    HH   TYR  57           HH       TYR  57  14.697  -4.346  -5.334
  438    H    ASP  58           H        ASP  58  21.047  -1.042  -7.632
  439    HA   ASP  58           HA       ASP  58  20.326  -1.920  -5.041
  440   1HB   ASP  58          HB2       ASP  58  22.105  -2.979  -6.320
  441   2HB   ASP  58          HB3       ASP  58  23.070  -1.498  -6.279
  442    H    LYS  59           H        LYS  59  22.363   0.897  -6.030
  443    HA   LYS  59           HA       LYS  59  22.960   1.787  -3.398
  444   1HB   LYS  59          HB2       LYS  59  24.217   2.432  -5.331
  445   2HB   LYS  59          HB3       LYS  59  22.833   3.243  -6.067
  446   1HG   LYS  59          HG2       LYS  59  23.000   5.108  -4.738
  447   2HG   LYS  59          HG3       LYS  59  23.652   4.217  -3.341
  448   1HD   LYS  59          HD2       LYS  59  25.818   4.026  -4.334
  449   2HD   LYS  59          HD3       LYS  59  25.238   4.637  -5.891
  450   1HE   LYS  59          HE2       LYS  59  24.673   6.825  -4.770
  451   2HE   LYS  59          HE3       LYS  59  25.407   6.211  -3.283
  452   1HZ   LYS  59          HZ1       LYS  59  26.961   7.551  -4.551
  453   2HZ   LYS  59          HZ2       LYS  59  27.509   6.019  -4.493
  454   3HZ   LYS  59          HZ3       LYS  59  26.816   6.592  -5.864
  455    H    VAL  60           H        VAL  60  20.330   2.816  -5.649
  456    HA   VAL  60           HA       VAL  60  19.353   4.797  -3.816
  457    HB   VAL  60           HB       VAL  60  18.082   3.613  -6.300
  458   1HG1  VAL  60          HG11      VAL  60  16.692   5.675  -6.251
  459   2HG1  VAL  60          HG12      VAL  60  16.419   4.711  -4.785
  460   3HG1  VAL  60          HG13      VAL  60  17.437   6.142  -4.698
  461   1HG2  VAL  60          HG21      VAL  60  19.539   6.274  -5.964
  462   2HG2  VAL  60          HG22      VAL  60  20.347   4.837  -6.581
  463   3HG2  VAL  60          HG23      VAL  60  18.982   5.477  -7.471
  464    H    SER  61           H        SER  61  18.226   1.422  -4.640
  465    HA   SER  61           HA       SER  61  16.001   1.526  -2.868
  466   1HB   SER  61          HB2       SER  61  16.430  -0.167  -4.682
  467   2HB   SER  61          HB3       SER  61  17.632  -0.930  -3.620
  468    HG   SER  61           HG       SER  61  15.461  -1.817  -3.548
  469    H    GLY  62           H        GLY  62  19.494   0.764  -2.333
  470   1HA   GLY  62          HA2       GLY  62  19.366  -0.004   0.371
  471   2HA   GLY  62          HA3       GLY  62  20.719   0.826  -0.425
  472    H    ASP  63           H        ASP  63  19.775   3.342  -1.023
  473    HA   ASP  63           HA       ASP  63  19.754   4.657   1.500
  474   1HB   ASP  63          HB2       ASP  63  20.527   5.701  -0.634
  475   2HB   ASP  63          HB3       ASP  63  18.851   5.783  -1.187
  476    H    MET  64           H        MET  64  17.024   4.099  -0.856
  477    HA   MET  64           HA       MET  64  15.023   5.304   0.730
  478   1HB   MET  64          HB2       MET  64  14.813   2.843  -1.058
  479   2HB   MET  64          HB3       MET  64  13.460   3.810  -0.483
  480   1HG   MET  64          HG2       MET  64  15.566   4.836  -2.388
  481   2HG   MET  64          HG3       MET  64  13.948   4.292  -2.791
  482   1HE   MET  64          HE1       MET  64  16.100   7.235  -2.315
  483   2HE   MET  64          HE2       MET  64  15.243   8.352  -1.231
  484   3HE   MET  64          HE3       MET  64  15.952   6.869  -0.579
  485    H    GLN  65           H        GLN  65  16.170   1.854   0.845
  486    HA   GLN  65           HA       GLN  65  14.365   1.101   2.908
  487   1HB   GLN  65          HB2       GLN  65  17.017   0.033   1.878
  488   2HB   GLN  65          HB3       GLN  65  16.169  -0.746   3.217
  489   1HG   GLN  65          HG2       GLN  65  14.245  -1.231   1.821
  490   2HG   GLN  65          HG3       GLN  65  14.902  -0.301   0.479
  491   1HE2  GLN  65          HE21      GLN  65  15.908  -1.579  -1.107
  492   2HE2  GLN  65          HE22      GLN  65  16.640  -3.132  -0.786
  493    H    LYS  66           H        LYS  66  17.605   2.616   3.015
  494    HA   LYS  66           HA       LYS  66  17.952   2.453   5.859
  495   1HB   LYS  66          HB2       LYS  66  19.800   2.847   4.453
  496   2HB   LYS  66          HB3       LYS  66  19.077   4.206   3.654
  497   1HG   LYS  66          HG2       LYS  66  19.908   4.256   6.563
  498   2HG   LYS  66          HG3       LYS  66  20.967   4.659   5.209
  499   1HD   LYS  66          HD2       LYS  66  18.448   6.176   5.970
  500   2HD   LYS  66          HD3       LYS  66  20.093   6.683   6.272
  501   1HE   LYS  66          HE2       LYS  66  18.909   6.253   3.487
  502   2HE   LYS  66          HE3       LYS  66  18.968   7.803   4.317
  503   1HZ   LYS  66          HZ1       LYS  66  21.336   7.764   4.266
  504   2HZ   LYS  66          HZ2       LYS  66  21.397   6.237   3.673
  505   3HZ   LYS  66          HZ3       LYS  66  20.791   7.444   2.748
  506    H    GLN  67           H        GLN  67  16.317   4.916   3.743
  507    HA   GLN  67           HA       GLN  67  15.447   6.550   5.957
  508   1HB   GLN  67          HB2       GLN  67  14.088   6.171   3.253
  509   2HB   GLN  67          HB3       GLN  67  13.748   7.422   4.451
  510   1HG   GLN  67          HG2       GLN  67  16.199   8.142   4.251
  511   2HG   GLN  67          HG3       GLN  67  16.331   7.020   2.899
  512   1HE2  GLN  67          HE22      GLN  67  16.688   8.434   1.175
  513   2HE2  GLN  67          HE21      GLN  67  15.565   9.720   0.771
  514    H    GLY  68           H        GLY  68  14.091   3.669   4.424
  515   1HA   GLY  68          HA2       GLY  68  13.391   2.125   6.383
  516   2HA   GLY  68          HA3       GLY  68  12.106   3.310   6.622
  517    H    CYS  69           H        CYS  69  12.605   3.326   3.352
  518    HA   CYS  69           HA       CYS  69   9.991   2.393   2.832
  519   1HB   CYS  69          HB2       CYS  69  12.277   2.879   0.912
  520   2HB   CYS  69          HB3       CYS  69  10.561   2.997   0.533
  521    HG   CYS  69           HG       CYS  69  11.595   5.389   0.554
  522    H    ASP  70           H        ASP  70   9.712   1.081   0.715
  523    HA   ASP  70           HA       ASP  70  11.454  -1.267   0.403
  524   1HB   ASP  70          HB2       ASP  70   9.530  -2.101   1.712
  525   2HB   ASP  70          HB3       ASP  70   8.408  -1.333   0.581
  526    H    CYS  71           H        CYS  71  11.519  -1.783  -1.926
  527    HA   CYS  71           HA       CYS  71  10.232   0.191  -3.706
  528   1HB   CYS  71          HB2       CYS  71  13.267  -0.153  -3.499
  529   2HB   CYS  71          HB3       CYS  71  12.392   0.938  -4.579
  530    HG   CYS  71           HG       CYS  71  11.096   1.751  -2.100
  531    H    GLU  72           H        GLU  72  10.902  -0.156  -6.034
  532    HA   GLU  72           HA       GLU  72  12.261  -2.614  -6.723
  533   1HB   GLU  72          HB2       GLU  72  10.445  -3.451  -8.221
  534   2HB   GLU  72          HB3       GLU  72  10.142  -3.681  -6.502
  535   1HG   GLU  72          HG2       GLU  72   8.571  -1.751  -6.525
  536   2HG   GLU  72          HG3       GLU  72   8.888  -1.525  -8.247
  537    H    CYS  73           H        CYS  73  13.250  -2.363  -8.750
  538    HA   CYS  73           HA       CYS  73  13.005   0.193 -10.142
  539   1HB   CYS  73          HB2       CYS  73  14.475  -1.108 -11.842
  540   2HB   CYS  73          HB3       CYS  73  15.187  -0.673 -10.294
  541    HG   CYS  73           HG       CYS  73  15.887  -3.124 -11.192
  542    H    LEU  74           H        LEU  74  11.337   0.600 -11.502
  543    HA   LEU  74           HA       LEU  74   9.530  -1.542 -12.377
  544   1HB   LEU  74          HB2       LEU  74   9.663   1.422 -13.090
  545   2HB   LEU  74          HB3       LEU  74   8.385   0.305 -13.557
  546    HG   LEU  74           HG       LEU  74   9.056   1.238 -10.738
  547   1HD1  LEU  74          HD11      LEU  74   6.565   1.576 -12.462
  548   2HD1  LEU  74          HD12      LEU  74   6.814   2.217 -10.825
  549   3HD1  LEU  74          HD13      LEU  74   7.801   2.817 -12.169
  550   1HD2  LEU  74          HD21      LEU  74   7.033  -0.085 -10.024
  551   2HD2  LEU  74          HD22      LEU  74   7.027  -0.864 -11.618
  552   3HD2  LEU  74          HD23      LEU  74   8.397  -1.090 -10.502
  553    H    GLY  75           H        GLY  75  12.310   0.219 -13.605
  554   1HA   GLY  75          HA2       GLY  75  13.169  -1.602 -15.451
  555   2HA   GLY  75          HA3       GLY  75  12.093  -0.537 -16.371
  556    H    GLY  76           H        GLY  76  14.256   0.027 -17.430
  557   1HA   GLY  76          HA2       GLY  76  14.998   2.623 -16.412
  558   2HA   GLY  76          HA3       GLY  76  16.346   1.477 -16.319
  559    H    GLY  77           H        GLY  77  17.241   3.104 -17.874
  560   1HA   GLY  77          HA2       GLY  77  17.215   2.264 -20.588
  561   2HA   GLY  77          HA3       GLY  77  16.148   3.666 -20.387
  562    H    ARG  78           H        ARG  78  17.619   4.968 -21.618
  563    HA   ARG  78           HA       ARG  78  20.161   5.716 -20.269
  564   1HB   ARG  78          HB2       ARG  78  20.360   3.966 -22.076
  565   2HB   ARG  78          HB3       ARG  78  19.724   5.139 -23.232
  566   1HG   ARG  78          HG2       ARG  78  21.710   6.542 -22.955
  567   2HG   ARG  78          HG3       ARG  78  22.278   5.528 -21.599
  568   1HD   ARG  78          HD2       ARG  78  22.430   3.574 -23.056
  569   2HD   ARG  78          HD3       ARG  78  21.784   4.512 -24.414
  570    HE   ARG  78           HE       ARG  78  24.210   5.625 -23.252
  571   1HH1  ARG  78          HH11      ARG  78  22.903   3.335 -25.685
  572   2HH1  ARG  78          HH12      ARG  78  24.363   3.321 -26.615
  573   1HH2  ARG  78          HH21      ARG  78  26.136   5.579 -24.533
  574   2HH2  ARG  78          HH22      ARG  78  26.210   4.630 -25.965
  575    H    ILE  79           H        ILE  79  20.875   7.885 -20.850
  576    HA   ILE  79           HA       ILE  79  18.704   9.647 -21.822
  577    HB   ILE  79           HB       ILE  79  20.175   9.798 -19.153
  578   1HG1  ILE  79          HG12      ILE  79  17.269   9.394 -19.947
  579   2HG1  ILE  79          HG13      ILE  79  18.297   8.299 -19.035
  580   1HG2  ILE  79          HG21      ILE  79  18.274  11.835 -20.408
  581   2HG2  ILE  79          HG22      ILE  79  18.963  11.946 -18.776
  582   3HG2  ILE  79          HG23      ILE  79  20.021  12.077 -20.158
  583   1HD1  ILE  79          HD11      ILE  79  16.705   9.287 -17.533
  584   2HD1  ILE  79          HD12      ILE  79  18.305   9.954 -17.139
  585   3HD1  ILE  79          HD13      ILE  79  17.109  10.920 -18.043
  586    H    SER  80           H        SER  80  19.437  11.474 -22.851
  587    HA   SER  80           HA       SER  80  22.354  11.947 -23.082
  588   1HB   SER  80          HB2       SER  80  20.459  11.466 -25.426
  589   2HB   SER  80          HB3       SER  80  22.153  11.968 -25.548
  590    HG   SER  80           HG       SER  80  21.897   9.723 -25.838
  591    H    HIS  81           H        HIS  81  22.888  13.978 -23.867
  592    HA   HIS  81           HA       HIS  81  21.134  15.817 -25.111
  593   1HB   HIS  81          HB2       HIS  81  21.275  17.653 -23.515
  594   2HB   HIS  81          HB3       HIS  81  20.308  16.342 -22.890
  595    HD1  HIS  81           HD1      HIS  81  23.350  14.909 -21.888
  596    HD2  HIS  81           HD2      HIS  81  21.328  18.471 -20.900
  597    HE1  HIS  81           HE1      HIS  81  24.179  15.594 -19.584
  598    H    GLN  82           H        GLN  82  22.495  17.655 -25.925
  599    HA   GLN  82           HA       GLN  82  25.428  17.260 -25.657
  600   1HB   GLN  82          HB2       GLN  82  23.869  17.014 -28.279
  601   2HB   GLN  82          HB3       GLN  82  25.628  17.101 -28.140
  602   1HG   GLN  82          HG2       GLN  82  25.595  14.988 -26.796
  603   2HG   GLN  82          HG3       GLN  82  23.866  14.834 -27.127
  604   1HE2  GLN  82          HE22      GLN  82  26.462  13.290 -28.010
  605   2HE2  GLN  82          HE21      GLN  82  26.219  13.093 -29.726
  606    H    SER  83           H        SER  83  26.599  19.033 -26.948
  607    HA   SER  83           HA       SER  83  25.513  21.616 -26.624
  608   1HB   SER  83          HB2       SER  83  27.585  20.752 -28.678
  609   2HB   SER  83          HB3       SER  83  27.408  22.346 -27.921
  610    HG   SER  83           HG       SER  83  29.077  21.101 -26.956
  611    H    GLN  84           H        GLN  84  25.173  19.276 -29.272
  612    HA   GLN  84           HA       GLN  84  24.117  20.991 -31.266
  613   1HB   GLN  84          HB2       GLN  84  24.968  18.664 -31.586
  614   2HB   GLN  84          HB3       GLN  84  23.548  18.037 -30.738
  615   1HG   GLN  84          HG2       GLN  84  22.079  18.977 -32.503
  616   2HG   GLN  84          HG3       GLN  84  23.486  19.665 -33.318
  617   1HE2  GLN  84          HE22      GLN  84  21.678  16.689 -32.660
  618   2HE2  GLN  84          HE21      GLN  84  22.576  15.671 -33.754
  619    H    ASP  85           H        ASP  85  22.562  19.345 -28.473
  620    HA   ASP  85           HA       ASP  85  20.314  21.138 -28.566
  621   1HB   ASP  85          HB2       ASP  85  19.423  19.569 -30.204
  622   2HB   ASP  85          HB3       ASP  85  19.824  18.193 -29.167
  623    H    LYS  86           H        LYS  86  20.381  21.669 -26.470
  624    HA   LYS  86           HA       LYS  86  21.362  19.814 -24.471
  625   1HB   LYS  86          HB2       LYS  86  21.209  21.645 -22.933
  626   2HB   LYS  86          HB3       LYS  86  21.945  22.203 -24.435
  627   1HG   LYS  86          HG2       LYS  86  19.743  23.209 -25.112
  628   2HG   LYS  86          HG3       LYS  86  19.047  22.640 -23.591
  629   1HD   LYS  86          HD2       LYS  86  20.931  23.998 -22.418
  630   2HD   LYS  86          HD3       LYS  86  21.229  24.716 -24.003
  631   1HE   LYS  86          HE2       LYS  86  19.785  26.208 -22.824
  632   2HE   LYS  86          HE3       LYS  86  18.793  25.427 -24.063
  633   1HZ   LYS  86          HZ1       LYS  86  17.942  23.933 -22.315
  634   2HZ   LYS  86          HZ2       LYS  86  18.918  24.555 -21.225
  635   3HZ   LYS  86          HZ3       LYS  86  17.715  25.507 -21.854
  636    H    LYS  87           H        LYS  87  18.200  20.360 -25.769
  637    HA   LYS  87           HA       LYS  87  16.593  19.868 -23.422
  638   1HB   LYS  87          HB2       LYS  87  15.627  20.687 -25.543
  639   2HB   LYS  87          HB3       LYS  87  16.210  19.258 -26.371
  640   1HG   LYS  87          HG2       LYS  87  14.611  18.091 -24.434
  641   2HG   LYS  87          HG3       LYS  87  13.806  19.631 -24.693
  642   1HD   LYS  87          HD2       LYS  87  12.765  18.296 -26.251
  643   2HD   LYS  87          HD3       LYS  87  14.004  19.027 -27.255
  644   1HE   LYS  87          HE2       LYS  87  14.039  16.239 -25.987
  645   2HE   LYS  87          HE3       LYS  87  13.737  16.613 -27.678
  646   1HZ   LYS  87          HZ1       LYS  87  16.092  17.480 -27.759
  647   2HZ   LYS  87          HZ2       LYS  87  16.319  16.864 -26.256
  648   3HZ   LYS  87          HZ3       LYS  87  15.939  15.872 -27.492
  649    H    ILE  88           H        ILE  88  16.338  17.970 -22.327
  650    HA   ILE  88           HA       ILE  88  18.254  15.875 -22.803
  651    HB   ILE  88           HB       ILE  88  15.931  16.099 -20.852
  652   1HG1  ILE  88          HG12      ILE  88  18.899  16.723 -20.481
  653   2HG1  ILE  88          HG13      ILE  88  17.629  17.930 -20.653
  654   1HG2  ILE  88          HG21      ILE  88  16.653  13.734 -21.031
  655   2HG2  ILE  88          HG22      ILE  88  18.343  14.235 -20.773
  656   3HG2  ILE  88          HG23      ILE  88  17.124  14.395 -19.489
  657   1HD1  ILE  88          HD11      ILE  88  18.001  16.060 -18.308
  658   2HD1  ILE  88          HD12      ILE  88  18.140  17.819 -18.359
  659   3HD1  ILE  88          HD13      ILE  88  16.547  17.063 -18.563
  660    H    HIS  89           H        HIS  89  17.716  13.566 -23.180
  661    HA   HIS  89           HA       HIS  89  15.030  13.030 -24.258
  662   1HB   HIS  89          HB2       HIS  89  16.599  13.584 -26.181
  663   2HB   HIS  89          HB3       HIS  89  17.566  12.183 -25.714
  664    HD1  HIS  89           HD1      HIS  89  13.912  12.965 -26.830
  665    HD2  HIS  89           HD2      HIS  89  16.804   9.894 -26.788
  666    HE1  HIS  89           HE1      HIS  89  12.954  11.049 -28.206
  667    H    VAL  90           H        VAL  90  14.444  10.822 -23.952
  668    HA   VAL  90           HA       VAL  90  16.273   9.165 -22.276
  669    HB   VAL  90           HB       VAL  90  13.263   9.518 -21.921
  670   1HG1  VAL  90          HG11      VAL  90  14.118   7.340 -21.156
  671   2HG1  VAL  90          HG12      VAL  90  15.346   8.143 -20.163
  672   3HG1  VAL  90          HG13      VAL  90  13.623   8.339 -19.782
  673   1HG2  VAL  90          HG21      VAL  90  15.505  10.788 -20.293
  674   2HG2  VAL  90          HG22      VAL  90  14.265  11.617 -21.251
  675   3HG2  VAL  90          HG23      VAL  90  13.797  10.728 -19.805
  676    H    TYR  91           H        TYR  91  16.362   6.989 -22.972
  677    HA   TYR  91           HA       TYR  91  14.375   5.939 -24.837
  678   1HB   TYR  91          HB2       TYR  91  15.758   5.846 -26.756
  679   2HB   TYR  91          HB3       TYR  91  15.773   7.502 -26.235
  680    HD1  TYR  91           HD1      TYR  91  17.856   8.109 -24.529
  681    HD2  TYR  91           HD2      TYR  91  17.773   4.906 -27.416
  682    HE1  TYR  91           HE1      TYR  91  20.311   8.066 -24.540
  683    HE2  TYR  91           HE2      TYR  91  20.249   4.915 -27.501
  684    HH   TYR  91           HH       TYR  91  22.196   5.949 -26.759
  685    H    GLY  92           H        GLY  92  15.626   3.817 -25.902
  686   1HA   GLY  92          HA2       GLY  92  16.673   1.831 -25.535
  687   2HA   GLY  92          HA3       GLY  92  17.602   2.601 -24.244
  688    H    TYR  93           H        TYR  93  17.421   0.559 -23.149
  689    HA   TYR  93           HA       TYR  93  15.065   0.274 -21.455
  690   1HB   TYR  93          HB2       TYR  93  14.898  -2.153 -21.982
  691   2HB   TYR  93          HB3       TYR  93  14.413  -1.137 -23.325
  692    HD1  TYR  93           HD1      TYR  93  16.821  -3.645 -22.133
  693    HD2  TYR  93           HD2      TYR  93  15.846  -0.965 -25.374
  694    HE1  TYR  93           HE1      TYR  93  18.379  -4.870 -23.604
  695    HE2  TYR  93           HE2      TYR  93  17.402  -2.184 -26.854
  696    HH   TYR  93           HH       TYR  93  19.304  -5.028 -25.743
  697    H    SER  94           H        SER  94  15.640  -0.976 -19.518
  698    HA   SER  94           HA       SER  94  18.406  -0.785 -18.849
  699   1HB   SER  94          HB2       SER  94  16.918  -0.560 -17.058
  700   2HB   SER  94          HB3       SER  94  16.065  -2.068 -17.440
  701    HG   SER  94           HG       SER  94  17.801  -1.964 -15.679
  702    H    MET  95           H        MET  95  20.002  -2.167 -19.081
  703    HA   MET  95           HA       MET  95  19.978  -4.574 -20.532
  704   1HB   MET  95          HB2       MET  95  21.950  -3.135 -19.946
  705   2HB   MET  95          HB3       MET  95  21.843  -3.708 -18.278
  706   1HG   MET  95          HG2       MET  95  22.312  -6.015 -19.028
  707   2HG   MET  95          HG3       MET  95  22.316  -5.477 -20.708
  708   1HE   MET  95          HE1       MET  95  24.172  -5.544 -17.268
  709   2HE   MET  95          HE2       MET  95  25.610  -4.544 -17.561
  710   3HE   MET  95          HE3       MET  95  24.012  -3.781 -17.446
  711    H    ALA  96           H        ALA  96  19.045  -3.985 -17.161
  712    HA   ALA  96           HA       ALA  96  19.110  -6.919 -16.585
  713   1HB   ALA  96          HB1       ALA  96  20.635  -5.535 -15.225
  714   2HB   ALA  96          HB2       ALA  96  19.261  -4.528 -14.703
  715   3HB   ALA  96          HB3       ALA  96  19.338  -6.239 -14.239
  716    H    TYR  97           H        TYR  97  17.020  -4.068 -16.688
  717    HA   TYR  97           HA       TYR  97  14.787  -5.671 -15.518
  718   1HB   TYR  97          HB2       TYR  97  15.300  -2.710 -15.126
  719   2HB   TYR  97          HB3       TYR  97  14.093  -3.698 -14.315
  720    HD1  TYR  97           HD1      TYR  97  15.404  -6.015 -13.276
  721    HD2  TYR  97           HD2      TYR  97  16.934  -1.990 -13.590
  722    HE1  TYR  97           HE1      TYR  97  17.025  -6.497 -11.476
  723    HE2  TYR  97           HE2      TYR  97  18.547  -2.456 -11.788
  724    HH   TYR  97           HH       TYR  97  19.379  -4.079 -10.275
  725    H    GLY  98           H        GLY  98  15.666  -4.410 -18.457
  726   1HA   GLY  98          HA2       GLY  98  14.401  -4.103 -20.342
  727   2HA   GLY  98          HA3       GLY  98  12.952  -4.495 -19.412
  728    HA   PRO  99           HA       PRO  99  13.111   0.055 -20.526
  729   1HB   PRO  99          HB2       PRO  99  10.720   0.279 -21.859
  730   2HB   PRO  99          HB3       PRO  99  12.244  -0.227 -22.643
  731   1HG   PRO  99          HG2       PRO  99   9.999  -1.981 -21.619
  732   2HG   PRO  99          HG3       PRO  99  10.879  -2.099 -23.174
  733   1HD   PRO  99          HD2       PRO  99  11.485  -3.653 -20.997
  734   2HD   PRO  99          HD3       PRO  99  12.739  -3.105 -22.148
  735    H    ALA 100           H        ALA 100  12.430   1.499 -19.072
  736    HA   ALA 100           HA       ALA 100  10.445   0.903 -17.017
  737   1HB   ALA 100          HB1       ALA 100  11.772   3.493 -17.903
  738   2HB   ALA 100          HB2       ALA 100  10.941   3.249 -16.361
  739   3HB   ALA 100          HB3       ALA 100  12.461   2.412 -16.681
  740    H    GLN 101           H        GLN 101   8.733   2.648 -16.644
  741    HA   GLN 101           HA       GLN 101   7.087   3.175 -19.030
  742   1HB   GLN 101          HB2       GLN 101   6.789   3.765 -16.044
  743   2HB   GLN 101          HB3       GLN 101   5.695   4.431 -17.263
  744   1HG   GLN 101          HG2       GLN 101   5.030   2.229 -18.001
  745   2HG   GLN 101          HG3       GLN 101   6.181   1.453 -16.899
  746   1HE2  GLN 101          HE22      GLN 101   3.191   3.461 -17.018
  747   2HE2  GLN 101          HE21      GLN 101   2.638   3.028 -15.422
  748    H    HIS 102           H        HIS 102   9.043   4.298 -19.996
  749    HA   HIS 102           HA       HIS 102  10.292   6.508 -18.885
  750   1HB   HIS 102          HB2       HIS 102   9.745   5.843 -21.790
  751   2HB   HIS 102          HB3       HIS 102  10.853   7.117 -21.276
  752    HD1  HIS 102           HD1      HIS 102  11.002   3.516 -22.102
  753    HD2  HIS 102           HD2      HIS 102  12.767   6.145 -19.334
  754    HE1  HIS 102           HE1      HIS 102  13.098   2.353 -21.220
  755    H    ALA 103           H        ALA 103   7.055   6.470 -20.168
  756    HA   ALA 103           HA       ALA 103   6.610   9.201 -20.688
  757   1HB   ALA 103          HB1       ALA 103   4.937   7.459 -21.096
  758   2HB   ALA 103          HB2       ALA 103   4.817   7.116 -19.352
  759   3HB   ALA 103          HB3       ALA 103   4.275   8.683 -19.996
  760    H    ILE 104           H        ILE 104   6.872   7.432 -17.569
  761    HA   ILE 104           HA       ILE 104   6.141   9.613 -15.842
  762    HB   ILE 104           HB       ILE 104   7.988   7.229 -15.346
  763   1HG1  ILE 104          HG12      ILE 104   5.662   6.546 -16.013
  764   2HG1  ILE 104          HG13      ILE 104   6.160   6.021 -14.414
  765   1HG2  ILE 104          HG21      ILE 104   8.420   8.841 -13.634
  766   2HG2  ILE 104          HG22      ILE 104   6.697   9.183 -13.405
  767   3HG2  ILE 104          HG23      ILE 104   7.368   7.613 -12.918
  768   1HD1  ILE 104          HD11      ILE 104   4.825   7.676 -13.331
  769   2HD1  ILE 104          HD12      ILE 104   4.477   8.520 -14.869
  770   3HD1  ILE 104          HD13      ILE 104   3.812   6.889 -14.554
  771    H    SER 105           H        SER 105   9.312   8.325 -17.023
  772    HA   SER 105           HA       SER 105  10.949  10.096 -15.694
  773   1HB   SER 105          HB2       SER 105  11.382   8.905 -18.464
  774   2HB   SER 105          HB3       SER 105  12.610   9.418 -17.312
  775    HG   SER 105           HG       SER 105  12.260   7.162 -17.031
  776    H    THR 106           H        THR 106   9.575  10.512 -19.024
  777    HA   THR 106           HA       THR 106  10.533  13.157 -19.365
  778    HB   THR 106           HB       THR 106   8.375  13.326 -20.885
  779    HG1  THR 106           HG1      THR 106   7.413  11.384 -20.006
  780   1HG2  THR 106          HG21      THR 106  10.596  13.172 -21.783
  781   2HG2  THR 106          HG22      THR 106  10.714  11.443 -21.380
  782   3HG2  THR 106          HG23      THR 106   9.577  12.007 -22.631
  783    H    GLU 107           H        GLU 107   7.392  12.089 -17.855
  784    HA   GLU 107           HA       GLU 107   6.388  14.718 -17.557
  785   1HB   GLU 107          HB2       GLU 107   5.846  12.060 -16.141
  786   2HB   GLU 107          HB3       GLU 107   5.079  13.541 -15.591
  787   1HG   GLU 107          HG2       GLU 107   4.899  12.543 -18.464
  788   2HG   GLU 107          HG3       GLU 107   3.730  12.156 -17.207
  789    H    LYS 108           H        LYS 108   8.350  12.721 -15.329
  790    HA   LYS 108           HA       LYS 108   8.367  14.652 -13.200
  791   1HB   LYS 108          HB2       LYS 108  10.250  12.342 -13.889
  792   2HB   LYS 108          HB3       LYS 108  10.286  13.244 -12.379
  793   1HG   LYS 108          HG2       LYS 108   7.979  11.504 -13.320
  794   2HG   LYS 108          HG3       LYS 108   9.179  11.125 -12.098
  795   1HD   LYS 108          HD2       LYS 108   8.236  13.430 -11.021
  796   2HD   LYS 108          HD3       LYS 108   6.834  13.026 -12.016
  797   1HE   LYS 108          HE2       LYS 108   6.472  12.064  -9.835
  798   2HE   LYS 108          HE3       LYS 108   6.813  10.731 -10.951
  799   1HZ   LYS 108          HZ1       LYS 108   8.713  11.972  -9.020
  800   2HZ   LYS 108          HZ2       LYS 108   8.128  10.448  -8.941
  801   3HZ   LYS 108          HZ3       LYS 108   9.159  10.857 -10.128
  802    H    ILE 109           H        ILE 109  10.777  13.912 -15.799
  803    HA   ILE 109           HA       ILE 109  12.622  15.895 -14.851
  804    HB   ILE 109           HB       ILE 109  12.327  14.377 -17.441
  805   1HG1  ILE 109          HG12      ILE 109  14.511  14.210 -15.316
  806   2HG1  ILE 109          HG13      ILE 109  13.062  13.205 -15.297
  807   1HG2  ILE 109          HG21      ILE 109  14.483  15.198 -18.221
  808   2HG2  ILE 109          HG22      ILE 109  13.458  16.596 -17.936
  809   3HG2  ILE 109          HG23      ILE 109  14.705  16.154 -16.753
  810   1HD1  ILE 109          HD11      ILE 109  13.664  12.289 -17.542
  811   2HD1  ILE 109          HD12      ILE 109  15.187  13.207 -17.480
  812   3HD1  ILE 109          HD13      ILE 109  14.868  11.946 -16.286
  813    H    LYS 110           H        LYS 110   9.848  16.115 -17.236
  814    HA   LYS 110           HA       LYS 110  10.423  18.875 -17.847
  815   1HB   LYS 110          HB2       LYS 110   7.823  17.277 -17.918
  816   2HB   LYS 110          HB3       LYS 110   7.891  19.007 -18.240
  817   1HG   LYS 110          HG2       LYS 110   9.732  18.444 -19.989
  818   2HG   LYS 110          HG3       LYS 110   9.181  16.773 -19.821
  819   1HD   LYS 110          HD2       LYS 110   8.168  17.809 -21.755
  820   2HD   LYS 110          HD3       LYS 110   6.920  17.428 -20.558
  821   1HE   LYS 110          HE2       LYS 110   6.708  19.727 -19.896
  822   2HE   LYS 110          HE3       LYS 110   8.204  20.190 -20.720
  823   1HZ   LYS 110          HZ1       LYS 110   5.847  19.221 -22.212
  824   2HZ   LYS 110          HZ2       LYS 110   6.097  20.797 -21.872
  825   3HZ   LYS 110          HZ3       LYS 110   7.180  20.016 -22.797
  826    H    ALA 111           H        ALA 111   8.396  17.382 -15.251
  827    HA   ALA 111           HA       ALA 111   7.435  19.807 -14.217
  828   1HB   ALA 111          HB1       ALA 111   6.521  17.609 -13.605
  829   2HB   ALA 111          HB2       ALA 111   8.016  17.206 -12.731
  830   3HB   ALA 111          HB3       ALA 111   6.977  18.526 -12.159
  831    H    LYS 112           H        LYS 112  10.498  18.087 -13.435
  832    HA   LYS 112           HA       LYS 112  11.201  20.170 -11.465
  833   1HB   LYS 112          HB2       LYS 112  12.361  17.485 -12.255
  834   2HB   LYS 112          HB3       LYS 112  13.366  18.661 -11.418
  835   1HG   LYS 112          HG2       LYS 112  12.434  17.276  -9.736
  836   2HG   LYS 112          HG3       LYS 112  11.689  18.864  -9.606
  837   1HD   LYS 112          HD2       LYS 112   9.659  17.922 -10.830
  838   2HD   LYS 112          HD3       LYS 112  10.441  16.329 -10.754
  839   1HE   LYS 112          HE2       LYS 112  10.573  16.695  -8.217
  840   2HE   LYS 112          HE3       LYS 112   9.590  18.143  -8.448
  841   1HZ   LYS 112          HZ1       LYS 112   8.805  15.344  -9.023
  842   2HZ   LYS 112          HZ2       LYS 112   8.174  16.327  -7.880
  843   3HZ   LYS 112          HZ3       LYS 112   7.878  16.649  -9.451
  844    H    TYR 113           H        TYR 113  11.776  19.620 -14.813
  845    HA   TYR 113           HA       TYR 113  13.185  20.346 -16.314
  846   1HB   TYR 113          HB2       TYR 113  13.297  22.820 -16.569
  847   2HB   TYR 113          HB3       TYR 113  11.715  22.092 -16.469
  848    HD1  TYR 113           HD1      TYR 113  14.045  24.433 -14.850
  849    HD2  TYR 113           HD2      TYR 113  10.244  22.420 -14.514
  850    HE1  TYR 113           HE1      TYR 113  13.367  26.021 -13.076
  851    HE2  TYR 113           HE2      TYR 113   9.556  23.993 -12.737
  852    HH   TYR 113           HH       TYR 113  10.164  25.837 -11.442
  853    HA   PRO 114           HA       PRO 114  17.149  20.203 -13.861
  854   1HB   PRO 114          HB2       PRO 114  17.419  18.057 -15.973
  855   2HB   PRO 114          HB3       PRO 114  18.127  18.105 -14.325
  856   1HG   PRO 114          HG2       PRO 114  15.929  16.613 -14.788
  857   2HG   PRO 114          HG3       PRO 114  15.988  17.658 -13.333
  858   1HD   PRO 114          HD2       PRO 114  14.646  18.242 -15.993
  859   2HD   PRO 114          HD3       PRO 114  14.018  18.423 -14.329
  860    H    ASP 115           H        ASP 115  16.100  20.474 -17.213
  861    HA   ASP 115           HA       ASP 115  18.296  22.428 -17.673
  862   1HB   ASP 115          HB2       ASP 115  18.996  20.563 -19.027
  863   2HB   ASP 115          HB3       ASP 115  17.367  20.355 -19.691
  864    H    TYR 116           H        TYR 116  15.359  21.255 -19.442
  865    HA   TYR 116           HA       TYR 116  13.819  23.619 -18.775
  866   1HB   TYR 116          HB2       TYR 116  15.299  24.619 -20.474
  867   2HB   TYR 116          HB3       TYR 116  14.953  23.309 -21.592
  868    HD1  TYR 116           HD1      TYR 116  13.274  26.060 -19.643
  869    HD2  TYR 116           HD2      TYR 116  13.184  23.552 -23.156
  870    HE1  TYR 116           HE1      TYR 116  11.354  27.356 -20.510
  871    HE2  TYR 116           HE2      TYR 116  11.260  24.840 -24.032
  872    HH   TYR 116           HH       TYR 116   9.820  27.613 -22.247
  873    H    GLU 117           H        GLU 117  14.279  20.990 -21.239
  874    HA   GLU 117           HA       GLU 117  11.619  19.916 -20.688
  875   1HB   GLU 117          HB2       GLU 117  11.149  21.717 -22.275
  876   2HB   GLU 117          HB3       GLU 117  12.396  21.136 -23.382
  877   1HG   GLU 117          HG2       GLU 117  11.107  19.208 -23.969
  878   2HG   GLU 117          HG3       GLU 117  10.044  19.401 -22.570
  879    H    VAL 118           H        VAL 118  11.331  17.908 -22.141
  880    HA   VAL 118           HA       VAL 118  13.766  16.543 -22.893
  881    HB   VAL 118           HB       VAL 118  13.739  16.275 -20.473
  882   1HG1  VAL 118          HG11      VAL 118  11.835  15.012 -19.375
  883   2HG1  VAL 118          HG12      VAL 118  11.521  16.686 -19.809
  884   3HG1  VAL 118          HG13      VAL 118  10.867  15.357 -20.799
  885   1HG2  VAL 118          HG21      VAL 118  13.831  13.904 -20.215
  886   2HG2  VAL 118          HG22      VAL 118  12.797  13.631 -21.623
  887   3HG2  VAL 118          HG23      VAL 118  14.423  14.289 -21.834
  888    H    THR 119           H        THR 119  13.187  14.496 -24.045
  889    HA   THR 119           HA       THR 119  10.312  13.964 -24.465
  890    HB   THR 119           HB       THR 119  10.849  13.478 -26.898
  891    HG1  THR 119           HG1      THR 119  12.614  14.552 -27.772
  892   1HG2  THR 119          HG21      THR 119  10.549  15.759 -27.656
  893   2HG2  THR 119          HG22      THR 119   9.576  15.469 -26.204
  894   3HG2  THR 119          HG23      THR 119  11.090  16.399 -26.087
  895    H    TRP 120           H        TRP 120  10.259  11.684 -25.754
  896    HA   TRP 120           HA       TRP 120  12.579  10.086 -25.071
  897   1HB   TRP 120          HB2       TRP 120  11.509   8.356 -23.887
  898   2HB   TRP 120          HB3       TRP 120  11.016   9.823 -23.084
  899    HD1  TRP 120           HD1      TRP 120   8.375  10.625 -24.021
  900    HE1  TRP 120           HE1      TRP 120   6.314   9.125 -24.093
  901    HE3  TRP 120           HE3      TRP 120  10.721   6.090 -24.377
  902    HZ2  TRP 120           HZ2      TRP 120   5.745   6.277 -24.199
  903    HZ3  TRP 120           HZ3      TRP 120   9.395   3.999 -24.410
  904    HH2  TRP 120           HH2      TRP 120   6.913   4.077 -24.317
  905    H    ALA 121           H        ALA 121  12.457   7.883 -26.032
  906    HA   ALA 121           HA       ALA 121  10.461   7.510 -28.133
  907   1HB   ALA 121          HB1       ALA 121  12.313   8.629 -29.363
  908   2HB   ALA 121          HB2       ALA 121  13.471   7.445 -28.710
  909   3HB   ALA 121          HB3       ALA 121  12.196   6.921 -29.828
  910    H    ASN 122           H        ASN 122  10.108   5.318 -28.500
  911    HA   ASN 122           HA       ASN 122  11.051   3.571 -26.332
  912   1HB   ASN 122          HB2       ASN 122   8.618   3.898 -26.834
  913   2HB   ASN 122          HB3       ASN 122   8.873   3.159 -28.415
  914   1HD2  ASN 122          HD22      ASN 122   7.500   1.324 -27.995
  915   2HD2  ASN 122          HD21      ASN 122   7.925   0.100 -26.829
  916    H    ASP 123           H        ASP 123  13.189   3.958 -27.902
  917    HA   ASP 123           HA       ASP 123  13.621   1.435 -29.329
  918   1HB   ASP 123          HB2       ASP 123  12.590   3.217 -30.957
  919   2HB   ASP 123          HB3       ASP 123  14.159   4.021 -30.797
  920    H    GLY 124           H        GLY 124  15.967   1.718 -30.349
  921   1HA   GLY 124          HA2       GLY 124  18.238   1.975 -30.004
  922   2HA   GLY 124          HA3       GLY 124  17.906   3.327 -28.924
  923    H    TYR 125           H        TYR 125  19.693   2.397 -27.635
  924    HA   TYR 125           HA       TYR 125  18.784   0.568 -25.554
  925   1HB   TYR 125          HB2       TYR 125  19.734  -1.058 -27.054
  926   2HB   TYR 125          HB3       TYR 125  21.094  -0.009 -27.435
  927    HD1  TYR 125           HD1      TYR 125  23.126  -0.719 -26.573
  928    HD2  TYR 125           HD2      TYR 125  19.543  -1.391 -24.259
  929    HE1  TYR 125           HE1      TYR 125  24.477  -1.789 -24.798
  930    HE2  TYR 125           HE2      TYR 125  20.882  -2.459 -22.480
  931    HH   TYR 125           HH       TYR 125  23.031  -3.103 -21.794
  Start of MODEL    6
    1   1H    MET   1          H1        MET   1  14.321   8.150  16.356
    2   2H    MET   1          H2        MET   1  15.848   8.750  16.225
    3   3H    MET   1          H3        MET   1  14.653   9.659  16.885
    4    HA   MET   1           HA       MET   1  15.151  10.408  14.691
    5   1HB   MET   1          HB2       MET   1  14.916   9.098  12.764
    6   2HB   MET   1          HB3       MET   1  15.857   8.116  13.865
    7   1HG   MET   1          HG2       MET   1  12.900   7.786  13.196
    8   2HG   MET   1          HG3       MET   1  14.229   6.800  12.618
    9   1HE   MET   1          HE1       MET   1  11.532   5.645  13.823
   10   2HE   MET   1          HE2       MET   1  12.862   4.637  13.207
   11   3HE   MET   1          HE3       MET   1  12.167   4.311  14.811
   12    H    ALA   2           H        ALA   2  13.222  10.550  12.844
   13    HA   ALA   2           HA       ALA   2  10.561  10.359  14.081
   14   1HB   ALA   2          HB1       ALA   2  11.293  12.690  14.553
   15   2HB   ALA   2          HB2       ALA   2  11.676  12.918  12.830
   16   3HB   ALA   2          HB3       ALA   2   9.997  12.657  13.344
   17    H    VAL   3           H        VAL   3   8.890  10.571  12.325
   18    HA   VAL   3           HA       VAL   3   9.597   8.951  10.090
   19    HB   VAL   3           HB       VAL   3   7.206   9.452   9.422
   20   1HG1  VAL   3          HG11      VAL   3   7.801   7.456  10.647
   21   2HG1  VAL   3          HG12      VAL   3   7.731   8.331  12.198
   22   3HG1  VAL   3          HG13      VAL   3   6.259   8.095  11.236
   23   1HG2  VAL   3          HG21      VAL   3   6.991  10.828  12.132
   24   2HG2  VAL   3          HG22      VAL   3   6.967  11.668  10.562
   25   3HG2  VAL   3          HG23      VAL   3   5.699  10.505  10.967
   26    H    ALA   4           H        ALA   4   8.812   9.532   7.877
   27    HA   ALA   4           HA       ALA   4   9.137  12.279   6.998
   28   1HB   ALA   4          HB1       ALA   4  11.434  11.366   6.693
   29   2HB   ALA   4          HB2       ALA   4  10.788  10.010   5.749
   30   3HB   ALA   4          HB3       ALA   4  10.648  11.661   5.139
   31    H    ASP   5           H        ASP   5   8.600  11.866   4.322
   32    HA   ASP   5           HA       ASP   5   6.315   9.996   4.155
   33   1HB   ASP   5          HB2       ASP   5   5.354  12.068   5.086
   34   2HB   ASP   5          HB3       ASP   5   6.110  13.018   3.805
   35    H    LEU   6           H        LEU   6   5.689   9.642   1.948
   36    HA   LEU   6           HA       LEU   6   7.747   9.368   0.106
   37   1HB   LEU   6          HB2       LEU   6   4.731   9.611  -0.251
   38   2HB   LEU   6          HB3       LEU   6   5.825   9.273  -1.564
   39    HG   LEU   6           HG       LEU   6   5.293   7.469   0.797
   40   1HD1  LEU   6          HD11      LEU   6   4.638   7.383  -2.192
   41   2HD1  LEU   6          HD12      LEU   6   4.516   5.974  -1.138
   42   3HD1  LEU   6          HD13      LEU   6   3.523   7.406  -0.823
   43   1HD2  LEU   6          HD21      LEU   6   7.320   7.125  -1.452
   44   2HD2  LEU   6          HD22      LEU   6   7.624   7.140   0.302
   45   3HD2  LEU   6          HD23      LEU   6   6.739   5.803  -0.422
   46    H    ALA   7           H        ALA   7   5.623  12.220   0.552
   47    HA   ALA   7           HA       ALA   7   6.273  13.430  -1.939
   48   1HB   ALA   7          HB1       ALA   7   5.317  14.712   0.656
   49   2HB   ALA   7          HB2       ALA   7   5.261  15.447  -0.958
   50   3HB   ALA   7          HB3       ALA   7   4.272  14.016  -0.608
   51    H    LEU   8           H        LEU   8   8.057  13.213   1.071
   52    HA   LEU   8           HA       LEU   8   9.658  15.636   0.607
   53   1HB   LEU   8          HB2       LEU   8  10.030  13.389   2.629
   54   2HB   LEU   8          HB3       LEU   8  10.877  14.928   2.614
   55    HG   LEU   8           HG       LEU   8   7.898  14.531   3.120
   56   1HD1  LEU   8          HD11      LEU   8  10.139  15.447   4.971
   57   2HD1  LEU   8          HD12      LEU   8   8.422  15.265   5.396
   58   3HD1  LEU   8          HD13      LEU   8   9.387  13.842   4.979
   59   1HD2  LEU   8          HD21      LEU   8   7.874  16.956   3.701
   60   2HD2  LEU   8          HD22      LEU   8   9.535  17.107   3.082
   61   3HD2  LEU   8          HD23      LEU   8   8.196  16.681   1.990
   62    H    ILE   9           H        ILE   9   9.735  12.319  -0.398
   63    HA   ILE   9           HA       ILE   9  12.513  11.831  -0.446
   64    HB   ILE   9           HB       ILE   9  10.233  10.719  -2.126
   65   1HG1  ILE   9          HG12      ILE   9  11.655   9.757   0.407
   66   2HG1  ILE   9          HG13      ILE   9   9.989  10.349   0.301
   67   1HG2  ILE   9          HG21      ILE   9  13.060   9.680  -1.824
   68   2HG2  ILE   9          HG22      ILE   9  11.739   8.831  -2.655
   69   3HG2  ILE   9          HG23      ILE   9  12.351  10.338  -3.311
   70   1HD1  ILE   9          HD11      ILE   9  11.086   7.740  -0.768
   71   2HD1  ILE   9          HD12      ILE   9   9.865   8.000   0.479
   72   3HD1  ILE   9          HD13      ILE   9   9.484   8.383  -1.217
   73    HA   PRO  10           HA       PRO  10  13.677  14.579  -3.908
   74   1HB   PRO  10          HB2       PRO  10  15.940  12.618  -4.227
   75   2HB   PRO  10          HB3       PRO  10  15.982  14.400  -4.156
   76   1HG   PRO  10          HG2       PRO  10  16.715  12.887  -2.011
   77   2HG   PRO  10          HG3       PRO  10  15.777  14.399  -1.797
   78   1HD   PRO  10          HD2       PRO  10  14.764  11.549  -1.781
   79   2HD   PRO  10          HD3       PRO  10  14.356  12.912  -0.692
   80    H    ASP  11           H        ASP  11  12.300  14.318  -5.588
   81    HA   ASP  11           HA       ASP  11  11.472  11.748  -6.486
   82   1HB   ASP  11          HB2       ASP  11  10.112  13.874  -6.332
   83   2HB   ASP  11          HB3       ASP  11  10.926  14.441  -7.796
   84    H    VAL  12           H        VAL  12  13.616  14.199  -7.907
   85    HA   VAL  12           HA       VAL  12  14.489  12.296 -10.002
   86    HB   VAL  12           HB       VAL  12  13.794  15.229 -10.459
   87   1HG1  VAL  12          HG11      VAL  12  14.295  14.789 -12.830
   88   2HG1  VAL  12          HG12      VAL  12  15.713  14.501 -11.828
   89   3HG1  VAL  12          HG13      VAL  12  14.773  13.120 -12.437
   90   1HG2  VAL  12          HG21      VAL  12  12.349  12.753 -11.449
   91   2HG2  VAL  12          HG22      VAL  12  11.722  14.026 -10.382
   92   3HG2  VAL  12          HG23      VAL  12  12.093  14.406 -12.061
   93    H    ASP  13           H        ASP  13  16.655  12.115  -9.785
   94    HA   ASP  13           HA       ASP  13  18.261  14.548  -9.427
   95   1HB   ASP  13          HB2       ASP  13  18.120  13.844  -7.113
   96   2HB   ASP  13          HB3       ASP  13  18.506  12.176  -7.541
   97    H    ILE  14           H        ILE  14  19.213  14.411 -11.389
   98    HA   ILE  14           HA       ILE  14  20.348  11.826 -12.275
   99    HB   ILE  14           HB       ILE  14  19.473  12.285 -14.550
  100   1HG1  ILE  14          HG12      ILE  14  17.553  14.268 -13.249
  101   2HG1  ILE  14          HG13      ILE  14  18.971  14.749 -14.170
  102   1HG2  ILE  14          HG21      ILE  14  17.290  11.308 -14.161
  103   2HG2  ILE  14          HG22      ILE  14  18.424  10.652 -12.986
  104   3HG2  ILE  14          HG23      ILE  14  17.262  11.896 -12.484
  105   1HD1  ILE  14          HD11      ILE  14  16.998  14.865 -15.577
  106   2HD1  ILE  14          HD12      ILE  14  18.087  13.606 -16.178
  107   3HD1  ILE  14          HD13      ILE  14  16.622  13.163 -15.268
  108    H    ASP  15           H        ASP  15  22.013  11.950 -13.681
  109    HA   ASP  15           HA       ASP  15  23.726  14.277 -13.337
  110   1HB   ASP  15          HB2       ASP  15  24.348  11.950 -12.843
  111   2HB   ASP  15          HB3       ASP  15  24.155  11.538 -14.558
  112    H    SER  16           H        SER  16  22.017  15.416 -14.836
  113    HA   SER  16           HA       SER  16  21.844  14.986 -17.572
  114   1HB   SER  16          HB2       SER  16  21.722  17.631 -16.070
  115   2HB   SER  16          HB3       SER  16  20.936  17.266 -17.613
  116    HG   SER  16           HG       SER  16  19.618  15.788 -16.562
  117    H    ASP  17           H        ASP  17  24.770  15.719 -16.135
  118    HA   ASP  17           HA       ASP  17  25.865  17.776 -17.794
  119   1HB   ASP  17          HB2       ASP  17  26.797  17.124 -15.614
  120   2HB   ASP  17          HB3       ASP  17  27.164  15.513 -16.238
  121    H    GLY  18           H        GLY  18  25.232  14.349 -18.430
  122   1HA   GLY  18          HA2       GLY  18  26.279  14.547 -21.122
  123   2HA   GLY  18          HA3       GLY  18  27.325  13.603 -20.056
  124    H    VAL  19           H        VAL  19  26.649  12.068 -21.867
  125    HA   VAL  19           HA       VAL  19  23.961  10.941 -21.737
  126    HB   VAL  19           HB       VAL  19  26.419  10.143 -23.367
  127   1HG1  VAL  19          HG11      VAL  19  24.802   9.015 -24.858
  128   2HG1  VAL  19          HG12      VAL  19  24.774   8.315 -23.236
  129   3HG1  VAL  19          HG13      VAL  19  23.480   9.417 -23.743
  130   1HG2  VAL  19          HG21      VAL  19  24.084  11.955 -24.080
  131   2HG2  VAL  19          HG22      VAL  19  25.793  12.424 -23.955
  132   3HG2  VAL  19          HG23      VAL  19  25.282  11.332 -25.238
  133    H    PHE  20           H        PHE  20  23.553   9.647 -19.962
  134    HA   PHE  20           HA       PHE  20  25.439   7.494 -19.274
  135   1HB   PHE  20          HB2       PHE  20  24.391   9.375 -17.130
  136   2HB   PHE  20          HB3       PHE  20  25.470   8.002 -16.915
  137    HD1  PHE  20           HD1      PHE  20  27.759   8.160 -18.386
  138    HD2  PHE  20           HD2      PHE  20  25.361  11.507 -17.109
  139    HE1  PHE  20           HE1      PHE  20  29.701   9.670 -18.688
  140    HE2  PHE  20           HE2      PHE  20  27.308  13.009 -17.384
  141    HZ   PHE  20           HZ       PHE  20  29.481  12.101 -18.211
  142    H    LYS  21           H        LYS  21  24.332   6.036 -17.540
  143    HA   LYS  21           HA       LYS  21  21.683   5.487 -18.674
  144   1HB   LYS  21          HB2       LYS  21  23.408   3.871 -16.753
  145   2HB   LYS  21          HB3       LYS  21  21.863   3.343 -17.442
  146   1HG   LYS  21          HG2       LYS  21  22.775   3.448 -19.719
  147   2HG   LYS  21          HG3       LYS  21  24.332   4.026 -19.092
  148   1HD   LYS  21          HD2       LYS  21  24.566   1.933 -17.774
  149   2HD   LYS  21          HD3       LYS  21  23.056   1.325 -18.483
  150   1HE   LYS  21          HE2       LYS  21  24.038   1.483 -20.750
  151   2HE   LYS  21          HE3       LYS  21  25.522   2.166 -20.074
  152   1HZ   LYS  21          HZ1       LYS  21  25.859   0.083 -18.873
  153   2HZ   LYS  21          HZ2       LYS  21  24.514  -0.570 -19.565
  154   3HZ   LYS  21          HZ3       LYS  21  25.798  -0.171 -20.490
  155    H    TYR  22           H        TYR  22  19.892   4.768 -17.246
  156    HA   TYR  22           HA       TYR  22  19.846   5.971 -14.577
  157   1HB   TYR  22          HB2       TYR  22  18.482   7.689 -15.019
  158   2HB   TYR  22          HB3       TYR  22  18.975   7.516 -16.680
  159    HD1  TYR  22           HD1      TYR  22  17.538   5.912 -18.161
  160    HD2  TYR  22           HD2      TYR  22  16.224   7.506 -14.386
  161    HE1  TYR  22           HE1      TYR  22  15.222   5.207 -18.675
  162    HE2  TYR  22           HE2      TYR  22  13.894   6.864 -14.913
  163    HH   TYR  22           HH       TYR  22  12.475   5.871 -16.440
  164    H    VAL  23           H        VAL  23  17.609   5.454 -13.563
  165    HA   VAL  23           HA       VAL  23  16.342   3.042 -14.611
  166    HB   VAL  23           HB       VAL  23  18.268   2.322 -13.158
  167   1HG1  VAL  23          HG11      VAL  23  16.645   3.520 -10.878
  168   2HG1  VAL  23          HG12      VAL  23  18.091   2.510 -10.720
  169   3HG1  VAL  23          HG13      VAL  23  18.193   4.120 -11.466
  170   1HG2  VAL  23          HG21      VAL  23  15.526   1.490 -12.160
  171   2HG2  VAL  23          HG22      VAL  23  16.408   0.818 -13.549
  172   3HG2  VAL  23          HG23      VAL  23  17.057   0.620 -11.919
  173    H    LEU  24           H        LEU  24  14.233   2.734 -13.670
  174    HA   LEU  24           HA       LEU  24  13.066   5.178 -12.424
  175   1HB   LEU  24          HB2       LEU  24  12.384   4.800 -14.775
  176   2HB   LEU  24          HB3       LEU  24  11.864   3.171 -14.368
  177    HG   LEU  24           HG       LEU  24  10.113   4.147 -12.834
  178   1HD1  LEU  24          HD11      LEU  24  11.134   6.339 -12.331
  179   2HD1  LEU  24          HD12      LEU  24  11.013   6.806 -14.043
  180   3HD1  LEU  24          HD13      LEU  24   9.552   6.547 -13.066
  181   1HD2  LEU  24          HD21      LEU  24  10.009   5.195 -15.693
  182   2HD2  LEU  24          HD22      LEU  24   9.654   3.527 -15.187
  183   3HD2  LEU  24          HD23      LEU  24   8.632   4.849 -14.616
  184    H    ILE  25           H        ILE  25  12.522   4.644 -10.261
  185    HA   ILE  25           HA       ILE  25  11.829   1.795  -9.784
  186    HB   ILE  25           HB       ILE  25  13.310   1.388  -8.318
  187   1HG1  ILE  25          HG12      ILE  25  13.405   4.147  -7.100
  188   2HG1  ILE  25          HG13      ILE  25  12.333   2.853  -6.567
  189   1HG2  ILE  25          HG21      ILE  25  14.726   2.385 -10.114
  190   2HG2  ILE  25          HG22      ILE  25  14.851   3.867  -9.115
  191   3HG2  ILE  25          HG23      ILE  25  15.513   2.325  -8.545
  192   1HD1  ILE  25          HD11      ILE  25  14.188   2.884  -5.082
  193   2HD1  ILE  25          HD12      ILE  25  14.314   1.421  -6.085
  194   3HD1  ILE  25          HD13      ILE  25  15.356   2.827  -6.406
  195    H    ARG  26           H        ARG  26  10.210   1.303  -8.582
  196    HA   ARG  26           HA       ARG  26   8.344   3.381  -7.672
  197   1HB   ARG  26          HB2       ARG  26   7.576   1.337  -8.847
  198   2HB   ARG  26          HB3       ARG  26   8.265   0.322  -7.582
  199   1HG   ARG  26          HG2       ARG  26   6.661   1.014  -5.977
  200   2HG   ARG  26          HG3       ARG  26   6.243   2.471  -6.880
  201   1HD   ARG  26          HD2       ARG  26   4.444   0.832  -6.989
  202   2HD   ARG  26          HD3       ARG  26   5.100   1.203  -8.588
  203    HE   ARG  26           HE       ARG  26   6.466  -1.086  -7.728
  204   1HH1  ARG  26          HH12      ARG  26   3.082  -0.205  -8.366
  205   2HH1  ARG  26          HH11      ARG  26   2.630  -1.773  -8.918
  206   1HH2  ARG  26          HH21      ARG  26   5.893  -3.159  -8.560
  207   2HH2  ARG  26          HH22      ARG  26   4.247  -3.492  -8.990
  208    H    VAL  27           H        VAL  27   7.886   3.664  -5.479
  209    HA   VAL  27           HA       VAL  27   9.627   2.418  -3.430
  210    HB   VAL  27           HB       VAL  27   8.842   5.359  -3.681
  211   1HG1  VAL  27          HG11      VAL  27   9.227   4.641  -1.347
  212   2HG1  VAL  27          HG12      VAL  27  10.838   4.031  -1.806
  213   3HG1  VAL  27          HG13      VAL  27  10.475   5.761  -1.893
  214   1HG2  VAL  27          HG21      VAL  27  11.539   4.098  -4.319
  215   2HG2  VAL  27          HG22      VAL  27  10.463   4.956  -5.445
  216   3HG2  VAL  27          HG23      VAL  27  11.244   5.841  -4.138
  217    H    HIS  28           H        HIS  28   8.439   1.980  -1.551
  218    HA   HIS  28           HA       HIS  28   5.479   2.468  -1.605
  219   1HB   HIS  28          HB2       HIS  28   7.078   0.211  -0.341
  220   2HB   HIS  28          HB3       HIS  28   5.323   0.359  -0.408
  221    HD1  HIS  28           HD1      HIS  28   4.401   0.440  -3.189
  222    HD2  HIS  28           HD2      HIS  28   8.129  -1.261  -2.215
  223    HE1  HIS  28           HE1      HIS  28   5.017  -1.102  -5.117
  224    H    SER  29           H        SER  29   4.542   3.259   0.244
  225    HA   SER  29           HA       SER  29   6.090   4.923   1.911
  226   1HB   SER  29          HB2       SER  29   3.299   3.897   2.477
  227   2HB   SER  29          HB3       SER  29   4.054   5.333   3.162
  228    HG   SER  29           HG       SER  29   3.382   4.859   0.435
  229    H    ALA  30           H        ALA  30   7.614   4.008   3.224
  230    HA   ALA  30           HA       ALA  30   6.599   2.816   5.662
  231   1HB   ALA  30          HB1       ALA  30   7.119   0.809   4.315
  232   2HB   ALA  30          HB2       ALA  30   8.781   1.378   4.092
  233   3HB   ALA  30          HB3       ALA  30   8.197   0.947   5.706
  234    HA   PRO  31           HA       PRO  31  10.724   5.537   5.675
  235   1HB   PRO  31          HB2       PRO  31   8.749   7.687   6.439
  236   2HB   PRO  31          HB3       PRO  31  10.426   7.855   5.811
  237   1HG   PRO  31          HG2       PRO  31   8.314   8.068   4.124
  238   2HG   PRO  31          HG3       PRO  31   9.784   7.174   3.639
  239   1HD   PRO  31          HD2       PRO  31   7.132   6.085   4.562
  240   2HD   PRO  31          HD3       PRO  31   8.295   5.460   3.360
  241    H    ARG  32           H        ARG  32  11.801   5.479   7.464
  242    HA   ARG  32           HA       ARG  32  12.391   4.671   9.472
  243   1HB   ARG  32          HB2       ARG  32  10.729   7.066  10.341
  244   2HB   ARG  32          HB3       ARG  32  12.012   6.287  11.257
  245   1HG   ARG  32          HG2       ARG  32  13.218   8.013  10.364
  246   2HG   ARG  32          HG3       ARG  32  13.520   6.772   9.154
  247   1HD   ARG  32          HD2       ARG  32  11.571   7.816   7.817
  248   2HD   ARG  32          HD3       ARG  32  11.576   9.122   8.973
  249    HE   ARG  32           HE       ARG  32  13.538   8.488   6.891
  250   1HH1  ARG  32          HH11      ARG  32  12.910  10.492   9.771
  251   2HH1  ARG  32          HH12      ARG  32  13.994  11.752   9.289
  252   1HH2  ARG  32          HH22      ARG  32  14.871  10.251   6.185
  253   2HH2  ARG  32          HH21      ARG  32  15.173  11.572   7.252
  254    H    SER  33           H        SER  33  10.141   3.191   8.515
  255    HA   SER  33           HA       SER  33   8.658   1.664   9.135
  256   1HB   SER  33          HB2       SER  33  10.222   1.574  11.739
  257   2HB   SER  33          HB3       SER  33   9.273   0.267  11.011
  258    HG   SER  33           HG       SER  33  11.518   0.064  10.586
  259    H    GLY  34           H        GLY  34   7.866   4.460   9.736
  260   1HA   GLY  34          HA2       GLY  34   5.706   3.864  11.710
  261   2HA   GLY  34          HA3       GLY  34   6.792   5.234  11.972
  262    H    ALA  35           H        ALA  35   6.437   5.072   8.641
  263    HA   ALA  35           HA       ALA  35   4.842   7.360   8.429
  264   1HB   ALA  35          HB1       ALA  35   4.747   6.802   6.018
  265   2HB   ALA  35          HB2       ALA  35   6.373   6.609   6.701
  266   3HB   ALA  35          HB3       ALA  35   5.363   5.171   6.374
  267    HA   PRO  36           HA       PRO  36   0.853   5.826   9.245
  268   1HB   PRO  36          HB2       PRO  36  -0.778   7.828   8.374
  269   2HB   PRO  36          HB3       PRO  36   0.468   8.090   9.629
  270   1HG   PRO  36          HG2       PRO  36   0.718   8.608   6.640
  271   2HG   PRO  36          HG3       PRO  36   1.042   9.753   7.986
  272   1HD   PRO  36          HD2       PRO  36   3.038   8.300   6.843
  273   2HD   PRO  36          HD3       PRO  36   3.011   8.616   8.605
  274    H    ALA  37           H        ALA  37   1.801   5.398   6.061
  275    HA   ALA  37           HA       ALA  37  -0.814   4.281   5.236
  276   1HB   ALA  37          HB1       ALA  37   0.712   6.410   3.667
  277   2HB   ALA  37          HB2       ALA  37  -0.809   5.623   3.178
  278   3HB   ALA  37          HB3       ALA  37  -0.780   6.692   4.590
  279    H    ALA  38           H        ALA  38  -0.488   3.431   2.863
  280    HA   ALA  38           HA       ALA  38   2.178   2.244   2.381
  281   1HB   ALA  38          HB1       ALA  38   1.232   0.060   1.985
  282   2HB   ALA  38          HB2       ALA  38   0.886   0.560   3.650
  283   3HB   ALA  38          HB3       ALA  38  -0.397   0.638   2.414
  284    H    GLU  39           H        GLU  39   1.009   4.525   1.204
  285    HA   GLU  39           HA       GLU  39   0.030   3.759  -1.431
  286   1HB   GLU  39          HB2       GLU  39   1.109   6.396  -0.317
  287   2HB   GLU  39          HB3       GLU  39   0.467   6.187  -1.952
  288   1HG   GLU  39          HG2       GLU  39  -1.719   5.459  -0.983
  289   2HG   GLU  39          HG3       GLU  39  -1.096   5.787   0.635
  290    H    SER  40           H        SER  40   1.443   4.626  -3.388
  291    HA   SER  40           HA       SER  40   4.317   4.134  -2.949
  292   1HB   SER  40          HB2       SER  40   2.782   2.774  -5.184
  293   2HB   SER  40          HB3       SER  40   4.466   2.524  -4.718
  294    HG   SER  40           HG       SER  40   2.143   1.833  -3.223
  295    H    LYS  41           H        LYS  41   5.622   4.821  -4.794
  296    HA   LYS  41           HA       LYS  41   4.477   6.571  -6.826
  297   1HB   LYS  41          HB2       LYS  41   5.720   8.580  -6.109
  298   2HB   LYS  41          HB3       LYS  41   4.489   8.109  -4.968
  299   1HG   LYS  41          HG2       LYS  41   6.154   8.660  -3.548
  300   2HG   LYS  41          HG3       LYS  41   6.374   6.926  -3.633
  301   1HD   LYS  41          HD2       LYS  41   8.515   7.702  -3.619
  302   2HD   LYS  41          HD3       LYS  41   8.286   7.487  -5.344
  303   1HE   LYS  41          HE2       LYS  41   7.964  10.127  -3.804
  304   2HE   LYS  41          HE3       LYS  41   9.442   9.620  -4.618
  305   1HZ   LYS  41          HZ1       LYS  41   6.860  10.224  -5.933
  306   2HZ   LYS  41          HZ2       LYS  41   8.256  11.046  -6.113
  307   3HZ   LYS  41          HZ3       LYS  41   8.163   9.559  -6.716
  308    H    GLU  42           H        GLU  42   6.315   7.430  -8.260
  309    HA   GLU  42           HA       GLU  42   8.566   5.468  -8.276
  310   1HB   GLU  42          HB2       GLU  42   7.269   7.043 -10.539
  311   2HB   GLU  42          HB3       GLU  42   8.762   6.122 -10.687
  312   1HG   GLU  42          HG2       GLU  42   7.051   4.754 -11.557
  313   2HG   GLU  42          HG3       GLU  42   7.571   4.046 -10.030
  314    H    ILE  43           H        ILE  43  10.683   6.272  -8.836
  315    HA   ILE  43           HA       ILE  43  11.103   9.200  -8.809
  316    HB   ILE  43           HB       ILE  43  13.072   8.934  -7.358
  317   1HG1  ILE  43          HG12      ILE  43  12.094   6.105  -6.800
  318   2HG1  ILE  43          HG13      ILE  43  13.484   6.491  -7.812
  319   1HG2  ILE  43          HG21      ILE  43  10.608   7.874  -5.938
  320   2HG2  ILE  43          HG22      ILE  43  11.901   8.896  -5.269
  321   3HG2  ILE  43          HG23      ILE  43  10.797   9.562  -6.478
  322   1HD1  ILE  43          HD11      ILE  43  14.184   5.813  -5.597
  323   2HD1  ILE  43          HD12      ILE  43  14.651   7.497  -5.912
  324   3HD1  ILE  43          HD13      ILE  43  13.268   7.128  -4.850
  325    H    VAL  44           H        VAL  44  13.198   9.786  -9.699
  326    HA   VAL  44           HA       VAL  44  14.052   7.914 -11.871
  327    HB   VAL  44           HB       VAL  44  13.755  10.952 -11.911
  328   1HG1  VAL  44          HG11      VAL  44  15.379   9.994 -13.563
  329   2HG1  VAL  44          HG12      VAL  44  14.052   9.036 -14.249
  330   3HG1  VAL  44          HG13      VAL  44  13.997  10.804 -14.309
  331   1HG2  VAL  44          HG21      VAL  44  11.772  10.664 -13.332
  332   2HG2  VAL  44          HG22      VAL  44  11.821   8.906 -13.066
  333   3HG2  VAL  44          HG23      VAL  44  11.492  10.024 -11.720
  334    H    ARG  45           H        ARG  45  16.236   7.398 -11.656
  335    HA   ARG  45           HA       ARG  45  18.089   9.490 -10.640
  336   1HB   ARG  45          HB2       ARG  45  18.008   6.621  -9.633
  337   2HB   ARG  45          HB3       ARG  45  19.242   7.800  -9.219
  338   1HG   ARG  45          HG2       ARG  45  16.307   7.929  -8.406
  339   2HG   ARG  45          HG3       ARG  45  17.658   7.422  -7.397
  340   1HD   ARG  45          HD2       ARG  45  18.619   9.634  -7.385
  341   2HD   ARG  45          HD3       ARG  45  17.413  10.220  -8.520
  342    HE   ARG  45           HE       ARG  45  15.830  10.343  -6.865
  343   1HH1  ARG  45          HH21      ARG  45  18.715   8.761  -5.468
  344   2HH1  ARG  45          HH22      ARG  45  18.049   8.721  -3.852
  345   1HH2  ARG  45          HH11      ARG  45  15.056  10.368  -4.707
  346   2HH2  ARG  45          HH12      ARG  45  16.029   9.673  -3.433
  347    H    GLY  46           H        GLY  46  20.238   9.258 -11.534
  348   1HA   GLY  46          HA2       GLY  46  21.145   6.957 -12.908
  349   2HA   GLY  46          HA3       GLY  46  20.441   8.073 -14.091
  350    H    TYR  47           H        TYR  47  23.340   7.199 -13.388
  351    HA   TYR  47           HA       TYR  47  24.555   9.866 -13.336
  352   1HB   TYR  47          HB2       TYR  47  25.325   7.837 -11.236
  353   2HB   TYR  47          HB3       TYR  47  25.859   9.502 -11.365
  354    HD1  TYR  47           HD1      TYR  47  23.144   7.245 -10.384
  355    HD2  TYR  47           HD2      TYR  47  24.471  11.338 -10.453
  356    HE1  TYR  47           HE1      TYR  47  21.431   7.818  -8.674
  357    HE2  TYR  47           HE2      TYR  47  22.752  11.936  -8.773
  358    HH   TYR  47           HH       TYR  47  21.059  11.162  -7.398
  359    H    LYS  48           H        LYS  48  26.785   9.874 -13.904
  360    HA   LYS  48           HA       LYS  48  27.673   7.983 -15.716
  361   1HB   LYS  48          HB2       LYS  48  29.824   9.033 -15.591
  362   2HB   LYS  48          HB3       LYS  48  28.574  10.261 -15.440
  363   1HG   LYS  48          HG2       LYS  48  28.967  10.257 -12.921
  364   2HG   LYS  48          HG3       LYS  48  30.270   9.100 -13.195
  365   1HD   LYS  48          HD2       LYS  48  31.538  10.944 -13.156
  366   2HD   LYS  48          HD3       LYS  48  31.178  10.972 -14.872
  367   1HE   LYS  48          HE2       LYS  48  29.744  12.558 -12.679
  368   2HE   LYS  48          HE3       LYS  48  31.003  13.193 -13.740
  369   1HZ   LYS  48          HZ1       LYS  48  29.488  12.782 -15.621
  370   2HZ   LYS  48          HZ2       LYS  48  28.302  12.301 -14.562
  371   3HZ   LYS  48          HZ3       LYS  48  28.844  13.822 -14.527
  372    H    TRP  49           H        TRP  49  28.124   7.824 -12.166
  373    HA   TRP  49           HA       TRP  49  30.113   5.767 -12.354
  374   1HB   TRP  49          HB2       TRP  49  29.593   5.474  -9.881
  375   2HB   TRP  49          HB3       TRP  49  30.266   6.986 -10.436
  376    HD1  TRP  49           HD1      TRP  49  29.153   9.114  -9.667
  377    HE1  TRP  49           HE1      TRP  49  27.051   9.748  -8.374
  378    HE3  TRP  49           HE3      TRP  49  26.826   4.550  -9.623
  379    HZ2  TRP  49           HZ2      TRP  49  24.639   8.438  -7.429
  380    HZ3  TRP  49           HZ3      TRP  49  24.592   4.301  -8.628
  381    HH2  TRP  49           HH2      TRP  49  23.459   6.240  -7.543
  382    H    ALA  50           H        ALA  50  26.577   5.608 -12.501
  383    HA   ALA  50           HA       ALA  50  26.630   2.710 -11.997
  384   1HB   ALA  50          HB1       ALA  50  24.340   4.570 -12.676
  385   2HB   ALA  50          HB2       ALA  50  24.243   2.803 -12.421
  386   3HB   ALA  50          HB3       ALA  50  24.756   3.845 -11.091
  387    H    GLU  51           H        GLU  51  28.182   2.333 -13.710
  388    HA   GLU  51           HA       GLU  51  27.569   2.731 -16.475
  389   1HB   GLU  51          HB2       GLU  51  29.294   0.615 -15.102
  390   2HB   GLU  51          HB3       GLU  51  29.279   0.946 -16.841
  391   1HG   GLU  51          HG2       GLU  51  29.982   3.303 -16.362
  392   2HG   GLU  51          HG3       GLU  51  30.118   2.884 -14.650
  393    H    TYR  52           H        TYR  52  25.956   0.766 -14.212
  394    HA   TYR  52           HA       TYR  52  24.514  -0.648 -16.320
  395   1HB   TYR  52          HB2       TYR  52  24.527  -2.681 -14.645
  396   2HB   TYR  52          HB3       TYR  52  25.730  -2.496 -15.904
  397    HD1  TYR  52           HD1      TYR  52  27.991  -1.559 -15.367
  398    HD2  TYR  52           HD2      TYR  52  25.215  -2.785 -12.322
  399    HE1  TYR  52           HE1      TYR  52  29.871  -1.739 -13.747
  400    HE2  TYR  52           HE2      TYR  52  27.069  -2.975 -10.686
  401    HH   TYR  52           HH       TYR  52  30.485  -2.254 -11.555
  402    H    HIS  53           H        HIS  53  22.344  -0.864 -15.758
  403    HA   HIS  53           HA       HIS  53  21.289   1.031 -13.990
  404   1HB   HIS  53          HB2       HIS  53  19.755  -1.419 -14.906
  405   2HB   HIS  53          HB3       HIS  53  19.137   0.196 -14.581
  406    HD1  HIS  53           HD1      HIS  53  19.496   2.026 -16.623
  407    HD2  HIS  53           HD2      HIS  53  20.829  -1.927 -17.277
  408    HE1  HIS  53           HE1      HIS  53  20.038   1.820 -19.115
  409    H    ALA  54           H        ALA  54  22.041  -2.395 -13.421
  410    HA   ALA  54           HA       ALA  54  20.597  -2.774 -11.024
  411   1HB   ALA  54          HB1       ALA  54  22.205  -4.575 -10.575
  412   2HB   ALA  54          HB2       ALA  54  21.693  -4.601 -12.271
  413   3HB   ALA  54          HB3       ALA  54  23.292  -3.956 -11.831
  414    H    ASP  55           H        ASP  55  23.619  -0.950 -11.607
  415    HA   ASP  55           HA       ASP  55  24.509  -0.994  -8.875
  416   1HB   ASP  55          HB2       ASP  55  25.886  -0.333 -10.963
  417   2HB   ASP  55          HB3       ASP  55  25.069   1.205 -10.895
  418    H    ILE  56           H        ILE  56  22.610   1.385 -10.803
  419    HA   ILE  56           HA       ILE  56  22.156   3.106  -8.526
  420    HB   ILE  56           HB       ILE  56  20.095   3.772 -10.136
  421   1HG1  ILE  56          HG12      ILE  56  22.075   2.533 -12.058
  422   2HG1  ILE  56          HG13      ILE  56  20.323   2.357 -11.952
  423   1HG2  ILE  56          HG21      ILE  56  22.889   4.840 -10.413
  424   2HG2  ILE  56          HG22      ILE  56  21.357   5.686 -10.746
  425   3HG2  ILE  56          HG23      ILE  56  21.740   5.203  -9.105
  426   1HD1  ILE  56          HD11      ILE  56  20.135   4.752 -12.688
  427   2HD1  ILE  56          HD12      ILE  56  21.904   4.772 -12.913
  428   3HD1  ILE  56          HD13      ILE  56  20.904   3.675 -13.879
  429    H    TYR  57           H        TYR  57  20.294   0.347  -9.993
  430    HA   TYR  57           HA       TYR  57  18.012   0.805  -8.382
  431   1HB   TYR  57          HB2       TYR  57  17.936  -0.825 -10.175
  432   2HB   TYR  57          HB3       TYR  57  19.188  -1.798  -9.407
  433    HD1  TYR  57           HD1      TYR  57  16.041  -0.192  -8.006
  434    HD2  TYR  57           HD2      TYR  57  18.257  -3.834  -8.718
  435    HE1  TYR  57           HE1      TYR  57  14.369  -1.452  -6.725
  436    HE2  TYR  57           HE2      TYR  57  16.548  -5.117  -7.478
  437    HH   TYR  57           HH       TYR  57  14.542  -5.021  -6.290
  438    H    ASP  58           H        ASP  58  21.002  -1.118  -7.634
  439    HA   ASP  58           HA       ASP  58  20.173  -1.857  -5.021
  440   1HB   ASP  58          HB2       ASP  58  22.003  -2.984  -6.162
  441   2HB   ASP  58          HB3       ASP  58  22.956  -1.497  -6.189
  442    H    LYS  59           H        LYS  59  22.270   0.894  -6.103
  443    HA   LYS  59           HA       LYS  59  22.750   1.920  -3.504
  444   1HB   LYS  59          HB2       LYS  59  24.122   2.535  -5.346
  445   2HB   LYS  59          HB3       LYS  59  22.770   3.225  -6.249
  446   1HG   LYS  59          HG2       LYS  59  22.749   5.187  -5.081
  447   2HG   LYS  59          HG3       LYS  59  23.258   4.441  -3.553
  448   1HD   LYS  59          HD2       LYS  59  25.540   4.257  -4.245
  449   2HD   LYS  59          HD3       LYS  59  25.155   4.759  -5.896
  450   1HE   LYS  59          HE2       LYS  59  24.393   6.983  -5.010
  451   2HE   LYS  59          HE3       LYS  59  24.872   6.475  -3.385
  452   1HZ   LYS  59          HZ1       LYS  59  26.702   6.757  -5.701
  453   2HZ   LYS  59          HZ2       LYS  59  26.593   7.793  -4.445
  454   3HZ   LYS  59          HZ3       LYS  59  27.155   6.284  -4.199
  455    H    VAL  60           H        VAL  60  20.160   2.794  -5.861
  456    HA   VAL  60           HA       VAL  60  19.111   4.832  -4.125
  457    HB   VAL  60           HB       VAL  60  17.918   3.523  -6.583
  458   1HG1  VAL  60          HG11      VAL  60  16.446   5.497  -6.642
  459   2HG1  VAL  60          HG12      VAL  60  16.212   4.639  -5.111
  460   3HG1  VAL  60          HG13      VAL  60  17.173   6.112  -5.130
  461   1HG2  VAL  60          HG21      VAL  60  20.131   4.776  -6.920
  462   2HG2  VAL  60          HG22      VAL  60  18.758   5.444  -7.776
  463   3HG2  VAL  60          HG23      VAL  60  19.345   6.212  -6.272
  464    H    SER  61           H        SER  61  18.286   1.322  -4.652
  465    HA   SER  61           HA       SER  61  16.073   1.396  -2.831
  466   1HB   SER  61          HB2       SER  61  17.987  -0.898  -3.414
  467   2HB   SER  61          HB3       SER  61  16.406  -1.013  -2.609
  468    HG   SER  61           HG       SER  61  17.040  -0.364  -5.268
  469    H    GLY  62           H        GLY  62  19.616   1.329  -2.293
  470   1HA   GLY  62          HA2       GLY  62  19.526   0.867   0.535
  471   2HA   GLY  62          HA3       GLY  62  20.821   1.656  -0.388
  472    H    ASP  63           H        ASP  63  19.691   3.911  -1.416
  473    HA   ASP  63           HA       ASP  63  19.545   5.776   0.687
  474   1HB   ASP  63          HB2       ASP  63  20.117   6.384  -1.568
  475   2HB   ASP  63          HB3       ASP  63  18.533   5.901  -2.169
  476    H    MET  64           H        MET  64  16.859   4.283  -1.197
  477    HA   MET  64           HA       MET  64  14.786   5.527   0.334
  478   1HB   MET  64          HB2       MET  64  14.816   2.969  -1.310
  479   2HB   MET  64          HB3       MET  64  13.371   3.768  -0.716
  480   1HG   MET  64          HG2       MET  64  15.285   5.035  -2.692
  481   2HG   MET  64          HG3       MET  64  13.706   4.354  -3.038
  482   1HE   MET  64          HE1       MET  64  14.707   8.489  -1.396
  483   2HE   MET  64          HE2       MET  64  15.642   7.065  -0.969
  484   3HE   MET  64          HE3       MET  64  15.528   7.553  -2.671
  485    H    GLN  65           H        GLN  65  16.374   2.271   0.805
  486    HA   GLN  65           HA       GLN  65  14.628   1.627   2.975
  487   1HB   GLN  65          HB2       GLN  65  17.282   0.640   1.939
  488   2HB   GLN  65          HB3       GLN  65  16.688   0.029   3.491
  489   1HG   GLN  65          HG2       GLN  65  14.671  -0.842   2.487
  490   2HG   GLN  65          HG3       GLN  65  15.050  -0.097   0.928
  491   1HE2  GLN  65          HE22      GLN  65  17.221  -0.767  -0.021
  492   2HE2  GLN  65          HE21      GLN  65  17.665  -2.471   0.094
  493    H    LYS  66           H        LYS  66  17.694   3.461   2.835
  494    HA   LYS  66           HA       LYS  66  18.116   3.739   5.649
  495   1HB   LYS  66          HB2       LYS  66  19.829   4.348   4.094
  496   2HB   LYS  66          HB3       LYS  66  18.740   5.357   3.180
  497   1HG   LYS  66          HG2       LYS  66  18.659   6.912   5.276
  498   2HG   LYS  66          HG3       LYS  66  20.029   5.954   5.854
  499   1HD   LYS  66          HD2       LYS  66  20.887   7.910   4.730
  500   2HD   LYS  66          HD3       LYS  66  21.213   6.514   3.682
  501   1HE   LYS  66          HE2       LYS  66  19.191   7.075   2.322
  502   2HE   LYS  66          HE3       LYS  66  18.841   8.433   3.386
  503   1HZ   LYS  66          HZ1       LYS  66  19.972   8.905   1.254
  504   2HZ   LYS  66          HZ2       LYS  66  20.740   9.560   2.566
  505   3HZ   LYS  66          HZ3       LYS  66  21.345   8.226   1.825
  506    H    GLN  67           H        GLN  67  16.083   5.619   3.296
  507    HA   GLN  67           HA       GLN  67  14.973   7.354   5.290
  508   1HB   GLN  67          HB2       GLN  67  13.758   6.407   2.657
  509   2HB   GLN  67          HB3       GLN  67  13.112   7.694   3.659
  510   1HG   GLN  67          HG2       GLN  67  15.985   7.896   2.651
  511   2HG   GLN  67          HG3       GLN  67  14.643   8.225   1.580
  512   1HE2  GLN  67          HE22      GLN  67  14.127  10.362   1.483
  513   2HE2  GLN  67          HE21      GLN  67  14.231  11.494   2.812
  514    H    GLY  68           H        GLY  68  14.111   4.124   4.170
  515   1HA   GLY  68          HA2       GLY  68  13.467   2.668   6.138
  516   2HA   GLY  68          HA3       GLY  68  12.116   3.776   6.367
  517    H    CYS  69           H        CYS  69  12.568   3.652   3.088
  518    HA   CYS  69           HA       CYS  69   9.981   2.461   2.685
  519   1HB   CYS  69          HB2       CYS  69  12.151   3.507   0.859
  520   2HB   CYS  69          HB3       CYS  69  10.528   3.113   0.308
  521    HG   CYS  69           HG       CYS  69  10.807   5.711   0.491
  522    H    ASP  70           H        ASP  70   9.778   1.096   0.597
  523    HA   ASP  70           HA       ASP  70  11.839  -1.005   0.262
  524   1HB   ASP  70          HB2       ASP  70  10.051  -2.057   1.580
  525   2HB   ASP  70          HB3       ASP  70   8.828  -1.429   0.466
  526    H    CYS  71           H        CYS  71  11.817  -1.741  -2.063
  527    HA   CYS  71           HA       CYS  71  10.428   0.123  -3.886
  528   1HB   CYS  71          HB2       CYS  71  13.478  -0.120  -3.792
  529   2HB   CYS  71          HB3       CYS  71  12.512   0.904  -4.864
  530    HG   CYS  71           HG       CYS  71  11.267   1.760  -2.397
  531    H    GLU  72           H        GLU  72  10.976  -0.264  -6.218
  532    HA   GLU  72           HA       GLU  72  12.128  -2.861  -6.958
  533   1HB   GLU  72          HB2       GLU  72   9.846  -3.498  -6.438
  534   2HB   GLU  72          HB3       GLU  72   9.194  -2.081  -7.274
  535   1HG   GLU  72          HG2       GLU  72   9.922  -2.949  -9.428
  536   2HG   GLU  72          HG3       GLU  72  10.740  -4.311  -8.642
  537    H    CYS  73           H        CYS  73  13.320  -2.394  -8.858
  538    HA   CYS  73           HA       CYS  73  12.933   0.091 -10.320
  539   1HB   CYS  73          HB2       CYS  73  14.486  -1.053 -11.982
  540   2HB   CYS  73          HB3       CYS  73  15.155  -0.743 -10.382
  541    HG   CYS  73           HG       CYS  73  13.674  -3.518 -11.387
  542    H    LEU  74           H        LEU  74  11.302   0.434 -11.729
  543    HA   LEU  74           HA       LEU  74   9.576  -1.756 -12.634
  544   1HB   LEU  74          HB2       LEU  74   9.664   1.204 -13.372
  545   2HB   LEU  74          HB3       LEU  74   8.429   0.056 -13.875
  546    HG   LEU  74           HG       LEU  74   8.979   0.994 -11.029
  547   1HD1  LEU  74          HD11      LEU  74   6.547   1.327 -12.829
  548   2HD1  LEU  74          HD12      LEU  74   6.751   1.985 -11.195
  549   3HD1  LEU  74          HD13      LEU  74   7.781   2.582 -12.508
  550   1HD2  LEU  74          HD21      LEU  74   6.902  -0.324 -10.438
  551   2HD2  LEU  74          HD22      LEU  74   6.999  -1.103 -12.028
  552   3HD2  LEU  74          HD23      LEU  74   8.298  -1.326 -10.831
  553    H    GLY  75           H        GLY  75  12.346   0.082 -13.821
  554   1HA   GLY  75          HA2       GLY  75  13.268  -1.788 -15.617
  555   2HA   GLY  75          HA3       GLY  75  12.227  -0.714 -16.570
  556    H    GLY  76           H        GLY  76  14.579  -0.322 -17.505
  557   1HA   GLY  76          HA2       GLY  76  15.390   2.279 -16.402
  558   2HA   GLY  76          HA3       GLY  76  16.646   1.031 -16.489
  559    H    GLY  77           H        GLY  77  17.470   2.893 -17.869
  560   1HA   GLY  77          HA2       GLY  77  17.481   2.286 -20.624
  561   2HA   GLY  77          HA3       GLY  77  16.361   3.633 -20.341
  562    H    ARG  78           H        ARG  78  17.869   5.010 -21.514
  563    HA   ARG  78           HA       ARG  78  20.220   5.865 -19.932
  564   1HB   ARG  78          HB2       ARG  78  20.737   4.389 -21.978
  565   2HB   ARG  78          HB3       ARG  78  20.101   5.713 -22.966
  566   1HG   ARG  78          HG2       ARG  78  21.919   7.190 -21.819
  567   2HG   ARG  78          HG3       ARG  78  22.548   5.684 -21.147
  568   1HD   ARG  78          HD2       ARG  78  23.823   6.091 -23.093
  569   2HD   ARG  78          HD3       ARG  78  22.673   4.827 -23.565
  570    HE   ARG  78           HE       ARG  78  21.655   7.495 -24.101
  571   1HH1  ARG  78          HH21      ARG  78  23.916   5.091 -25.431
  572   2HH1  ARG  78          HH22      ARG  78  23.830   5.716 -27.036
  573   1HH2  ARG  78          HH11      ARG  78  21.511   8.278 -26.146
  574   2HH2  ARG  78          HH12      ARG  78  22.399   7.588 -27.477
  575    H    ILE  79           H        ILE  79  20.780   8.046 -20.208
  576    HA   ILE  79           HA       ILE  79  18.588   9.851 -21.095
  577    HB   ILE  79           HB       ILE  79  20.680   9.963 -18.879
  578   1HG1  ILE  79          HG12      ILE  79  17.644  10.357 -18.849
  579   2HG1  ILE  79          HG13      ILE  79  18.453   8.846 -18.461
  580   1HG2  ILE  79          HG21      ILE  79  20.661  12.185 -20.072
  581   2HG2  ILE  79          HG22      ILE  79  18.902  12.258 -19.844
  582   3HG2  ILE  79          HG23      ILE  79  20.004  12.317 -18.450
  583   1HD1  ILE  79          HD11      ILE  79  19.628   9.987 -16.558
  584   2HD1  ILE  79          HD12      ILE  79  18.654  11.441 -16.888
  585   3HD1  ILE  79          HD13      ILE  79  17.858   9.942 -16.404
  586    H    SER  80           H        SER  80  19.157  11.148 -22.768
  587    HA   SER  80           HA       SER  80  21.956  11.063 -23.796
  588   1HB   SER  80          HB2       SER  80  19.405  10.737 -25.418
  589   2HB   SER  80          HB3       SER  80  21.071  10.578 -25.991
  590    HG   SER  80           HG       SER  80  19.603   8.897 -24.250
  591    H    HIS  81           H        HIS  81  22.453  12.859 -25.253
  592    HA   HIS  81           HA       HIS  81  20.805  15.273 -25.100
  593   1HB   HIS  81          HB2       HIS  81  21.693  15.134 -22.789
  594   2HB   HIS  81          HB3       HIS  81  23.327  14.966 -23.399
  595    HD1  HIS  81           HD1      HIS  81  20.729  17.731 -24.433
  596    HD2  HIS  81           HD2      HIS  81  24.409  17.134 -22.453
  597    HE1  HIS  81           HE1      HIS  81  21.648  20.031 -23.909
  598    H    GLN  82           H        GLN  82  24.165  13.996 -25.478
  599    HA   GLN  82           HA       GLN  82  25.899  14.590 -26.742
  600   1HB   GLN  82          HB2       GLN  82  23.718  14.595 -28.853
  601   2HB   GLN  82          HB3       GLN  82  25.452  14.508 -29.175
  602   1HG   GLN  82          HG2       GLN  82  24.876  12.301 -29.341
  603   2HG   GLN  82          HG3       GLN  82  25.442  12.380 -27.680
  604   1HE2  GLN  82          HE22      GLN  82  22.519  12.233 -29.765
  605   2HE2  GLN  82          HE21      GLN  82  21.465  11.603 -28.526
  606    H    SER  83           H        SER  83  24.506  16.934 -25.488
  607    HA   SER  83           HA       SER  83  24.300  19.159 -25.549
  608   1HB   SER  83          HB2       SER  83  26.898  19.061 -27.112
  609   2HB   SER  83          HB3       SER  83  26.308  20.384 -26.092
  610    HG   SER  83           HG       SER  83  27.836  19.050 -25.015
  611    H    GLN  84           H        GLN  84  22.915  17.772 -27.769
  612    HA   GLN  84           HA       GLN  84  23.435  19.109 -30.215
  613   1HB   GLN  84          HB2       GLN  84  21.541  17.930 -31.071
  614   2HB   GLN  84          HB3       GLN  84  22.392  16.871 -29.951
  615   1HG   GLN  84          HG2       GLN  84  20.620  17.617 -28.185
  616   2HG   GLN  84          HG3       GLN  84  19.733  18.300 -29.546
  617   1HE2  GLN  84          HE22      GLN  84  21.056  15.305 -28.170
  618   2HE2  GLN  84          HE21      GLN  84  19.998  14.198 -29.038
  619    H    ASP  85           H        ASP  85  21.265  19.922 -27.542
  620    HA   ASP  85           HA       ASP  85  20.593  22.554 -28.469
  621   1HB   ASP  85          HB2       ASP  85  19.117  21.122 -29.957
  622   2HB   ASP  85          HB3       ASP  85  18.436  20.383 -28.511
  623    H    LYS  86           H        LYS  86  18.745  23.321 -26.826
  624    HA   LYS  86           HA       LYS  86  19.377  22.435 -24.103
  625   1HB   LYS  86          HB2       LYS  86  17.767  24.159 -23.406
  626   2HB   LYS  86          HB3       LYS  86  19.072  24.761 -24.417
  627   1HG   LYS  86          HG2       LYS  86  17.458  24.705 -26.393
  628   2HG   LYS  86          HG3       LYS  86  16.160  24.383 -25.245
  629   1HD   LYS  86          HD2       LYS  86  18.004  26.812 -25.222
  630   2HD   LYS  86          HD3       LYS  86  16.371  26.767 -25.898
  631   1HE   LYS  86          HE2       LYS  86  15.435  26.236 -23.679
  632   2HE   LYS  86          HE3       LYS  86  17.058  26.257 -22.970
  633   1HZ   LYS  86          HZ1       LYS  86  15.911  28.353 -22.624
  634   2HZ   LYS  86          HZ2       LYS  86  17.212  28.605 -23.571
  635   3HZ   LYS  86          HZ3       LYS  86  15.713  28.584 -24.225
  636    H    LYS  87           H        LYS  87  18.804  20.187 -24.970
  637    HA   LYS  87           HA       LYS  87  16.079  19.423 -24.183
  638   1HB   LYS  87          HB2       LYS  87  15.951  19.982 -26.602
  639   2HB   LYS  87          HB3       LYS  87  17.307  18.894 -26.932
  640   1HG   LYS  87          HG2       LYS  87  15.950  16.952 -26.255
  641   2HG   LYS  87          HG3       LYS  87  14.600  18.024 -25.818
  642   1HD   LYS  87          HD2       LYS  87  14.425  18.792 -28.151
  643   2HD   LYS  87          HD3       LYS  87  15.841  17.817 -28.603
  644   1HE   LYS  87          HE2       LYS  87  14.605  15.749 -27.936
  645   2HE   LYS  87          HE3       LYS  87  13.192  16.732 -27.549
  646   1HZ   LYS  87          HZ1       LYS  87  13.035  15.772 -29.756
  647   2HZ   LYS  87          HZ2       LYS  87  13.093  17.396 -29.885
  648   3HZ   LYS  87          HZ3       LYS  87  14.411  16.494 -30.242
  649    H    ILE  88           H        ILE  88  16.059  17.272 -23.471
  650    HA   ILE  88           HA       ILE  88  18.465  15.578 -23.766
  651    HB   ILE  88           HB       ILE  88  17.153  16.359 -21.137
  652   1HG1  ILE  88          HG12      ILE  88  19.981  16.531 -22.190
  653   2HG1  ILE  88          HG13      ILE  88  18.893  17.866 -21.829
  654   1HG2  ILE  88          HG21      ILE  88  18.395  14.664 -19.978
  655   2HG2  ILE  88          HG22      ILE  88  17.383  13.887 -21.170
  656   3HG2  ILE  88          HG23      ILE  88  19.126  14.093 -21.492
  657   1HD1  ILE  88          HD11      ILE  88  20.477  17.774 -20.070
  658   2HD1  ILE  88          HD12      ILE  88  18.947  17.163 -19.400
  659   3HD1  ILE  88          HD13      ILE  88  20.257  16.035 -19.836
  660    H    HIS  89           H        HIS  89  17.832  13.291 -23.597
  661    HA   HIS  89           HA       HIS  89  14.945  12.824 -24.155
  662   1HB   HIS  89          HB2       HIS  89  16.318  13.163 -26.243
  663   2HB   HIS  89          HB3       HIS  89  17.284  11.761 -25.780
  664    HD1  HIS  89           HD1      HIS  89  13.769  12.695 -27.016
  665    HD2  HIS  89           HD2      HIS  89  16.183   9.334 -26.216
  666    HE1  HIS  89           HE1      HIS  89  12.590  10.681 -28.068
  667    H    VAL  90           H        VAL  90  14.219  10.722 -23.543
  668    HA   VAL  90           HA       VAL  90  16.164   9.084 -21.986
  669    HB   VAL  90           HB       VAL  90  13.316   9.665 -21.115
  670   1HG1  VAL  90          HG11      VAL  90  14.131   8.849 -18.948
  671   2HG1  VAL  90          HG12      VAL  90  14.544   7.667 -20.200
  672   3HG1  VAL  90          HG13      VAL  90  15.793   8.745 -19.573
  673   1HG2  VAL  90          HG21      VAL  90  15.811  11.213 -20.288
  674   2HG2  VAL  90          HG22      VAL  90  14.346  11.864 -21.061
  675   3HG2  VAL  90          HG23      VAL  90  14.262  11.244 -19.415
  676    H    TYR  91           H        TYR  91  16.212   7.041 -22.812
  677    HA   TYR  91           HA       TYR  91  13.820   5.641 -23.632
  678   1HB   TYR  91          HB2       TYR  91  14.131   5.490 -25.901
  679   2HB   TYR  91          HB3       TYR  91  14.425   7.180 -25.628
  680    HD1  TYR  91           HD1      TYR  91  17.343   7.187 -24.759
  681    HD2  TYR  91           HD2      TYR  91  15.298   4.929 -27.819
  682    HE1  TYR  91           HE1      TYR  91  19.463   6.918 -25.976
  683    HE2  TYR  91           HE2      TYR  91  17.419   4.685 -29.061
  684    HH   TYR  91           HH       TYR  91  19.708   5.155 -29.096
  685    H    GLY  92           H        GLY  92  14.693   3.340 -24.615
  686   1HA   GLY  92          HA2       GLY  92  16.917   2.172 -24.759
  687   2HA   GLY  92          HA3       GLY  92  17.192   2.658 -23.097
  688    H    TYR  93           H        TYR  93  17.538   0.396 -22.774
  689    HA   TYR  93           HA       TYR  93  15.199  -1.102 -21.890
  690   1HB   TYR  93          HB2       TYR  93  15.349  -1.757 -24.240
  691   2HB   TYR  93          HB3       TYR  93  17.089  -1.951 -24.127
  692    HD1  TYR  93           HD1      TYR  93  18.087  -4.005 -23.387
  693    HD2  TYR  93           HD2      TYR  93  13.823  -3.422 -23.179
  694    HE1  TYR  93           HE1      TYR  93  17.783  -6.432 -23.080
  695    HE2  TYR  93           HE2      TYR  93  13.505  -5.854 -22.782
  696    HH   TYR  93           HH       TYR  93  16.250  -8.174 -22.749
  697    H    SER  94           H        SER  94  15.913  -2.786 -20.409
  698    HA   SER  94           HA       SER  94  18.782  -2.821 -19.626
  699   1HB   SER  94          HB2       SER  94  16.412  -2.471 -17.733
  700   2HB   SER  94          HB3       SER  94  18.122  -2.582 -17.282
  701    HG   SER  94           HG       SER  94  18.479  -0.648 -18.419
  702    H    MET  95           H        MET  95  19.201  -4.958 -20.149
  703    HA   MET  95           HA       MET  95  17.255  -6.864 -20.565
  704   1HB   MET  95          HB2       MET  95  19.033  -8.502 -20.727
  705   2HB   MET  95          HB3       MET  95  19.532  -6.982 -21.467
  706   1HG   MET  95          HG2       MET  95  20.832  -6.427 -19.407
  707   2HG   MET  95          HG3       MET  95  20.361  -7.984 -18.714
  708   1HE   MET  95          HE1       MET  95  23.360  -6.976 -18.890
  709   2HE   MET  95          HE2       MET  95  22.875  -8.543 -18.200
  710   3HE   MET  95          HE3       MET  95  24.175  -8.467 -19.409
  711    H    ALA  96           H        ALA  96  18.712  -6.118 -17.446
  712    HA   ALA  96           HA       ALA  96  17.890  -8.589 -16.184
  713   1HB   ALA  96          HB1       ALA  96  18.631  -7.461 -14.124
  714   2HB   ALA  96          HB2       ALA  96  19.836  -7.279 -15.412
  715   3HB   ALA  96          HB3       ALA  96  18.761  -5.920 -14.991
  716    H    TYR  97           H        TYR  97  16.203  -5.555 -16.860
  717    HA   TYR  97           HA       TYR  97  14.068  -6.302 -14.898
  718   1HB   TYR  97          HB2       TYR  97  15.107  -3.496 -15.380
  719   2HB   TYR  97          HB3       TYR  97  13.961  -4.013 -14.152
  720    HD1  TYR  97           HD1      TYR  97  15.071  -6.187 -12.711
  721    HD2  TYR  97           HD2      TYR  97  17.160  -2.840 -14.463
  722    HE1  TYR  97           HE1      TYR  97  16.924  -6.521 -11.114
  723    HE2  TYR  97           HE2      TYR  97  19.013  -3.156 -12.851
  724    HH   TYR  97           HH       TYR  97  19.013  -5.795 -10.407
  725    H    GLY  98           H        GLY  98  14.736  -5.425 -18.135
  726   1HA   GLY  98          HA2       GLY  98  13.229  -5.188 -19.889
  727   2HA   GLY  98          HA3       GLY  98  11.891  -4.930 -18.763
  728    HA   PRO  99           HA       PRO  99  13.642  -0.804 -20.293
  729   1HB   PRO  99          HB2       PRO  99  11.688   0.001 -22.009
  730   2HB   PRO  99          HB3       PRO  99  12.983  -1.120 -22.526
  731   1HG   PRO  99          HG2       PRO  99  10.156  -1.802 -21.699
  732   2HG   PRO  99          HG3       PRO  99  11.093  -2.428 -23.090
  733   1HD   PRO  99          HD2       PRO  99  10.838  -3.738 -20.653
  734   2HD   PRO  99          HD3       PRO  99  12.238  -3.953 -21.734
  735    H    ALA 100           H        ALA 100  13.001   1.137 -19.274
  736    HA   ALA 100           HA       ALA 100  10.724   1.044 -17.424
  737   1HB   ALA 100          HB1       ALA 100  12.516   3.317 -18.343
  738   2HB   ALA 100          HB2       ALA 100  11.289   3.433 -17.060
  739   3HB   ALA 100          HB3       ALA 100  12.698   2.395 -16.831
  740    H    GLN 101           H        GLN 101   9.013   2.709 -17.560
  741    HA   GLN 101           HA       GLN 101   7.659   2.806 -20.054
  742   1HB   GLN 101          HB2       GLN 101   7.322   4.599 -17.605
  743   2HB   GLN 101          HB3       GLN 101   6.166   4.401 -18.923
  744   1HG   GLN 101          HG2       GLN 101   5.217   2.917 -17.516
  745   2HG   GLN 101          HG3       GLN 101   6.399   1.806 -18.227
  746   1HE2  GLN 101          HE22      GLN 101   5.289   3.291 -15.292
  747   2HE2  GLN 101          HE21      GLN 101   6.560   2.683 -14.256
  748    H    HIS 102           H        HIS 102  10.022   4.973 -18.638
  749    HA   HIS 102           HA       HIS 102  10.957   6.903 -19.072
  750   1HB   HIS 102          HB2       HIS 102  10.267   6.339 -21.942
  751   2HB   HIS 102          HB3       HIS 102  11.495   7.474 -21.369
  752    HD1  HIS 102           HD1      HIS 102  11.295   4.048 -22.634
  753    HD2  HIS 102           HD2      HIS 102  13.298   5.995 -19.503
  754    HE1  HIS 102           HE1      HIS 102  13.191   2.507 -21.907
  755    H    ALA 103           H        ALA 103   7.689   6.803 -20.532
  756    HA   ALA 103           HA       ALA 103   7.268   9.567 -20.771
  757   1HB   ALA 103          HB1       ALA 103   5.279   7.413 -19.914
  758   2HB   ALA 103          HB2       ALA 103   4.885   9.010 -20.596
  759   3HB   ALA 103          HB3       ALA 103   5.725   7.809 -21.589
  760    H    ILE 104           H        ILE 104   7.145   7.481 -17.881
  761    HA   ILE 104           HA       ILE 104   6.089   9.375 -16.023
  762    HB   ILE 104           HB       ILE 104   8.164   7.190 -15.536
  763   1HG1  ILE 104          HG12      ILE 104   6.115   6.250 -16.594
  764   2HG1  ILE 104          HG13      ILE 104   6.471   5.639 -14.990
  765   1HG2  ILE 104          HG21      ILE 104   6.327   8.672 -13.612
  766   2HG2  ILE 104          HG22      ILE 104   7.227   7.198 -13.197
  767   3HG2  ILE 104          HG23      ILE 104   8.100   8.672 -13.638
  768   1HD1  ILE 104          HD11      ILE 104   4.376   7.761 -15.571
  769   2HD1  ILE 104          HD12      ILE 104   4.073   6.018 -15.372
  770   3HD1  ILE 104          HD13      ILE 104   4.698   6.957 -14.006
  771    H    SER 105           H        SER 105   9.497   8.503 -16.887
  772    HA   SER 105           HA       SER 105  10.830  10.294 -15.321
  773   1HB   SER 105          HB2       SER 105  11.634   9.502 -18.144
  774   2HB   SER 105          HB3       SER 105  12.680   9.922 -16.799
  775    HG   SER 105           HG       SER 105  12.466   7.646 -17.107
  776    H    THR 106           H        THR 106   9.767  10.863 -18.749
  777    HA   THR 106           HA       THR 106  10.820  13.468 -18.846
  778    HB   THR 106           HB       THR 106   9.091  13.773 -20.738
  779    HG1  THR 106           HG1      THR 106   7.602  12.163 -20.140
  780   1HG2  THR 106          HG21      THR 106  10.333  12.267 -22.193
  781   2HG2  THR 106          HG22      THR 106  11.444  13.096 -21.090
  782   3HG2  THR 106          HG23      THR 106  11.009  11.401 -20.794
  783    H    GLU 107           H        GLU 107   7.524  12.464 -17.715
  784    HA   GLU 107           HA       GLU 107   6.589  15.155 -17.478
  785   1HB   GLU 107          HB2       GLU 107   5.784  12.545 -16.131
  786   2HB   GLU 107          HB3       GLU 107   4.963  14.067 -15.802
  787   1HG   GLU 107          HG2       GLU 107   5.218  12.851 -18.587
  788   2HG   GLU 107          HG3       GLU 107   3.842  12.614 -17.518
  789    H    LYS 108           H        LYS 108   8.208  12.936 -15.153
  790    HA   LYS 108           HA       LYS 108   8.135  14.782 -12.948
  791   1HB   LYS 108          HB2       LYS 108  10.102  12.525 -13.557
  792   2HB   LYS 108          HB3       LYS 108   9.919  13.347 -12.012
  793   1HG   LYS 108          HG2       LYS 108   7.821  11.580 -13.312
  794   2HG   LYS 108          HG3       LYS 108   8.883  11.184 -11.976
  795   1HD   LYS 108          HD2       LYS 108   7.737  13.318 -10.839
  796   2HD   LYS 108          HD3       LYS 108   6.511  13.076 -12.081
  797   1HE   LYS 108          HE2       LYS 108   5.844  11.927 -10.042
  798   2HE   LYS 108          HE3       LYS 108   6.187  10.729 -11.302
  799   1HZ   LYS 108          HZ1       LYS 108   7.207  10.143  -9.144
  800   2HZ   LYS 108          HZ2       LYS 108   8.361  10.381 -10.268
  801   3HZ   LYS 108          HZ3       LYS 108   8.100  11.530  -9.162
  802    H    ILE 109           H        ILE 109  10.613  14.153 -15.465
  803    HA   ILE 109           HA       ILE 109  12.549  15.969 -14.438
  804    HB   ILE 109           HB       ILE 109  12.038  14.705 -17.150
  805   1HG1  ILE 109          HG12      ILE 109  14.386  14.384 -15.215
  806   2HG1  ILE 109          HG13      ILE 109  12.930  13.406 -15.078
  807   1HG2  ILE 109          HG21      ILE 109  14.368  16.508 -16.419
  808   2HG2  ILE 109          HG22      ILE 109  14.271  15.524 -17.873
  809   3HG2  ILE 109          HG23      ILE 109  13.142  16.860 -17.644
  810   1HD1  ILE 109          HD11      ILE 109  14.858  13.427 -17.435
  811   2HD1  ILE 109          HD12      ILE 109  14.549  12.118 -16.289
  812   3HD1  ILE 109          HD13      ILE 109  13.286  12.593 -17.439
  813    H    LYS 110           H        LYS 110   9.881  16.477 -16.891
  814    HA   LYS 110           HA       LYS 110  10.578  19.225 -17.268
  815   1HB   LYS 110          HB2       LYS 110   7.958  17.730 -17.683
  816   2HB   LYS 110          HB3       LYS 110   8.152  19.458 -17.999
  817   1HG   LYS 110          HG2       LYS 110  10.066  18.929 -19.555
  818   2HG   LYS 110          HG3       LYS 110   9.720  17.216 -19.332
  819   1HD   LYS 110          HD2       LYS 110   8.744  17.961 -21.411
  820   2HD   LYS 110          HD3       LYS 110   7.448  17.546 -20.280
  821   1HE   LYS 110          HE2       LYS 110   7.071  19.909 -19.763
  822   2HE   LYS 110          HE3       LYS 110   8.472  20.394 -20.732
  823   1HZ   LYS 110          HZ1       LYS 110   6.216  20.631 -21.779
  824   2HZ   LYS 110          HZ2       LYS 110   7.343  19.915 -22.697
  825   3HZ   LYS 110          HZ3       LYS 110   6.166  19.011 -21.954
  826    H    ALA 111           H        ALA 111   8.669  17.675 -14.652
  827    HA   ALA 111           HA       ALA 111   7.789  20.205 -13.569
  828   1HB   ALA 111          HB1       ALA 111   7.289  18.937 -11.546
  829   2HB   ALA 111          HB2       ALA 111   6.725  18.048 -12.975
  830   3HB   ALA 111          HB3       ALA 111   8.210  17.545 -12.136
  831    H    LYS 112           H        LYS 112  10.663  18.114 -12.949
  832    HA   LYS 112           HA       LYS 112  11.734  19.791 -10.868
  833   1HB   LYS 112          HB2       LYS 112  12.123  17.373 -11.057
  834   2HB   LYS 112          HB3       LYS 112  13.036  17.622 -12.535
  835   1HG   LYS 112          HG2       LYS 112  14.589  17.332 -10.721
  836   2HG   LYS 112          HG3       LYS 112  14.670  19.007 -11.247
  837   1HD   LYS 112          HD2       LYS 112  13.321  19.732  -9.341
  838   2HD   LYS 112          HD3       LYS 112  13.106  18.065  -8.797
  839   1HE   LYS 112          HE2       LYS 112  15.879  19.263  -9.175
  840   2HE   LYS 112          HE3       LYS 112  14.940  19.649  -7.736
  841   1HZ   LYS 112          HZ1       LYS 112  16.417  17.774  -7.378
  842   2HZ   LYS 112          HZ2       LYS 112  14.869  17.335  -7.159
  843   3HZ   LYS 112          HZ3       LYS 112  15.668  16.867  -8.507
  844    H    TYR 113           H        TYR 113  12.077  19.892 -14.367
  845    HA   TYR 113           HA       TYR 113  13.338  21.035 -15.786
  846   1HB   TYR 113          HB2       TYR 113  13.081  23.258 -13.741
  847   2HB   TYR 113          HB3       TYR 113  13.717  23.461 -15.362
  848    HD1  TYR 113           HD1      TYR 113  12.249  22.824 -17.375
  849    HD2  TYR 113           HD2      TYR 113  10.730  23.527 -13.395
  850    HE1  TYR 113           HE1      TYR 113  10.029  23.344 -18.326
  851    HE2  TYR 113           HE2      TYR 113   8.500  24.058 -14.336
  852    HH   TYR 113           HH       TYR 113   7.828  23.980 -17.870
  853    HA   PRO 114           HA       PRO 114  17.499  20.485 -13.717
  854   1HB   PRO 114          HB2       PRO 114  18.261  18.067 -14.681
  855   2HB   PRO 114          HB3       PRO 114  17.243  18.202 -13.212
  856   1HG   PRO 114          HG2       PRO 114  16.366  17.649 -16.047
  857   2HG   PRO 114          HG3       PRO 114  15.887  16.794 -14.542
  858   1HD   PRO 114          HD2       PRO 114  14.374  18.801 -15.707
  859   2HD   PRO 114          HD3       PRO 114  14.393  18.478 -13.948
  860    H    ASP 115           H        ASP 115  15.870  20.256 -16.778
  861    HA   ASP 115           HA       ASP 115  17.861  21.864 -18.100
  862   1HB   ASP 115          HB2       ASP 115  18.381  19.390 -18.686
  863   2HB   ASP 115          HB3       ASP 115  16.862  19.404 -19.582
  864    H    TYR 116           H        TYR 116  16.570  22.278 -20.477
  865    HA   TYR 116           HA       TYR 116  14.402  23.897 -19.508
  866   1HB   TYR 116          HB2       TYR 116  15.913  24.672 -21.224
  867   2HB   TYR 116          HB3       TYR 116  15.538  23.302 -22.257
  868    HD1  TYR 116           HD1      TYR 116  13.866  23.479 -23.909
  869    HD2  TYR 116           HD2      TYR 116  13.939  26.302 -20.643
  870    HE1  TYR 116           HE1      TYR 116  12.089  24.801 -25.018
  871    HE2  TYR 116           HE2      TYR 116  12.166  27.632 -21.743
  872    HH   TYR 116           HH       TYR 116  10.752  27.821 -23.587
  873    H    GLU 117           H        GLU 117  14.485  21.040 -21.743
  874    HA   GLU 117           HA       GLU 117  11.830  20.217 -20.947
  875   1HB   GLU 117          HB2       GLU 117  11.230  21.939 -22.603
  876   2HB   GLU 117          HB3       GLU 117  12.337  21.230 -23.794
  877   1HG   GLU 117          HG2       GLU 117  10.959  19.268 -24.020
  878   2HG   GLU 117          HG3       GLU 117  10.038  19.671 -22.566
  879    H    VAL 118           H        VAL 118  11.383  18.034 -21.954
  880    HA   VAL 118           HA       VAL 118  13.712  16.748 -23.157
  881    HB   VAL 118           HB       VAL 118  13.580  14.861 -21.538
  882   1HG1  VAL 118          HG11      VAL 118  14.167  17.395 -19.978
  883   2HG1  VAL 118          HG12      VAL 118  15.005  15.820 -19.952
  884   3HG1  VAL 118          HG13      VAL 118  15.146  16.893 -21.351
  885   1HG2  VAL 118          HG21      VAL 118  11.223  15.382 -20.691
  886   2HG2  VAL 118          HG22      VAL 118  12.433  15.010 -19.454
  887   3HG2  VAL 118          HG23      VAL 118  11.938  16.692 -19.740
  888    H    THR 119           H        THR 119  13.188  14.424 -23.736
  889    HA   THR 119           HA       THR 119  10.364  13.982 -24.478
  890    HB   THR 119           HB       THR 119  11.242  13.373 -26.823
  891    HG1  THR 119           HG1      THR 119  13.388  14.963 -25.858
  892   1HG2  THR 119          HG21      THR 119  11.298  16.329 -26.104
  893   2HG2  THR 119          HG22      THR 119  10.993  15.607 -27.700
  894   3HG2  THR 119          HG23      THR 119   9.834  15.363 -26.385
  895    H    TRP 120           H        TRP 120  10.274  11.668 -25.591
  896    HA   TRP 120           HA       TRP 120  12.301   9.865 -24.504
  897   1HB   TRP 120          HB2       TRP 120  10.704   8.408 -23.426
  898   2HB   TRP 120          HB3       TRP 120  10.606   9.985 -22.683
  899    HD1  TRP 120           HD1      TRP 120   8.435  11.494 -23.913
  900    HE1  TRP 120           HE1      TRP 120   6.017  10.723 -24.164
  901    HE3  TRP 120           HE3      TRP 120   9.206   6.439 -23.824
  902    HZ2  TRP 120           HZ2      TRP 120   4.597   8.212 -24.445
  903    HZ3  TRP 120           HZ3      TRP 120   7.296   4.888 -23.987
  904    HH2  TRP 120           HH2      TRP 120   4.990   5.751 -24.345
  905    H    ALA 121           H        ALA 121  11.745   7.563 -25.205
  906    HA   ALA 121           HA       ALA 121   9.918   7.358 -27.441
  907   1HB   ALA 121          HB1       ALA 121  12.049   7.896 -28.613
  908   2HB   ALA 121          HB2       ALA 121  12.876   6.588 -27.738
  909   3HB   ALA 121          HB3       ALA 121  11.593   6.205 -28.905
  910    H    ASN 122           H        ASN 122   9.145   5.233 -27.612
  911    HA   ASN 122           HA       ASN 122   9.399   3.680 -25.148
  912   1HB   ASN 122          HB2       ASN 122   7.209   4.325 -26.250
  913   2HB   ASN 122          HB3       ASN 122   7.619   3.240 -27.577
  914   1HD2  ASN 122          HD22      ASN 122   5.910   1.722 -27.215
  915   2HD2  ASN 122          HD21      ASN 122   5.812   0.745 -25.774
  916    H    ASP 123           H        ASP 123  11.797   3.583 -26.716
  917    HA   ASP 123           HA       ASP 123  12.093   0.777 -27.402
  918   1HB   ASP 123          HB2       ASP 123  11.033   2.036 -29.462
  919   2HB   ASP 123          HB3       ASP 123  12.627   2.754 -29.645
  920    H    GLY 124           H        GLY 124  14.533   0.902 -28.687
  921   1HA   GLY 124          HA2       GLY 124  16.668   1.960 -28.628
  922   2HA   GLY 124          HA3       GLY 124  16.313   2.643 -27.038
  923    H    TYR 125           H        TYR 125  18.633   1.084 -27.682
  924    HA   TYR 125           HA       TYR 125  18.488  -0.976 -25.629
  925   1HB   TYR 125          HB2       TYR 125  19.406  -1.591 -28.476
  926   2HB   TYR 125          HB3       TYR 125  19.690  -2.612 -27.078
  927    HD1  TYR 125           HD1      TYR 125  17.242  -1.615 -29.615
  928    HD2  TYR 125           HD2      TYR 125  17.806  -3.772 -25.924
  929    HE1  TYR 125           HE1      TYR 125  15.069  -2.758 -29.955
  930    HE2  TYR 125           HE2      TYR 125  15.638  -4.914 -26.243
  931    HH   TYR 125           HH       TYR 125  13.766  -5.160 -27.615
  Start of MODEL    7
    1   1H    MET   1          H1        MET   1  13.236   9.827  19.096
    2   2H    MET   1          H2        MET   1  13.057   8.240  19.478
    3   3H    MET   1          H3        MET   1  13.901   8.678  18.144
    4    HA   MET   1           HA       MET   1  11.768   7.851  17.501
    5   1HB   MET   1          HB2       MET   1  10.613   8.454  19.624
    6   2HB   MET   1          HB3       MET   1  10.653  10.160  19.160
    7   1HG   MET   1          HG2       MET   1   9.301   9.626  17.142
    8   2HG   MET   1          HG3       MET   1   9.252   7.930  17.621
    9   1HE   MET   1          HE1       MET   1   7.780   6.940  19.513
   10   2HE   MET   1          HE2       MET   1   8.628   7.908  20.742
   11   3HE   MET   1          HE3       MET   1   6.856   7.902  20.685
   12    H    ALA   2           H        ALA   2  11.438   8.413  15.393
   13    HA   ALA   2           HA       ALA   2  11.348  11.193  14.531
   14   1HB   ALA   2          HB1       ALA   2  13.442   9.250  13.425
   15   2HB   ALA   2          HB2       ALA   2  13.069  10.859  12.771
   16   3HB   ALA   2          HB3       ALA   2  13.790  10.709  14.382
   17    H    VAL   3           H        VAL   3  10.663  11.222  12.178
   18    HA   VAL   3           HA       VAL   3   9.699   8.750  11.027
   19    HB   VAL   3           HB       VAL   3   7.875   9.371  12.574
   20   1HG1  VAL   3          HG11      VAL   3   6.439  11.301  12.175
   21   2HG1  VAL   3          HG12      VAL   3   8.080  11.827  12.569
   22   3HG1  VAL   3          HG13      VAL   3   7.512  11.878  10.885
   23   1HG2  VAL   3          HG21      VAL   3   7.429   8.136  10.446
   24   2HG2  VAL   3          HG22      VAL   3   6.053   9.048  11.083
   25   3HG2  VAL   3          HG23      VAL   3   6.950   9.680   9.699
   26    H    ALA   4           H        ALA   4   8.879   9.219   8.771
   27    HA   ALA   4           HA       ALA   4   9.556  11.751   7.547
   28   1HB   ALA   4          HB1       ALA   4  11.762  10.788   7.392
   29   2HB   ALA   4          HB2       ALA   4  11.128   9.201   6.957
   30   3HB   ALA   4          HB3       ALA   4  11.018  10.543   5.802
   31    H    ASP   5           H        ASP   5   9.025  11.298   4.997
   32    HA   ASP   5           HA       ASP   5   6.760   9.445   4.687
   33   1HB   ASP   5          HB2       ASP   5   5.727  11.415   5.751
   34   2HB   ASP   5          HB3       ASP   5   6.500  12.482   4.574
   35    H    LEU   6           H        LEU   6   6.120   9.315   2.428
   36    HA   LEU   6           HA       LEU   6   8.167   9.207   0.558
   37   1HB   LEU   6          HB2       LEU   6   5.159   9.554   0.208
   38   2HB   LEU   6          HB3       LEU   6   6.260   9.269  -1.116
   39    HG   LEU   6           HG       LEU   6   5.672   7.345   1.152
   40   1HD1  LEU   6          HD11      LEU   6   4.987   7.366  -1.829
   41   2HD1  LEU   6          HD12      LEU   6   4.764   5.971  -0.768
   42   3HD1  LEU   6          HD13      LEU   6   3.873   7.470  -0.463
   43   1HD2  LEU   6          HD21      LEU   6   7.619   7.036  -1.170
   44   2HD2  LEU   6          HD22      LEU   6   7.985   6.975   0.572
   45   3HD2  LEU   6          HD23      LEU   6   7.030   5.698  -0.167
   46    H    ALA   7           H        ALA   7   6.096  12.020   1.320
   47    HA   ALA   7           HA       ALA   7   6.631  13.475  -1.047
   48   1HB   ALA   7          HB1       ALA   7   4.781  13.999   0.505
   49   2HB   ALA   7          HB2       ALA   7   5.958  14.509   1.741
   50   3HB   ALA   7          HB3       ALA   7   5.806  15.419   0.225
   51    H    LEU   8           H        LEU   8   8.660  12.896   1.757
   52    HA   LEU   8           HA       LEU   8  10.325  15.280   1.394
   53   1HB   LEU   8          HB2       LEU   8  10.845  12.754   3.015
   54   2HB   LEU   8          HB3       LEU   8  11.738  14.266   3.118
   55    HG   LEU   8           HG       LEU   8   8.838  13.819   3.944
   56   1HD1  LEU   8          HD11      LEU   8  11.303  14.517   5.594
   57   2HD1  LEU   8          HD12      LEU   8   9.658  14.221   6.203
   58   3HD1  LEU   8          HD13      LEU   8  10.585  12.904   5.464
   59   1HD2  LEU   8          HD21      LEU   8  10.489  16.385   4.027
   60   2HD2  LEU   8          HD22      LEU   8   9.012  16.101   3.076
   61   3HD2  LEU   8          HD23      LEU   8   8.924  16.146   4.837
   62    H    ILE   9           H        ILE   9  10.127  12.151  -0.093
   63    HA   ILE   9           HA       ILE   9  12.897  11.619  -0.430
   64    HB   ILE   9           HB       ILE   9  10.465  10.613  -1.950
   65   1HG1  ILE   9          HG12      ILE   9  12.044   9.526   0.436
   66   2HG1  ILE   9          HG13      ILE   9  10.386  10.146   0.481
   67   1HG2  ILE   9          HG21      ILE   9  11.891   8.753  -2.696
   68   2HG2  ILE   9          HG22      ILE   9  12.527  10.279  -3.278
   69   3HG2  ILE   9          HG23      ILE   9  13.289   9.491  -1.884
   70   1HD1  ILE   9          HD11      ILE   9  11.347   7.588  -0.807
   71   2HD1  ILE   9          HD12      ILE   9  10.249   7.787   0.559
   72   3HD1  ILE   9          HD13      ILE   9   9.722   8.271  -1.072
   73    HA   PRO  10           HA       PRO  10  13.682  14.570  -3.839
   74   1HB   PRO  10          HB2       PRO  10  15.845  12.580  -4.524
   75   2HB   PRO  10          HB3       PRO  10  15.939  14.360  -4.397
   76   1HG   PRO  10          HG2       PRO  10  16.893  12.766  -2.411
   77   2HG   PRO  10          HG3       PRO  10  15.988  14.265  -2.022
   78   1HD   PRO  10          HD2       PRO  10  14.971  11.414  -2.042
   79   2HD   PRO  10          HD3       PRO  10  14.703  12.710  -0.836
   80    H    ASP  11           H        ASP  11  12.142  14.453  -5.407
   81    HA   ASP  11           HA       ASP  11  11.137  11.984  -6.395
   82   1HB   ASP  11          HB2       ASP  11   9.870  14.125  -6.053
   83   2HB   ASP  11          HB3       ASP  11  10.678  14.787  -7.480
   84    H    VAL  12           H        VAL  12  13.372  14.360  -7.766
   85    HA   VAL  12           HA       VAL  12  14.063  12.536 -10.002
   86    HB   VAL  12           HB       VAL  12  13.620  15.552 -10.238
   87   1HG1  VAL  12          HG11      VAL  12  14.388  13.487 -12.358
   88   2HG1  VAL  12          HG12      VAL  12  14.026  15.205 -12.645
   89   3HG1  VAL  12          HG13      VAL  12  15.449  14.761 -11.707
   90   1HG2  VAL  12          HG21      VAL  12  11.819  14.974 -11.829
   91   2HG2  VAL  12          HG22      VAL  12  12.012  13.252 -11.409
   92   3HG2  VAL  12          HG23      VAL  12  11.447  14.423 -10.196
   93    H    ASP  13           H        ASP  13  16.295  12.378 -10.166
   94    HA   ASP  13           HA       ASP  13  17.985  14.597  -9.521
   95   1HB   ASP  13          HB2       ASP  13  17.744  13.573  -7.216
   96   2HB   ASP  13          HB3       ASP  13  18.371  12.064  -7.862
   97    H    ILE  14           H        ILE  14  19.372  14.503 -11.225
   98    HA   ILE  14           HA       ILE  14  20.330  11.939 -12.252
   99    HB   ILE  14           HB       ILE  14  19.813  12.635 -14.594
  100   1HG1  ILE  14          HG12      ILE  14  17.737  14.551 -13.432
  101   2HG1  ILE  14          HG13      ILE  14  19.304  15.076 -14.064
  102   1HG2  ILE  14          HG21      ILE  14  17.584  11.699 -14.642
  103   2HG2  ILE  14          HG22      ILE  14  18.492  10.916 -13.353
  104   3HG2  ILE  14          HG23      ILE  14  17.293  12.159 -12.951
  105   1HD1  ILE  14          HD11      ILE  14  17.615  15.377 -15.762
  106   2HD1  ILE  14          HD12      ILE  14  18.727  14.094 -16.280
  107   3HD1  ILE  14          HD13      ILE  14  17.114  13.686 -15.649
  108    H    ASP  15           H        ASP  15  22.217  12.224 -13.589
  109    HA   ASP  15           HA       ASP  15  23.975  14.305 -12.680
  110   1HB   ASP  15          HB2       ASP  15  24.771  12.115 -13.345
  111   2HB   ASP  15          HB3       ASP  15  24.221  12.365 -15.006
  112    H    SER  16           H        SER  16  24.643  16.216 -13.635
  113    HA   SER  16           HA       SER  16  22.675  17.470 -15.281
  114   1HB   SER  16          HB2       SER  16  25.338  18.575 -14.318
  115   2HB   SER  16          HB3       SER  16  23.874  19.483 -14.730
  116    HG   SER  16           HG       SER  16  24.127  19.220 -12.468
  117    H    ASP  17           H        ASP  17  25.631  15.819 -16.234
  118    HA   ASP  17           HA       ASP  17  25.584  17.044 -18.898
  119   1HB   ASP  17          HB2       ASP  17  26.813  18.789 -17.779
  120   2HB   ASP  17          HB3       ASP  17  27.825  17.618 -16.931
  121    H    GLY  18           H        GLY  18  25.479  15.039 -19.868
  122   1HA   GLY  18          HA2       GLY  18  27.728  13.738 -20.609
  123   2HA   GLY  18          HA3       GLY  18  27.293  12.872 -19.130
  124    H    VAL  19           H        VAL  19  27.253  11.171 -20.879
  125    HA   VAL  19           HA       VAL  19  24.433  10.711 -21.707
  126    HB   VAL  19           HB       VAL  19  27.014   9.797 -23.070
  127   1HG1  VAL  19          HG11      VAL  19  24.125   9.010 -23.614
  128   2HG1  VAL  19          HG12      VAL  19  25.487   8.667 -24.705
  129   3HG1  VAL  19          HG13      VAL  19  25.443   7.943 -23.090
  130   1HG2  VAL  19          HG21      VAL  19  24.728  11.534 -24.100
  131   2HG2  VAL  19          HG22      VAL  19  26.369  12.089 -23.715
  132   3HG2  VAL  19          HG23      VAL  19  26.113  10.969 -25.056
  133    H    PHE  20           H        PHE  20  23.608   8.997 -20.513
  134    HA   PHE  20           HA       PHE  20  25.397   7.120 -19.141
  135   1HB   PHE  20          HB2       PHE  20  24.583   7.897 -16.889
  136   2HB   PHE  20          HB3       PHE  20  25.719   8.953 -17.700
  137    HD1  PHE  20           HD1      PHE  20  25.212  11.221 -18.229
  138    HD2  PHE  20           HD2      PHE  20  22.122   8.599 -16.757
  139    HE1  PHE  20           HE1      PHE  20  23.718  13.169 -17.886
  140    HE2  PHE  20           HE2      PHE  20  20.651  10.558 -16.374
  141    HZ   PHE  20           HZ       PHE  20  21.436  12.840 -16.957
  142    H    LYS  21           H        LYS  21  24.077   5.777 -17.527
  143    HA   LYS  21           HA       LYS  21  21.553   5.027 -18.887
  144   1HB   LYS  21          HB2       LYS  21  23.314   3.570 -16.868
  145   2HB   LYS  21          HB3       LYS  21  21.776   2.954 -17.489
  146   1HG   LYS  21          HG2       LYS  21  22.619   2.891 -19.772
  147   2HG   LYS  21          HG3       LYS  21  24.139   3.664 -19.280
  148   1HD   LYS  21          HD2       LYS  21  24.639   1.743 -17.803
  149   2HD   LYS  21          HD3       LYS  21  23.171   0.921 -18.372
  150   1HE   LYS  21          HE2       LYS  21  24.030   0.951 -20.691
  151   2HE   LYS  21          HE3       LYS  21  25.452   1.864 -20.169
  152   1HZ   LYS  21          HZ1       LYS  21  24.807  -0.910 -19.365
  153   2HZ   LYS  21          HZ2       LYS  21  26.003  -0.446 -20.372
  154   3HZ   LYS  21          HZ3       LYS  21  26.080  -0.041 -18.785
  155    H    TYR  22           H        TYR  22  19.712   4.450 -17.507
  156    HA   TYR  22           HA       TYR  22  19.529   5.923 -14.950
  157   1HB   TYR  22          HB2       TYR  22  18.381   7.576 -15.896
  158   2HB   TYR  22          HB3       TYR  22  18.503   6.840 -17.471
  159    HD1  TYR  22           HD1      TYR  22  16.835   4.843 -17.903
  160    HD2  TYR  22           HD2      TYR  22  16.198   7.982 -15.041
  161    HE1  TYR  22           HE1      TYR  22  14.412   4.342 -17.912
  162    HE2  TYR  22           HE2      TYR  22  13.740   7.560 -15.141
  163    HH   TYR  22           HH       TYR  22  12.060   6.503 -16.307
  164    H    VAL  23           H        VAL  23  17.404   5.387 -13.871
  165    HA   VAL  23           HA       VAL  23  16.176   2.871 -14.617
  166    HB   VAL  23           HB       VAL  23  18.227   2.291 -13.228
  167   1HG1  VAL  23          HG11      VAL  23  16.620   3.471 -10.923
  168   2HG1  VAL  23          HG12      VAL  23  18.135   2.563 -10.803
  169   3HG1  VAL  23          HG13      VAL  23  18.106   4.152 -11.598
  170   1HG2  VAL  23          HG21      VAL  23  16.386   0.718 -13.503
  171   2HG2  VAL  23          HG22      VAL  23  17.140   0.580 -11.915
  172   3HG2  VAL  23          HG23      VAL  23  15.568   1.393 -12.073
  173    H    LEU  24           H        LEU  24  14.155   2.581 -13.424
  174    HA   LEU  24           HA       LEU  24  13.092   5.074 -12.163
  175   1HB   LEU  24          HB2       LEU  24  12.337   4.569 -14.523
  176   2HB   LEU  24          HB3       LEU  24  11.614   3.083 -13.936
  177    HG   LEU  24           HG       LEU  24  10.859   5.926 -13.089
  178   1HD1  LEU  24          HD11      LEU  24   9.422   3.902 -14.862
  179   2HD1  LEU  24          HD12      LEU  24   8.782   5.479 -14.367
  180   3HD1  LEU  24          HD13      LEU  24  10.213   5.402 -15.405
  181   1HD2  LEU  24          HD21      LEU  24   9.767   3.219 -12.241
  182   2HD2  LEU  24          HD22      LEU  24  10.238   4.606 -11.226
  183   3HD2  LEU  24          HD23      LEU  24   8.771   4.683 -12.199
  184    H    ILE  25           H        ILE  25  12.558   4.594 -10.013
  185    HA   ILE  25           HA       ILE  25  11.965   1.749  -9.433
  186    HB   ILE  25           HB       ILE  25  13.436   1.468  -7.933
  187   1HG1  ILE  25          HG12      ILE  25  13.372   4.260  -6.791
  188   2HG1  ILE  25          HG13      ILE  25  12.306   2.954  -6.278
  189   1HG2  ILE  25          HG21      ILE  25  15.609   2.599  -8.083
  190   2HG2  ILE  25          HG22      ILE  25  14.894   2.404  -9.683
  191   3HG2  ILE  25          HG23      ILE  25  14.851   3.989  -8.861
  192   1HD1  ILE  25          HD11      ILE  25  15.310   3.031  -5.944
  193   2HD1  ILE  25          HD12      ILE  25  14.054   3.037  -4.701
  194   3HD1  ILE  25          HD13      ILE  25  14.299   1.579  -5.682
  195    H    ARG  26           H        ARG  26  10.332   1.263  -8.174
  196    HA   ARG  26           HA       ARG  26   8.400   3.376  -7.424
  197   1HB   ARG  26          HB2       ARG  26   7.736   1.221  -8.575
  198   2HB   ARG  26          HB3       ARG  26   8.283   0.334  -7.151
  199   1HG   ARG  26          HG2       ARG  26   6.549   1.570  -5.786
  200   2HG   ARG  26          HG3       ARG  26   6.054   2.425  -7.255
  201   1HD   ARG  26          HD2       ARG  26   4.519   0.607  -6.902
  202   2HD   ARG  26          HD3       ARG  26   5.519   0.200  -8.301
  203    HE   ARG  26           HE       ARG  26   6.260  -0.773  -5.575
  204   1HH1  ARG  26          HH21      ARG  26   5.085  -1.682  -8.812
  205   2HH1  ARG  26          HH22      ARG  26   5.294  -3.371  -8.540
  206   1HH2  ARG  26          HH11      ARG  26   6.409  -2.930  -5.182
  207   2HH2  ARG  26          HH12      ARG  26   6.092  -4.114  -6.410
  208    H    VAL  27           H        VAL  27   7.817   3.634  -5.217
  209    HA   VAL  27           HA       VAL  27   9.525   2.404  -3.132
  210    HB   VAL  27           HB       VAL  27   8.744   5.349  -3.318
  211   1HG1  VAL  27          HG11      VAL  27  10.802   3.935  -1.577
  212   2HG1  VAL  27          HG12      VAL  27  10.433   5.664  -1.570
  213   3HG1  VAL  27          HG13      VAL  27   9.209   4.514  -1.034
  214   1HG2  VAL  27          HG21      VAL  27  11.436   4.146  -4.084
  215   2HG2  VAL  27          HG22      VAL  27  10.317   5.028  -5.153
  216   3HG2  VAL  27          HG23      VAL  27  11.116   5.880  -3.838
  217    H    HIS  28           H        HIS  28   8.313   1.947  -1.283
  218    HA   HIS  28           HA       HIS  28   5.370   2.555  -1.279
  219   1HB   HIS  28          HB2       HIS  28   6.973   0.289  -0.037
  220   2HB   HIS  28          HB3       HIS  28   5.234   0.528   0.112
  221    HD1  HIS  28           HD1      HIS  28   3.902   0.498  -2.449
  222    HD2  HIS  28           HD2      HIS  28   7.754  -1.167  -2.094
  223    HE1  HIS  28           HE1      HIS  28   4.138  -1.149  -4.351
  224    H    SER  29           H        SER  29   4.465   3.333   0.615
  225    HA   SER  29           HA       SER  29   6.081   4.968   2.288
  226   1HB   SER  29          HB2       SER  29   3.246   4.039   2.777
  227   2HB   SER  29          HB3       SER  29   4.045   5.414   3.541
  228    HG   SER  29           HG       SER  29   3.388   5.068   0.796
  229    H    ALA  30           H        ALA  30   7.654   3.739   3.278
  230    HA   ALA  30           HA       ALA  30   6.737   2.644   5.836
  231   1HB   ALA  30          HB1       ALA  30   7.081   0.664   4.413
  232   2HB   ALA  30          HB2       ALA  30   8.745   1.172   4.079
  233   3HB   ALA  30          HB3       ALA  30   8.265   0.725   5.725
  234    HA   PRO  31           HA       PRO  31  11.000   5.128   5.787
  235   1HB   PRO  31          HB2       PRO  31   9.233   7.493   6.335
  236   2HB   PRO  31          HB3       PRO  31  10.908   7.442   5.681
  237   1HG   PRO  31          HG2       PRO  31   8.753   7.764   4.043
  238   2HG   PRO  31          HG3       PRO  31  10.174   6.803   3.564
  239   1HD   PRO  31          HD2       PRO  31   7.477   5.861   4.475
  240   2HD   PRO  31          HD3       PRO  31   8.642   5.110   3.343
  241    H    ARG  32           H        ARG  32  11.944   5.202   7.703
  242    HA   ARG  32           HA       ARG  32  12.348   4.596   9.822
  243   1HB   ARG  32          HB2       ARG  32  10.258   6.701  10.441
  244   2HB   ARG  32          HB3       ARG  32  11.568   6.189  11.499
  245   1HG   ARG  32          HG2       ARG  32  11.885   7.688   8.860
  246   2HG   ARG  32          HG3       ARG  32  12.074   8.341  10.486
  247   1HD   ARG  32          HD2       ARG  32  13.966   6.687  10.837
  248   2HD   ARG  32          HD3       ARG  32  13.877   6.304   9.115
  249    HE   ARG  32           HE       ARG  32  15.042   8.614  10.375
  250   1HH1  ARG  32          HH22      ARG  32  13.575   7.556   7.308
  251   2HH1  ARG  32          HH21      ARG  32  14.050   8.987   6.448
  252   1HH2  ARG  32          HH11      ARG  32  15.801  10.408   9.180
  253   2HH2  ARG  32          HH12      ARG  32  15.449  10.569   7.505
  254    H    SER  33           H        SER  33  10.076   3.047   8.537
  255    HA   SER  33           HA       SER  33   8.454   1.612   9.008
  256   1HB   SER  33          HB2       SER  33   9.847   1.252  11.685
  257   2HB   SER  33          HB3       SER  33   8.811   0.085  10.849
  258    HG   SER  33           HG       SER  33  11.046  -0.335  10.537
  259    H    GLY  34           H        GLY  34   7.888   4.423   9.628
  260   1HA   GLY  34          HA2       GLY  34   5.644   4.079  11.557
  261   2HA   GLY  34          HA3       GLY  34   6.899   5.286  11.869
  262    H    ALA  35           H        ALA  35   6.464   5.091   8.505
  263    HA   ALA  35           HA       ALA  35   5.209   7.583   8.200
  264   1HB   ALA  35          HB1       ALA  35   4.897   6.872   5.840
  265   2HB   ALA  35          HB2       ALA  35   5.313   5.205   6.292
  266   3HB   ALA  35          HB3       ALA  35   6.520   6.513   6.454
  267    HA   PRO  36           HA       PRO  36   1.108   6.748   9.324
  268   1HB   PRO  36          HB2       PRO  36  -0.335   8.756   8.151
  269   2HB   PRO  36          HB3       PRO  36   0.940   9.053   9.368
  270   1HG   PRO  36          HG2       PRO  36   1.211   9.139   6.341
  271   2HG   PRO  36          HG3       PRO  36   1.693  10.398   7.526
  272   1HD   PRO  36          HD2       PRO  36   3.486   8.597   6.575
  273   2HD   PRO  36          HD3       PRO  36   3.524   9.112   8.287
  274    H    ALA  37           H        ALA  37   1.831   5.845   6.142
  275    HA   ALA  37           HA       ALA  37  -0.855   4.733   5.650
  276   1HB   ALA  37          HB1       ALA  37   0.516   6.690   3.744
  277   2HB   ALA  37          HB2       ALA  37  -1.046   5.875   3.483
  278   3HB   ALA  37          HB3       ALA  37  -0.882   7.080   4.769
  279    H    ALA  38           H        ALA  38  -0.667   3.745   3.243
  280    HA   ALA  38           HA       ALA  38   1.981   2.511   2.754
  281   1HB   ALA  38          HB1       ALA  38  -0.626   0.967   2.738
  282   2HB   ALA  38          HB2       ALA  38   0.998   0.364   2.316
  283   3HB   ALA  38          HB3       ALA  38   0.644   0.846   3.986
  284    H    GLU  39           H        GLU  39   0.951   4.835   1.597
  285    HA   GLU  39           HA       GLU  39  -0.056   4.169  -1.051
  286   1HB   GLU  39          HB2       GLU  39   1.193   6.711   0.104
  287   2HB   GLU  39          HB3       GLU  39   0.559   6.566  -1.540
  288   1HG   GLU  39          HG2       GLU  39  -1.684   5.974  -0.605
  289   2HG   GLU  39          HG3       GLU  39  -1.060   6.251   1.021
  290    H    SER  40           H        SER  40   1.405   4.928  -2.989
  291    HA   SER  40           HA       SER  40   4.244   4.256  -2.564
  292   1HB   SER  40          HB2       SER  40   2.647   2.982  -4.799
  293   2HB   SER  40          HB3       SER  40   4.285   2.595  -4.268
  294    HG   SER  40           HG       SER  40   1.849   2.120  -2.873
  295    H    LYS  41           H        LYS  41   5.574   4.901  -4.405
  296    HA   LYS  41           HA       LYS  41   4.462   6.731  -6.392
  297   1HB   LYS  41          HB2       LYS  41   5.765   8.673  -5.708
  298   2HB   LYS  41          HB3       LYS  41   4.645   8.202  -4.459
  299   1HG   LYS  41          HG2       LYS  41   6.447   8.654  -3.174
  300   2HG   LYS  41          HG3       LYS  41   6.661   6.927  -3.386
  301   1HD   LYS  41          HD2       LYS  41   8.784   7.780  -3.552
  302   2HD   LYS  41          HD3       LYS  41   8.376   7.557  -5.241
  303   1HE   LYS  41          HE2       LYS  41   8.133  10.204  -3.701
  304   2HE   LYS  41          HE3       LYS  41   9.572   9.709  -4.584
  305   1HZ   LYS  41          HZ1       LYS  41   8.318  11.098  -6.047
  306   2HZ   LYS  41          HZ2       LYS  41   8.173   9.612  -6.622
  307   3HZ   LYS  41          HZ3       LYS  41   6.926  10.291  -5.773
  308    H    GLU  42           H        GLU  42   6.301   7.538  -7.852
  309    HA   GLU  42           HA       GLU  42   8.438   5.454  -8.036
  310   1HB   GLU  42          HB2       GLU  42   7.043   7.080 -10.208
  311   2HB   GLU  42          HB3       GLU  42   8.449   6.064 -10.447
  312   1HG   GLU  42          HG2       GLU  42   6.638   4.743 -11.159
  313   2HG   GLU  42          HG3       GLU  42   7.104   4.087  -9.595
  314    H    ILE  43           H        ILE  43  10.562   6.209  -8.670
  315    HA   ILE  43           HA       ILE  43  10.958   9.138  -8.817
  316    HB   ILE  43           HB       ILE  43  13.031   8.955  -7.491
  317   1HG1  ILE  43          HG12      ILE  43  12.037   6.207  -6.643
  318   2HG1  ILE  43          HG13      ILE  43  13.431   6.513  -7.684
  319   1HG2  ILE  43          HG21      ILE  43  11.991   9.201  -5.374
  320   2HG2  ILE  43          HG22      ILE  43  10.812   9.727  -6.578
  321   3HG2  ILE  43          HG23      ILE  43  10.653   8.117  -5.824
  322   1HD1  ILE  43          HD11      ILE  43  14.544   7.734  -5.815
  323   2HD1  ILE  43          HD12      ILE  43  13.175   7.327  -4.754
  324   3HD1  ILE  43          HD13      ILE  43  14.187   6.045  -5.423
  325    H    VAL  44           H        VAL  44  12.887   9.738  -9.871
  326    HA   VAL  44           HA       VAL  44  13.721   7.824 -12.013
  327    HB   VAL  44           HB       VAL  44  12.955  10.769 -11.913
  328   1HG1  VAL  44          HG11      VAL  44  13.518  10.958 -14.326
  329   2HG1  VAL  44          HG12      VAL  44  14.935  10.823 -13.281
  330   3HG1  VAL  44          HG13      VAL  44  14.396   9.421 -14.220
  331   1HG2  VAL  44          HG21      VAL  44  11.155   9.049 -12.237
  332   2HG2  VAL  44          HG22      VAL  44  11.317  10.167 -13.588
  333   3HG2  VAL  44          HG23      VAL  44  11.971   8.520 -13.721
  334    H    ARG  45           H        ARG  45  15.889   7.408 -12.079
  335    HA   ARG  45           HA       ARG  45  17.845   9.302 -10.852
  336   1HB   ARG  45          HB2       ARG  45  17.746   6.263 -10.542
  337   2HB   ARG  45          HB3       ARG  45  19.066   7.278  -9.999
  338   1HG   ARG  45          HG2       ARG  45  16.237   7.315  -8.855
  339   2HG   ARG  45          HG3       ARG  45  17.609   6.433  -8.229
  340   1HD   ARG  45          HD2       ARG  45  17.772   8.286  -6.877
  341   2HD   ARG  45          HD3       ARG  45  18.775   8.854  -8.211
  342    HE   ARG  45           HE       ARG  45  16.755   9.965  -9.118
  343   1HH1  ARG  45          HH21      ARG  45  16.901   9.526  -5.565
  344   2HH1  ARG  45          HH22      ARG  45  15.403  10.379  -5.321
  345   1HH2  ARG  45          HH11      ARG  45  14.800  10.925  -8.731
  346   2HH2  ARG  45          HH12      ARG  45  14.256  11.240  -7.089
  347    H    GLY  46           H        GLY  46  19.909   9.257 -11.949
  348   1HA   GLY  46          HA2       GLY  46  20.807   7.143 -13.540
  349   2HA   GLY  46          HA3       GLY  46  20.029   8.295 -14.640
  350    H    TYR  47           H        TYR  47  22.987   7.464 -13.865
  351    HA   TYR  47           HA       TYR  47  24.072  10.169 -14.038
  352   1HB   TYR  47          HB2       TYR  47  25.035   8.401 -11.772
  353   2HB   TYR  47          HB3       TYR  47  25.394  10.092 -12.038
  354    HD1  TYR  47           HD1      TYR  47  22.885   7.653 -10.909
  355    HD2  TYR  47           HD2      TYR  47  23.940  11.821 -11.052
  356    HE1  TYR  47           HE1      TYR  47  21.177   8.129  -9.168
  357    HE2  TYR  47           HE2      TYR  47  22.263  12.313  -9.299
  358    HH   TYR  47           HH       TYR  47  20.751  11.408  -7.776
  359    H    LYS  48           H        LYS  48  26.309  10.136 -14.703
  360    HA   LYS  48           HA       LYS  48  27.018   7.846 -16.250
  361   1HB   LYS  48          HB2       LYS  48  29.151   9.062 -16.678
  362   2HB   LYS  48          HB3       LYS  48  27.686   9.946 -17.072
  363   1HG   LYS  48          HG2       LYS  48  27.902  11.300 -15.021
  364   2HG   LYS  48          HG3       LYS  48  29.379  10.415 -14.582
  365   1HD   LYS  48          HD2       LYS  48  30.478  11.180 -16.638
  366   2HD   LYS  48          HD3       LYS  48  29.012  12.000 -17.181
  367   1HE   LYS  48          HE2       LYS  48  30.452  12.713 -14.589
  368   2HE   LYS  48          HE3       LYS  48  30.868  13.428 -16.149
  369   1HZ   LYS  48          HZ1       LYS  48  28.220  13.670 -14.827
  370   2HZ   LYS  48          HZ2       LYS  48  29.348  14.840 -14.993
  371   3HZ   LYS  48          HZ3       LYS  48  28.577  14.259 -16.313
  372    H    TRP  49           H        TRP  49  27.689   8.470 -12.859
  373    HA   TRP  49           HA       TRP  49  29.900   6.614 -12.790
  374   1HB   TRP  49          HB2       TRP  49  29.454   6.550 -10.331
  375   2HB   TRP  49          HB3       TRP  49  29.893   8.084 -11.036
  376    HD1  TRP  49           HD1      TRP  49  28.548  10.084 -10.335
  377    HE1  TRP  49           HE1      TRP  49  26.424  10.523  -8.999
  378    HE3  TRP  49           HE3      TRP  49  26.801   5.273  -9.979
  379    HZ2  TRP  49           HZ2      TRP  49  24.238   8.974  -7.866
  380    HZ3  TRP  49           HZ3      TRP  49  24.647   4.815  -8.900
  381    HH2  TRP  49           HH2      TRP  49  23.337   6.657  -7.832
  382    H    ALA  50           H        ALA  50  26.365   6.119 -12.919
  383    HA   ALA  50           HA       ALA  50  26.692   3.298 -12.154
  384   1HB   ALA  50          HB1       ALA  50  24.295   3.144 -12.647
  385   2HB   ALA  50          HB2       ALA  50  24.696   4.322 -11.393
  386   3HB   ALA  50          HB3       ALA  50  24.264   4.883 -13.037
  387    H    GLU  51           H        GLU  51  28.188   2.661 -13.739
  388    HA   GLU  51           HA       GLU  51  27.713   2.866 -16.560
  389   1HB   GLU  51          HB2       GLU  51  29.384   0.891 -14.942
  390   2HB   GLU  51          HB3       GLU  51  29.439   1.069 -16.703
  391   1HG   GLU  51          HG2       GLU  51  30.090   3.472 -16.404
  392   2HG   GLU  51          HG3       GLU  51  30.157   3.209 -14.659
  393    H    TYR  52           H        TYR  52  25.970   1.093 -14.233
  394    HA   TYR  52           HA       TYR  52  24.612  -0.439 -16.303
  395   1HB   TYR  52          HB2       TYR  52  24.606  -2.432 -14.596
  396   2HB   TYR  52          HB3       TYR  52  25.850  -2.252 -15.814
  397    HD1  TYR  52           HD1      TYR  52  28.078  -1.301 -15.227
  398    HD2  TYR  52           HD2      TYR  52  25.214  -2.461 -12.244
  399    HE1  TYR  52           HE1      TYR  52  29.909  -1.429 -13.542
  400    HE2  TYR  52           HE2      TYR  52  27.013  -2.605 -10.543
  401    HH   TYR  52           HH       TYR  52  30.453  -1.887 -11.319
  402    H    HIS  53           H        HIS  53  22.437  -0.763 -15.742
  403    HA   HIS  53           HA       HIS  53  21.242   1.158 -14.098
  404   1HB   HIS  53          HB2       HIS  53  19.889  -1.452 -14.842
  405   2HB   HIS  53          HB3       HIS  53  19.162   0.143 -14.659
  406    HD1  HIS  53           HD1      HIS  53  19.449   1.814 -16.836
  407    HD2  HIS  53           HD2      HIS  53  21.089  -2.060 -17.136
  408    HE1  HIS  53           HE1      HIS  53  20.144   1.487 -19.280
  409    H    ALA  54           H        ALA  54  22.183  -2.191 -13.334
  410    HA   ALA  54           HA       ALA  54  20.749  -2.429 -10.897
  411   1HB   ALA  54          HB1       ALA  54  22.328  -4.239 -10.381
  412   2HB   ALA  54          HB2       ALA  54  21.767  -4.352 -12.058
  413   3HB   ALA  54          HB3       ALA  54  23.393  -3.722 -11.701
  414    H    ASP  55           H        ASP  55  23.683  -0.563 -11.649
  415    HA   ASP  55           HA       ASP  55  24.682  -0.496  -8.947
  416   1HB   ASP  55          HB2       ASP  55  25.992   0.139 -11.064
  417   2HB   ASP  55          HB3       ASP  55  25.078   1.625 -11.088
  418    H    ILE  56           H        ILE  56  22.664   1.768 -10.898
  419    HA   ILE  56           HA       ILE  56  22.224   3.561  -8.695
  420    HB   ILE  56           HB       ILE  56  20.068   4.068 -10.264
  421   1HG1  ILE  56          HG12      ILE  56  22.054   2.830 -12.187
  422   2HG1  ILE  56          HG13      ILE  56  20.315   2.550 -12.006
  423   1HG2  ILE  56          HG21      ILE  56  21.703   5.620  -9.381
  424   2HG2  ILE  56          HG22      ILE  56  22.818   5.208 -10.702
  425   3HG2  ILE  56          HG23      ILE  56  21.251   5.982 -11.038
  426   1HD1  ILE  56          HD11      ILE  56  21.727   4.977 -13.174
  427   2HD1  ILE  56          HD12      ILE  56  20.739   3.780 -14.020
  428   3HD1  ILE  56          HD13      ILE  56  19.969   4.901 -12.870
  429    H    TYR  57           H        TYR  57  20.381   0.707  -9.951
  430    HA   TYR  57           HA       TYR  57  18.187   1.170  -8.195
  431   1HB   TYR  57          HB2       TYR  57  17.966  -0.455  -9.984
  432   2HB   TYR  57          HB3       TYR  57  19.263  -1.442  -9.311
  433    HD1  TYR  57           HD1      TYR  57  18.515  -3.385  -8.227
  434    HD2  TYR  57           HD2      TYR  57  16.118   0.196  -7.952
  435    HE1  TYR  57           HE1      TYR  57  16.915  -4.572  -6.762
  436    HE2  TYR  57           HE2      TYR  57  14.524  -0.979  -6.474
  437    HH   TYR  57           HH       TYR  57  14.942  -4.414  -5.524
  438    H    ASP  58           H        ASP  58  21.200  -0.832  -7.673
  439    HA   ASP  58           HA       ASP  58  20.471  -1.654  -5.068
  440   1HB   ASP  58          HB2       ASP  58  22.254  -2.737  -6.325
  441   2HB   ASP  58          HB3       ASP  58  23.217  -1.255  -6.307
  442    H    LYS  59           H        LYS  59  22.415   1.173  -6.150
  443    HA   LYS  59           HA       LYS  59  23.062   2.195  -3.585
  444   1HB   LYS  59          HB2       LYS  59  24.188   2.916  -5.548
  445   2HB   LYS  59          HB3       LYS  59  22.707   3.492  -6.311
  446   1HG   LYS  59          HG2       LYS  59  22.667   5.464  -5.177
  447   2HG   LYS  59          HG3       LYS  59  23.371   4.782  -3.692
  448   1HD   LYS  59          HD2       LYS  59  25.580   4.733  -4.638
  449   2HD   LYS  59          HD3       LYS  59  24.972   5.181  -6.239
  450   1HE   LYS  59          HE2       LYS  59  24.162   7.363  -5.274
  451   2HE   LYS  59          HE3       LYS  59  24.900   6.918  -3.728
  452   1HZ   LYS  59          HZ1       LYS  59  26.356   8.333  -5.032
  453   2HZ   LYS  59          HZ2       LYS  59  27.054   6.872  -4.860
  454   3HZ   LYS  59          HZ3       LYS  59  26.356   7.285  -6.286
  455    H    VAL  60           H        VAL  60  20.260   3.021  -5.740
  456    HA   VAL  60           HA       VAL  60  19.346   4.874  -3.714
  457    HB   VAL  60           HB       VAL  60  18.173   4.187  -6.407
  458   1HG1  VAL  60          HG11      VAL  60  16.878   6.290  -6.061
  459   2HG1  VAL  60          HG12      VAL  60  16.458   5.098  -4.837
  460   3HG1  VAL  60          HG13      VAL  60  17.541   6.430  -4.414
  461   1HG2  VAL  60          HG21      VAL  60  20.448   5.207  -6.492
  462   2HG2  VAL  60          HG22      VAL  60  19.278   6.405  -6.963
  463   3HG2  VAL  60          HG23      VAL  60  19.950   6.457  -5.335
  464    H    SER  61           H        SER  61  18.200   1.583  -4.745
  465    HA   SER  61           HA       SER  61  15.979   1.682  -2.922
  466   1HB   SER  61          HB2       SER  61  15.992  -0.760  -3.020
  467   2HB   SER  61          HB3       SER  61  16.075  -0.033  -4.631
  468    HG   SER  61           HG       SER  61  18.215  -0.513  -4.753
  469    H    GLY  62           H        GLY  62  19.477   1.046  -2.472
  470   1HA   GLY  62          HA2       GLY  62  19.407   0.203   0.229
  471   2HA   GLY  62          HA3       GLY  62  20.733   1.061  -0.582
  472    H    ASP  63           H        ASP  63  19.791   3.562  -1.146
  473    HA   ASP  63           HA       ASP  63  19.734   4.844   1.383
  474   1HB   ASP  63          HB2       ASP  63  20.508   5.972  -0.673
  475   2HB   ASP  63          HB3       ASP  63  18.854   5.985  -1.299
  476    H    MET  64           H        MET  64  17.009   4.183  -0.925
  477    HA   MET  64           HA       MET  64  14.995   5.389   0.665
  478   1HB   MET  64          HB2       MET  64  14.818   2.912  -1.107
  479   2HB   MET  64          HB3       MET  64  13.449   3.830  -0.497
  480   1HG   MET  64          HG2       MET  64  15.433   4.896  -2.498
  481   2HG   MET  64          HG3       MET  64  13.803   4.330  -2.800
  482   1HE   MET  64          HE1       MET  64  15.898   6.957  -0.738
  483   2HE   MET  64          HE2       MET  64  15.956   7.254  -2.496
  484   3HE   MET  64          HE3       MET  64  15.159   8.419  -1.416
  485    H    GLN  65           H        GLN  65  16.247   1.967   0.807
  486    HA   GLN  65           HA       GLN  65  14.489   1.217   2.916
  487   1HB   GLN  65          HB2       GLN  65  17.117   0.176   1.821
  488   2HB   GLN  65          HB3       GLN  65  16.387  -0.568   3.246
  489   1HG   GLN  65          HG2       GLN  65  14.398  -1.185   2.047
  490   2HG   GLN  65          HG3       GLN  65  14.876  -0.254   0.623
  491   1HE2  GLN  65          HE21      GLN  65  16.980  -0.929  -0.413
  492   2HE2  GLN  65          HE22      GLN  65  17.346  -2.649  -0.494
  493    H    LYS  66           H        LYS  66  17.725   2.796   2.963
  494    HA   LYS  66           HA       LYS  66  18.058   2.719   5.799
  495   1HB   LYS  66          HB2       LYS  66  19.864   3.138   4.272
  496   2HB   LYS  66          HB3       LYS  66  19.066   4.553   3.600
  497   1HG   LYS  66          HG2       LYS  66  19.353   5.796   5.671
  498   2HG   LYS  66          HG3       LYS  66  20.034   4.359   6.462
  499   1HD   LYS  66          HD2       LYS  66  21.874   5.796   5.772
  500   2HD   LYS  66          HD3       LYS  66  21.864   4.316   4.805
  501   1HE   LYS  66          HE2       LYS  66  22.401   6.181   3.372
  502   2HE   LYS  66          HE3       LYS  66  20.852   5.488   2.914
  503   1HZ   LYS  66          HZ1       LYS  66  19.821   7.352   4.229
  504   2HZ   LYS  66          HZ2       LYS  66  21.311   8.037   4.328
  505   3HZ   LYS  66          HZ3       LYS  66  20.602   7.777   2.860
  506    H    GLN  67           H        GLN  67  16.344   5.086   3.635
  507    HA   GLN  67           HA       GLN  67  15.419   6.739   5.826
  508   1HB   GLN  67          HB2       GLN  67  14.127   6.283   3.096
  509   2HB   GLN  67          HB3       GLN  67  13.705   7.528   4.267
  510   1HG   GLN  67          HG2       GLN  67  16.121   8.368   4.094
  511   2HG   GLN  67          HG3       GLN  67  16.325   7.238   2.757
  512   1HE2  GLN  67          HE22      GLN  67  16.576   8.608   0.979
  513   2HE2  GLN  67          HE21      GLN  67  15.395   9.840   0.569
  514    H    GLY  68           H        GLY  68  14.283   3.703   4.462
  515   1HA   GLY  68          HA2       GLY  68  13.507   2.246   6.375
  516   2HA   GLY  68          HA3       GLY  68  12.224   3.429   6.610
  517    H    CYS  69           H        CYS  69  12.669   3.397   3.329
  518    HA   CYS  69           HA       CYS  69  10.054   2.400   2.866
  519   1HB   CYS  69          HB2       CYS  69  12.302   2.960   0.927
  520   2HB   CYS  69          HB3       CYS  69  10.583   2.976   0.542
  521    HG   CYS  69           HG       CYS  69  11.489   5.425   0.541
  522    H    ASP  70           H        ASP  70   9.773   1.039   0.761
  523    HA   ASP  70           HA       ASP  70  11.589  -1.271   0.490
  524   1HB   ASP  70          HB2       ASP  70   9.692  -2.132   1.800
  525   2HB   ASP  70          HB3       ASP  70   8.547  -1.393   0.674
  526    H    CYS  71           H        CYS  71  11.731  -1.830  -1.813
  527    HA   CYS  71           HA       CYS  71  10.373   0.024  -3.666
  528   1HB   CYS  71          HB2       CYS  71  13.418  -0.177  -3.468
  529   2HB   CYS  71          HB3       CYS  71  12.473   0.865  -4.542
  530    HG   CYS  71           HG       CYS  71  11.162   1.694  -2.121
  531    H    GLU  72           H        GLU  72  11.072  -0.334  -5.957
  532    HA   GLU  72           HA       GLU  72  12.291  -2.899  -6.683
  533   1HB   GLU  72          HB2       GLU  72   9.381  -2.196  -7.339
  534   2HB   GLU  72          HB3       GLU  72  10.308  -3.379  -8.240
  535   1HG   GLU  72          HG2       GLU  72   9.496  -3.577  -5.319
  536   2HG   GLU  72          HG3       GLU  72   8.793  -4.436  -6.676
  537    H    CYS  73           H        CYS  73  13.415  -2.511  -8.662
  538    HA   CYS  73           HA       CYS  73  13.053   0.046 -10.053
  539   1HB   CYS  73          HB2       CYS  73  14.627  -1.092 -11.738
  540   2HB   CYS  73          HB3       CYS  73  15.294  -0.693 -10.164
  541    HG   CYS  73           HG       CYS  73  13.961  -3.572 -11.094
  542    H    LEU  74           H        LEU  74  11.335   0.329 -11.417
  543    HA   LEU  74           HA       LEU  74   9.699  -1.956 -12.241
  544   1HB   LEU  74          HB2       LEU  74   9.557   0.991 -13.009
  545   2HB   LEU  74          HB3       LEU  74   8.368  -0.240 -13.405
  546    HG   LEU  74           HG       LEU  74   9.027   0.833 -10.641
  547   1HD1  LEU  74          HD11      LEU  74   6.682   1.585 -10.680
  548   2HD1  LEU  74          HD12      LEU  74   7.561   2.237 -12.067
  549   3HD1  LEU  74          HD13      LEU  74   6.458   0.864 -12.286
  550   1HD2  LEU  74          HD21      LEU  74   7.198  -1.492 -11.394
  551   2HD2  LEU  74          HD22      LEU  74   8.613  -1.538 -10.313
  552   3HD2  LEU  74          HD23      LEU  74   7.170  -0.665  -9.825
  553    H    GLY  75           H        GLY  75  12.327  -0.047 -13.580
  554   1HA   GLY  75          HA2       GLY  75  13.067  -1.834 -15.564
  555   2HA   GLY  75          HA3       GLY  75  11.986  -0.663 -16.342
  556    H    GLY  76           H        GLY  76  14.196  -0.227 -17.457
  557   1HA   GLY  76          HA2       GLY  76  15.031   2.331 -16.424
  558   2HA   GLY  76          HA3       GLY  76  16.349   1.156 -16.371
  559    H    GLY  77           H        GLY  77  17.331   2.660 -17.934
  560   1HA   GLY  77          HA2       GLY  77  17.170   2.037 -20.684
  561   2HA   GLY  77          HA3       GLY  77  16.119   3.429 -20.359
  562    H    ARG  78           H        ARG  78  17.572   4.790 -21.565
  563    HA   ARG  78           HA       ARG  78  20.128   5.492 -20.222
  564   1HB   ARG  78          HB2       ARG  78  20.470   3.790 -21.983
  565   2HB   ARG  78          HB3       ARG  78  19.637   4.824 -23.153
  566   1HG   ARG  78          HG2       ARG  78  21.476   6.491 -22.978
  567   2HG   ARG  78          HG3       ARG  78  22.288   5.453 -21.772
  568   1HD   ARG  78          HD2       ARG  78  22.411   3.623 -23.393
  569   2HD   ARG  78          HD3       ARG  78  21.515   4.589 -24.587
  570    HE   ARG  78           HE       ARG  78  23.898   5.941 -23.716
  571   1HH1  ARG  78          HH21      ARG  78  22.692   3.407 -25.936
  572   2HH1  ARG  78          HH22      ARG  78  24.081   3.487 -26.969
  573   1HH2  ARG  78          HH11      ARG  78  25.716   6.052 -25.144
  574   2HH2  ARG  78          HH12      ARG  78  25.800   5.041 -26.532
  575    H    ILE  79           H        ILE  79  20.907   7.605 -20.811
  576    HA   ILE  79           HA       ILE  79  18.846   9.481 -21.796
  577    HB   ILE  79           HB       ILE  79  20.347   9.457 -19.151
  578   1HG1  ILE  79          HG12      ILE  79  17.417   9.739 -19.936
  579   2HG1  ILE  79          HG13      ILE  79  18.164   8.325 -19.211
  580   1HG2  ILE  79          HG21      ILE  79  20.639  11.738 -20.111
  581   2HG2  ILE  79          HG22      ILE  79  18.888  11.843 -20.414
  582   3HG2  ILE  79          HG23      ILE  79  19.535  11.792 -18.758
  583   1HD1  ILE  79          HD11      ILE  79  16.901   9.426 -17.516
  584   2HD1  ILE  79          HD12      ILE  79  18.617   9.682 -17.139
  585   3HD1  ILE  79          HD13      ILE  79  17.642  10.992 -17.853
  586    H    SER  80           H        SER  80  19.675  11.094 -23.017
  587    HA   SER  80           HA       SER  80  22.599  11.449 -23.287
  588   1HB   SER  80          HB2       SER  80  20.736  10.836 -25.629
  589   2HB   SER  80          HB3       SER  80  22.480  11.128 -25.711
  590    HG   SER  80           HG       SER  80  22.008   8.920 -25.807
  591    H    HIS  81           H        HIS  81  23.068  13.374 -24.680
  592    HA   HIS  81           HA       HIS  81  20.886  15.078 -25.509
  593   1HB   HIS  81          HB2       HIS  81  21.767  17.091 -24.339
  594   2HB   HIS  81          HB3       HIS  81  21.042  15.907 -23.267
  595    HD1  HIS  81           HD1      HIS  81  24.755  15.622 -24.325
  596    HD2  HIS  81           HD2      HIS  81  22.284  16.672 -21.083
  597    HE1  HIS  81           HE1      HIS  81  26.298  15.956 -22.318
  598    H    GLN  82           H        GLN  82  21.658  16.546 -27.152
  599    HA   GLN  82           HA       GLN  82  24.500  16.494 -27.919
  600   1HB   GLN  82          HB2       GLN  82  22.205  15.292 -29.565
  601   2HB   GLN  82          HB3       GLN  82  23.692  15.865 -30.306
  602   1HG   GLN  82          HG2       GLN  82  23.569  13.614 -28.264
  603   2HG   GLN  82          HG3       GLN  82  23.639  13.421 -30.007
  604   1HE2  GLN  82          HE22      GLN  82  25.504  14.243 -27.149
  605   2HE2  GLN  82          HE21      GLN  82  27.069  14.304 -27.947
  606    H    SER  83           H        SER  83  24.996  18.431 -28.995
  607    HA   SER  83           HA       SER  83  23.084  20.508 -29.340
  608   1HB   SER  83          HB2       SER  83  25.702  20.144 -30.851
  609   2HB   SER  83          HB3       SER  83  24.891  21.666 -30.446
  610    HG   SER  83           HG       SER  83  25.356  21.282 -28.263
  611    H    GLN  84           H        GLN  84  23.859  17.730 -31.295
  612    HA   GLN  84           HA       GLN  84  22.789  18.558 -33.810
  613   1HB   GLN  84          HB2       GLN  84  22.865  15.755 -32.597
  614   2HB   GLN  84          HB3       GLN  84  22.725  16.171 -34.303
  615   1HG   GLN  84          HG2       GLN  84  25.016  17.201 -34.207
  616   2HG   GLN  84          HG3       GLN  84  25.168  16.660 -32.533
  617   1HE2  GLN  84          HE22      GLN  84  25.797  14.461 -32.124
  618   2HE2  GLN  84          HE21      GLN  84  26.021  13.315 -33.419
  619    H    ASP  85           H        ASP  85  21.224  17.828 -30.777
  620    HA   ASP  85           HA       ASP  85  18.591  17.341 -32.117
  621   1HB   ASP  85          HB2       ASP  85  19.518  15.311 -31.121
  622   2HB   ASP  85          HB3       ASP  85  19.740  16.144 -29.577
  623    H    LYS  86           H        LYS  86  20.322  18.911 -29.461
  624    HA   LYS  86           HA       LYS  86  20.021  20.811 -28.421
  625   1HB   LYS  86          HB2       LYS  86  17.619  21.424 -30.169
  626   2HB   LYS  86          HB3       LYS  86  18.594  22.559 -29.233
  627   1HG   LYS  86          HG2       LYS  86  20.606  21.879 -30.579
  628   2HG   LYS  86          HG3       LYS  86  19.539  20.907 -31.614
  629   1HD   LYS  86          HD2       LYS  86  18.219  23.028 -32.074
  630   2HD   LYS  86          HD3       LYS  86  19.503  23.928 -31.255
  631   1HE   LYS  86          HE2       LYS  86  19.766  22.175 -33.745
  632   2HE   LYS  86          HE3       LYS  86  19.820  23.938 -33.696
  633   1HZ   LYS  86          HZ1       LYS  86  22.026  23.049 -33.834
  634   2HZ   LYS  86          HZ2       LYS  86  21.869  23.746 -32.370
  635   3HZ   LYS  86          HZ3       LYS  86  21.835  22.104 -32.518
  636    H    LYS  87           H        LYS  87  18.384  18.301 -27.563
  637    HA   LYS  87           HA       LYS  87  17.627  19.616 -25.137
  638   1HB   LYS  87          HB2       LYS  87  15.415  18.764 -24.832
  639   2HB   LYS  87          HB3       LYS  87  15.438  19.844 -26.197
  640   1HG   LYS  87          HG2       LYS  87  15.529  16.818 -26.526
  641   2HG   LYS  87          HG3       LYS  87  14.021  17.711 -26.311
  642   1HD   LYS  87          HD2       LYS  87  14.619  19.133 -28.302
  643   2HD   LYS  87          HD3       LYS  87  16.008  18.084 -28.573
  644   1HE   LYS  87          HE2       LYS  87  13.086  17.239 -28.652
  645   2HE   LYS  87          HE3       LYS  87  14.135  17.532 -30.044
  646   1HZ   LYS  87          HZ1       LYS  87  14.131  15.228 -29.693
  647   2HZ   LYS  87          HZ2       LYS  87  15.593  15.737 -29.135
  648   3HZ   LYS  87          HZ3       LYS  87  14.392  15.347 -28.079
  649    H    ILE  88           H        ILE  88  16.833  17.738 -23.533
  650    HA   ILE  88           HA       ILE  88  18.870  15.611 -23.749
  651    HB   ILE  88           HB       ILE  88  16.854  16.282 -21.582
  652   1HG1  ILE  88          HG12      ILE  88  19.822  16.945 -21.608
  653   2HG1  ILE  88          HG13      ILE  88  18.534  18.103 -21.909
  654   1HG2  ILE  88          HG21      ILE  88  19.307  14.459 -21.447
  655   2HG2  ILE  88          HG22      ILE  88  18.198  14.809 -20.104
  656   3HG2  ILE  88          HG23      ILE  88  17.623  13.898 -21.472
  657   1HD1  ILE  88          HD11      ILE  88  19.068  16.675 -19.288
  658   2HD1  ILE  88          HD12      ILE  88  19.218  18.394 -19.657
  659   3HD1  ILE  88          HD13      ILE  88  17.609  17.645 -19.625
  660    H    HIS  89           H        HIS  89  18.142  13.333 -23.656
  661    HA   HIS  89           HA       HIS  89  15.346  12.845 -24.510
  662   1HB   HIS  89          HB2       HIS  89  16.966  13.120 -26.481
  663   2HB   HIS  89          HB3       HIS  89  17.765  11.653 -25.915
  664    HD1  HIS  89           HD1      HIS  89  14.223  12.790 -27.047
  665    HD2  HIS  89           HD2      HIS  89  16.770   9.439 -26.925
  666    HE1  HIS  89           HE1      HIS  89  13.034  10.925 -28.339
  667    H    VAL  90           H        VAL  90  14.606  10.764 -23.929
  668    HA   VAL  90           HA       VAL  90  16.361   9.105 -22.181
  669    HB   VAL  90           HB       VAL  90  13.386   9.625 -21.779
  670   1HG1  VAL  90          HG11      VAL  90  13.764   8.639 -19.575
  671   2HG1  VAL  90          HG12      VAL  90  14.331   7.532 -20.831
  672   3HG1  VAL  90          HG13      VAL  90  15.500   8.475 -19.902
  673   1HG2  VAL  90          HG21      VAL  90  14.381  11.787 -21.383
  674   2HG2  VAL  90          HG22      VAL  90  14.004  11.057 -19.824
  675   3HG2  VAL  90          HG23      VAL  90  15.682  11.079 -20.406
  676    H    TYR  91           H        TYR  91  16.427   6.956 -22.955
  677    HA   TYR  91           HA       TYR  91  14.250   5.904 -24.587
  678   1HB   TYR  91          HB2       TYR  91  15.267   5.957 -26.667
  679   2HB   TYR  91          HB3       TYR  91  15.523   7.554 -26.066
  680    HD1  TYR  91           HD1      TYR  91  16.983   5.373 -28.096
  681    HD2  TYR  91           HD2      TYR  91  17.989   7.466 -24.457
  682    HE1  TYR  91           HE1      TYR  91  19.386   5.164 -28.642
  683    HE2  TYR  91           HE2      TYR  91  20.378   7.242 -24.982
  684    HH   TYR  91           HH       TYR  91  21.569   5.651 -27.975
  685    H    GLY  92           H        GLY  92  15.372   3.832 -25.850
  686   1HA   GLY  92          HA2       GLY  92  16.499   1.826 -25.655
  687   2HA   GLY  92          HA3       GLY  92  17.484   2.528 -24.366
  688    H    TYR  93           H        TYR  93  17.300   0.456 -23.314
  689    HA   TYR  93           HA       TYR  93  14.985   0.199 -21.564
  690   1HB   TYR  93          HB2       TYR  93  14.703  -2.189 -22.095
  691   2HB   TYR  93          HB3       TYR  93  14.324  -1.194 -23.488
  692    HD1  TYR  93           HD1      TYR  93  15.961  -1.080 -25.436
  693    HD2  TYR  93           HD2      TYR  93  16.430  -3.860 -22.166
  694    HE1  TYR  93           HE1      TYR  93  17.540  -2.403 -26.795
  695    HE2  TYR  93           HE2      TYR  93  18.014  -5.190 -23.517
  696    HH   TYR  93           HH       TYR  93  18.918  -4.287 -26.879
  697    H    SER  94           H        SER  94  15.585  -1.126 -19.648
  698    HA   SER  94           HA       SER  94  18.395  -0.963 -19.066
  699   1HB   SER  94          HB2       SER  94  16.987  -0.708 -17.215
  700   2HB   SER  94          HB3       SER  94  16.073  -2.187 -17.572
  701    HG   SER  94           HG       SER  94  17.888  -2.142 -15.881
  702    H    MET  95           H        MET  95  19.943  -2.397 -19.391
  703    HA   MET  95           HA       MET  95  19.649  -4.815 -20.847
  704   1HB   MET  95          HB2       MET  95  21.714  -3.409 -20.581
  705   2HB   MET  95          HB3       MET  95  21.868  -3.993 -18.918
  706   1HG   MET  95          HG2       MET  95  22.150  -6.296 -19.745
  707   2HG   MET  95          HG3       MET  95  21.881  -5.750 -21.405
  708   1HE   MET  95          HE1       MET  95  24.329  -7.562 -20.493
  709   2HE   MET  95          HE2       MET  95  24.067  -7.018 -22.166
  710   3HE   MET  95          HE3       MET  95  25.655  -6.802 -21.399
  711    H    ALA  96           H        ALA  96  19.009  -4.135 -17.462
  712    HA   ALA  96           HA       ALA  96  19.115  -7.047 -16.785
  713   1HB   ALA  96          HB1       ALA  96  20.705  -5.619 -15.546
  714   2HB   ALA  96          HB2       ALA  96  19.357  -4.595 -14.992
  715   3HB   ALA  96          HB3       ALA  96  19.457  -6.290 -14.478
  716    H    TYR  97           H        TYR  97  17.019  -4.200 -16.893
  717    HA   TYR  97           HA       TYR  97  14.850  -5.747 -15.541
  718   1HB   TYR  97          HB2       TYR  97  15.327  -2.764 -15.345
  719   2HB   TYR  97          HB3       TYR  97  14.204  -3.732 -14.406
  720    HD1  TYR  97           HD1      TYR  97  15.733  -5.970 -13.369
  721    HD2  TYR  97           HD2      TYR  97  16.920  -1.849 -13.873
  722    HE1  TYR  97           HE1      TYR  97  17.426  -6.250 -11.599
  723    HE2  TYR  97           HE2      TYR  97  18.619  -2.122 -12.095
  724    HH   TYR  97           HH       TYR  97  19.101  -5.240 -10.360
  725    H    GLY  98           H        GLY  98  15.589  -4.518 -18.577
  726   1HA   GLY  98          HA2       GLY  98  14.217  -4.280 -20.405
  727   2HA   GLY  98          HA3       GLY  98  12.810  -4.620 -19.393
  728    HA   PRO  99           HA       PRO  99  13.115  -0.108 -20.655
  729   1HB   PRO  99          HB2       PRO  99  10.719   0.192 -21.964
  730   2HB   PRO  99          HB3       PRO  99  12.204  -0.423 -22.745
  731   1HG   PRO  99          HG2       PRO  99   9.887  -2.016 -21.621
  732   2HG   PRO  99          HG3       PRO  99  10.734  -2.240 -23.183
  733   1HD   PRO  99          HD2       PRO  99  11.301  -3.745 -20.966
  734   2HD   PRO  99          HD3       PRO  99  12.566  -3.288 -22.144
  735    H    ALA 100           H        ALA 100  12.608   1.396 -19.209
  736    HA   ALA 100           HA       ALA 100  10.499   1.057 -17.202
  737   1HB   ALA 100          HB1       ALA 100  11.239   3.389 -16.595
  738   2HB   ALA 100          HB2       ALA 100  12.586   2.259 -16.639
  739   3HB   ALA 100          HB3       ALA 100  12.316   3.363 -18.004
  740    H    GLN 101           H        GLN 101   8.901   2.882 -16.925
  741    HA   GLN 101           HA       GLN 101   7.560   3.641 -19.441
  742   1HB   GLN 101          HB2       GLN 101   6.921   4.163 -16.499
  743   2HB   GLN 101          HB3       GLN 101   5.987   4.813 -17.855
  744   1HG   GLN 101          HG2       GLN 101   5.531   2.514 -18.656
  745   2HG   GLN 101          HG3       GLN 101   6.376   1.858 -17.243
  746   1HE2  GLN 101          HE22      GLN 101   5.494   2.718 -15.026
  747   2HE2  GLN 101          HE21      GLN 101   3.763   2.900 -14.907
  748    H    HIS 102           H        HIS 102   9.555   4.795 -20.202
  749    HA   HIS 102           HA       HIS 102  10.729   6.934 -18.848
  750   1HB   HIS 102          HB2       HIS 102  10.376   6.671 -21.842
  751   2HB   HIS 102          HB3       HIS 102  11.595   7.638 -21.022
  752    HD1  HIS 102           HD1      HIS 102  11.189   4.219 -22.443
  753    HD2  HIS 102           HD2      HIS 102  13.176   6.007 -19.197
  754    HE1  HIS 102           HE1      HIS 102  12.920   2.536 -21.615
  755    H    ALA 103           H        ALA 103   7.548   6.922 -20.240
  756    HA   ALA 103           HA       ALA 103   7.104   9.685 -20.642
  757   1HB   ALA 103          HB1       ALA 103   5.484   7.958 -21.268
  758   2HB   ALA 103          HB2       ALA 103   5.253   7.513 -19.556
  759   3HB   ALA 103          HB3       ALA 103   4.742   9.110 -20.146
  760    H    ILE 104           H        ILE 104   7.414   7.766 -17.641
  761    HA   ILE 104           HA       ILE 104   6.446   9.791 -15.822
  762    HB   ILE 104           HB       ILE 104   8.362   7.451 -15.455
  763   1HG1  ILE 104          HG12      ILE 104   6.101   6.722 -16.167
  764   2HG1  ILE 104          HG13      ILE 104   6.494   6.194 -14.543
  765   1HG2  ILE 104          HG21      ILE 104   8.779   8.923 -13.632
  766   2HG2  ILE 104          HG22      ILE 104   7.047   9.194 -13.350
  767   3HG2  ILE 104          HG23      ILE 104   7.781   7.606 -13.013
  768   1HD1  ILE 104          HD11      ILE 104   5.076   7.915 -13.566
  769   2HD1  ILE 104          HD12      ILE 104   4.745   8.619 -15.171
  770   3HD1  ILE 104          HD13      ILE 104   4.164   6.986 -14.765
  771    H    SER 105           H        SER 105   9.697   8.899 -17.138
  772    HA   SER 105           HA       SER 105  11.191  10.771 -15.692
  773   1HB   SER 105          HB2       SER 105  11.701   9.862 -18.547
  774   2HB   SER 105          HB3       SER 105  12.866  10.408 -17.352
  775    HG   SER 105           HG       SER 105  12.818   8.146 -17.406
  776    H    THR 106           H        THR 106   9.726  11.107 -19.010
  777    HA   THR 106           HA       THR 106  10.538  13.801 -19.260
  778    HB   THR 106           HB       THR 106   8.636  13.906 -20.989
  779    HG1  THR 106           HG1      THR 106   7.697  12.005 -21.513
  780   1HG2  THR 106          HG21      THR 106   9.912  12.483 -22.570
  781   2HG2  THR 106          HG22      THR 106  10.972  13.510 -21.600
  782   3HG2  THR 106          HG23      THR 106  10.820  11.782 -21.209
  783    H    GLU 107           H        GLU 107   7.412  12.497 -17.974
  784    HA   GLU 107           HA       GLU 107   6.235  15.015 -17.523
  785   1HB   GLU 107          HB2       GLU 107   5.888  12.287 -16.202
  786   2HB   GLU 107          HB3       GLU 107   5.044  13.711 -15.592
  787   1HG   GLU 107          HG2       GLU 107   4.047  14.139 -17.799
  788   2HG   GLU 107          HG3       GLU 107   4.882  12.748 -18.477
  789    H    LYS 108           H        LYS 108   8.228  13.064 -15.210
  790    HA   LYS 108           HA       LYS 108   7.983  15.062 -13.153
  791   1HB   LYS 108          HB2       LYS 108   9.917  12.723 -13.484
  792   2HB   LYS 108          HB3       LYS 108   9.803  13.766 -12.056
  793   1HG   LYS 108          HG2       LYS 108   7.493  13.146 -11.677
  794   2HG   LYS 108          HG3       LYS 108   7.522  12.045 -13.066
  795   1HD   LYS 108          HD2       LYS 108   9.253  10.679 -12.037
  796   2HD   LYS 108          HD3       LYS 108   9.460  11.817 -10.707
  797   1HE   LYS 108          HE2       LYS 108   6.905  10.247 -11.276
  798   2HE   LYS 108          HE3       LYS 108   8.139   9.792 -10.090
  799   1HZ   LYS 108          HZ1       LYS 108   6.324  11.001  -9.050
  800   2HZ   LYS 108          HZ2       LYS 108   7.727  11.853  -8.913
  801   3HZ   LYS 108          HZ3       LYS 108   6.590  12.311  -9.994
  802    H    ILE 109           H        ILE 109  10.632  14.357 -15.515
  803    HA   ILE 109           HA       ILE 109  12.404  16.313 -14.389
  804    HB   ILE 109           HB       ILE 109  12.276  14.994 -17.110
  805   1HG1  ILE 109          HG12      ILE 109  14.336  14.589 -14.889
  806   2HG1  ILE 109          HG13      ILE 109  12.861  13.627 -14.986
  807   1HG2  ILE 109          HG21      ILE 109  14.556  16.705 -16.042
  808   2HG2  ILE 109          HG22      ILE 109  14.551  15.828 -17.564
  809   3HG2  ILE 109          HG23      ILE 109  13.459  17.185 -17.352
  810   1HD1  ILE 109          HD11      ILE 109  15.077  13.714 -17.071
  811   2HD1  ILE 109          HD12      ILE 109  14.657  12.381 -15.994
  812   3HD1  ILE 109          HD13      ILE 109  13.531  12.862 -17.278
  813    H    LYS 110           H        LYS 110   9.869  16.561 -17.039
  814    HA   LYS 110           HA       LYS 110  10.542  19.302 -17.574
  815   1HB   LYS 110          HB2       LYS 110   7.972  17.722 -17.990
  816   2HB   LYS 110          HB3       LYS 110   8.136  19.424 -18.441
  817   1HG   LYS 110          HG2       LYS 110  10.013  18.943 -19.920
  818   2HG   LYS 110          HG3       LYS 110   9.992  17.240 -19.445
  819   1HD   LYS 110          HD2       LYS 110   7.746  16.959 -20.421
  820   2HD   LYS 110          HD3       LYS 110   7.722  18.682 -20.873
  821   1HE   LYS 110          HE2       LYS 110   9.774  18.321 -22.260
  822   2HE   LYS 110          HE3       LYS 110   9.754  16.607 -21.842
  823   1HZ   LYS 110          HZ1       LYS 110   7.646  18.027 -23.374
  824   2HZ   LYS 110          HZ2       LYS 110   8.754  16.995 -23.982
  825   3HZ   LYS 110          HZ3       LYS 110   7.595  16.442 -22.974
  826    H    ALA 111           H        ALA 111   8.289  17.831 -15.174
  827    HA   ALA 111           HA       ALA 111   7.216  20.293 -14.261
  828   1HB   ALA 111          HB1       ALA 111   6.225  18.107 -13.722
  829   2HB   ALA 111          HB2       ALA 111   7.640  17.685 -12.732
  830   3HB   ALA 111          HB3       ALA 111   6.581  19.023 -12.245
  831    H    LYS 112           H        LYS 112  10.107  18.444 -13.102
  832    HA   LYS 112           HA       LYS 112  10.670  20.448 -11.052
  833   1HB   LYS 112          HB2       LYS 112  11.976  17.870 -11.974
  834   2HB   LYS 112          HB3       LYS 112  12.901  19.011 -11.006
  835   1HG   LYS 112          HG2       LYS 112  11.948  17.459  -9.489
  836   2HG   LYS 112          HG3       LYS 112  11.158  19.015  -9.257
  837   1HD   LYS 112          HD2       LYS 112   9.208  18.126 -10.651
  838   2HD   LYS 112          HD3       LYS 112  10.023  16.547 -10.643
  839   1HE   LYS 112          HE2       LYS 112  10.020  16.702  -8.097
  840   2HE   LYS 112          HE3       LYS 112   9.057  18.176  -8.245
  841   1HZ   LYS 112          HZ1       LYS 112   7.600  16.347  -7.893
  842   2HZ   LYS 112          HZ2       LYS 112   7.382  16.786  -9.448
  843   3HZ   LYS 112          HZ3       LYS 112   8.273  15.441  -9.072
  844    H    TYR 113           H        TYR 113  11.658  19.985 -14.356
  845    HA   TYR 113           HA       TYR 113  13.211  20.763 -15.671
  846   1HB   TYR 113          HB2       TYR 113  11.535  22.717 -15.281
  847   2HB   TYR 113          HB3       TYR 113  12.887  23.530 -14.524
  848    HD1  TYR 113           HD1      TYR 113  14.920  24.115 -15.938
  849    HD2  TYR 113           HD2      TYR 113  11.421  22.242 -17.636
  850    HE1  TYR 113           HE1      TYR 113  15.700  24.720 -18.209
  851    HE2  TYR 113           HE2      TYR 113  12.181  22.858 -19.905
  852    HH   TYR 113           HH       TYR 113  13.806  23.960 -21.169
  853    HA   PRO 114           HA       PRO 114  16.313  20.659 -12.196
  854   1HB   PRO 114          HB2       PRO 114  17.583  18.283 -12.727
  855   2HB   PRO 114          HB3       PRO 114  16.022  18.386 -11.856
  856   1HG   PRO 114          HG2       PRO 114  16.470  17.850 -14.806
  857   2HG   PRO 114          HG3       PRO 114  15.442  16.934 -13.657
  858   1HD   PRO 114          HD2       PRO 114  14.400  18.845 -15.291
  859   2HD   PRO 114          HD3       PRO 114  13.810  18.627 -13.616
  860    H    ASP 115           H        ASP 115  16.700  20.402 -15.684
  861    HA   ASP 115           HA       ASP 115  19.034  22.136 -15.518
  862   1HB   ASP 115          HB2       ASP 115  20.165  19.950 -15.393
  863   2HB   ASP 115          HB3       ASP 115  19.327  19.414 -16.851
  864    H    TYR 116           H        TYR 116  17.087  20.049 -17.795
  865    HA   TYR 116           HA       TYR 116  16.387  22.394 -19.353
  866   1HB   TYR 116          HB2       TYR 116  18.742  21.570 -20.133
  867   2HB   TYR 116          HB3       TYR 116  17.881  20.196 -20.808
  868    HD1  TYR 116           HD1      TYR 116  18.016  23.944 -20.775
  869    HD2  TYR 116           HD2      TYR 116  16.832  20.424 -22.967
  870    HE1  TYR 116           HE1      TYR 116  17.446  25.360 -22.721
  871    HE2  TYR 116           HE2      TYR 116  16.237  21.837 -24.917
  872    HH   TYR 116           HH       TYR 116  16.615  25.411 -24.898
  873    H    GLU 117           H        GLU 117  15.152  21.551 -21.385
  874    HA   GLU 117           HA       GLU 117  12.958  19.879 -20.591
  875   1HB   GLU 117          HB2       GLU 117  12.850  21.818 -22.149
  876   2HB   GLU 117          HB3       GLU 117  13.818  20.929 -23.329
  877   1HG   GLU 117          HG2       GLU 117  12.028  19.301 -23.635
  878   2HG   GLU 117          HG3       GLU 117  11.119  19.990 -22.284
  879    H    VAL 118           H        VAL 118  12.302  17.926 -21.773
  880    HA   VAL 118           HA       VAL 118  14.494  16.190 -22.707
  881    HB   VAL 118           HB       VAL 118  13.107  14.367 -21.393
  882   1HG1  VAL 118          HG11      VAL 118  14.601  14.542 -19.469
  883   2HG1  VAL 118          HG12      VAL 118  15.424  14.722 -21.007
  884   3HG1  VAL 118          HG13      VAL 118  15.100  16.169 -20.007
  885   1HG2  VAL 118          HG21      VAL 118  11.349  15.847 -20.556
  886   2HG2  VAL 118          HG22      VAL 118  12.251  15.051 -19.264
  887   3HG2  VAL 118          HG23      VAL 118  12.553  16.760 -19.600
  888    H    THR 119           H        THR 119  13.648  14.241 -23.777
  889    HA   THR 119           HA       THR 119  10.861  14.208 -24.668
  890    HB   THR 119           HB       THR 119  11.813  13.619 -27.027
  891    HG1  THR 119           HG1      THR 119  13.992  14.981 -25.822
  892   1HG2  THR 119          HG21      THR 119  10.448  15.625 -26.536
  893   2HG2  THR 119          HG22      THR 119  11.933  16.531 -26.167
  894   3HG2  THR 119          HG23      THR 119  11.649  15.885 -27.804
  895    H    TRP 120           H        TRP 120  10.602  11.891 -25.867
  896    HA   TRP 120           HA       TRP 120  12.668  10.053 -24.997
  897   1HB   TRP 120          HB2       TRP 120  11.329   8.548 -23.766
  898   2HB   TRP 120          HB3       TRP 120  11.051  10.118 -23.057
  899    HD1  TRP 120           HD1      TRP 120   8.612  11.268 -24.208
  900    HE1  TRP 120           HE1      TRP 120   6.324  10.136 -24.181
  901    HE3  TRP 120           HE3      TRP 120  10.149   6.392 -24.099
  902    HZ2  TRP 120           HZ2      TRP 120   5.278   7.430 -24.057
  903    HZ3  TRP 120           HZ3      TRP 120   8.488   4.559 -23.971
  904    HH2  TRP 120           HH2      TRP 120   6.054   5.063 -23.952
  905    H    ALA 121           H        ALA 121  12.284   7.819 -25.745
  906    HA   ALA 121           HA       ALA 121  10.372   7.478 -27.916
  907   1HB   ALA 121          HB1       ALA 121  12.112   6.482 -29.424
  908   2HB   ALA 121          HB2       ALA 121  12.409   8.213 -29.146
  909   3HB   ALA 121          HB3       ALA 121  13.379   6.989 -28.290
  910    H    ASN 122           H        ASN 122   9.779   5.288 -28.077
  911    HA   ASN 122           HA       ASN 122  10.383   3.720 -25.672
  912   1HB   ASN 122          HB2       ASN 122   8.044   4.226 -26.453
  913   2HB   ASN 122          HB3       ASN 122   8.348   3.221 -27.873
  914   1HD2  ASN 122          HD22      ASN 122   6.822   1.558 -27.367
  915   2HD2  ASN 122          HD21      ASN 122   6.978   0.534 -25.964
  916    H    ASP 123           H        ASP 123  12.554   3.870 -27.545
  917    HA   ASP 123           HA       ASP 123  13.113   1.072 -27.976
  918   1HB   ASP 123          HB2       ASP 123  11.904   2.059 -30.153
  919   2HB   ASP 123          HB3       ASP 123  13.486   2.813 -30.404
  920    H    GLY 124           H        GLY 124  15.465   1.095 -29.041
  921   1HA   GLY 124          HA2       GLY 124  17.386   2.837 -29.270
  922   2HA   GLY 124          HA3       GLY 124  17.087   3.117 -27.552
  923    H    TYR 125           H        TYR 125  19.417   2.492 -27.450
  924    HA   TYR 125           HA       TYR 125  19.722  -0.350 -26.807
  925   1HB   TYR 125          HB2       TYR 125  21.617   1.174 -28.653
  926   2HB   TYR 125          HB3       TYR 125  21.930  -0.400 -27.946
  927    HD1  TYR 125           HD1      TYR 125  20.299   1.386 -30.671
  928    HD2  TYR 125           HD2      TYR 125  20.509  -2.394 -28.603
  929    HE1  TYR 125           HE1      TYR 125  19.205   0.277 -32.599
  930    HE2  TYR 125           HE2      TYR 125  19.419  -3.516 -30.522
  931    HH   TYR 125           HH       TYR 125  18.497  -3.250 -32.646
  Start of MODEL    8
    1   1H    MET   1          H1        MET   1  15.385  13.420  15.291
    2   2H    MET   1          H2        MET   1  14.404  14.403  14.423
    3   3H    MET   1          H3        MET   1  13.949  13.914  15.914
    4    HA   MET   1           HA       MET   1  14.276  12.190  13.563
    5   1HB   MET   1          HB2       MET   1  14.859  11.030  15.677
    6   2HB   MET   1          HB3       MET   1  13.284  11.457  16.356
    7   1HG   MET   1          HG2       MET   1  12.170  10.141  14.560
    8   2HG   MET   1          HG3       MET   1  13.755   9.725  13.893
    9   1HE   MET   1          HE1       MET   1  13.020   7.151  13.927
   10   2HE   MET   1          HE2       MET   1  12.375   6.340  15.370
   11   3HE   MET   1          HE3       MET   1  11.445   7.643  14.596
   12    H    ALA   2           H        ALA   2  12.542  12.168  12.204
   13    HA   ALA   2           HA       ALA   2   9.832  12.462  13.226
   14   1HB   ALA   2          HB1       ALA   2   9.229  14.176  11.529
   15   2HB   ALA   2          HB2       ALA   2  10.397  14.824  12.696
   16   3HB   ALA   2          HB3       ALA   2  10.937  14.336  11.071
   17    H    VAL   3           H        VAL   3   8.335  11.537  11.702
   18    HA   VAL   3           HA       VAL   3   9.485   9.539   9.909
   19    HB   VAL   3           HB       VAL   3   6.582  10.326  10.444
   20   1HG1  VAL   3          HG11      VAL   3   6.043   8.082   9.567
   21   2HG1  VAL   3          HG12      VAL   3   6.827   9.061   8.338
   22   3HG1  VAL   3          HG13      VAL   3   7.755   7.805   9.183
   23   1HG2  VAL   3          HG21      VAL   3   8.282   8.113  11.688
   24   2HG2  VAL   3          HG22      VAL   3   7.620   9.529  12.530
   25   3HG2  VAL   3          HG23      VAL   3   6.530   8.301  11.896
   26    H    ALA   4           H        ALA   4  10.107  10.071   7.866
   27    HA   ALA   4           HA       ALA   4   9.309  12.553   6.570
   28   1HB   ALA   4          HB1       ALA   4  10.716  11.789   4.736
   29   2HB   ALA   4          HB2       ALA   4  11.564  11.534   6.265
   30   3HB   ALA   4          HB3       ALA   4  10.812  10.161   5.424
   31    H    ASP   5           H        ASP   5   8.728  11.965   3.972
   32    HA   ASP   5           HA       ASP   5   6.411  10.141   3.893
   33   1HB   ASP   5          HB2       ASP   5   5.465  12.248   4.756
   34   2HB   ASP   5          HB3       ASP   5   6.240  13.156   3.456
   35    H    LEU   6           H        LEU   6   5.750   9.758   1.693
   36    HA   LEU   6           HA       LEU   6   7.814   9.392  -0.142
   37   1HB   LEU   6          HB2       LEU   6   4.798   9.608  -0.509
   38   2HB   LEU   6          HB3       LEU   6   5.900   9.120  -1.775
   39    HG   LEU   6           HG       LEU   6   5.468   7.581   0.800
   40   1HD1  LEU   6          HD11      LEU   6   3.507   7.379  -0.506
   41   2HD1  LEU   6          HD12      LEU   6   4.380   7.300  -2.032
   42   3HD1  LEU   6          HD13      LEU   6   4.453   5.936  -0.917
   43   1HD2  LEU   6          HD21      LEU   6   7.734   7.168  -0.010
   44   2HD2  LEU   6          HD22      LEU   6   6.729   5.768  -0.344
   45   3HD2  LEU   6          HD23      LEU   6   7.133   6.877  -1.660
   46    H    ALA   7           H        ALA   7   5.771  12.299   0.250
   47    HA   ALA   7           HA       ALA   7   6.476  13.407  -2.295
   48   1HB   ALA   7          HB1       ALA   7   4.413  14.022  -1.077
   49   2HB   ALA   7          HB2       ALA   7   5.398  14.756   0.214
   50   3HB   ALA   7          HB3       ALA   7   5.415  15.445  -1.421
   51    H    LEU   8           H        LEU   8   8.096  13.273   0.811
   52    HA   LEU   8           HA       LEU   8   9.729  15.685   0.347
   53   1HB   LEU   8          HB2       LEU   8   9.838  13.588   2.554
   54   2HB   LEU   8          HB3       LEU   8  10.762  15.082   2.511
   55    HG   LEU   8           HG       LEU   8   7.725  14.896   2.705
   56   1HD1  LEU   8          HD11      LEU   8   9.812  15.703   4.773
   57   2HD1  LEU   8          HD12      LEU   8   8.048  15.721   4.997
   58   3HD1  LEU   8          HD13      LEU   8   8.890  14.186   4.757
   59   1HD2  LEU   8          HD21      LEU   8   8.324  16.958   1.534
   60   2HD2  LEU   8          HD22      LEU   8   7.826  17.341   3.181
   61   3HD2  LEU   8          HD23      LEU   8   9.554  17.337   2.762
   62    H    ILE   9           H        ILE   9   9.872  12.290  -0.326
   63    HA   ILE   9           HA       ILE   9  12.637  11.787  -0.342
   64    HB   ILE   9           HB       ILE   9  10.314  10.720  -2.002
   65   1HG1  ILE   9          HG12      ILE   9  11.885   9.667   0.402
   66   2HG1  ILE   9          HG13      ILE   9  10.228  10.290   0.424
   67   1HG2  ILE   9          HG21      ILE   9  12.317  10.343  -3.342
   68   2HG2  ILE   9          HG22      ILE   9  13.147   9.676  -1.923
   69   3HG2  ILE   9          HG23      ILE   9  11.772   8.824  -2.656
   70   1HD1  ILE   9          HD11      ILE   9  10.022   7.957   0.536
   71   2HD1  ILE   9          HD12      ILE   9   9.620   8.369  -1.149
   72   3HD1  ILE   9          HD13      ILE   9  11.217   7.690  -0.736
   73    HA   PRO  10           HA       PRO  10  13.980  14.389  -3.826
   74   1HB   PRO  10          HB2       PRO  10  16.168  12.364  -4.158
   75   2HB   PRO  10          HB3       PRO  10  16.269  14.135  -4.009
   76   1HG   PRO  10          HG2       PRO  10  16.915  12.485  -1.928
   77   2HG   PRO  10          HG3       PRO  10  16.075  14.046  -1.663
   78   1HD   PRO  10          HD2       PRO  10  14.886  11.267  -1.746
   79   2HD   PRO  10          HD3       PRO  10  14.566  12.615  -0.609
   80    H    ASP  11           H        ASP  11  12.356  14.053  -5.231
   81    HA   ASP  11           HA       ASP  11  11.491  11.583  -6.235
   82   1HB   ASP  11          HB2       ASP  11  10.235  13.769  -5.877
   83   2HB   ASP  11          HB3       ASP  11  10.947  14.341  -7.385
   84    H    VAL  12           H        VAL  12  13.696  13.970  -7.591
   85    HA   VAL  12           HA       VAL  12  14.404  12.182  -9.824
   86    HB   VAL  12           HB       VAL  12  13.842  15.174 -10.125
   87   1HG1  VAL  12          HG11      VAL  12  14.639  13.087 -12.210
   88   2HG1  VAL  12          HG12      VAL  12  14.244  14.793 -12.527
   89   3HG1  VAL  12          HG13      VAL  12  15.675  14.389 -11.583
   90   1HG2  VAL  12          HG21      VAL  12  12.036  14.542 -11.682
   91   2HG2  VAL  12          HG22      VAL  12  12.246  12.832 -11.227
   92   3HG2  VAL  12          HG23      VAL  12  11.692  14.026 -10.034
   93    H    ASP  13           H        ASP  13  16.614  11.999  -9.769
   94    HA   ASP  13           HA       ASP  13  18.234  14.368  -9.281
   95   1HB   ASP  13          HB2       ASP  13  18.079  13.593  -6.967
   96   2HB   ASP  13          HB3       ASP  13  18.543  11.961  -7.447
   97    H    ILE  14           H        ILE  14  19.368  14.298 -11.125
   98    HA   ILE  14           HA       ILE  14  20.498  11.758 -12.101
   99    HB   ILE  14           HB       ILE  14  19.735  12.374 -14.407
  100   1HG1  ILE  14          HG12      ILE  14  17.670  14.180 -13.068
  101   2HG1  ILE  14          HG13      ILE  14  19.135  14.790 -13.828
  102   1HG2  ILE  14          HG21      ILE  14  17.435  11.777 -12.494
  103   2HG2  ILE  14          HG22      ILE  14  17.546  11.334 -14.213
  104   3HG2  ILE  14          HG23      ILE  14  18.643  10.603 -13.049
  105   1HD1  ILE  14          HD11      ILE  14  16.914  13.260 -15.232
  106   2HD1  ILE  14          HD12      ILE  14  17.288  14.982 -15.378
  107   3HD1  ILE  14          HD13      ILE  14  18.436  13.780 -15.994
  108    H    ASP  15           H        ASP  15  22.286  12.097 -13.561
  109    HA   ASP  15           HA       ASP  15  23.938  14.241 -12.668
  110   1HB   ASP  15          HB2       ASP  15  24.804  12.062 -13.384
  111   2HB   ASP  15          HB3       ASP  15  24.322  12.399 -15.052
  112    H    SER  16           H        SER  16  21.973  13.887 -15.576
  113    HA   SER  16           HA       SER  16  21.457  15.176 -17.337
  114   1HB   SER  16          HB2       SER  16  22.027  17.480 -15.440
  115   2HB   SER  16          HB3       SER  16  21.110  17.575 -16.950
  116    HG   SER  16           HG       SER  16  19.802  17.308 -15.057
  117    H    ASP  17           H        ASP  17  22.233  17.286 -18.668
  118    HA   ASP  17           HA       ASP  17  23.724  18.026 -20.186
  119   1HB   ASP  17          HB2       ASP  17  23.971  19.447 -18.208
  120   2HB   ASP  17          HB3       ASP  17  25.287  18.430 -17.621
  121    H    GLY  18           H        GLY  18  23.863  15.286 -20.397
  122   1HA   GLY  18          HA2       GLY  18  26.421  14.704 -21.495
  123   2HA   GLY  18          HA3       GLY  18  26.338  14.104 -19.830
  124    H    VAL  19           H        VAL  19  26.514  11.952 -20.702
  125    HA   VAL  19           HA       VAL  19  23.953  10.831 -21.659
  126    HB   VAL  19           HB       VAL  19  26.705  10.114 -22.765
  127   1HG1  VAL  19          HG11      VAL  19  23.911   9.141 -23.489
  128   2HG1  VAL  19          HG12      VAL  19  25.385   8.767 -24.407
  129   3HG1  VAL  19          HG13      VAL  19  25.206   8.187 -22.746
  130   1HG2  VAL  19          HG21      VAL  19  26.055  12.283 -23.707
  131   2HG2  VAL  19          HG22      VAL  19  25.914  11.025 -24.930
  132   3HG2  VAL  19          HG23      VAL  19  24.455  11.645 -24.138
  133    H    PHE  20           H        PHE  20  23.370   9.090 -20.413
  134    HA   PHE  20           HA       PHE  20  25.270   7.457 -18.938
  135   1HB   PHE  20          HB2       PHE  20  24.236   8.072 -16.713
  136   2HB   PHE  20          HB3       PHE  20  25.332   9.247 -17.388
  137    HD1  PHE  20           HD1      PHE  20  21.827   8.631 -16.432
  138    HD2  PHE  20           HD2      PHE  20  24.549  11.426 -18.261
  139    HE1  PHE  20           HE1      PHE  20  20.140  10.427 -16.198
  140    HE2  PHE  20           HE2      PHE  20  22.835  13.198 -18.101
  141    HZ   PHE  20           HZ       PHE  20  20.621  12.710 -17.057
  142    H    LYS  21           H        LYS  21  23.962   5.907 -17.471
  143    HA   LYS  21           HA       LYS  21  21.431   5.148 -18.844
  144   1HB   LYS  21          HB2       LYS  21  23.161   3.564 -16.888
  145   2HB   LYS  21          HB3       LYS  21  21.614   3.061 -17.540
  146   1HG   LYS  21          HG2       LYS  21  22.885   1.960 -19.028
  147   2HG   LYS  21          HG3       LYS  21  22.812   3.489 -19.905
  148   1HD   LYS  21          HD2       LYS  21  25.051   4.109 -18.956
  149   2HD   LYS  21          HD3       LYS  21  25.026   2.615 -18.002
  150   1HE   LYS  21          HE2       LYS  21  24.700   1.433 -20.333
  151   2HE   LYS  21          HE3       LYS  21  25.300   2.953 -21.006
  152   1HZ   LYS  21          HZ1       LYS  21  27.114   1.434 -20.672
  153   2HZ   LYS  21          HZ2       LYS  21  27.310   2.618 -19.545
  154   3HZ   LYS  21          HZ3       LYS  21  26.699   1.162 -19.109
  155    H    TYR  22           H        TYR  22  19.598   4.592 -17.445
  156    HA   TYR  22           HA       TYR  22  19.644   5.797 -14.754
  157   1HB   TYR  22          HB2       TYR  22  18.325   7.535 -15.215
  158   2HB   TYR  22          HB3       TYR  22  18.748   7.305 -16.890
  159    HD1  TYR  22           HD1      TYR  22  16.099   7.529 -14.530
  160    HD2  TYR  22           HD2      TYR  22  17.224   5.558 -18.190
  161    HE1  TYR  22           HE1      TYR  22  13.730   6.925 -14.921
  162    HE2  TYR  22           HE2      TYR  22  14.875   4.882 -18.551
  163    HH   TYR  22           HH       TYR  22  12.228   5.905 -16.350
  164    H    VAL  23           H        VAL  23  17.417   5.351 -13.689
  165    HA   VAL  23           HA       VAL  23  16.108   2.905 -14.607
  166    HB   VAL  23           HB       VAL  23  18.088   2.254 -13.186
  167   1HG1  VAL  23          HG11      VAL  23  17.990   2.539 -10.754
  168   2HG1  VAL  23          HG12      VAL  23  18.071   4.113 -11.571
  169   3HG1  VAL  23          HG13      VAL  23  16.541   3.547 -10.908
  170   1HG2  VAL  23          HG21      VAL  23  15.377   1.449 -12.091
  171   2HG2  VAL  23          HG22      VAL  23  16.252   0.714 -13.451
  172   3HG2  VAL  23          HG23      VAL  23  16.920   0.609 -11.821
  173    H    LEU  24           H        LEU  24  14.017   2.655 -13.606
  174    HA   LEU  24           HA       LEU  24  12.923   5.110 -12.312
  175   1HB   LEU  24          HB2       LEU  24  12.137   4.706 -14.671
  176   2HB   LEU  24          HB3       LEU  24  11.554   3.125 -14.184
  177    HG   LEU  24           HG       LEU  24   9.944   4.308 -12.570
  178   1HD1  LEU  24          HD11      LEU  24  11.192   6.471 -12.405
  179   2HD1  LEU  24          HD12      LEU  24  10.813   6.788 -14.114
  180   3HD1  LEU  24          HD13      LEU  24   9.521   6.672 -12.900
  181   1HD2  LEU  24          HD21      LEU  24   9.221   3.489 -14.773
  182   2HD2  LEU  24          HD22      LEU  24   8.383   4.976 -14.317
  183   3HD2  LEU  24          HD23      LEU  24   9.696   5.040 -15.513
  184    H    ILE  25           H        ILE  25  12.476   4.553 -10.149
  185    HA   ILE  25           HA       ILE  25  11.816   1.694  -9.660
  186    HB   ILE  25           HB       ILE  25  13.362   1.320  -8.251
  187   1HG1  ILE  25          HG12      ILE  25  13.414   4.063  -6.984
  188   2HG1  ILE  25          HG13      ILE  25  12.349   2.757  -6.468
  189   1HG2  ILE  25          HG21      ILE  25  15.523   2.372  -8.506
  190   2HG2  ILE  25          HG22      ILE  25  14.697   2.384 -10.056
  191   3HG2  ILE  25          HG23      ILE  25  14.772   3.874  -9.069
  192   1HD1  ILE  25          HD11      ILE  25  14.229   2.772  -5.005
  193   2HD1  ILE  25          HD12      ILE  25  14.315   1.314  -6.019
  194   3HD1  ILE  25          HD13      ILE  25  15.377   2.706  -6.347
  195    H    ARG  26           H        ARG  26  10.171   1.210  -8.446
  196    HA   ARG  26           HA       ARG  26   8.328   3.316  -7.544
  197   1HB   ARG  26          HB2       ARG  26   7.492   1.274  -8.624
  198   2HB   ARG  26          HB3       ARG  26   8.259   0.259  -7.408
  199   1HG   ARG  26          HG2       ARG  26   6.766   0.908  -5.703
  200   2HG   ARG  26          HG3       ARG  26   6.264   2.381  -6.544
  201   1HD   ARG  26          HD2       ARG  26   5.645  -0.402  -7.601
  202   2HD   ARG  26          HD3       ARG  26   4.561   0.499  -6.519
  203    HE   ARG  26           HE       ARG  26   5.106   2.325  -8.501
  204   1HH1  ARG  26          HH22      ARG  26   3.717  -0.959  -8.630
  205   2HH1  ARG  26          HH21      ARG  26   2.787  -0.617 -10.042
  206   1HH2  ARG  26          HH12      ARG  26   3.967   2.762 -10.196
  207   2HH2  ARG  26          HH11      ARG  26   2.916   1.613 -11.007
  208    H    VAL  27           H        VAL  27   7.914   3.706  -5.371
  209    HA   VAL  27           HA       VAL  27   9.647   2.475  -3.300
  210    HB   VAL  27           HB       VAL  27   8.911   5.425  -3.640
  211   1HG1  VAL  27          HG11      VAL  27  10.531   5.838  -1.869
  212   2HG1  VAL  27          HG12      VAL  27   9.289   4.725  -1.296
  213   3HG1  VAL  27          HG13      VAL  27  10.900   4.114  -1.751
  214   1HG2  VAL  27          HG21      VAL  27  10.498   4.936  -5.410
  215   2HG2  VAL  27          HG22      VAL  27  11.322   5.827  -4.136
  216   3HG2  VAL  27          HG23      VAL  27  11.563   4.073  -4.278
  217    H    HIS  28           H        HIS  28   8.407   1.836  -1.568
  218    HA   HIS  28           HA       HIS  28   5.484   2.416  -1.587
  219   1HB   HIS  28          HB2       HIS  28   7.126   0.363  -0.055
  220   2HB   HIS  28          HB3       HIS  28   5.366   0.462  -0.131
  221    HD1  HIS  28           HD1      HIS  28   4.566   0.398  -3.028
  222    HD2  HIS  28           HD2      HIS  28   8.057  -1.489  -1.620
  223    HE1  HIS  28           HE1      HIS  28   5.165  -1.387  -4.745
  224    H    SER  29           H        SER  29   4.427   3.145   0.301
  225    HA   SER  29           HA       SER  29   5.798   5.023   1.938
  226   1HB   SER  29          HB2       SER  29   3.121   3.694   2.446
  227   2HB   SER  29          HB3       SER  29   3.707   5.188   3.183
  228    HG   SER  29           HG       SER  29   3.160   4.734   0.428
  229    H    ALA  30           H        ALA  30   7.527   4.060   3.073
  230    HA   ALA  30           HA       ALA  30   6.656   2.966   5.618
  231   1HB   ALA  30          HB1       ALA  30   8.179   1.060   5.642
  232   2HB   ALA  30          HB2       ALA  30   7.058   0.913   4.286
  233   3HB   ALA  30          HB3       ALA  30   8.729   1.429   4.002
  234    HA   PRO  31           HA       PRO  31  10.741   5.666   5.620
  235   1HB   PRO  31          HB2       PRO  31   8.762   7.824   6.360
  236   2HB   PRO  31          HB3       PRO  31  10.420   7.979   5.687
  237   1HG   PRO  31          HG2       PRO  31   8.266   8.209   4.055
  238   2HG   PRO  31          HG3       PRO  31   9.692   7.258   3.531
  239   1HD   PRO  31          HD2       PRO  31   7.081   6.264   4.678
  240   2HD   PRO  31          HD3       PRO  31   8.045   5.646   3.305
  241    H    ARG  32           H        ARG  32  11.699   5.707   7.569
  242    HA   ARG  32           HA       ARG  32  12.085   4.938   9.667
  243   1HB   ARG  32          HB2       ARG  32   9.961   7.061  10.168
  244   2HB   ARG  32          HB3       ARG  32  11.006   6.420  11.429
  245   1HG   ARG  32          HG2       ARG  32  12.079   7.825   8.935
  246   2HG   ARG  32          HG3       ARG  32  11.743   8.622  10.476
  247   1HD   ARG  32          HD2       ARG  32  13.340   7.187  11.641
  248   2HD   ARG  32          HD3       ARG  32  13.679   6.286  10.172
  249    HE   ARG  32           HE       ARG  32  14.570   8.998  10.883
  250   1HH1  ARG  32          HH11      ARG  32  14.297   6.683   8.192
  251   2HH1  ARG  32          HH12      ARG  32  15.853   7.029   7.547
  252   1HH2  ARG  32          HH21      ARG  32  16.521   9.667   9.844
  253   2HH2  ARG  32          HH22      ARG  32  17.037   8.908   8.389
  254    H    SER  33           H        SER  33  10.043   3.310   8.259
  255    HA   SER  33           HA       SER  33   8.567   1.688   8.597
  256   1HB   SER  33          HB2       SER  33   9.921   1.377  11.300
  257   2HB   SER  33          HB3       SER  33   9.070   0.128  10.377
  258    HG   SER  33           HG       SER  33  11.346   0.018  10.119
  259    H    GLY  34           H        GLY  34   7.571   4.344   9.295
  260   1HA   GLY  34          HA2       GLY  34   5.369   3.592  11.164
  261   2HA   GLY  34          HA3       GLY  34   6.384   5.005  11.495
  262    H    ALA  35           H        ALA  35   5.610   4.164   8.163
  263    HA   ALA  35           HA       ALA  35   4.497   6.714   7.597
  264   1HB   ALA  35          HB1       ALA  35   5.605   5.248   5.929
  265   2HB   ALA  35          HB2       ALA  35   4.240   4.107   6.029
  266   3HB   ALA  35          HB3       ALA  35   3.990   5.748   5.398
  267    HA   PRO  36           HA       PRO  36   0.287   6.009   8.856
  268   1HB   PRO  36          HB2       PRO  36  -1.060   7.998   7.576
  269   2HB   PRO  36          HB3       PRO  36   0.192   8.338   8.807
  270   1HG   PRO  36          HG2       PRO  36   0.530   8.284   5.786
  271   2HG   PRO  36          HG3       PRO  36   1.012   9.584   6.925
  272   1HD   PRO  36          HD2       PRO  36   2.775   7.685   6.076
  273   2HD   PRO  36          HD3       PRO  36   2.824   8.322   7.747
  274    H    ALA  37           H        ALA  37   1.243   5.187   5.693
  275    HA   ALA  37           HA       ALA  37  -1.316   3.925   4.991
  276   1HB   ALA  37          HB1       ALA  37   0.013   6.067   3.257
  277   2HB   ALA  37          HB2       ALA  37  -1.464   5.155   2.865
  278   3HB   ALA  37          HB3       ALA  37  -1.471   6.309   4.207
  279    H    ALA  38           H        ALA  38  -0.872   3.083   2.543
  280    HA   ALA  38           HA       ALA  38   1.894   2.086   2.208
  281   1HB   ALA  38          HB1       ALA  38  -0.579   0.330   2.021
  282   2HB   ALA  38          HB2       ALA  38   1.106  -0.144   1.690
  283   3HB   ALA  38          HB3       ALA  38   0.622   0.290   3.339
  284    H    GLU  39           H        GLU  39   0.754   4.325   1.018
  285    HA   GLU  39           HA       GLU  39  -0.035   3.625  -1.699
  286   1HB   GLU  39          HB2       GLU  39   0.960   6.241  -0.463
  287   2HB   GLU  39          HB3       GLU  39   0.362   6.078  -2.111
  288   1HG   GLU  39          HG2       GLU  39  -1.258   5.638   0.433
  289   2HG   GLU  39          HG3       GLU  39  -1.339   7.034  -0.629
  290    H    SER  40           H        SER  40   1.462   4.528  -3.536
  291    HA   SER  40           HA       SER  40   4.322   4.235  -2.933
  292   1HB   SER  40          HB2       SER  40   3.032   2.675  -5.196
  293   2HB   SER  40          HB3       SER  40   4.701   2.585  -4.631
  294    HG   SER  40           HG       SER  40   2.372   1.765  -3.217
  295    H    LYS  41           H        LYS  41   5.661   4.966  -4.736
  296    HA   LYS  41           HA       LYS  41   4.482   6.399  -6.968
  297   1HB   LYS  41          HB2       LYS  41   5.627   8.578  -6.427
  298   2HB   LYS  41          HB3       LYS  41   4.227   8.185  -5.462
  299   1HG   LYS  41          HG2       LYS  41   5.663   9.107  -3.942
  300   2HG   LYS  41          HG3       LYS  41   5.783   7.389  -3.630
  301   1HD   LYS  41          HD2       LYS  41   7.940   8.347  -3.366
  302   2HD   LYS  41          HD3       LYS  41   7.969   7.313  -4.783
  303   1HE   LYS  41          HE2       LYS  41   9.221   9.370  -5.145
  304   2HE   LYS  41          HE3       LYS  41   7.861   9.269  -6.261
  305   1HZ   LYS  41          HZ1       LYS  41   7.973  10.944  -3.801
  306   2HZ   LYS  41          HZ2       LYS  41   8.124  11.437  -5.383
  307   3HZ   LYS  41          HZ3       LYS  41   6.695  10.865  -4.838
  308    H    GLU  42           H        GLU  42   6.375   7.378  -8.320
  309    HA   GLU  42           HA       GLU  42   8.608   5.402  -8.218
  310   1HB   GLU  42          HB2       GLU  42   7.420   6.965 -10.551
  311   2HB   GLU  42          HB3       GLU  42   8.880   5.988 -10.629
  312   1HG   GLU  42          HG2       GLU  42   7.153   4.680 -11.544
  313   2HG   GLU  42          HG3       GLU  42   7.597   3.971  -9.992
  314    H    ILE  43           H        ILE  43  10.740   6.181  -8.733
  315    HA   ILE  43           HA       ILE  43  11.128   9.116  -8.782
  316    HB   ILE  43           HB       ILE  43  13.109   8.895  -7.350
  317   1HG1  ILE  43          HG12      ILE  43  12.176   6.056  -6.758
  318   2HG1  ILE  43          HG13      ILE  43  13.559   6.449  -7.778
  319   1HG2  ILE  43          HG21      ILE  43  11.930   8.876  -5.262
  320   2HG2  ILE  43          HG22      ILE  43  10.808   9.478  -6.488
  321   3HG2  ILE  43          HG23      ILE  43  10.664   7.803  -5.909
  322   1HD1  ILE  43          HD11      ILE  43  13.341   7.174  -4.835
  323   2HD1  ILE  43          HD12      ILE  43  14.233   5.812  -5.518
  324   3HD1  ILE  43          HD13      ILE  43  14.731   7.473  -5.908
  325    H    VAL  44           H        VAL  44  13.122   9.748  -9.748
  326    HA   VAL  44           HA       VAL  44  13.943   7.886 -11.944
  327    HB   VAL  44           HB       VAL  44  13.494  10.908 -11.874
  328   1HG1  VAL  44          HG11      VAL  44  13.796  10.873 -14.308
  329   2HG1  VAL  44          HG12      VAL  44  15.267  10.333 -13.494
  330   3HG1  VAL  44          HG13      VAL  44  14.187   9.146 -14.261
  331   1HG2  VAL  44          HG21      VAL  44  11.587  10.562 -13.314
  332   2HG2  VAL  44          HG22      VAL  44  11.871   8.808 -13.363
  333   3HG2  VAL  44          HG23      VAL  44  11.357   9.601 -11.859
  334    H    ARG  45           H        ARG  45  16.094   7.330 -11.734
  335    HA   ARG  45           HA       ARG  45  17.999   9.391 -10.762
  336   1HB   ARG  45          HB2       ARG  45  17.895   6.523  -9.754
  337   2HB   ARG  45          HB3       ARG  45  19.150   7.689  -9.357
  338   1HG   ARG  45          HG2       ARG  45  16.219   7.867  -8.516
  339   2HG   ARG  45          HG3       ARG  45  17.567   7.337  -7.521
  340   1HD   ARG  45          HD2       ARG  45  18.596   9.554  -7.617
  341   2HD   ARG  45          HD3       ARG  45  17.280  10.139  -8.622
  342    HE   ARG  45           HE       ARG  45  15.868  10.241  -6.809
  343   1HH1  ARG  45          HH11      ARG  45  18.917   8.690  -5.731
  344   2HH1  ARG  45          HH12      ARG  45  18.364   8.602  -4.065
  345   1HH2  ARG  45          HH21      ARG  45  15.319  10.172  -4.560
  346   2HH2  ARG  45          HH22      ARG  45  16.458   9.419  -3.432
  347    H    GLY  46           H        GLY  46  20.106   9.152 -11.701
  348   1HA   GLY  46          HA2       GLY  46  21.004   6.912 -13.150
  349   2HA   GLY  46          HA3       GLY  46  20.180   7.988 -14.288
  350    H    TYR  47           H        TYR  47  23.125   7.226 -13.700
  351    HA   TYR  47           HA       TYR  47  24.261   9.921 -13.896
  352   1HB   TYR  47          HB2       TYR  47  25.251   8.112 -11.677
  353   2HB   TYR  47          HB3       TYR  47  25.598   9.810 -11.922
  354    HD1  TYR  47           HD1      TYR  47  24.165  11.514 -10.876
  355    HD2  TYR  47           HD2      TYR  47  23.097   7.341 -10.782
  356    HE1  TYR  47           HE1      TYR  47  22.543  11.973  -9.061
  357    HE2  TYR  47           HE2      TYR  47  21.455   7.790  -8.979
  358    HH   TYR  47           HH       TYR  47  21.056  11.053  -7.534
  359    H    LYS  48           H        LYS  48  26.581   9.787 -14.472
  360    HA   LYS  48           HA       LYS  48  27.134   7.654 -16.258
  361   1HB   LYS  48          HB2       LYS  48  29.057   9.663 -14.993
  362   2HB   LYS  48          HB3       LYS  48  29.446   8.573 -16.325
  363   1HG   LYS  48          HG2       LYS  48  27.539   9.617 -17.640
  364   2HG   LYS  48          HG3       LYS  48  27.378  10.808 -16.348
  365   1HD   LYS  48          HD2       LYS  48  28.713  11.867 -18.009
  366   2HD   LYS  48          HD3       LYS  48  29.831  11.394 -16.733
  367   1HE   LYS  48          HE2       LYS  48  30.922  10.796 -18.752
  368   2HE   LYS  48          HE3       LYS  48  30.327   9.277 -18.087
  369   1HZ   LYS  48          HZ1       LYS  48  29.195  10.819 -20.338
  370   2HZ   LYS  48          HZ2       LYS  48  29.806   9.314 -20.380
  371   3HZ   LYS  48          HZ3       LYS  48  28.361   9.589 -19.650
  372    H    TRP  49           H        TRP  49  28.004   7.995 -12.794
  373    HA   TRP  49           HA       TRP  49  29.961   5.932 -12.847
  374   1HB   TRP  49          HB2       TRP  49  29.555   5.819 -10.361
  375   2HB   TRP  49          HB3       TRP  49  30.107   7.330 -11.037
  376    HD1  TRP  49           HD1      TRP  49  28.900   9.426 -10.340
  377    HE1  TRP  49           HE1      TRP  49  26.828  10.014  -8.981
  378    HE3  TRP  49           HE3      TRP  49  26.860   4.740  -9.896
  379    HZ2  TRP  49           HZ2      TRP  49  24.543   8.634  -7.852
  380    HZ3  TRP  49           HZ3      TRP  49  24.684   4.434  -8.792
  381    HH2  TRP  49           HH2      TRP  49  23.478   6.373  -7.794
  382    H    ALA  50           H        ALA  50  26.411   5.700 -12.787
  383    HA   ALA  50           HA       ALA  50  26.582   2.807 -12.233
  384   1HB   ALA  50          HB1       ALA  50  24.197   4.605 -12.756
  385   2HB   ALA  50          HB2       ALA  50  24.162   2.840 -12.484
  386   3HB   ALA  50          HB3       ALA  50  24.736   3.904 -11.198
  387    H    GLU  51           H        GLU  51  28.051   2.543 -14.081
  388    HA   GLU  51           HA       GLU  51  27.100   2.889 -16.758
  389   1HB   GLU  51          HB2       GLU  51  29.233   1.114 -15.499
  390   2HB   GLU  51          HB3       GLU  51  28.923   1.071 -17.228
  391   1HG   GLU  51          HG2       GLU  51  29.713   3.578 -15.704
  392   2HG   GLU  51          HG3       GLU  51  30.824   2.515 -16.554
  393    H    TYR  52           H        TYR  52  25.860   0.850 -14.378
  394    HA   TYR  52           HA       TYR  52  24.398  -0.695 -16.379
  395   1HB   TYR  52          HB2       TYR  52  24.558  -2.668 -14.650
  396   2HB   TYR  52          HB3       TYR  52  25.714  -2.471 -15.952
  397    HD1  TYR  52           HD1      TYR  52  27.939  -1.396 -15.507
  398    HD2  TYR  52           HD2      TYR  52  25.325  -2.718 -12.358
  399    HE1  TYR  52           HE1      TYR  52  29.873  -1.433 -13.931
  400    HE2  TYR  52           HE2      TYR  52  27.228  -2.775 -10.776
  401    HH   TYR  52           HH       TYR  52  29.512  -2.406 -10.484
  402    H    HIS  53           H        HIS  53  22.279  -0.913 -15.770
  403    HA   HIS  53           HA       HIS  53  21.196   0.974 -14.032
  404   1HB   HIS  53          HB2       HIS  53  19.740  -1.547 -14.879
  405   2HB   HIS  53          HB3       HIS  53  19.060   0.051 -14.579
  406    HD1  HIS  53           HD1      HIS  53  19.266   1.825 -16.675
  407    HD2  HIS  53           HD2      HIS  53  20.971  -1.998 -17.215
  408    HE1  HIS  53           HE1      HIS  53  19.941   1.649 -19.136
  409    H    ALA  54           H        ALA  54  22.072  -2.403 -13.362
  410    HA   ALA  54           HA       ALA  54  20.647  -2.724 -10.933
  411   1HB   ALA  54          HB1       ALA  54  22.285  -4.505 -10.459
  412   2HB   ALA  54          HB2       ALA  54  21.720  -4.595 -12.138
  413   3HB   ALA  54          HB3       ALA  54  23.326  -3.920 -11.769
  414    H    ASP  55           H        ASP  55  23.643  -0.904 -11.629
  415    HA   ASP  55           HA       ASP  55  24.561  -0.848  -8.907
  416   1HB   ASP  55          HB2       ASP  55  25.910  -0.239 -11.019
  417   2HB   ASP  55          HB3       ASP  55  25.069   1.287 -11.004
  418    H    ILE  56           H        ILE  56  22.566   1.417 -10.877
  419    HA   ILE  56           HA       ILE  56  22.140   3.205  -8.647
  420    HB   ILE  56           HB       ILE  56  20.025   3.786 -10.224
  421   1HG1  ILE  56          HG12      ILE  56  21.997   2.555 -12.158
  422   2HG1  ILE  56          HG13      ILE  56  20.249   2.329 -12.009
  423   1HG2  ILE  56          HG21      ILE  56  21.653   5.276  -9.262
  424   2HG2  ILE  56          HG22      ILE  56  22.807   4.887 -10.556
  425   3HG2  ILE  56          HG23      ILE  56  21.267   5.707 -10.918
  426   1HD1  ILE  56          HD11      ILE  56  21.749   4.746 -13.083
  427   2HD1  ILE  56          HD12      ILE  56  20.734   3.604 -13.977
  428   3HD1  ILE  56          HD13      ILE  56  19.987   4.707 -12.796
  429    H    TYR  57           H        TYR  57  20.230   0.395  -9.998
  430    HA   TYR  57           HA       TYR  57  18.025   0.879  -8.287
  431   1HB   TYR  57          HB2       TYR  57  17.839  -0.783 -10.034
  432   2HB   TYR  57          HB3       TYR  57  19.129  -1.751  -9.320
  433    HD1  TYR  57           HD1      TYR  57  15.941  -0.139  -8.023
  434    HD2  TYR  57           HD2      TYR  57  18.369  -3.702  -8.259
  435    HE1  TYR  57           HE1      TYR  57  14.377  -1.295  -6.514
  436    HE2  TYR  57           HE2      TYR  57  16.776  -4.886  -6.789
  437    HH   TYR  57           HH       TYR  57  13.906  -3.295  -5.333
  438    H    ASP  58           H        ASP  58  21.069  -0.986  -7.612
  439    HA   ASP  58           HA       ASP  58  20.327  -1.712  -4.970
  440   1HB   ASP  58          HB2       ASP  58  22.139  -2.822  -6.152
  441   2HB   ASP  58          HB3       ASP  58  23.068  -1.320  -6.220
  442    H    LYS  59           H        LYS  59  22.360   1.054  -6.133
  443    HA   LYS  59           HA       LYS  59  22.893   2.137  -3.565
  444   1HB   LYS  59          HB2       LYS  59  24.195   2.741  -5.456
  445   2HB   LYS  59          HB3       LYS  59  22.804   3.374  -6.340
  446   1HG   LYS  59          HG2       LYS  59  22.750   5.360  -5.206
  447   2HG   LYS  59          HG3       LYS  59  23.358   4.667  -3.685
  448   1HD   LYS  59          HD2       LYS  59  25.603   4.536  -4.486
  449   2HD   LYS  59          HD3       LYS  59  25.123   4.968  -6.132
  450   1HE   LYS  59          HE2       LYS  59  24.334   7.201  -5.275
  451   2HE   LYS  59          HE3       LYS  59  24.934   6.765  -3.669
  452   1HZ   LYS  59          HZ1       LYS  59  27.164   6.613  -4.629
  453   2HZ   LYS  59          HZ2       LYS  59  26.596   7.019  -6.112
  454   3HZ   LYS  59          HZ3       LYS  59  26.538   8.094  -4.884
  455    H    VAL  60           H        VAL  60  20.241   2.895  -5.874
  456    HA   VAL  60           HA       VAL  60  19.158   4.956  -4.193
  457    HB   VAL  60           HB       VAL  60  17.987   3.502  -6.583
  458   1HG1  VAL  60          HG11      VAL  60  16.240   4.581  -5.145
  459   2HG1  VAL  60          HG12      VAL  60  17.126   6.100  -5.217
  460   3HG1  VAL  60          HG13      VAL  60  16.425   5.399  -6.704
  461   1HG2  VAL  60          HG21      VAL  60  19.288   6.264  -6.385
  462   2HG2  VAL  60          HG22      VAL  60  20.140   4.846  -6.981
  463   3HG2  VAL  60          HG23      VAL  60  18.732   5.409  -7.855
  464    H    SER  61           H        SER  61  18.432   1.401  -4.573
  465    HA   SER  61           HA       SER  61  16.263   1.470  -2.702
  466   1HB   SER  61          HB2       SER  61  18.234  -0.778  -3.273
  467   2HB   SER  61          HB3       SER  61  16.691  -0.922  -2.404
  468    HG   SER  61           HG       SER  61  17.193  -0.317  -5.106
  469    H    GLY  62           H        GLY  62  19.808   1.567  -2.246
  470   1HA   GLY  62          HA2       GLY  62  19.839   1.152   0.583
  471   2HA   GLY  62          HA3       GLY  62  21.038   2.031  -0.386
  472    H    ASP  63           H        ASP  63  19.789   4.198  -1.376
  473    HA   ASP  63           HA       ASP  63  19.464   6.055   0.736
  474   1HB   ASP  63          HB2       ASP  63  20.053   6.763  -1.463
  475   2HB   ASP  63          HB3       ASP  63  18.619   6.046  -2.188
  476    H    MET  64           H        MET  64  16.896   4.405  -1.228
  477    HA   MET  64           HA       MET  64  14.752   5.546   0.249
  478   1HB   MET  64          HB2       MET  64  14.920   2.927  -1.289
  479   2HB   MET  64          HB3       MET  64  13.435   3.674  -0.711
  480   1HG   MET  64          HG2       MET  64  15.284   4.910  -2.772
  481   2HG   MET  64          HG3       MET  64  13.705   4.212  -3.052
  482   1HE   MET  64          HE1       MET  64  15.603   7.292  -2.836
  483   2HE   MET  64          HE2       MET  64  14.751   8.432  -1.773
  484   3HE   MET  64          HE3       MET  64  15.612   7.077  -1.072
  485    H    GLN  65           H        GLN  65  16.480   2.399   0.868
  486    HA   GLN  65           HA       GLN  65  14.762   1.781   3.076
  487   1HB   GLN  65          HB2       GLN  65  17.471   0.885   2.088
  488   2HB   GLN  65          HB3       GLN  65  16.877   0.294   3.650
  489   1HG   GLN  65          HG2       GLN  65  14.925  -0.707   2.629
  490   2HG   GLN  65          HG3       GLN  65  15.304   0.009   1.057
  491   1HE2  GLN  65          HE22      GLN  65  17.535  -0.576   0.180
  492   2HE2  GLN  65          HE21      GLN  65  18.051  -2.254   0.352
  493    H    LYS  66           H        LYS  66  17.707   3.762   2.778
  494    HA   LYS  66           HA       LYS  66  18.104   4.200   5.588
  495   1HB   LYS  66          HB2       LYS  66  19.870   4.634   4.148
  496   2HB   LYS  66          HB3       LYS  66  18.940   5.583   3.036
  497   1HG   LYS  66          HG2       LYS  66  19.573   6.534   5.852
  498   2HG   LYS  66          HG3       LYS  66  20.672   6.736   4.485
  499   1HD   LYS  66          HD2       LYS  66  17.898   7.971   4.644
  500   2HD   LYS  66          HD3       LYS  66  19.438   8.792   4.910
  501   1HE   LYS  66          HE2       LYS  66  20.132   8.226   2.579
  502   2HE   LYS  66          HE3       LYS  66  18.576   7.428   2.331
  503   1HZ   LYS  66          HZ1       LYS  66  19.031  10.304   2.665
  504   2HZ   LYS  66          HZ2       LYS  66  18.348   9.458   1.413
  505   3HZ   LYS  66          HZ3       LYS  66  17.535   9.628   2.832
  506    H    GLN  67           H        GLN  67  15.820   5.644   3.214
  507    HA   GLN  67           HA       GLN  67  14.770   7.543   5.151
  508   1HB   GLN  67          HB2       GLN  67  13.386   6.357   2.717
  509   2HB   GLN  67          HB3       GLN  67  12.824   7.712   3.667
  510   1HG   GLN  67          HG2       GLN  67  15.510   7.709   2.226
  511   2HG   GLN  67          HG3       GLN  67  14.020   8.262   1.477
  512   1HE2  GLN  67          HE22      GLN  67  12.810  10.066   2.752
  513   2HE2  GLN  67          HE21      GLN  67  13.825  11.262   3.519
  514    H    GLY  68           H        GLY  68  13.948   4.285   4.060
  515   1HA   GLY  68          HA2       GLY  68  13.519   2.752   6.099
  516   2HA   GLY  68          HA3       GLY  68  12.090   3.766   6.328
  517    H    CYS  69           H        CYS  69  12.568   3.677   3.043
  518    HA   CYS  69           HA       CYS  69  10.064   2.313   2.652
  519   1HB   CYS  69          HB2       CYS  69  12.116   3.666   0.885
  520   2HB   CYS  69          HB3       CYS  69  10.635   2.962   0.231
  521    HG   CYS  69           HG       CYS  69   8.971   4.399   1.286
  522    H    ASP  70           H        ASP  70   9.844   0.888   0.696
  523    HA   ASP  70           HA       ASP  70  12.023  -1.076   0.283
  524   1HB   ASP  70          HB2       ASP  70  10.342  -2.203   1.675
  525   2HB   ASP  70          HB3       ASP  70   9.050  -1.660   0.598
  526    H    CYS  71           H        CYS  71  12.046  -1.754  -2.016
  527    HA   CYS  71           HA       CYS  71  10.460  -0.028  -3.820
  528   1HB   CYS  71          HB2       CYS  71  13.523  -0.007  -3.730
  529   2HB   CYS  71          HB3       CYS  71  12.473   0.942  -4.791
  530    HG   CYS  71           HG       CYS  71  11.161   1.657  -2.317
  531    H    GLU  72           H        GLU  72  10.965  -0.374  -6.148
  532    HA   GLU  72           HA       GLU  72  12.310  -2.880  -6.891
  533   1HB   GLU  72          HB2       GLU  72  10.077  -3.655  -6.318
  534   2HB   GLU  72          HB3       GLU  72   9.322  -2.349  -7.245
  535   1HG   GLU  72          HG2       GLU  72  10.134  -3.245  -9.325
  536   2HG   GLU  72          HG3       GLU  72  11.152  -4.427  -8.492
  537    H    CYS  73           H        CYS  73  13.360  -2.470  -8.829
  538    HA   CYS  73           HA       CYS  73  12.984  -0.007 -10.314
  539   1HB   CYS  73          HB2       CYS  73  14.449  -1.338 -11.996
  540   2HB   CYS  73          HB3       CYS  73  15.175  -0.835 -10.472
  541    HG   CYS  73           HG       CYS  73  15.908  -3.304 -11.294
  542    H    LEU  74           H        LEU  74  11.222   0.339 -11.559
  543    HA   LEU  74           HA       LEU  74   9.477  -1.831 -12.460
  544   1HB   LEU  74          HB2       LEU  74   9.575   1.136 -13.173
  545   2HB   LEU  74          HB3       LEU  74   8.330   0.004 -13.685
  546    HG   LEU  74           HG       LEU  74   8.888   0.917 -10.836
  547   1HD1  LEU  74          HD11      LEU  74   6.477   1.290 -12.668
  548   2HD1  LEU  74          HD12      LEU  74   6.653   1.917 -11.015
  549   3HD1  LEU  74          HD13      LEU  74   7.707   2.518 -12.309
  550   1HD2  LEU  74          HD21      LEU  74   6.877  -1.150 -11.837
  551   2HD2  LEU  74          HD22      LEU  74   8.192  -1.406 -10.664
  552   3HD2  LEU  74          HD23      LEU  74   6.818  -0.389 -10.234
  553    H    GLY  75           H        GLY  75  12.206   0.034 -13.710
  554   1HA   GLY  75          HA2       GLY  75  13.057  -1.777 -15.613
  555   2HA   GLY  75          HA3       GLY  75  11.977  -0.665 -16.474
  556    H    GLY  76           H        GLY  76  14.129  -0.106 -17.552
  557   1HA   GLY  76          HA2       GLY  76  14.888   2.471 -16.522
  558   2HA   GLY  76          HA3       GLY  76  16.240   1.329 -16.434
  559    H    GLY  77           H        GLY  77  17.154   2.930 -18.000
  560   1HA   GLY  77          HA2       GLY  77  17.075   2.098 -20.721
  561   2HA   GLY  77          HA3       GLY  77  16.061   3.535 -20.500
  562    H    ARG  78           H        ARG  78  17.643   4.665 -21.847
  563    HA   ARG  78           HA       ARG  78  20.098   5.486 -20.380
  564   1HB   ARG  78          HB2       ARG  78  20.561   3.795 -22.165
  565   2HB   ARG  78          HB3       ARG  78  19.879   4.901 -23.362
  566   1HG   ARG  78          HG2       ARG  78  21.684   6.525 -22.927
  567   2HG   ARG  78          HG3       ARG  78  22.282   5.522 -21.583
  568   1HD   ARG  78          HD2       ARG  78  22.697   3.662 -23.164
  569   2HD   ARG  78          HD3       ARG  78  22.160   4.672 -24.502
  570    HE   ARG  78           HE       ARG  78  24.576   5.109 -22.790
  571   1HH1  ARG  78          HH21      ARG  78  22.960   5.686 -25.926
  572   2HH1  ARG  78          HH22      ARG  78  24.392   6.276 -26.682
  573   1HH2  ARG  78          HH11      ARG  78  26.472   5.820 -23.852
  574   2HH2  ARG  78          HH12      ARG  78  26.415   6.346 -25.487
  575    H    ILE  79           H        ILE  79  20.777   7.631 -20.834
  576    HA   ILE  79           HA       ILE  79  18.660   9.414 -21.876
  577    HB   ILE  79           HB       ILE  79  20.076   9.467 -19.172
  578   1HG1  ILE  79          HG12      ILE  79  17.204   9.118 -20.087
  579   2HG1  ILE  79          HG13      ILE  79  18.171   8.013 -19.127
  580   1HG2  ILE  79          HG21      ILE  79  18.262  11.602 -20.401
  581   2HG2  ILE  79          HG22      ILE  79  18.942  11.632 -18.757
  582   3HG2  ILE  79          HG23      ILE  79  20.018  11.763 -20.129
  583   1HD1  ILE  79          HD11      ILE  79  18.080   9.660 -17.224
  584   2HD1  ILE  79          HD12      ILE  79  16.957  10.645 -18.194
  585   3HD1  ILE  79          HD13      ILE  79  16.499   9.014 -17.718
  586    H    SER  80           H        SER  80  19.494  11.100 -23.062
  587    HA   SER  80           HA       SER  80  22.447  11.422 -23.194
  588   1HB   SER  80          HB2       SER  80  20.647  10.876 -25.593
  589   2HB   SER  80          HB3       SER  80  22.407  11.053 -25.597
  590    HG   SER  80           HG       SER  80  21.805   8.882 -25.692
  591    H    HIS  81           H        HIS  81  23.132  13.416 -23.862
  592    HA   HIS  81           HA       HIS  81  21.377  15.236 -25.350
  593   1HB   HIS  81          HB2       HIS  81  20.952  16.167 -23.218
  594   2HB   HIS  81          HB3       HIS  81  22.561  15.777 -22.610
  595    HD1  HIS  81           HD1      HIS  81  21.225  18.191 -25.439
  596    HD2  HIS  81           HD2      HIS  81  24.218  17.730 -22.499
  597    HE1  HIS  81           HE1      HIS  81  22.678  20.252 -25.555
  598    H    GLN  82           H        GLN  82  22.616  16.455 -26.763
  599    HA   GLN  82           HA       GLN  82  25.499  16.675 -26.514
  600   1HB   GLN  82          HB2       GLN  82  24.200  15.526 -29.038
  601   2HB   GLN  82          HB3       GLN  82  25.880  16.053 -28.880
  602   1HG   GLN  82          HG2       GLN  82  26.258  14.286 -27.157
  603   2HG   GLN  82          HG3       GLN  82  24.612  13.697 -27.433
  604   1HE2  GLN  82          HE22      GLN  82  24.072  12.802 -29.591
  605   2HE2  GLN  82          HE21      GLN  82  25.346  12.176 -30.605
  606    H    SER  83           H        SER  83  26.193  18.447 -28.079
  607    HA   SER  83           HA       SER  83  24.708  20.690 -27.656
  608   1HB   SER  83          HB2       SER  83  26.657  20.324 -29.956
  609   2HB   SER  83          HB3       SER  83  26.335  21.802 -29.029
  610    HG   SER  83           HG       SER  83  28.254  20.749 -28.346
  611    H    GLN  84           H        GLN  84  24.195  18.455 -30.304
  612    HA   GLN  84           HA       GLN  84  22.950  20.192 -32.180
  613   1HB   GLN  84          HB2       GLN  84  22.642  17.198 -31.656
  614   2HB   GLN  84          HB3       GLN  84  21.913  18.048 -33.010
  615   1HG   GLN  84          HG2       GLN  84  23.879  17.036 -33.857
  616   2HG   GLN  84          HG3       GLN  84  24.160  18.769 -33.796
  617   1HE2  GLN  84          HE22      GLN  84  26.488  18.407 -33.849
  618   2HE2  GLN  84          HE21      GLN  84  27.334  17.818 -32.442
  619    H    ASP  85           H        ASP  85  21.705  18.832 -29.122
  620    HA   ASP  85           HA       ASP  85  19.200  20.308 -29.544
  621   1HB   ASP  85          HB2       ASP  85  18.678  18.126 -30.555
  622   2HB   ASP  85          HB3       ASP  85  19.185  17.301 -29.079
  623    H    LYS  86           H        LYS  86  19.094  21.472 -27.730
  624    HA   LYS  86           HA       LYS  86  20.468  20.770 -25.328
  625   1HB   LYS  86          HB2       LYS  86  20.009  23.111 -26.050
  626   2HB   LYS  86          HB3       LYS  86  18.282  22.838 -25.798
  627   1HG   LYS  86          HG2       LYS  86  19.152  24.072 -23.928
  628   2HG   LYS  86          HG3       LYS  86  18.689  22.480 -23.384
  629   1HD   LYS  86          HD2       LYS  86  21.412  22.106 -23.927
  630   2HD   LYS  86          HD3       LYS  86  21.349  23.797 -23.467
  631   1HE   LYS  86          HE2       LYS  86  21.718  22.685 -21.428
  632   2HE   LYS  86          HE3       LYS  86  19.989  23.046 -21.406
  633   1HZ   LYS  86          HZ1       LYS  86  20.322  20.804 -20.711
  634   2HZ   LYS  86          HZ2       LYS  86  19.656  20.706 -22.222
  635   3HZ   LYS  86          HZ3       LYS  86  21.258  20.441 -22.006
  636    H    LYS  87           H        LYS  87  17.246  19.836 -26.474
  637    HA   LYS  87           HA       LYS  87  16.266  19.303 -23.761
  638   1HB   LYS  87          HB2       LYS  87  15.259  18.262 -26.453
  639   2HB   LYS  87          HB3       LYS  87  14.554  17.908 -24.887
  640   1HG   LYS  87          HG2       LYS  87  13.158  19.558 -25.626
  641   2HG   LYS  87          HG3       LYS  87  14.262  20.479 -24.605
  642   1HD   LYS  87          HD2       LYS  87  15.515  21.188 -26.651
  643   2HD   LYS  87          HD3       LYS  87  14.424  20.234 -27.652
  644   1HE   LYS  87          HE2       LYS  87  13.653  22.657 -25.960
  645   2HE   LYS  87          HE3       LYS  87  13.945  22.650 -27.699
  646   1HZ   LYS  87          HZ1       LYS  87  11.657  22.533 -27.434
  647   2HZ   LYS  87          HZ2       LYS  87  12.049  20.995 -27.805
  648   3HZ   LYS  87          HZ3       LYS  87  11.690  21.434 -26.243
  649    H    ILE  88           H        ILE  88  16.926  17.626 -22.540
  650    HA   ILE  88           HA       ILE  88  18.757  15.619 -23.596
  651    HB   ILE  88           HB       ILE  88  17.267  15.294 -20.991
  652   1HG1  ILE  88          HG12      ILE  88  19.665  17.146 -21.370
  653   2HG1  ILE  88          HG13      ILE  88  18.037  17.641 -20.903
  654   1HG2  ILE  88          HG21      ILE  88  19.238  14.132 -20.261
  655   2HG2  ILE  88          HG22      ILE  88  18.766  13.489 -21.821
  656   3HG2  ILE  88          HG23      ILE  88  20.134  14.613 -21.712
  657   1HD1  ILE  88          HD11      ILE  88  19.960  16.011 -19.218
  658   2HD1  ILE  88          HD12      ILE  88  19.367  17.651 -18.937
  659   3HD1  ILE  88          HD13      ILE  88  18.246  16.283 -18.808
  660    H    HIS  89           H        HIS  89  18.177  13.357 -23.921
  661    HA   HIS  89           HA       HIS  89  15.271  12.926 -24.447
  662   1HB   HIS  89          HB2       HIS  89  16.801  13.333 -26.455
  663   2HB   HIS  89          HB3       HIS  89  17.576  11.798 -26.061
  664    HD1  HIS  89           HD1      HIS  89  14.092  13.193 -27.039
  665    HD2  HIS  89           HD2      HIS  89  16.335   9.623 -26.968
  666    HE1  HIS  89           HE1      HIS  89  12.737  11.456 -28.335
  667    H    VAL  90           H        VAL  90  14.514  10.812 -24.051
  668    HA   VAL  90           HA       VAL  90  16.270   9.021 -22.433
  669    HB   VAL  90           HB       VAL  90  13.303   9.619 -22.055
  670   1HG1  VAL  90          HG11      VAL  90  15.246   8.068 -20.289
  671   2HG1  VAL  90          HG12      VAL  90  13.543   8.413 -19.927
  672   3HG1  VAL  90          HG13      VAL  90  13.965   7.379 -21.296
  673   1HG2  VAL  90          HG21      VAL  90  15.663  10.725 -20.484
  674   2HG2  VAL  90          HG22      VAL  90  14.449  11.638 -21.399
  675   3HG2  VAL  90          HG23      VAL  90  13.973  10.779 -19.937
  676    H    TYR  91           H        TYR  91  16.268   6.878 -23.161
  677    HA   TYR  91           HA       TYR  91  14.112   5.835 -24.811
  678   1HB   TYR  91          HB2       TYR  91  15.206   5.675 -26.849
  679   2HB   TYR  91          HB3       TYR  91  15.535   7.317 -26.372
  680    HD1  TYR  91           HD1      TYR  91  17.917   7.522 -24.896
  681    HD2  TYR  91           HD2      TYR  91  16.921   4.485 -27.788
  682    HE1  TYR  91           HE1      TYR  91  20.317   7.030 -25.215
  683    HE2  TYR  91           HE2      TYR  91  19.292   4.019 -28.162
  684    HH   TYR  91           HH       TYR  91  21.478   4.540 -27.543
  685    H    GLY  92           H        GLY  92  15.276   3.593 -25.877
  686   1HA   GLY  92          HA2       GLY  92  16.620   1.760 -25.546
  687   2HA   GLY  92          HA3       GLY  92  17.370   2.548 -24.163
  688    H    TYR  93           H        TYR  93  17.241   0.372 -23.232
  689    HA   TYR  93           HA       TYR  93  14.878   0.067 -21.573
  690   1HB   TYR  93          HB2       TYR  93  14.591  -2.288 -22.067
  691   2HB   TYR  93          HB3       TYR  93  14.358  -1.376 -23.543
  692    HD1  TYR  93           HD1      TYR  93  16.313  -1.321 -25.259
  693    HD2  TYR  93           HD2      TYR  93  16.138  -4.078 -21.947
  694    HE1  TYR  93           HE1      TYR  93  17.998  -2.749 -26.366
  695    HE2  TYR  93           HE2      TYR  93  17.824  -5.514 -23.043
  696    HH   TYR  93           HH       TYR  93  19.266  -4.701 -26.237
  697    H    SER  94           H        SER  94  15.465  -1.163 -19.603
  698    HA   SER  94           HA       SER  94  18.271  -1.007 -18.971
  699   1HB   SER  94          HB2       SER  94  16.824  -0.697 -17.149
  700   2HB   SER  94          HB3       SER  94  15.904  -2.175 -17.495
  701    HG   SER  94           HG       SER  94  17.700  -2.110 -15.784
  702    H    MET  95           H        MET  95  19.796  -2.465 -19.384
  703    HA   MET  95           HA       MET  95  19.369  -4.887 -20.784
  704   1HB   MET  95          HB2       MET  95  21.495  -3.530 -20.625
  705   2HB   MET  95          HB3       MET  95  21.714  -4.140 -18.982
  706   1HG   MET  95          HG2       MET  95  23.085  -5.374 -20.562
  707   2HG   MET  95          HG3       MET  95  21.884  -6.441 -19.852
  708   1HE   MET  95          HE1       MET  95  22.389  -7.974 -23.414
  709   2HE   MET  95          HE2       MET  95  23.619  -7.232 -22.367
  710   3HE   MET  95          HE3       MET  95  22.367  -8.281 -21.664
  711    H    ALA  96           H        ALA  96  18.907  -4.165 -17.390
  712    HA   ALA  96           HA       ALA  96  19.014  -7.059 -16.664
  713   1HB   ALA  96          HB1       ALA  96  19.267  -6.239 -14.363
  714   2HB   ALA  96          HB2       ALA  96  20.534  -5.577 -15.414
  715   3HB   ALA  96          HB3       ALA  96  19.155  -4.560 -14.928
  716    H    TYR  97           H        TYR  97  16.870  -4.223 -16.796
  717    HA   TYR  97           HA       TYR  97  14.687  -5.848 -15.565
  718   1HB   TYR  97          HB2       TYR  97  15.210  -2.891 -15.147
  719   2HB   TYR  97          HB3       TYR  97  14.016  -3.882 -14.323
  720    HD1  TYR  97           HD1      TYR  97  16.944  -2.238 -13.687
  721    HD2  TYR  97           HD2      TYR  97  15.276  -6.202 -13.306
  722    HE1  TYR  97           HE1      TYR  97  18.600  -2.760 -11.940
  723    HE2  TYR  97           HE2      TYR  97  16.936  -6.737 -11.557
  724    HH   TYR  97           HH       TYR  97  19.432  -4.410 -10.464
  725    H    GLY  98           H        GLY  98  15.449  -4.527 -18.518
  726   1HA   GLY  98          HA2       GLY  98  14.076  -4.336 -20.347
  727   2HA   GLY  98          HA3       GLY  98  12.666  -4.627 -19.327
  728    HA   PRO  99           HA       PRO  99  12.993  -0.146 -20.698
  729   1HB   PRO  99          HB2       PRO  99  10.632   0.108 -22.072
  730   2HB   PRO  99          HB3       PRO  99  12.138  -0.518 -22.805
  731   1HG   PRO  99          HG2       PRO  99   9.803  -2.100 -21.707
  732   2HG   PRO  99          HG3       PRO  99  10.689  -2.349 -23.242
  733   1HD   PRO  99          HD2       PRO  99  11.208  -3.802 -20.978
  734   2HD   PRO  99          HD3       PRO  99  12.492  -3.374 -22.145
  735    H    ALA 100           H        ALA 100  12.443   1.351 -19.268
  736    HA   ALA 100           HA       ALA 100  10.354   0.979 -17.256
  737   1HB   ALA 100          HB1       ALA 100  11.041   3.387 -16.747
  738   2HB   ALA 100          HB2       ALA 100  12.373   2.242 -16.686
  739   3HB   ALA 100          HB3       ALA 100  12.164   3.269 -18.114
  740    H    GLN 101           H        GLN 101   8.750   2.770 -16.949
  741    HA   GLN 101           HA       GLN 101   7.285   3.496 -19.400
  742   1HB   GLN 101          HB2       GLN 101   6.824   3.973 -16.417
  743   2HB   GLN 101          HB3       GLN 101   5.825   4.704 -17.683
  744   1HG   GLN 101          HG2       GLN 101   5.137   2.548 -18.513
  745   2HG   GLN 101          HG3       GLN 101   6.211   1.705 -17.383
  746   1HE2  GLN 101          HE22      GLN 101   3.268   3.768 -17.590
  747   2HE2  GLN 101          HE21      GLN 101   2.634   3.310 -16.031
  748    H    HIS 102           H        HIS 102   9.298   4.602 -20.218
  749    HA   HIS 102           HA       HIS 102  10.601   6.688 -18.953
  750   1HB   HIS 102          HB2       HIS 102  10.051   6.336 -21.915
  751   2HB   HIS 102          HB3       HIS 102  11.300   7.384 -21.239
  752    HD1  HIS 102           HD1      HIS 102  10.938   3.907 -22.474
  753    HD2  HIS 102           HD2      HIS 102  12.993   5.880 -19.385
  754    HE1  HIS 102           HE1      HIS 102  12.775   2.322 -21.680
  755    H    ALA 103           H        ALA 103   7.398   6.862 -20.347
  756    HA   ALA 103           HA       ALA 103   7.050   9.636 -20.668
  757   1HB   ALA 103          HB1       ALA 103   5.350   7.947 -21.260
  758   2HB   ALA 103          HB2       ALA 103   5.142   7.524 -19.546
  759   3HB   ALA 103          HB3       ALA 103   4.675   9.136 -20.130
  760    H    ILE 104           H        ILE 104   7.170   7.647 -17.682
  761    HA   ILE 104           HA       ILE 104   6.273   9.676 -15.857
  762    HB   ILE 104           HB       ILE 104   8.080   7.246 -15.443
  763   1HG1  ILE 104          HG12      ILE 104   5.788   6.670 -16.303
  764   2HG1  ILE 104          HG13      ILE 104   6.172   6.004 -14.724
  765   1HG2  ILE 104          HG21      ILE 104   8.444   8.646 -13.581
  766   2HG2  ILE 104          HG22      ILE 104   6.724   9.059 -13.422
  767   3HG2  ILE 104          HG23      ILE 104   7.296   7.419 -13.034
  768   1HD1  ILE 104          HD11      ILE 104   4.553   8.565 -15.094
  769   2HD1  ILE 104          HD12      ILE 104   3.853   6.928 -14.925
  770   3HD1  ILE 104          HD13      ILE 104   4.803   7.617 -13.598
  771    H    SER 105           H        SER 105   9.526   8.617 -17.014
  772    HA   SER 105           HA       SER 105  11.062  10.326 -15.443
  773   1HB   SER 105          HB2       SER 105  11.643   9.476 -18.304
  774   2HB   SER 105          HB3       SER 105  12.796   9.894 -17.042
  775    HG   SER 105           HG       SER 105  12.498   7.620 -17.258
  776    H    THR 106           H        THR 106   9.815  10.882 -18.812
  777    HA   THR 106           HA       THR 106  10.819  13.531 -18.904
  778    HB   THR 106           HB       THR 106   9.107  13.791 -20.797
  779    HG1  THR 106           HG1      THR 106   7.646  12.143 -20.150
  780   1HG2  THR 106          HG21      THR 106  11.018  11.411 -20.888
  781   2HG2  THR 106          HG22      THR 106  10.376  12.322 -22.271
  782   3HG2  THR 106          HG23      THR 106  11.478  13.107 -21.134
  783    H    GLU 107           H        GLU 107   7.589  12.337 -17.774
  784    HA   GLU 107           HA       GLU 107   6.486  14.923 -17.446
  785   1HB   GLU 107          HB2       GLU 107   5.905  12.191 -16.185
  786   2HB   GLU 107          HB3       GLU 107   5.098  13.647 -15.605
  787   1HG   GLU 107          HG2       GLU 107   4.275  14.159 -17.869
  788   2HG   GLU 107          HG3       GLU 107   5.070  12.726 -18.508
  789    H    LYS 108           H        LYS 108   8.274  12.858 -15.086
  790    HA   LYS 108           HA       LYS 108   8.098  14.796 -12.966
  791   1HB   LYS 108          HB2       LYS 108   9.914  12.397 -13.453
  792   2HB   LYS 108          HB3       LYS 108   9.992  13.400 -11.996
  793   1HG   LYS 108          HG2       LYS 108   7.725  12.910 -11.386
  794   2HG   LYS 108          HG3       LYS 108   7.450  11.999 -12.882
  795   1HD   LYS 108          HD2       LYS 108   9.053  10.314 -12.254
  796   2HD   LYS 108          HD3       LYS 108   9.589  11.221 -10.836
  797   1HE   LYS 108          HE2       LYS 108   6.668  10.463 -11.162
  798   2HE   LYS 108          HE3       LYS 108   7.827   9.262 -10.567
  799   1HZ   LYS 108          HZ1       LYS 108   7.953  11.834  -9.229
  800   2HZ   LYS 108          HZ2       LYS 108   6.603  10.916  -8.929
  801   3HZ   LYS 108          HZ3       LYS 108   8.116  10.343  -8.646
  802    H    ILE 109           H        ILE 109  10.732  14.080 -15.351
  803    HA   ILE 109           HA       ILE 109  12.534  15.986 -14.236
  804    HB   ILE 109           HB       ILE 109  12.305  14.767 -17.005
  805   1HG1  ILE 109          HG12      ILE 109  14.430  14.301 -14.853
  806   2HG1  ILE 109          HG13      ILE 109  12.958  13.338 -14.926
  807   1HG2  ILE 109          HG21      ILE 109  14.591  16.465 -15.908
  808   2HG2  ILE 109          HG22      ILE 109  14.606  15.603 -17.438
  809   3HG2  ILE 109          HG23      ILE 109  13.497  16.951 -17.215
  810   1HD1  ILE 109          HD11      ILE 109  15.093  13.484 -17.099
  811   2HD1  ILE 109          HD12      ILE 109  14.728  12.124 -16.038
  812   3HD1  ILE 109          HD13      ILE 109  13.544  12.627 -17.259
  813    H    LYS 110           H        LYS 110   9.989  16.375 -16.856
  814    HA   LYS 110           HA       LYS 110  10.667  19.128 -17.266
  815   1HB   LYS 110          HB2       LYS 110   8.088  17.574 -17.736
  816   2HB   LYS 110          HB3       LYS 110   8.249  19.302 -18.065
  817   1HG   LYS 110          HG2       LYS 110  10.210  18.817 -19.563
  818   2HG   LYS 110          HG3       LYS 110   9.939  17.092 -19.323
  819   1HD   LYS 110          HD2       LYS 110   8.989  17.812 -21.439
  820   2HD   LYS 110          HD3       LYS 110   7.696  17.281 -20.347
  821   1HE   LYS 110          HE2       LYS 110   7.011  19.529 -19.886
  822   2HE   LYS 110          HE3       LYS 110   8.499  20.218 -20.551
  823   1HZ   LYS 110          HZ1       LYS 110   6.613  18.774 -22.297
  824   2HZ   LYS 110          HZ2       LYS 110   6.427  20.359 -21.951
  825   3HZ   LYS 110          HZ3       LYS 110   7.786  19.884 -22.697
  826    H    ALA 111           H        ALA 111   8.402  17.591 -14.913
  827    HA   ALA 111           HA       ALA 111   7.356  20.037 -13.922
  828   1HB   ALA 111          HB1       ALA 111   7.712  17.362 -12.494
  829   2HB   ALA 111          HB2       ALA 111   6.668  18.698 -11.968
  830   3HB   ALA 111          HB3       ALA 111   6.319  17.850 -13.486
  831    H    LYS 112           H        LYS 112  10.180  18.084 -12.793
  832    HA   LYS 112           HA       LYS 112  10.768  19.975 -10.641
  833   1HB   LYS 112          HB2       LYS 112  12.026  17.416 -11.680
  834   2HB   LYS 112          HB3       LYS 112  12.925  18.457 -10.587
  835   1HG   LYS 112          HG2       LYS 112  11.805  16.713  -9.332
  836   2HG   LYS 112          HG3       LYS 112  11.227  18.315  -8.873
  837   1HD   LYS 112          HD2       LYS 112   9.142  17.947 -10.196
  838   2HD   LYS 112          HD3       LYS 112   9.764  16.372 -10.707
  839   1HE   LYS 112          HE2       LYS 112   8.165  16.025  -8.967
  840   2HE   LYS 112          HE3       LYS 112   9.761  15.599  -8.369
  841   1HZ   LYS 112          HZ1       LYS 112   8.491  16.899  -6.757
  842   2HZ   LYS 112          HZ2       LYS 112   9.814  17.742  -7.197
  843   3HZ   LYS 112          HZ3       LYS 112   8.342  18.145  -7.790
  844    H    TYR 113           H        TYR 113  11.724  19.667 -13.962
  845    HA   TYR 113           HA       TYR 113  13.177  20.614 -15.287
  846   1HB   TYR 113          HB2       TYR 113  11.476  22.458 -14.560
  847   2HB   TYR 113          HB3       TYR 113  12.861  23.234 -13.831
  848    HD1  TYR 113           HD1      TYR 113  11.282  22.054 -16.964
  849    HD2  TYR 113           HD2      TYR 113  14.613  24.238 -15.301
  850    HE1  TYR 113           HE1      TYR 113  11.796  22.969 -19.208
  851    HE2  TYR 113           HE2      TYR 113  15.136  25.155 -17.539
  852    HH   TYR 113           HH       TYR 113  14.524  25.228 -19.799
  853    HA   PRO 114           HA       PRO 114  16.596  20.344 -12.098
  854   1HB   PRO 114          HB2       PRO 114  17.807  18.004 -12.851
  855   2HB   PRO 114          HB3       PRO 114  16.329  18.045 -11.841
  856   1HG   PRO 114          HG2       PRO 114  16.517  17.660 -14.839
  857   2HG   PRO 114          HG3       PRO 114  15.610  16.672 -13.646
  858   1HD   PRO 114          HD2       PRO 114  14.414  18.652 -15.089
  859   2HD   PRO 114          HD3       PRO 114  13.961  18.322 -13.387
  860    H    ASP 115           H        ASP 115  16.527  20.352 -15.601
  861    HA   ASP 115           HA       ASP 115  18.995  21.933 -15.647
  862   1HB   ASP 115          HB2       ASP 115  19.959  19.720 -15.961
  863   2HB   ASP 115          HB3       ASP 115  18.764  19.327 -17.202
  864    H    TYR 116           H        TYR 116  16.559  20.244 -17.767
  865    HA   TYR 116           HA       TYR 116  15.735  22.743 -18.979
  866   1HB   TYR 116          HB2       TYR 116  18.006  21.933 -20.066
  867   2HB   TYR 116          HB3       TYR 116  17.015  20.702 -20.825
  868    HD1  TYR 116           HD1      TYR 116  17.421  24.391 -20.323
  869    HD2  TYR 116           HD2      TYR 116  15.803  21.282 -22.833
  870    HE1  TYR 116           HE1      TYR 116  16.899  26.077 -22.062
  871    HE2  TYR 116           HE2      TYR 116  15.287  22.953 -24.581
  872    HH   TYR 116           HH       TYR 116  15.363  25.209 -25.196
  873    H    GLU 117           H        GLU 117  14.271  22.007 -21.015
  874    HA   GLU 117           HA       GLU 117  12.295  20.071 -20.154
  875   1HB   GLU 117          HB2       GLU 117  11.599  21.889 -21.581
  876   2HB   GLU 117          HB3       GLU 117  12.838  21.513 -22.790
  877   1HG   GLU 117          HG2       GLU 117  11.696  19.434 -23.384
  878   2HG   GLU 117          HG3       GLU 117  10.549  19.645 -22.055
  879    H    VAL 118           H        VAL 118  11.876  18.000 -21.320
  880    HA   VAL 118           HA       VAL 118  14.189  16.833 -22.692
  881    HB   VAL 118           HB       VAL 118  14.053  14.805 -21.276
  882   1HG1  VAL 118          HG11      VAL 118  15.653  16.767 -20.846
  883   2HG1  VAL 118          HG12      VAL 118  14.620  17.200 -19.490
  884   3HG1  VAL 118          HG13      VAL 118  15.418  15.609 -19.526
  885   1HG2  VAL 118          HG21      VAL 118  11.692  15.232 -20.393
  886   2HG2  VAL 118          HG22      VAL 118  12.897  14.731 -19.195
  887   3HG2  VAL 118          HG23      VAL 118  12.388  16.435 -19.304
  888    H    THR 119           H        THR 119  13.596  14.633 -23.592
  889    HA   THR 119           HA       THR 119  10.728  14.349 -24.296
  890    HB   THR 119           HB       THR 119  11.540  13.953 -26.694
  891    HG1  THR 119           HG1      THR 119  13.766  15.451 -25.758
  892   1HG2  THR 119          HG21      THR 119  11.767  16.809 -25.670
  893   2HG2  THR 119          HG22      THR 119  11.453  16.288 -27.341
  894   3HG2  THR 119          HG23      THR 119  10.262  15.952 -26.073
  895    H    TRP 120           H        TRP 120  10.502  12.167 -25.605
  896    HA   TRP 120           HA       TRP 120  12.636  10.282 -25.084
  897   1HB   TRP 120          HB2       TRP 120  11.373   8.640 -23.906
  898   2HB   TRP 120          HB3       TRP 120  11.215  10.124 -22.993
  899    HD1  TRP 120           HD1      TRP 120   8.733  11.467 -23.718
  900    HE1  TRP 120           HE1      TRP 120   6.411  10.426 -23.732
  901    HE3  TRP 120           HE3      TRP 120  10.078   6.566 -24.359
  902    HZ2  TRP 120           HZ2      TRP 120   5.263   7.763 -23.899
  903    HZ3  TRP 120           HZ3      TRP 120   8.349   4.796 -24.347
  904    HH2  TRP 120           HH2      TRP 120   5.944   5.377 -24.136
  905    H    ALA 121           H        ALA 121  12.255   8.213 -26.174
  906    HA   ALA 121           HA       ALA 121   9.942   8.009 -27.920
  907   1HB   ALA 121          HB1       ALA 121  11.547   9.201 -29.410
  908   2HB   ALA 121          HB2       ALA 121  12.781   7.961 -29.080
  909   3HB   ALA 121          HB3       ALA 121  11.298   7.534 -29.956
  910    H    ASN 122           H        ASN 122   9.357   5.869 -27.994
  911    HA   ASN 122           HA       ASN 122  10.923   3.902 -26.512
  912   1HB   ASN 122          HB2       ASN 122   8.458   3.941 -26.425
  913   2HB   ASN 122          HB3       ASN 122   8.371   3.661 -28.165
  914   1HD2  ASN 122          HD22      ASN 122   9.794   2.157 -25.163
  915   2HD2  ASN 122          HD21      ASN 122   9.663   0.520 -25.762
  916    H    ASP 123           H        ASP 123  10.718   4.926 -29.833
  917    HA   ASP 123           HA       ASP 123  11.041   2.547 -31.236
  918   1HB   ASP 123          HB2       ASP 123  10.441   4.682 -32.265
  919   2HB   ASP 123          HB3       ASP 123  12.038   5.341 -31.894
  920    H    GLY 124           H        GLY 124  13.549   4.467 -29.633
  921   1HA   GLY 124          HA2       GLY 124  15.760   2.981 -30.896
  922   2HA   GLY 124          HA3       GLY 124  15.901   4.256 -29.693
  923    H    TYR 125           H        TYR 125  16.464   1.098 -30.135
  924    HA   TYR 125           HA       TYR 125  16.573   0.499 -27.262
  925   1HB   TYR 125          HB2       TYR 125  15.545  -1.375 -29.435
  926   2HB   TYR 125          HB3       TYR 125  16.160  -1.931 -27.897
  927    HD1  TYR 125           HD1      TYR 125  14.666   0.446 -26.264
  928    HD2  TYR 125           HD2      TYR 125  13.484  -2.592 -29.093
  929    HE1  TYR 125           HE1      TYR 125  12.449   0.341 -25.211
  930    HE2  TYR 125           HE2      TYR 125  11.250  -2.697 -28.047
  931    HH   TYR 125           HH       TYR 125   9.884  -1.926 -26.329
  Start of MODEL    9
    1   1H    MET   1          H1        MET   1  16.149  10.278  15.015
    2   2H    MET   1          H2        MET   1  14.846  11.183  15.415
    3   3H    MET   1          H3        MET   1  14.686   9.566  15.250
    4    HA   MET   1           HA       MET   1  15.322  11.457  13.087
    5   1HB   MET   1          HB2       MET   1  14.838   8.443  12.971
    6   2HB   MET   1          HB3       MET   1  14.867   9.521  11.572
    7   1HG   MET   1          HG2       MET   1  17.211  10.121  12.054
    8   2HG   MET   1          HG3       MET   1  17.212   9.014  13.436
    9   1HE   MET   1          HE1       MET   1  19.382   8.947  11.108
   10   2HE   MET   1          HE2       MET   1  19.387   7.837  12.498
   11   3HE   MET   1          HE3       MET   1  19.528   7.196  10.846
   12    H    ALA   2           H        ALA   2  13.556  12.520  12.307
   13    HA   ALA   2           HA       ALA   2  10.869  11.966  13.219
   14   1HB   ALA   2          HB1       ALA   2  10.238  13.653  11.528
   15   2HB   ALA   2          HB2       ALA   2  11.598  14.225  12.512
   16   3HB   ALA   2          HB3       ALA   2  11.882  13.622  10.860
   17    H    VAL   3           H        VAL   3   9.128  11.103  11.959
   18    HA   VAL   3           HA       VAL   3   9.826   8.984  10.076
   19    HB   VAL   3           HB       VAL   3   7.095  10.074  10.894
   20   1HG1  VAL   3          HG11      VAL   3   7.894   7.412   9.619
   21   2HG1  VAL   3          HG12      VAL   3   6.260   7.881  10.138
   22   3HG1  VAL   3          HG13      VAL   3   7.033   8.738   8.809
   23   1HG2  VAL   3          HG21      VAL   3   8.697   7.750  12.057
   24   2HG2  VAL   3          HG22      VAL   3   8.240   9.243  12.900
   25   3HG2  VAL   3          HG23      VAL   3   6.994   8.098  12.412
   26    H    ALA   4           H        ALA   4  10.444   9.572   8.050
   27    HA   ALA   4           HA       ALA   4   9.636  12.056   6.789
   28   1HB   ALA   4          HB1       ALA   4  10.887  11.234   4.865
   29   2HB   ALA   4          HB2       ALA   4  11.825  10.938   6.335
   30   3HB   ALA   4          HB3       ALA   4  10.957   9.603   5.545
   31    H    ASP   5           H        ASP   5   8.808  11.619   4.301
   32    HA   ASP   5           HA       ASP   5   6.541   9.746   4.233
   33   1HB   ASP   5          HB2       ASP   5   5.562  11.759   5.268
   34   2HB   ASP   5          HB3       ASP   5   6.261  12.777   4.006
   35    H    LEU   6           H        LEU   6   5.785   9.501   2.010
   36    HA   LEU   6           HA       LEU   6   7.782   9.322   0.085
   37   1HB   LEU   6          HB2       LEU   6   4.755   9.548  -0.170
   38   2HB   LEU   6          HB3       LEU   6   5.808   9.254  -1.527
   39    HG   LEU   6           HG       LEU   6   5.364   7.405   0.828
   40   1HD1  LEU   6          HD11      LEU   6   4.465   5.908  -0.948
   41   2HD1  LEU   6          HD12      LEU   6   3.570   7.430  -0.842
   42   3HD1  LEU   6          HD13      LEU   6   4.730   7.178  -2.153
   43   1HD2  LEU   6          HD21      LEU   6   6.794   5.767  -0.460
   44   2HD2  LEU   6          HD22      LEU   6   7.350   7.119  -1.461
   45   3HD2  LEU   6          HD23      LEU   6   7.678   7.091   0.289
   46    H    ALA   7           H        ALA   7   5.641  12.132   0.726
   47    HA   ALA   7           HA       ALA   7   6.210  13.466  -1.716
   48   1HB   ALA   7          HB1       ALA   7   5.251  15.434  -0.594
   49   2HB   ALA   7          HB2       ALA   7   4.270  13.991  -0.274
   50   3HB   ALA   7          HB3       ALA   7   5.371  14.619   0.978
   51    H    LEU   8           H        LEU   8   8.129  13.087   1.192
   52    HA   LEU   8           HA       LEU   8   9.717  15.532   0.755
   53   1HB   LEU   8          HB2       LEU   8  10.110  13.253   2.736
   54   2HB   LEU   8          HB3       LEU   8  10.963  14.791   2.731
   55    HG   LEU   8           HG       LEU   8   7.992  14.392   3.280
   56   1HD1  LEU   8          HD11      LEU   8   8.556  15.084   5.557
   57   2HD1  LEU   8          HD12      LEU   8   9.516  13.672   5.095
   58   3HD1  LEU   8          HD13      LEU   8  10.264  15.280   5.105
   59   1HD2  LEU   8          HD21      LEU   8   9.630  16.967   3.252
   60   2HD2  LEU   8          HD22      LEU   8   8.274  16.558   2.176
   61   3HD2  LEU   8          HD23      LEU   8   7.981  16.808   3.896
   62    H    ILE   9           H        ILE   9   9.763  12.225  -0.292
   63    HA   ILE   9           HA       ILE   9  12.547  11.753  -0.420
   64    HB   ILE   9           HB       ILE   9  10.235  10.642  -2.063
   65   1HG1  ILE   9          HG12      ILE   9  11.646   9.744   0.492
   66   2HG1  ILE   9          HG13      ILE   9   9.970  10.266   0.340
   67   1HG2  ILE   9          HG21      ILE   9  11.668   8.764  -2.661
   68   2HG2  ILE   9          HG22      ILE   9  12.419  10.251  -3.215
   69   3HG2  ILE   9          HG23      ILE   9  13.016   9.461  -1.743
   70   1HD1  ILE   9          HD11      ILE   9   9.545   8.258  -1.125
   71   2HD1  ILE   9          HD12      ILE   9  11.169   7.682  -0.674
   72   3HD1  ILE   9          HD13      ILE   9   9.942   7.911   0.576
   73    HA   PRO  10           HA       PRO  10  13.526  14.556  -3.849
   74   1HB   PRO  10          HB2       PRO  10  15.848  13.388  -4.814
   75   2HB   PRO  10          HB3       PRO  10  15.750  14.435  -3.369
   76   1HG   PRO  10          HG2       PRO  10  15.765  11.413  -3.481
   77   2HG   PRO  10          HG3       PRO  10  16.676  12.490  -2.379
   78   1HD   PRO  10          HD2       PRO  10  14.381  11.266  -1.615
   79   2HD   PRO  10          HD3       PRO  10  14.751  12.928  -1.079
   80    H    ASP  11           H        ASP  11  12.116  14.427  -5.467
   81    HA   ASP  11           HA       ASP  11  11.138  12.007  -6.532
   82   1HB   ASP  11          HB2       ASP  11   9.953  14.212  -6.217
   83   2HB   ASP  11          HB3       ASP  11  10.801  14.821  -7.644
   84    H    VAL  12           H        VAL  12  13.460  14.350  -7.868
   85    HA   VAL  12           HA       VAL  12  14.196  12.453 -10.031
   86    HB   VAL  12           HB       VAL  12  13.746  15.455 -10.358
   87   1HG1  VAL  12          HG11      VAL  12  14.278  15.092 -12.734
   88   2HG1  VAL  12          HG12      VAL  12  15.660  14.689 -11.724
   89   3HG1  VAL  12          HG13      VAL  12  14.663  13.385 -12.412
   90   1HG2  VAL  12          HG21      VAL  12  12.240  13.102 -11.577
   91   2HG2  VAL  12          HG22      VAL  12  11.602  14.270 -10.401
   92   3HG2  VAL  12          HG23      VAL  12  12.032  14.810 -12.023
   93    H    ASP  13           H        ASP  13  16.435  12.304 -10.209
   94    HA   ASP  13           HA       ASP  13  18.097  14.528  -9.431
   95   1HB   ASP  13          HB2       ASP  13  17.870  13.389  -7.217
   96   2HB   ASP  13          HB3       ASP  13  18.467  11.899  -7.937
   97    H    ILE  14           H        ILE  14  19.228  14.637 -11.252
   98    HA   ILE  14           HA       ILE  14  20.641  12.299 -12.293
   99    HB   ILE  14           HB       ILE  14  20.103  13.019 -14.639
  100   1HG1  ILE  14          HG12      ILE  14  17.686  14.462 -13.439
  101   2HG1  ILE  14          HG13      ILE  14  19.103  15.270 -14.118
  102   1HG2  ILE  14          HG21      ILE  14  17.693  11.961 -13.102
  103   2HG2  ILE  14          HG22      ILE  14  18.109  11.649 -14.803
  104   3HG2  ILE  14          HG23      ILE  14  19.131  11.012 -13.521
  105   1HD1  ILE  14          HD11      ILE  14  18.639  14.180 -16.321
  106   2HD1  ILE  14          HD12      ILE  14  17.131  13.525 -15.634
  107   3HD1  ILE  14          HD13      ILE  14  17.356  15.274 -15.763
  108    H    ASP  15           H        ASP  15  22.692  12.902 -12.931
  109    HA   ASP  15           HA       ASP  15  23.454  15.747 -13.014
  110   1HB   ASP  15          HB2       ASP  15  23.300  15.327 -10.602
  111   2HB   ASP  15          HB3       ASP  15  24.341  13.912 -10.754
  112    H    SER  16           H        SER  16  23.708  14.521 -15.172
  113    HA   SER  16           HA       SER  16  26.520  14.060 -15.622
  114   1HB   SER  16          HB2       SER  16  24.492  11.812 -15.947
  115   2HB   SER  16          HB3       SER  16  26.075  11.817 -16.758
  116    HG   SER  16           HG       SER  16  26.083  12.386 -14.046
  117    H    ASP  17           H        ASP  17  26.690  13.490 -18.156
  118    HA   ASP  17           HA       ASP  17  24.658  14.816 -19.792
  119   1HB   ASP  17          HB2       ASP  17  25.933  16.707 -18.804
  120   2HB   ASP  17          HB3       ASP  17  27.444  15.974 -19.346
  121    H    GLY  18           H        GLY  18  25.496  14.818 -22.121
  122   1HA   GLY  18          HA2       GLY  18  26.611  13.891 -23.920
  123   2HA   GLY  18          HA3       GLY  18  27.669  12.993 -22.821
  124    H    VAL  19           H        VAL  19  26.842  11.033 -21.835
  125    HA   VAL  19           HA       VAL  19  24.291   9.919 -22.654
  126    HB   VAL  19           HB       VAL  19  26.889   8.426 -23.270
  127   1HG1  VAL  19          HG11      VAL  19  23.981   7.564 -23.661
  128   2HG1  VAL  19          HG12      VAL  19  25.412   6.673 -24.219
  129   3HG1  VAL  19          HG13      VAL  19  25.134   6.890 -22.494
  130   1HG2  VAL  19          HG21      VAL  19  26.539  10.031 -25.062
  131   2HG2  VAL  19          HG22      VAL  19  26.153   8.414 -25.644
  132   3HG2  VAL  19          HG23      VAL  19  24.840   9.533 -25.227
  133    H    PHE  20           H        PHE  20  23.548   8.758 -20.836
  134    HA   PHE  20           HA       PHE  20  25.403   7.365 -19.115
  135   1HB   PHE  20          HB2       PHE  20  24.712   8.433 -17.022
  136   2HB   PHE  20          HB3       PHE  20  25.624   9.523 -18.036
  137    HD1  PHE  20           HD1      PHE  20  22.468   8.959 -16.318
  138    HD2  PHE  20           HD2      PHE  20  24.430  11.394 -19.289
  139    HE1  PHE  20           HE1      PHE  20  20.775  10.742 -15.979
  140    HE2  PHE  20           HE2      PHE  20  22.703  13.150 -18.982
  141    HZ   PHE  20           HZ       PHE  20  20.895  12.842 -17.305
  142    H    LYS  21           H        LYS  21  24.130   6.072 -17.446
  143    HA   LYS  21           HA       LYS  21  21.621   5.198 -18.784
  144   1HB   LYS  21          HB2       LYS  21  23.562   3.841 -16.866
  145   2HB   LYS  21          HB3       LYS  21  21.975   3.181 -17.185
  146   1HG   LYS  21          HG2       LYS  21  23.672   2.043 -18.479
  147   2HG   LYS  21          HG3       LYS  21  22.486   2.818 -19.521
  148   1HD   LYS  21          HD2       LYS  21  24.018   4.551 -20.154
  149   2HD   LYS  21          HD3       LYS  21  25.196   4.090 -18.915
  150   1HE   LYS  21          HE2       LYS  21  24.352   2.162 -21.112
  151   2HE   LYS  21          HE3       LYS  21  25.576   3.402 -21.410
  152   1HZ   LYS  21          HZ1       LYS  21  25.815   1.373 -19.261
  153   2HZ   LYS  21          HZ2       LYS  21  26.554   1.294 -20.724
  154   3HZ   LYS  21          HZ3       LYS  21  26.937   2.492 -19.672
  155    H    TYR  22           H        TYR  22  19.824   4.515 -17.395
  156    HA   TYR  22           HA       TYR  22  19.588   5.982 -14.847
  157   1HB   TYR  22          HB2       TYR  22  18.441   7.647 -15.778
  158   2HB   TYR  22          HB3       TYR  22  18.628   6.954 -17.367
  159    HD1  TYR  22           HD1      TYR  22  16.238   7.988 -14.976
  160    HD2  TYR  22           HD2      TYR  22  16.996   4.928 -17.906
  161    HE1  TYR  22           HE1      TYR  22  13.801   7.521 -15.128
  162    HE2  TYR  22           HE2      TYR  22  14.594   4.378 -17.975
  163    HH   TYR  22           HH       TYR  22  12.150   6.419 -16.321
  164    H    VAL  23           H        VAL  23  17.431   5.437 -13.812
  165    HA   VAL  23           HA       VAL  23  16.205   2.941 -14.643
  166    HB   VAL  23           HB       VAL  23  18.206   2.300 -13.229
  167   1HG1  VAL  23          HG11      VAL  23  16.618   3.535 -10.943
  168   2HG1  VAL  23          HG12      VAL  23  18.089   2.557 -10.796
  169   3HG1  VAL  23          HG13      VAL  23  18.139   4.143 -11.593
  170   1HG2  VAL  23          HG21      VAL  23  17.075   0.612 -11.923
  171   2HG2  VAL  23          HG22      VAL  23  15.522   1.458 -12.089
  172   3HG2  VAL  23          HG23      VAL  23  16.332   0.766 -13.516
  173    H    LEU  24           H        LEU  24  14.147   2.640 -13.508
  174    HA   LEU  24           HA       LEU  24  13.089   5.126 -12.232
  175   1HB   LEU  24          HB2       LEU  24  12.284   4.639 -14.581
  176   2HB   LEU  24          HB3       LEU  24  11.652   3.105 -14.014
  177    HG   LEU  24           HG       LEU  24  10.104   4.401 -12.455
  178   1HD1  LEU  24          HD11      LEU  24  11.142   6.791 -14.048
  179   2HD1  LEU  24          HD12      LEU  24   9.758   6.797 -12.935
  180   3HD1  LEU  24          HD13      LEU  24  11.374   6.523 -12.304
  181   1HD2  LEU  24          HD21      LEU  24   9.922   5.047 -15.431
  182   2HD2  LEU  24          HD22      LEU  24   9.352   3.554 -14.639
  183   3HD2  LEU  24          HD23      LEU  24   8.584   5.099 -14.258
  184    H    ILE  25           H        ILE  25  12.709   4.635 -10.058
  185    HA   ILE  25           HA       ILE  25  12.047   1.793  -9.488
  186    HB   ILE  25           HB       ILE  25  13.540   1.492  -8.029
  187   1HG1  ILE  25          HG12      ILE  25  13.456   4.255  -6.809
  188   2HG1  ILE  25          HG13      ILE  25  12.401   2.927  -6.325
  189   1HG2  ILE  25          HG21      ILE  25  14.925   4.055  -8.872
  190   2HG2  ILE  25          HG22      ILE  25  15.686   2.639  -8.143
  191   3HG2  ILE  25          HG23      ILE  25  14.971   2.495  -9.749
  192   1HD1  ILE  25          HD11      ILE  25  14.162   2.989  -4.756
  193   2HD1  ILE  25          HD12      ILE  25  14.401   1.554  -5.772
  194   3HD1  ILE  25          HD13      ILE  25  15.409   3.010  -6.005
  195    H    ARG  26           H        ARG  26  10.336   1.323  -8.405
  196    HA   ARG  26           HA       ARG  26   8.449   3.418  -7.560
  197   1HB   ARG  26          HB2       ARG  26   7.664   1.385  -8.699
  198   2HB   ARG  26          HB3       ARG  26   8.371   0.358  -7.458
  199   1HG   ARG  26          HG2       ARG  26   6.795   0.976  -5.828
  200   2HG   ARG  26          HG3       ARG  26   6.359   2.481  -6.641
  201   1HD   ARG  26          HD2       ARG  26   5.725  -0.264  -7.797
  202   2HD   ARG  26          HD3       ARG  26   4.611   0.657  -6.761
  203    HE   ARG  26           HE       ARG  26   5.366   2.470  -8.685
  204   1HH1  ARG  26          HH11      ARG  26   3.720  -0.682  -8.818
  205   2HH1  ARG  26          HH12      ARG  26   2.871  -0.323 -10.275
  206   1HH2  ARG  26          HH21      ARG  26   4.301   2.948 -10.591
  207   2HH2  ARG  26          HH22      ARG  26   3.193   1.814 -11.306
  208    H    VAL  27           H        VAL  27   7.960   3.744  -5.387
  209    HA   VAL  27           HA       VAL  27   9.612   2.475  -3.276
  210    HB   VAL  27           HB       VAL  27   8.852   5.427  -3.524
  211   1HG1  VAL  27          HG11      VAL  27  10.478   5.775  -1.717
  212   2HG1  VAL  27          HG12      VAL  27   9.206   4.668  -1.203
  213   3HG1  VAL  27          HG13      VAL  27  10.810   4.041  -1.650
  214   1HG2  VAL  27          HG21      VAL  27  10.497   5.043  -5.284
  215   2HG2  VAL  27          HG22      VAL  27  11.233   5.939  -3.964
  216   3HG2  VAL  27          HG23      VAL  27  11.571   4.201  -4.141
  217    H    HIS  28           H        HIS  28   8.328   2.091  -1.405
  218    HA   HIS  28           HA       HIS  28   5.399   2.718  -1.592
  219   1HB   HIS  28          HB2       HIS  28   6.817   0.450  -0.150
  220   2HB   HIS  28          HB3       HIS  28   5.076   0.693  -0.296
  221    HD1  HIS  28           HD1      HIS  28   4.241   0.636  -3.100
  222    HD2  HIS  28           HD2      HIS  28   7.862  -1.156  -1.910
  223    HE1  HIS  28           HE1      HIS  28   4.844  -1.041  -4.911
  224    H    SER  29           H        SER  29   4.392   3.541   0.323
  225    HA   SER  29           HA       SER  29   5.911   5.107   2.098
  226   1HB   SER  29          HB2       SER  29   3.172   3.947   2.636
  227   2HB   SER  29          HB3       SER  29   3.844   5.426   3.314
  228    HG   SER  29           HG       SER  29   3.483   6.434   1.436
  229    H    ALA  30           H        ALA  30   7.543   4.017   3.220
  230    HA   ALA  30           HA       ALA  30   6.580   2.721   5.635
  231   1HB   ALA  30          HB1       ALA  30   8.608   1.257   3.894
  232   2HB   ALA  30          HB2       ALA  30   8.032   0.756   5.490
  233   3HB   ALA  30          HB3       ALA  30   6.917   0.791   4.125
  234    HA   PRO  31           HA       PRO  31  10.890   5.111   5.966
  235   1HB   PRO  31          HB2       PRO  31   9.005   7.383   6.608
  236   2HB   PRO  31          HB3       PRO  31  10.745   7.444   6.166
  237   1HG   PRO  31          HG2       PRO  31   8.863   7.886   4.263
  238   2HG   PRO  31          HG3       PRO  31  10.263   6.842   3.898
  239   1HD   PRO  31          HD2       PRO  31   7.444   6.031   4.623
  240   2HD   PRO  31          HD3       PRO  31   8.566   5.324   3.421
  241    H    ARG  32           H        ARG  32  11.743   4.998   7.933
  242    HA   ARG  32           HA       ARG  32  12.005   4.116   9.982
  243   1HB   ARG  32          HB2       ARG  32   9.960   6.245  10.665
  244   2HB   ARG  32          HB3       ARG  32  11.124   5.554  11.787
  245   1HG   ARG  32          HG2       ARG  32  11.897   7.195   9.322
  246   2HG   ARG  32          HG3       ARG  32  11.687   7.822  10.946
  247   1HD   ARG  32          HD2       ARG  32  14.000   7.568  10.613
  248   2HD   ARG  32          HD3       ARG  32  13.496   6.361  11.784
  249    HE   ARG  32           HE       ARG  32  14.031   5.814   8.868
  250   1HH1  ARG  32          HH21      ARG  32  14.211   4.686  12.238
  251   2HH1  ARG  32          HH22      ARG  32  15.227   3.344  11.876
  252   1HH2  ARG  32          HH12      ARG  32  15.586   4.158   8.442
  253   2HH2  ARG  32          HH11      ARG  32  15.933   2.985   9.659
  254    H    SER  33           H        SER  33   9.871   2.721   8.435
  255    HA   SER  33           HA       SER  33   8.285   1.188   8.663
  256   1HB   SER  33          HB2       SER  33   9.521   0.649  11.386
  257   2HB   SER  33          HB3       SER  33   8.611  -0.486  10.377
  258    HG   SER  33           HG       SER  33  10.878  -0.764  10.182
  259    H    GLY  34           H        GLY  34   7.516   3.892   9.473
  260   1HA   GLY  34          HA2       GLY  34   5.170   3.261  11.198
  261   2HA   GLY  34          HA3       GLY  34   6.314   4.522  11.688
  262    H    ALA  35           H        ALA  35   5.713   4.072   8.262
  263    HA   ALA  35           HA       ALA  35   4.792   6.724   7.851
  264   1HB   ALA  35          HB1       ALA  35   5.888   5.337   6.118
  265   2HB   ALA  35          HB2       ALA  35   4.468   4.260   6.076
  266   3HB   ALA  35          HB3       ALA  35   4.325   5.951   5.556
  267    HA   PRO  36           HA       PRO  36   0.548   6.288   8.980
  268   1HB   PRO  36          HB2       PRO  36  -0.663   8.380   7.712
  269   2HB   PRO  36          HB3       PRO  36   0.579   8.611   8.978
  270   1HG   PRO  36          HG2       PRO  36   0.981   8.611   5.965
  271   2HG   PRO  36          HG3       PRO  36   1.520   9.846   7.150
  272   1HD   PRO  36          HD2       PRO  36   3.184   7.874   6.288
  273   2HD   PRO  36          HD3       PRO  36   3.221   8.438   7.985
  274    H    ALA  37           H        ALA  37   1.452   5.409   5.834
  275    HA   ALA  37           HA       ALA  37  -1.165   4.292   5.137
  276   1HB   ALA  37          HB1       ALA  37   0.252   6.361   3.385
  277   2HB   ALA  37          HB2       ALA  37  -1.262   5.507   2.999
  278   3HB   ALA  37          HB3       ALA  37  -1.219   6.670   4.334
  279    H    ALA  38           H        ALA  38  -0.730   3.451   2.665
  280    HA   ALA  38           HA       ALA  38   1.985   2.356   2.307
  281   1HB   ALA  38          HB1       ALA  38   0.773   0.581   3.507
  282   2HB   ALA  38          HB2       ALA  38  -0.513   0.624   2.272
  283   3HB   ALA  38          HB3       ALA  38   1.141   0.130   1.831
  284    H    GLU  39           H        GLU  39   1.301   4.514   1.052
  285    HA   GLU  39           HA       GLU  39   0.028   3.915  -1.533
  286   1HB   GLU  39          HB2       GLU  39   1.352   6.430  -0.411
  287   2HB   GLU  39          HB3       GLU  39   0.666   6.290  -2.034
  288   1HG   GLU  39          HG2       GLU  39  -1.554   5.729  -1.019
  289   2HG   GLU  39          HG3       GLU  39  -0.871   6.019   0.582
  290    H    SER  40           H        SER  40   1.560   4.871  -3.436
  291    HA   SER  40           HA       SER  40   4.355   4.144  -3.031
  292   1HB   SER  40          HB2       SER  40   2.879   2.946  -5.385
  293   2HB   SER  40          HB3       SER  40   4.492   2.556  -4.791
  294    HG   SER  40           HG       SER  40   1.989   1.963  -3.570
  295    H    LYS  41           H        LYS  41   5.720   4.919  -4.790
  296    HA   LYS  41           HA       LYS  41   4.610   6.641  -6.856
  297   1HB   LYS  41          HB2       LYS  41   5.817   8.674  -6.146
  298   2HB   LYS  41          HB3       LYS  41   4.575   8.208  -5.013
  299   1HG   LYS  41          HG2       LYS  41   6.227   8.803  -3.578
  300   2HG   LYS  41          HG3       LYS  41   6.453   7.068  -3.639
  301   1HD   LYS  41          HD2       LYS  41   8.594   7.840  -3.632
  302   2HD   LYS  41          HD3       LYS  41   8.370   7.597  -5.352
  303   1HE   LYS  41          HE2       LYS  41   8.065  10.264  -3.866
  304   2HE   LYS  41          HE3       LYS  41   9.542   9.720  -4.658
  305   1HZ   LYS  41          HZ1       LYS  41   8.279   9.654  -6.776
  306   2HZ   LYS  41          HZ2       LYS  41   6.980  10.336  -6.009
  307   3HZ   LYS  41          HZ3       LYS  41   8.382  11.148  -6.190
  308    H    GLU  42           H        GLU  42   6.459   7.492  -8.255
  309    HA   GLU  42           HA       GLU  42   8.685   5.503  -8.279
  310   1HB   GLU  42          HB2       GLU  42   7.189   7.036 -10.433
  311   2HB   GLU  42          HB3       GLU  42   8.857   6.549 -10.695
  312   1HG   GLU  42          HG2       GLU  42   7.521   4.897 -11.686
  313   2HG   GLU  42          HG3       GLU  42   8.275   4.188 -10.264
  314    H    ILE  43           H        ILE  43  10.831   6.301  -8.703
  315    HA   ILE  43           HA       ILE  43  11.189   9.241  -8.744
  316    HB   ILE  43           HB       ILE  43  13.187   9.022  -7.314
  317   1HG1  ILE  43          HG12      ILE  43  12.206   6.210  -6.689
  318   2HG1  ILE  43          HG13      ILE  43  13.652   6.596  -7.623
  319   1HG2  ILE  43          HG21      ILE  43  10.710   8.029  -5.882
  320   2HG2  ILE  43          HG22      ILE  43  12.000   9.075  -5.236
  321   3HG2  ILE  43          HG23      ILE  43  10.917   9.697  -6.481
  322   1HD1  ILE  43          HD11      ILE  43  13.223   7.243  -4.673
  323   2HD1  ILE  43          HD12      ILE  43  14.253   5.981  -5.350
  324   3HD1  ILE  43          HD13      ILE  43  14.654   7.682  -5.630
  325    H    VAL  44           H        VAL  44  13.006   9.928  -9.841
  326    HA   VAL  44           HA       VAL  44  13.881   8.053 -11.994
  327    HB   VAL  44           HB       VAL  44  13.423  11.063 -11.824
  328   1HG1  VAL  44          HG11      VAL  44  13.834  11.173 -14.256
  329   2HG1  VAL  44          HG12      VAL  44  15.290  10.721 -13.365
  330   3HG1  VAL  44          HG13      VAL  44  14.371   9.484 -14.245
  331   1HG2  VAL  44          HG21      VAL  44  11.357   9.631 -11.991
  332   2HG2  VAL  44          HG22      VAL  44  11.587  10.736 -13.342
  333   3HG2  VAL  44          HG23      VAL  44  11.971   9.010 -13.537
  334    H    ARG  45           H        ARG  45  16.019   7.502 -11.972
  335    HA   ARG  45           HA       ARG  45  18.036   9.305 -10.690
  336   1HB   ARG  45          HB2       ARG  45  17.873   6.259 -10.520
  337   2HB   ARG  45          HB3       ARG  45  19.163   7.240  -9.843
  338   1HG   ARG  45          HG2       ARG  45  16.260   7.256  -8.881
  339   2HG   ARG  45          HG3       ARG  45  17.559   6.298  -8.222
  340   1HD   ARG  45          HD2       ARG  45  17.621   8.076  -6.751
  341   2HD   ARG  45          HD3       ARG  45  18.798   8.647  -7.934
  342    HE   ARG  45           HE       ARG  45  16.889   9.877  -9.005
  343   1HH1  ARG  45          HH11      ARG  45  16.844   9.414  -5.454
  344   2HH1  ARG  45          HH12      ARG  45  15.391  10.360  -5.276
  345   1HH2  ARG  45          HH21      ARG  45  15.006  10.982  -8.700
  346   2HH2  ARG  45          HH22      ARG  45  14.391  11.307  -7.083
  347    H    GLY  46           H        GLY  46  20.052   9.300 -11.831
  348   1HA   GLY  46          HA2       GLY  46  20.894   7.191 -13.481
  349   2HA   GLY  46          HA3       GLY  46  20.159   8.413 -14.533
  350    H    TYR  47           H        TYR  47  23.056   7.437 -13.833
  351    HA   TYR  47           HA       TYR  47  24.318  10.066 -13.913
  352   1HB   TYR  47          HB2       TYR  47  25.235   8.183 -11.729
  353   2HB   TYR  47          HB3       TYR  47  25.616   9.880 -11.941
  354    HD1  TYR  47           HD1      TYR  47  24.163  11.599 -10.933
  355    HD2  TYR  47           HD2      TYR  47  23.111   7.431 -10.824
  356    HE1  TYR  47           HE1      TYR  47  22.446  12.088  -9.210
  357    HE2  TYR  47           HE2      TYR  47  21.366   7.902  -9.113
  358    HH   TYR  47           HH       TYR  47  20.869  11.178  -7.750
  359    H    LYS  48           H        LYS  48  26.496   9.856 -14.667
  360    HA   LYS  48           HA       LYS  48  27.049   7.614 -16.295
  361   1HB   LYS  48          HB2       LYS  48  29.193   8.661 -16.723
  362   2HB   LYS  48          HB3       LYS  48  27.905   9.865 -16.721
  363   1HG   LYS  48          HG2       LYS  48  28.573  10.485 -14.350
  364   2HG   LYS  48          HG3       LYS  48  29.935   9.361 -14.495
  365   1HD   LYS  48          HD2       LYS  48  30.799  10.650 -16.426
  366   2HD   LYS  48          HD3       LYS  48  29.423  11.772 -16.294
  367   1HE   LYS  48          HE2       LYS  48  30.134  12.375 -13.995
  368   2HE   LYS  48          HE3       LYS  48  31.495  11.253 -14.111
  369   1HZ   LYS  48          HZ1       LYS  48  31.118  13.652 -15.811
  370   2HZ   LYS  48          HZ2       LYS  48  32.175  13.517 -14.580
  371   3HZ   LYS  48          HZ3       LYS  48  32.377  12.612 -15.918
  372    H    TRP  49           H        TRP  49  27.886   8.110 -12.863
  373    HA   TRP  49           HA       TRP  49  29.944   6.124 -12.855
  374   1HB   TRP  49          HB2       TRP  49  29.587   6.078 -10.380
  375   2HB   TRP  49          HB3       TRP  49  30.051   7.597 -11.099
  376    HD1  TRP  49           HD1      TRP  49  28.820   9.633 -10.337
  377    HE1  TRP  49           HE1      TRP  49  26.763  10.161  -8.934
  378    HE3  TRP  49           HE3      TRP  49  26.886   4.894  -9.904
  379    HZ2  TRP  49           HZ2      TRP  49  24.524   8.716  -7.774
  380    HZ3  TRP  49           HZ3      TRP  49  24.715   4.545  -8.806
  381    HH2  TRP  49           HH2      TRP  49  23.475   6.468  -7.796
  382    H    ALA  50           H        ALA  50  26.420   5.806 -12.829
  383    HA   ALA  50           HA       ALA  50  26.674   2.906 -12.256
  384   1HB   ALA  50          HB1       ALA  50  24.240   4.682 -12.620
  385   2HB   ALA  50          HB2       ALA  50  24.226   2.909 -12.430
  386   3HB   ALA  50          HB3       ALA  50  24.838   3.917 -11.117
  387    H    GLU  51           H        GLU  51  27.958   2.485 -14.174
  388    HA   GLU  51           HA       GLU  51  26.928   3.023 -16.803
  389   1HB   GLU  51          HB2       GLU  51  28.987   1.103 -15.663
  390   2HB   GLU  51          HB3       GLU  51  28.544   1.009 -17.361
  391   1HG   GLU  51          HG2       GLU  51  29.582   3.536 -16.019
  392   2HG   GLU  51          HG3       GLU  51  30.581   2.375 -16.886
  393    H    TYR  52           H        TYR  52  25.720   0.920 -14.397
  394    HA   TYR  52           HA       TYR  52  24.055  -0.448 -16.393
  395   1HB   TYR  52          HB2       TYR  52  24.203  -2.487 -14.747
  396   2HB   TYR  52          HB3       TYR  52  25.309  -2.280 -16.090
  397    HD1  TYR  52           HD1      TYR  52  27.591  -1.369 -15.726
  398    HD2  TYR  52           HD2      TYR  52  25.059  -2.589 -12.474
  399    HE1  TYR  52           HE1      TYR  52  29.593  -1.534 -14.244
  400    HE2  TYR  52           HE2      TYR  52  27.028  -2.777 -10.984
  401    HH   TYR  52           HH       TYR  52  29.341  -2.540 -10.797
  402    H    HIS  53           H        HIS  53  21.998  -0.663 -15.759
  403    HA   HIS  53           HA       HIS  53  20.896   1.159 -13.992
  404   1HB   HIS  53          HB2       HIS  53  19.436  -1.370 -14.802
  405   2HB   HIS  53          HB3       HIS  53  18.800   0.263 -14.631
  406    HD1  HIS  53           HD1      HIS  53  19.346   1.952 -16.778
  407    HD2  HIS  53           HD2      HIS  53  20.655  -2.046 -17.080
  408    HE1  HIS  53           HE1      HIS  53  20.147   1.605 -19.186
  409    H    ALA  54           H        ALA  54  21.765  -2.237 -13.391
  410    HA   ALA  54           HA       ALA  54  20.383  -2.597 -10.945
  411   1HB   ALA  54          HB1       ALA  54  23.029  -3.811 -11.859
  412   2HB   ALA  54          HB2       ALA  54  21.992  -4.420 -10.555
  413   3HB   ALA  54          HB3       ALA  54  21.409  -4.446 -12.231
  414    H    ASP  55           H        ASP  55  23.402  -0.802 -11.658
  415    HA   ASP  55           HA       ASP  55  24.371  -0.851  -8.940
  416   1HB   ASP  55          HB2       ASP  55  25.771  -0.281 -10.989
  417   2HB   ASP  55          HB3       ASP  55  24.941   1.253 -11.057
  418    H    ILE  56           H        ILE  56  22.490   1.556 -10.860
  419    HA   ILE  56           HA       ILE  56  22.169   3.324  -8.615
  420    HB   ILE  56           HB       ILE  56  20.043   3.993 -10.187
  421   1HG1  ILE  56          HG12      ILE  56  22.036   2.765 -12.119
  422   2HG1  ILE  56          HG13      ILE  56  20.300   2.510 -11.982
  423   1HG2  ILE  56          HG21      ILE  56  21.357   5.870 -10.863
  424   2HG2  ILE  56          HG22      ILE  56  21.737   5.422  -9.208
  425   3HG2  ILE  56          HG23      ILE  56  22.867   4.992 -10.513
  426   1HD1  ILE  56          HD11      ILE  56  21.745   4.970 -13.032
  427   2HD1  ILE  56          HD12      ILE  56  20.758   3.816 -13.934
  428   3HD1  ILE  56          HD13      ILE  56  19.988   4.900 -12.751
  429    H    TYR  57           H        TYR  57  20.201   0.590  -9.885
  430    HA   TYR  57           HA       TYR  57  18.008   1.063  -8.143
  431   1HB   TYR  57          HB2       TYR  57  17.812  -0.533  -9.958
  432   2HB   TYR  57          HB3       TYR  57  19.111  -1.520  -9.296
  433    HD1  TYR  57           HD1      TYR  57  15.929   0.011  -7.920
  434    HD2  TYR  57           HD2      TYR  57  18.371  -3.526  -8.331
  435    HE1  TYR  57           HE1      TYR  57  14.378  -1.212  -6.469
  436    HE2  TYR  57           HE2      TYR  57  16.789  -4.782  -6.905
  437    HH   TYR  57           HH       TYR  57  13.929  -3.259  -5.355
  438    H    ASP  58           H        ASP  58  21.015  -0.910  -7.598
  439    HA   ASP  58           HA       ASP  58  20.293  -1.683  -4.963
  440   1HB   ASP  58          HB2       ASP  58  22.015  -2.849  -6.226
  441   2HB   ASP  58          HB3       ASP  58  23.023  -1.398  -6.270
  442    H    LYS  59           H        LYS  59  22.350   1.018  -6.138
  443    HA   LYS  59           HA       LYS  59  23.145   2.178  -3.704
  444   1HB   LYS  59          HB2       LYS  59  23.948   2.823  -5.965
  445   2HB   LYS  59          HB3       LYS  59  22.361   3.450  -6.355
  446   1HG   LYS  59          HG2       LYS  59  23.350   5.411  -5.855
  447   2HG   LYS  59          HG3       LYS  59  22.733   5.029  -4.269
  448   1HD   LYS  59          HD2       LYS  59  24.969   5.873  -4.081
  449   2HD   LYS  59          HD3       LYS  59  24.978   4.157  -3.613
  450   1HE   LYS  59          HE2       LYS  59  25.864   3.581  -5.883
  451   2HE   LYS  59          HE3       LYS  59  25.813   5.289  -6.331
  452   1HZ   LYS  59          HZ1       LYS  59  27.500   4.145  -4.179
  453   2HZ   LYS  59          HZ2       LYS  59  28.023   4.614  -5.647
  454   3HZ   LYS  59          HZ3       LYS  59  27.456   5.725  -4.600
  455    H    VAL  60           H        VAL  60  20.216   2.949  -5.668
  456    HA   VAL  60           HA       VAL  60  19.375   4.822  -3.642
  457    HB   VAL  60           HB       VAL  60  18.145   4.040  -6.279
  458   1HG1  VAL  60          HG11      VAL  60  16.786   6.089  -5.983
  459   2HG1  VAL  60          HG12      VAL  60  16.427   4.936  -4.701
  460   3HG1  VAL  60          HG13      VAL  60  17.467   6.322  -4.350
  461   1HG2  VAL  60          HG21      VAL  60  19.856   6.395  -5.284
  462   2HG2  VAL  60          HG22      VAL  60  20.398   5.125  -6.398
  463   3HG2  VAL  60          HG23      VAL  60  19.187   6.258  -6.906
  464    H    SER  61           H        SER  61  18.321   1.468  -4.489
  465    HA   SER  61           HA       SER  61  16.151   1.519  -2.617
  466   1HB   SER  61          HB2       SER  61  17.902  -0.838  -3.413
  467   2HB   SER  61          HB3       SER  61  16.305  -0.903  -2.630
  468    HG   SER  61           HG       SER  61  17.031  -0.094  -5.214
  469    H    GLY  62           H        GLY  62  19.703   1.156  -2.177
  470   1HA   GLY  62          HA2       GLY  62  19.668   0.374   0.557
  471   2HA   GLY  62          HA3       GLY  62  20.945   1.288  -0.272
  472    H    ASP  63           H        ASP  63  19.838   3.678  -0.946
  473    HA   ASP  63           HA       ASP  63  19.727   5.077   1.516
  474   1HB   ASP  63          HB2       ASP  63  20.447   6.084  -0.611
  475   2HB   ASP  63          HB3       ASP  63  18.789   6.034  -1.209
  476    H    MET  64           H        MET  64  17.074   4.198  -0.772
  477    HA   MET  64           HA       MET  64  14.970   5.371   0.710
  478   1HB   MET  64          HB2       MET  64  14.973   2.898  -1.066
  479   2HB   MET  64          HB3       MET  64  13.536   3.735  -0.497
  480   1HG   MET  64          HG2       MET  64  15.567   5.035  -2.314
  481   2HG   MET  64          HG3       MET  64  14.041   4.316  -2.797
  482   1HE   MET  64          HE1       MET  64  15.731   7.020  -0.557
  483   2HE   MET  64          HE2       MET  64  15.748   7.536  -2.263
  484   3HE   MET  64          HE3       MET  64  14.808   8.444  -1.055
  485    H    GLN  65           H        GLN  65  16.333   2.005   0.994
  486    HA   GLN  65           HA       GLN  65  14.506   1.254   3.051
  487   1HB   GLN  65          HB2       GLN  65  17.182   0.251   2.059
  488   2HB   GLN  65          HB3       GLN  65  16.430  -0.486   3.476
  489   1HG   GLN  65          HG2       GLN  65  14.481  -1.155   2.226
  490   2HG   GLN  65          HG3       GLN  65  15.013  -0.269   0.790
  491   1HE2  GLN  65          HE22      GLN  65  17.272  -0.938  -0.009
  492   2HE2  GLN  65          HE21      GLN  65  17.623  -2.666  -0.046
  493    H    LYS  66           H        LYS  66  17.690   2.940   3.171
  494    HA   LYS  66           HA       LYS  66  17.958   2.863   6.019
  495   1HB   LYS  66          HB2       LYS  66  19.796   3.453   4.590
  496   2HB   LYS  66          HB3       LYS  66  18.889   4.759   3.861
  497   1HG   LYS  66          HG2       LYS  66  18.908   5.950   6.118
  498   2HG   LYS  66          HG3       LYS  66  19.982   4.660   6.690
  499   1HD   LYS  66          HD2       LYS  66  21.363   6.513   5.989
  500   2HD   LYS  66          HD3       LYS  66  21.539   5.222   4.778
  501   1HE   LYS  66          HE2       LYS  66  19.838   6.390   3.340
  502   2HE   LYS  66          HE3       LYS  66  19.724   7.679   4.535
  503   1HZ   LYS  66          HZ1       LYS  66  21.163   8.045   2.569
  504   2HZ   LYS  66          HZ2       LYS  66  21.921   8.348   4.008
  505   3HZ   LYS  66          HZ3       LYS  66  22.250   6.979   3.162
  506    H    GLN  67           H        GLN  67  16.132   5.144   3.829
  507    HA   GLN  67           HA       GLN  67  15.090   6.723   5.990
  508   1HB   GLN  67          HB2       GLN  67  13.519   5.986   3.499
  509   2HB   GLN  67          HB3       GLN  67  13.282   7.364   4.555
  510   1HG   GLN  67          HG2       GLN  67  15.494   8.289   3.815
  511   2HG   GLN  67          HG3       GLN  67  15.647   6.950   2.677
  512   1HE2  GLN  67          HE22      GLN  67  13.063   6.673   1.606
  513   2HE2  GLN  67          HE21      GLN  67  12.702   8.128   0.721
  514    H    GLY  68           H        GLY  68  13.954   3.747   4.453
  515   1HA   GLY  68          HA2       GLY  68  13.348   2.059   6.337
  516   2HA   GLY  68          HA3       GLY  68  12.003   3.164   6.627
  517    H    CYS  69           H        CYS  69  12.569   3.346   3.352
  518    HA   CYS  69           HA       CYS  69   9.993   2.340   2.721
  519   1HB   CYS  69          HB2       CYS  69  12.352   3.038   0.974
  520   2HB   CYS  69          HB3       CYS  69  10.680   2.993   0.429
  521    HG   CYS  69           HG       CYS  69   9.782   4.942   1.755
  522    H    ASP  70           H        ASP  70   9.769   1.000   0.631
  523    HA   ASP  70           HA       ASP  70  11.677  -1.236   0.327
  524   1HB   ASP  70          HB2       ASP  70   9.786  -2.182   1.592
  525   2HB   ASP  70          HB3       ASP  70   8.638  -1.468   0.451
  526    H    CYS  71           H        CYS  71  11.871  -1.741  -1.980
  527    HA   CYS  71           HA       CYS  71  10.473   0.104  -3.808
  528   1HB   CYS  71          HB2       CYS  71  13.525   0.018  -3.583
  529   2HB   CYS  71          HB3       CYS  71  12.544   1.054  -4.623
  530    HG   CYS  71           HG       CYS  71  11.186   1.753  -2.188
  531    H    GLU  72           H        GLU  72  11.085  -0.231  -6.126
  532    HA   GLU  72           HA       GLU  72  12.366  -2.770  -6.854
  533   1HB   GLU  72          HB2       GLU  72  10.119  -3.515  -6.296
  534   2HB   GLU  72          HB3       GLU  72   9.389  -2.197  -7.229
  535   1HG   GLU  72          HG2       GLU  72  10.201  -3.106  -9.303
  536   2HG   GLU  72          HG3       GLU  72  11.205  -4.295  -8.464
  537    H    CYS  73           H        CYS  73  13.467  -2.350  -8.776
  538    HA   CYS  73           HA       CYS  73  13.043   0.094 -10.280
  539   1HB   CYS  73          HB2       CYS  73  14.602  -1.103 -11.916
  540   2HB   CYS  73          HB3       CYS  73  15.259  -0.706 -10.326
  541    HG   CYS  73           HG       CYS  73  13.893  -3.562 -11.267
  542    H    LEU  74           H        LEU  74  11.302   0.377 -11.555
  543    HA   LEU  74           HA       LEU  74   9.593  -1.834 -12.395
  544   1HB   LEU  74          HB2       LEU  74   9.656   1.110 -13.202
  545   2HB   LEU  74          HB3       LEU  74   8.408  -0.043 -13.662
  546    HG   LEU  74           HG       LEU  74   9.017   0.917 -10.837
  547   1HD1  LEU  74          HD11      LEU  74   6.803   1.946 -10.995
  548   2HD1  LEU  74          HD12      LEU  74   7.846   2.529 -12.304
  549   3HD1  LEU  74          HD13      LEU  74   6.593   1.318 -12.641
  550   1HD2  LEU  74          HD21      LEU  74   6.934  -0.351 -10.201
  551   2HD2  LEU  74          HD22      LEU  74   6.961  -1.124 -11.797
  552   3HD2  LEU  74          HD23      LEU  74   8.285  -1.393 -10.637
  553    H    GLY  75           H        GLY  75  12.296  -0.024 -13.754
  554   1HA   GLY  75          HA2       GLY  75  13.029  -1.902 -15.661
  555   2HA   GLY  75          HA3       GLY  75  12.015  -0.719 -16.498
  556    H    GLY  76           H        GLY  76  14.306  -0.432 -17.537
  557   1HA   GLY  76          HA2       GLY  76  15.370   2.049 -16.442
  558   2HA   GLY  76          HA3       GLY  76  16.541   0.722 -16.495
  559    H    GLY  77           H        GLY  77  17.374   2.625 -17.956
  560   1HA   GLY  77          HA2       GLY  77  17.348   1.920 -20.705
  561   2HA   GLY  77          HA3       GLY  77  16.232   3.273 -20.430
  562    H    ARG  78           H        ARG  78  17.811   4.620 -21.692
  563    HA   ARG  78           HA       ARG  78  19.856   5.685 -19.880
  564   1HB   ARG  78          HB2       ARG  78  21.659   5.673 -21.496
  565   2HB   ARG  78          HB3       ARG  78  21.138   4.035 -21.127
  566   1HG   ARG  78          HG2       ARG  78  19.929   3.910 -23.268
  567   2HG   ARG  78          HG3       ARG  78  20.383   5.594 -23.633
  568   1HD   ARG  78          HD2       ARG  78  22.686   5.074 -23.806
  569   2HD   ARG  78          HD3       ARG  78  22.487   3.495 -23.022
  570    HE   ARG  78           HE       ARG  78  21.005   2.952 -25.077
  571   1HH1  ARG  78          HH21      ARG  78  23.989   4.895 -25.318
  572   2HH1  ARG  78          HH22      ARG  78  24.359   4.318 -26.902
  573   1HH2  ARG  78          HH11      ARG  78  21.447   2.239 -26.994
  574   2HH2  ARG  78          HH12      ARG  78  22.833   2.750 -27.947
  575    H    ILE  79           H        ILE  79  20.875   7.639 -20.812
  576    HA   ILE  79           HA       ILE  79  18.774   9.372 -21.962
  577    HB   ILE  79           HB       ILE  79  20.415   9.624 -19.397
  578   1HG1  ILE  79          HG12      ILE  79  17.417   9.613 -19.935
  579   2HG1  ILE  79          HG13      ILE  79  18.332   8.303 -19.211
  580   1HG2  ILE  79          HG21      ILE  79  18.609  11.734 -20.706
  581   2HG2  ILE  79          HG22      ILE  79  19.411  11.904 -19.134
  582   3HG2  ILE  79          HG23      ILE  79  20.384  11.836 -20.587
  583   1HD1  ILE  79          HD11      ILE  79  17.760  11.003 -17.943
  584   2HD1  ILE  79          HD12      ILE  79  17.149   9.419 -17.466
  585   3HD1  ILE  79          HD13      ILE  79  18.873   9.785 -17.266
  586    H    SER  80           H        SER  80  19.675  11.059 -23.269
  587    HA   SER  80           HA       SER  80  22.587  11.351 -23.355
  588   1HB   SER  80          HB2       SER  80  21.072  10.475 -25.852
  589   2HB   SER  80          HB3       SER  80  22.799  10.853 -25.736
  590    HG   SER  80           HG       SER  80  22.325   9.081 -23.868
  591    H    HIS  81           H        HIS  81  23.297  13.093 -24.549
  592    HA   HIS  81           HA       HIS  81  21.773  15.478 -24.488
  593   1HB   HIS  81          HB2       HIS  81  23.697  16.489 -25.477
  594   2HB   HIS  81          HB3       HIS  81  24.283  15.259 -24.371
  595    HD1  HIS  81           HD1      HIS  81  25.072  12.839 -25.739
  596    HD2  HIS  81           HD2      HIS  81  24.580  16.409 -27.927
  597    HE1  HIS  81           HE1      HIS  81  26.255  12.488 -27.967
  598    H    GLN  82           H        GLN  82  21.668  16.928 -26.547
  599    HA   GLN  82           HA       GLN  82  20.629  15.511 -28.928
  600   1HB   GLN  82          HB2       GLN  82  19.121  17.512 -27.174
  601   2HB   GLN  82          HB3       GLN  82  18.591  17.028 -28.779
  602   1HG   GLN  82          HG2       GLN  82  18.927  15.037 -26.477
  603   2HG   GLN  82          HG3       GLN  82  17.444  15.879 -26.827
  604   1HE2  GLN  82          HE22      GLN  82  19.691  13.422 -28.055
  605   2HE2  GLN  82          HE21      GLN  82  18.588  12.781 -29.265
  606    H    SER  83           H        SER  83  20.528  16.933 -30.786
  607    HA   SER  83           HA       SER  83  22.489  18.946 -31.000
  608   1HB   SER  83          HB2       SER  83  19.978  18.659 -32.697
  609   2HB   SER  83          HB3       SER  83  21.544  19.336 -33.181
  610    HG   SER  83           HG       SER  83  21.263  17.179 -33.910
  611    H    GLN  84           H        GLN  84  19.008  19.119 -30.210
  612    HA   GLN  84           HA       GLN  84  19.027  22.032 -29.880
  613   1HB   GLN  84          HB2       GLN  84  16.954  21.015 -30.577
  614   2HB   GLN  84          HB3       GLN  84  16.995  19.846 -29.259
  615   1HG   GLN  84          HG2       GLN  84  15.354  21.697 -28.916
  616   2HG   GLN  84          HG3       GLN  84  16.520  21.547 -27.613
  617   1HE2  GLN  84          HE22      GLN  84  15.354  23.658 -30.198
  618   2HE2  GLN  84          HE21      GLN  84  16.381  25.012 -29.801
  619    H    ASP  85           H        ASP  85  20.622  22.492 -28.398
  620    HA   ASP  85           HA       ASP  85  21.430  20.978 -26.202
  621   1HB   ASP  85          HB2       ASP  85  22.709  22.837 -27.146
  622   2HB   ASP  85          HB3       ASP  85  21.481  23.989 -26.611
  623    H    LYS  86           H        LYS  86  18.615  23.107 -26.446
  624    HA   LYS  86           HA       LYS  86  18.212  23.361 -23.586
  625   1HB   LYS  86          HB2       LYS  86  16.301  23.853 -25.910
  626   2HB   LYS  86          HB3       LYS  86  16.025  24.311 -24.231
  627   1HG   LYS  86          HG2       LYS  86  18.009  25.795 -24.268
  628   2HG   LYS  86          HG3       LYS  86  18.298  25.371 -25.958
  629   1HD   LYS  86          HD2       LYS  86  17.204  27.493 -25.906
  630   2HD   LYS  86          HD3       LYS  86  16.069  26.308 -26.568
  631   1HE   LYS  86          HE2       LYS  86  14.929  26.162 -24.366
  632   2HE   LYS  86          HE3       LYS  86  16.107  27.281 -23.669
  633   1HZ   LYS  86          HZ1       LYS  86  14.194  27.950 -25.833
  634   2HZ   LYS  86          HZ2       LYS  86  14.071  28.416 -24.273
  635   3HZ   LYS  86          HZ3       LYS  86  15.287  28.984 -25.193
  636    H    LYS  87           H        LYS  87  18.066  20.473 -25.254
  637    HA   LYS  87           HA       LYS  87  16.284  19.537 -23.172
  638   1HB   LYS  87          HB2       LYS  87  14.722  18.352 -24.459
  639   2HB   LYS  87          HB3       LYS  87  14.783  19.959 -25.158
  640   1HG   LYS  87          HG2       LYS  87  16.328  18.994 -26.961
  641   2HG   LYS  87          HG3       LYS  87  15.987  17.394 -26.258
  642   1HD   LYS  87          HD2       LYS  87  13.554  17.747 -26.641
  643   2HD   LYS  87          HD3       LYS  87  13.900  19.336 -27.311
  644   1HE   LYS  87          HE2       LYS  87  13.500  17.983 -29.161
  645   2HE   LYS  87          HE3       LYS  87  15.243  18.225 -29.149
  646   1HZ   LYS  87          HZ1       LYS  87  14.397  15.912 -29.596
  647   2HZ   LYS  87          HZ2       LYS  87  15.538  15.962 -28.457
  648   3HZ   LYS  87          HZ3       LYS  87  13.963  15.780 -28.028
  649    H    ILE  88           H        ILE  88  16.221  17.177 -23.016
  650    HA   ILE  88           HA       ILE  88  18.678  15.779 -23.926
  651    HB   ILE  88           HB       ILE  88  17.431  15.252 -21.223
  652   1HG1  ILE  88          HG12      ILE  88  18.070  17.638 -21.066
  653   2HG1  ILE  88          HG13      ILE  88  18.956  16.589 -19.994
  654   1HG2  ILE  88          HG21      ILE  88  19.677  14.374 -20.671
  655   2HG2  ILE  88          HG22      ILE  88  18.946  13.552 -22.050
  656   3HG2  ILE  88          HG23      ILE  88  20.222  14.749 -22.319
  657   1HD1  ILE  88          HD11      ILE  88  20.971  16.733 -21.336
  658   2HD1  ILE  88          HD12      ILE  88  20.114  17.601 -22.624
  659   3HD1  ILE  88          HD13      ILE  88  20.360  18.365 -21.044
  660    H    HIS  89           H        HIS  89  18.162  13.312 -23.919
  661    HA   HIS  89           HA       HIS  89  15.254  12.842 -24.382
  662   1HB   HIS  89          HB2       HIS  89  16.618  13.247 -26.455
  663   2HB   HIS  89          HB3       HIS  89  17.511  11.766 -26.099
  664    HD1  HIS  89           HD1      HIS  89  14.006  13.012 -27.097
  665    HD2  HIS  89           HD2      HIS  89  16.301   9.491 -26.851
  666    HE1  HIS  89           HE1      HIS  89  12.683  11.192 -28.317
  667    H    VAL  90           H        VAL  90  14.527  10.732 -23.925
  668    HA   VAL  90           HA       VAL  90  16.352   9.002 -22.316
  669    HB   VAL  90           HB       VAL  90  13.391   9.502 -21.809
  670   1HG1  VAL  90          HG11      VAL  90  14.355   7.401 -20.918
  671   2HG1  VAL  90          HG12      VAL  90  15.567   8.323 -20.023
  672   3HG1  VAL  90          HG13      VAL  90  13.845   8.495 -19.626
  673   1HG2  VAL  90          HG21      VAL  90  15.724  10.952 -20.501
  674   2HG2  VAL  90          HG22      VAL  90  14.372  11.662 -21.404
  675   3HG2  VAL  90          HG23      VAL  90  14.074  10.900 -19.845
  676    H    TYR  91           H        TYR  91  16.351   6.833 -23.004
  677    HA   TYR  91           HA       TYR  91  14.167   5.740 -24.608
  678   1HB   TYR  91          HB2       TYR  91  15.436   5.574 -26.672
  679   2HB   TYR  91          HB3       TYR  91  15.304   7.249 -26.225
  680    HD1  TYR  91           HD1      TYR  91  17.577   4.559 -27.018
  681    HD2  TYR  91           HD2      TYR  91  17.328   8.371 -25.014
  682    HE1  TYR  91           HE1      TYR  91  20.034   4.771 -27.122
  683    HE2  TYR  91           HE2      TYR  91  19.765   8.572 -25.068
  684    HH   TYR  91           HH       TYR  91  21.756   7.637 -25.740
  685    H    GLY  92           H        GLY  92  15.253   3.615 -25.777
  686   1HA   GLY  92          HA2       GLY  92  16.551   1.743 -25.648
  687   2HA   GLY  92          HA3       GLY  92  17.476   2.469 -24.326
  688    H    TYR  93           H        TYR  93  17.375   0.168 -23.544
  689    HA   TYR  93           HA       TYR  93  15.205  -0.084 -21.603
  690   1HB   TYR  93          HB2       TYR  93  14.718  -2.436 -22.220
  691   2HB   TYR  93          HB3       TYR  93  14.165  -1.284 -23.416
  692    HD1  TYR  93           HD1      TYR  93  15.104  -1.227 -25.672
  693    HD2  TYR  93           HD2      TYR  93  16.570  -4.009 -22.715
  694    HE1  TYR  93           HE1      TYR  93  16.230  -2.514 -27.452
  695    HE2  TYR  93           HE2      TYR  93  17.715  -5.299 -24.489
  696    HH   TYR  93           HH       TYR  93  17.559  -4.367 -27.960
  697    H    SER  94           H        SER  94  15.820  -1.328 -19.797
  698    HA   SER  94           HA       SER  94  18.672  -1.936 -19.568
  699   1HB   SER  94          HB2       SER  94  18.161  -2.660 -17.325
  700   2HB   SER  94          HB3       SER  94  17.382  -1.107 -17.630
  701    HG   SER  94           HG       SER  94  15.408  -2.352 -18.021
  702    H    MET  95           H        MET  95  19.633  -3.977 -19.796
  703    HA   MET  95           HA       MET  95  18.170  -6.079 -21.114
  704   1HB   MET  95          HB2       MET  95  20.634  -5.712 -21.288
  705   2HB   MET  95          HB3       MET  95  20.818  -6.210 -19.597
  706   1HG   MET  95          HG2       MET  95  19.913  -8.443 -20.158
  707   2HG   MET  95          HG3       MET  95  19.663  -7.929 -21.832
  708   1HE   MET  95          HE1       MET  95  22.546 -10.565 -22.122
  709   2HE   MET  95          HE2       MET  95  21.176 -10.596 -20.991
  710   3HE   MET  95          HE3       MET  95  20.927 -10.085 -22.677
  711    H    ALA  96           H        ALA  96  18.963  -5.341 -17.716
  712    HA   ALA  96           HA       ALA  96  18.229  -7.913 -16.699
  713   1HB   ALA  96          HB1       ALA  96  18.636  -5.235 -15.303
  714   2HB   ALA  96          HB2       ALA  96  18.524  -6.813 -14.498
  715   3HB   ALA  96          HB3       ALA  96  19.877  -6.478 -15.595
  716    H    TYR  97           H        TYR  97  16.362  -4.834 -17.040
  717    HA   TYR  97           HA       TYR  97  14.029  -6.212 -15.793
  718   1HB   TYR  97          HB2       TYR  97  14.750  -3.302 -15.403
  719   2HB   TYR  97          HB3       TYR  97  13.556  -4.246 -14.532
  720    HD1  TYR  97           HD1      TYR  97  14.538  -6.355 -13.198
  721    HD2  TYR  97           HD2      TYR  97  16.840  -2.920 -14.427
  722    HE1  TYR  97           HE1      TYR  97  16.241  -6.888 -11.478
  723    HE2  TYR  97           HE2      TYR  97  18.542  -3.431 -12.705
  724    HH   TYR  97           HH       TYR  97  19.196  -4.903 -11.001
  725    H    GLY  98           H        GLY  98  15.050  -4.852 -18.695
  726   1HA   GLY  98          HA2       GLY  98  13.769  -4.520 -20.588
  727   2HA   GLY  98          HA3       GLY  98  12.288  -4.583 -19.626
  728    HA   PRO  99           HA       PRO  99  13.256  -0.120 -20.716
  729   1HB   PRO  99          HB2       PRO  99  10.873   0.488 -21.947
  730   2HB   PRO  99          HB3       PRO  99  12.281  -0.183 -22.811
  731   1HG   PRO  99          HG2       PRO  99   9.847  -1.649 -21.774
  732   2HG   PRO  99          HG3       PRO  99  10.668  -1.837 -23.355
  733   1HD   PRO  99          HD2       PRO  99  11.088  -3.535 -21.245
  734   2HD   PRO  99          HD3       PRO  99  12.382  -3.138 -22.413
  735    H    ALA 100           H        ALA 100  12.730   1.452 -19.295
  736    HA   ALA 100           HA       ALA 100  10.755   1.027 -17.178
  737   1HB   ALA 100          HB1       ALA 100  12.894   2.309 -16.835
  738   2HB   ALA 100          HB2       ALA 100  12.351   3.458 -18.062
  739   3HB   ALA 100          HB3       ALA 100  11.472   3.314 -16.531
  740    H    GLN 101           H        GLN 101   9.145   2.837 -16.785
  741    HA   GLN 101           HA       GLN 101   7.599   3.540 -19.197
  742   1HB   GLN 101          HB2       GLN 101   7.175   4.006 -16.209
  743   2HB   GLN 101          HB3       GLN 101   6.138   4.697 -17.465
  744   1HG   GLN 101          HG2       GLN 101   5.519   2.502 -18.279
  745   2HG   GLN 101          HG3       GLN 101   6.620   1.713 -17.139
  746   1HE2  GLN 101          HE22      GLN 101   3.656   3.768 -17.328
  747   2HE2  GLN 101          HE21      GLN 101   3.021   3.274 -15.780
  748    H    HIS 102           H        HIS 102   9.643   4.648 -20.011
  749    HA   HIS 102           HA       HIS 102  10.863   6.809 -18.775
  750   1HB   HIS 102          HB2       HIS 102  10.377   6.456 -21.745
  751   2HB   HIS 102          HB3       HIS 102  11.632   7.455 -21.019
  752    HD1  HIS 102           HD1      HIS 102  11.165   4.007 -22.331
  753    HD2  HIS 102           HD2      HIS 102  13.349   5.886 -19.269
  754    HE1  HIS 102           HE1      HIS 102  12.996   2.380 -21.625
  755    H    ALA 103           H        ALA 103   7.669   6.822 -20.198
  756    HA   ALA 103           HA       ALA 103   7.226   9.564 -20.641
  757   1HB   ALA 103          HB1       ALA 103   5.585   7.797 -21.159
  758   2HB   ALA 103          HB2       ALA 103   5.381   7.450 -19.426
  759   3HB   ALA 103          HB3       ALA 103   4.869   9.018 -20.092
  760    H    ILE 104           H        ILE 104   7.401   7.704 -17.580
  761    HA   ILE 104           HA       ILE 104   6.437   9.762 -15.832
  762    HB   ILE 104           HB       ILE 104   8.319   7.410 -15.328
  763   1HG1  ILE 104          HG12      ILE 104   6.050   6.734 -16.177
  764   2HG1  ILE 104          HG13      ILE 104   6.441   6.135 -14.578
  765   1HG2  ILE 104          HG21      ILE 104   6.889   9.236 -13.372
  766   2HG2  ILE 104          HG22      ILE 104   7.535   7.639 -12.929
  767   3HG2  ILE 104          HG23      ILE 104   8.626   8.902 -13.511
  768   1HD1  ILE 104          HD11      ILE 104   5.005   7.748 -13.515
  769   2HD1  ILE 104          HD12      ILE 104   4.717   8.601 -15.057
  770   3HD1  ILE 104          HD13      ILE 104   4.100   6.947 -14.807
  771    H    SER 105           H        SER 105   9.733   8.833 -17.015
  772    HA   SER 105           HA       SER 105  11.201  10.667 -15.504
  773   1HB   SER 105          HB2       SER 105  11.790   9.847 -18.370
  774   2HB   SER 105          HB3       SER 105  12.924  10.308 -17.107
  775    HG   SER 105           HG       SER 105  12.783   8.042 -17.337
  776    H    THR 106           H        THR 106   9.871  11.056 -18.866
  777    HA   THR 106           HA       THR 106  10.679  13.756 -19.050
  778    HB   THR 106           HB       THR 106   8.805  13.830 -20.856
  779    HG1  THR 106           HG1      THR 106   7.690  11.935 -20.053
  780   1HG2  THR 106          HG21      THR 106  11.209  13.528 -21.347
  781   2HG2  THR 106          HG22      THR 106  11.069  11.788 -21.023
  782   3HG2  THR 106          HG23      THR 106  10.204  12.518 -22.394
  783    H    GLU 107           H        GLU 107   7.563  12.416 -17.777
  784    HA   GLU 107           HA       GLU 107   6.318  14.942 -17.456
  785   1HB   GLU 107          HB2       GLU 107   5.961  12.224 -16.113
  786   2HB   GLU 107          HB3       GLU 107   5.063  13.643 -15.570
  787   1HG   GLU 107          HG2       GLU 107   4.170  14.001 -17.840
  788   2HG   GLU 107          HG3       GLU 107   5.050  12.598 -18.431
  789    H    LYS 108           H        LYS 108   8.308  13.030 -15.124
  790    HA   LYS 108           HA       LYS 108   8.007  15.008 -13.046
  791   1HB   LYS 108          HB2       LYS 108   9.938  12.670 -13.396
  792   2HB   LYS 108          HB3       LYS 108   9.831  13.691 -11.948
  793   1HG   LYS 108          HG2       LYS 108   7.493  13.115 -11.624
  794   2HG   LYS 108          HG3       LYS 108   7.515  12.046 -13.032
  795   1HD   LYS 108          HD2       LYS 108   9.141  10.579 -12.008
  796   2HD   LYS 108          HD3       LYS 108   9.412  11.680 -10.661
  797   1HE   LYS 108          HE2       LYS 108   6.775  10.264 -11.269
  798   2HE   LYS 108          HE3       LYS 108   7.963   9.748 -10.060
  799   1HZ   LYS 108          HZ1       LYS 108   7.640  11.847  -8.909
  800   2HZ   LYS 108          HZ2       LYS 108   6.540  12.344 -10.007
  801   3HZ   LYS 108          HZ3       LYS 108   6.193  11.063  -9.055
  802    H    ILE 109           H        ILE 109  10.645  14.361 -15.415
  803    HA   ILE 109           HA       ILE 109  12.416  16.351 -14.360
  804    HB   ILE 109           HB       ILE 109  12.137  15.089 -17.104
  805   1HG1  ILE 109          HG12      ILE 109  14.321  14.641 -15.006
  806   2HG1  ILE 109          HG13      ILE 109  12.866  13.657 -15.067
  807   1HG2  ILE 109          HG21      ILE 109  14.346  15.957 -17.684
  808   2HG2  ILE 109          HG22      ILE 109  13.298  17.315 -17.311
  809   3HG2  ILE 109          HG23      ILE 109  14.499  16.751 -16.125
  810   1HD1  ILE 109          HD11      ILE 109  14.993  13.860 -17.235
  811   2HD1  ILE 109          HD12      ILE 109  14.617  12.475 -16.206
  812   3HD1  ILE 109          HD13      ILE 109  13.446  13.003 -17.430
  813    H    LYS 110           H        LYS 110   9.797  16.543 -16.932
  814    HA   LYS 110           HA       LYS 110  10.272  19.321 -17.411
  815   1HB   LYS 110          HB2       LYS 110   7.802  17.585 -17.785
  816   2HB   LYS 110          HB3       LYS 110   7.835  19.303 -18.205
  817   1HG   LYS 110          HG2       LYS 110   9.655  18.993 -19.773
  818   2HG   LYS 110          HG3       LYS 110   9.822  17.290 -19.325
  819   1HD   LYS 110          HD2       LYS 110   7.550  16.816 -20.174
  820   2HD   LYS 110          HD3       LYS 110   7.353  18.531 -20.617
  821   1HE   LYS 110          HE2       LYS 110   9.328  18.359 -22.123
  822   2HE   LYS 110          HE3       LYS 110   9.526  16.661 -21.679
  823   1HZ   LYS 110          HZ1       LYS 110   8.382  16.865 -23.763
  824   2HZ   LYS 110          HZ2       LYS 110   7.339  16.229 -22.680
  825   3HZ   LYS 110          HZ3       LYS 110   7.198  17.797 -23.126
  826    H    ALA 111           H        ALA 111   8.241  17.699 -14.902
  827    HA   ALA 111           HA       ALA 111   7.080  20.114 -13.936
  828   1HB   ALA 111          HB1       ALA 111   6.246  17.861 -13.347
  829   2HB   ALA 111          HB2       ALA 111   7.721  17.557 -12.399
  830   3HB   ALA 111          HB3       ALA 111   6.594  18.833 -11.904
  831    H    LYS 112           H        LYS 112  10.147  18.451 -13.043
  832    HA   LYS 112           HA       LYS 112  10.720  20.407 -10.958
  833   1HB   LYS 112          HB2       LYS 112  12.251  18.046 -12.113
  834   2HB   LYS 112          HB3       LYS 112  12.885  19.021 -10.797
  835   1HG   LYS 112          HG2       LYS 112  10.145  17.729 -10.526
  836   2HG   LYS 112          HG3       LYS 112  11.600  16.768 -10.356
  837   1HD   LYS 112          HD2       LYS 112  10.845  17.415  -8.185
  838   2HD   LYS 112          HD3       LYS 112  12.405  18.173  -8.517
  839   1HE   LYS 112          HE2       LYS 112  11.287  20.318  -8.994
  840   2HE   LYS 112          HE3       LYS 112   9.698  19.562  -8.787
  841   1HZ   LYS 112          HZ1       LYS 112  10.269  19.168  -6.462
  842   2HZ   LYS 112          HZ2       LYS 112  11.740  19.858  -6.657
  843   3HZ   LYS 112          HZ3       LYS 112  10.389  20.753  -6.805
  844    H    TYR 113           H        TYR 113  11.438  20.238 -14.324
  845    HA   TYR 113           HA       TYR 113  12.809  21.227 -15.716
  846   1HB   TYR 113          HB2       TYR 113  12.491  23.607 -13.869
  847   2HB   TYR 113          HB3       TYR 113  13.165  23.670 -15.487
  848    HD1  TYR 113           HD1      TYR 113  10.102  23.761 -13.580
  849    HD2  TYR 113           HD2      TYR 113  11.765  22.975 -17.486
  850    HE1  TYR 113           HE1      TYR 113   7.880  24.159 -14.602
  851    HE2  TYR 113           HE2      TYR 113   9.555  23.370 -18.518
  852    HH   TYR 113           HH       TYR 113   7.316  23.921 -18.147
  853    HA   PRO 114           HA       PRO 114  16.856  20.710 -13.312
  854   1HB   PRO 114          HB2       PRO 114  17.025  18.288 -15.084
  855   2HB   PRO 114          HB3       PRO 114  17.595  18.493 -13.399
  856   1HG   PRO 114          HG2       PRO 114  15.353  17.060 -13.950
  857   2HG   PRO 114          HG3       PRO 114  15.406  18.163 -12.539
  858   1HD   PRO 114          HD2       PRO 114  14.219  18.720 -15.280
  859   2HD   PRO 114          HD3       PRO 114  13.528  18.976 -13.658
  860    H    ASP 115           H        ASP 115  15.491  20.425 -16.536
  861    HA   ASP 115           HA       ASP 115  17.403  22.302 -17.650
  862   1HB   ASP 115          HB2       ASP 115  18.329  20.061 -18.298
  863   2HB   ASP 115          HB3       ASP 115  16.779  19.661 -19.042
  864    H    TYR 116           H        TYR 116  16.393  23.011 -19.845
  865    HA   TYR 116           HA       TYR 116  13.910  24.154 -19.238
  866   1HB   TYR 116          HB2       TYR 116  15.481  25.191 -20.718
  867   2HB   TYR 116          HB3       TYR 116  15.457  23.833 -21.823
  868    HD1  TYR 116           HD1      TYR 116  13.744  23.589 -23.514
  869    HD2  TYR 116           HD2      TYR 116  13.515  26.759 -20.595
  870    HE1  TYR 116           HE1      TYR 116  11.973  24.686 -24.854
  871    HE2  TYR 116           HE2      TYR 116  11.740  27.862 -21.920
  872    HH   TYR 116           HH       TYR 116  10.416  27.769 -23.839
  873    H    GLU 117           H        GLU 117  14.553  21.267 -21.348
  874    HA   GLU 117           HA       GLU 117  11.821  20.356 -20.915
  875   1HB   GLU 117          HB2       GLU 117  11.825  22.013 -22.910
  876   2HB   GLU 117          HB3       GLU 117  12.765  20.800 -23.783
  877   1HG   GLU 117          HG2       GLU 117  10.893  19.217 -23.605
  878   2HG   GLU 117          HG3       GLU 117  10.030  20.320 -22.531
  879    H    VAL 118           H        VAL 118  11.628  18.143 -22.217
  880    HA   VAL 118           HA       VAL 118  14.077  16.825 -22.926
  881    HB   VAL 118           HB       VAL 118  13.473  14.825 -21.422
  882   1HG1  VAL 118          HG11      VAL 118  15.491  16.361 -21.214
  883   2HG1  VAL 118          HG12      VAL 118  14.641  17.152 -19.881
  884   3HG1  VAL 118          HG13      VAL 118  15.040  15.419 -19.788
  885   1HG2  VAL 118          HG21      VAL 118  12.239  16.942 -19.615
  886   2HG2  VAL 118          HG22      VAL 118  11.307  15.751 -20.548
  887   3HG2  VAL 118          HG23      VAL 118  12.445  15.205 -19.308
  888    H    THR 119           H        THR 119  13.499  14.537 -23.716
  889    HA   THR 119           HA       THR 119  10.695  14.232 -24.579
  890    HB   THR 119           HB       THR 119  11.663  13.680 -26.934
  891    HG1  THR 119           HG1      THR 119  13.761  15.162 -25.752
  892   1HG2  THR 119          HG21      THR 119  11.396  15.959 -27.730
  893   2HG2  THR 119          HG22      THR 119  10.162  15.586 -26.519
  894   3HG2  THR 119          HG23      THR 119  11.551  16.597 -26.078
  895    H    TRP 120           H        TRP 120  10.507  11.934 -25.694
  896    HA   TRP 120           HA       TRP 120  12.641  10.131 -24.928
  897   1HB   TRP 120          HB2       TRP 120  11.325   8.599 -23.659
  898   2HB   TRP 120          HB3       TRP 120  11.140  10.161 -22.892
  899    HD1  TRP 120           HD1      TRP 120   8.678  11.424 -23.830
  900    HE1  TRP 120           HE1      TRP 120   6.361  10.370 -23.840
  901    HE3  TRP 120           HE3      TRP 120  10.063   6.503 -23.986
  902    HZ2  TRP 120           HZ2      TRP 120   5.230   7.691 -23.831
  903    HZ3  TRP 120           HZ3      TRP 120   8.349   4.721 -23.868
  904    HH2  TRP 120           HH2      TRP 120   5.930   5.299 -23.814
  905    H    ALA 121           H        ALA 121  12.212   7.914 -25.769
  906    HA   ALA 121           HA       ALA 121  10.033   7.626 -27.674
  907   1HB   ALA 121          HB1       ALA 121  11.536   6.833 -29.505
  908   2HB   ALA 121          HB2       ALA 121  11.831   8.545 -29.138
  909   3HB   ALA 121          HB3       ALA 121  12.956   7.298 -28.546
  910    H    ASN 122           H        ASN 122   9.463   5.455 -27.822
  911    HA   ASN 122           HA       ASN 122  10.683   3.620 -25.866
  912   1HB   ASN 122          HB2       ASN 122   8.213   3.928 -25.989
  913   2HB   ASN 122          HB3       ASN 122   8.231   3.308 -27.638
  914   1HD2  ASN 122          HD22      ASN 122   6.959   1.415 -27.172
  915   2HD2  ASN 122          HD21      ASN 122   7.556   0.121 -26.169
  916    H    ASP 123           H        ASP 123  12.614   4.033 -27.566
  917    HA   ASP 123           HA       ASP 123  12.781   1.746 -29.409
  918   1HB   ASP 123          HB2       ASP 123  11.712   3.857 -30.559
  919   2HB   ASP 123          HB3       ASP 123  13.340   4.521 -30.494
  920    H    GLY 124           H        GLY 124  15.172   2.299 -30.623
  921   1HA   GLY 124          HA2       GLY 124  17.434   2.185 -30.235
  922   2HA   GLY 124          HA3       GLY 124  17.220   3.202 -28.808
  923    H    TYR 125           H        TYR 125  18.827   1.807 -27.793
  924    HA   TYR 125           HA       TYR 125  17.605  -0.364 -26.306
  925   1HB   TYR 125          HB2       TYR 125  19.483  -1.857 -26.552
  926   2HB   TYR 125          HB3       TYR 125  18.746  -1.593 -28.119
  927    HD1  TYR 125           HD1      TYR 125  21.767  -1.170 -26.076
  928    HD2  TYR 125           HD2      TYR 125  19.921  -0.202 -29.853
  929    HE1  TYR 125           HE1      TYR 125  23.983  -0.543 -26.991
  930    HE2  TYR 125           HE2      TYR 125  22.127   0.436 -30.777
  931    HH   TYR 125           HH       TYR 125  24.412   0.642 -30.361
  Start of MODEL   10
    1   1H    MET   1          H1        MET   1  17.241  11.280  11.816
    2   2H    MET   1          H2        MET   1  16.049  11.012  12.902
    3   3H    MET   1          H3        MET   1  15.820  10.622  11.330
    4    HA   MET   1           HA       MET   1  16.204  13.323  12.408
    5   1HB   MET   1          HB2       MET   1  17.115  13.092  10.131
    6   2HB   MET   1          HB3       MET   1  15.549  12.535   9.538
    7   1HG   MET   1          HG2       MET   1  14.541  14.713  10.204
    8   2HG   MET   1          HG3       MET   1  16.110  15.243  10.824
    9   1HE   MET   1          HE1       MET   1  14.307  16.915   8.798
   10   2HE   MET   1          HE2       MET   1  15.879  17.470   9.422
   11   3HE   MET   1          HE3       MET   1  15.550  17.512   7.676
   12    H    ALA   2           H        ALA   2  13.634  11.939  10.236
   13    HA   ALA   2           HA       ALA   2  11.615  12.053  12.332
   14   1HB   ALA   2          HB1       ALA   2  11.543  13.954   9.929
   15   2HB   ALA   2          HB2       ALA   2  10.230  13.712  11.099
   16   3HB   ALA   2          HB3       ALA   2  11.752  14.445  11.626
   17    H    VAL   3           H        VAL   3   9.459  11.408  11.280
   18    HA   VAL   3           HA       VAL   3   9.796   9.219   9.397
   19    HB   VAL   3           HB       VAL   3   7.225  10.551  10.363
   20   1HG1  VAL   3          HG11      VAL   3   6.197   8.381   9.820
   21   2HG1  VAL   3          HG12      VAL   3   6.949   9.071   8.384
   22   3HG1  VAL   3          HG13      VAL   3   7.759   7.752   9.255
   23   1HG2  VAL   3          HG21      VAL   3   7.103   8.698  12.025
   24   2HG2  VAL   3          HG22      VAL   3   8.760   8.224  11.601
   25   3HG2  VAL   3          HG23      VAL   3   8.436   9.801  12.350
   26    H    ALA   4           H        ALA   4  10.423   9.808   7.364
   27    HA   ALA   4           HA       ALA   4   9.577  12.227   6.025
   28   1HB   ALA   4          HB1       ALA   4  11.699  11.017   5.498
   29   2HB   ALA   4          HB2       ALA   4  10.747   9.669   4.837
   30   3HB   ALA   4          HB3       ALA   4  10.680  11.265   4.074
   31    H    ASP   5           H        ASP   5   8.587  11.722   3.632
   32    HA   ASP   5           HA       ASP   5   6.366   9.818   3.677
   33   1HB   ASP   5          HB2       ASP   5   5.365  11.801   4.773
   34   2HB   ASP   5          HB3       ASP   5   5.948  12.836   3.468
   35    H    LEU   6           H        LEU   6   5.517   9.608   1.422
   36    HA   LEU   6           HA       LEU   6   7.593   9.638  -0.485
   37   1HB   LEU   6          HB2       LEU   6   4.571   9.471  -0.861
   38   2HB   LEU   6          HB3       LEU   6   5.755   9.129  -2.098
   39    HG   LEU   6           HG       LEU   6   5.173   7.539   0.402
   40   1HD1  LEU   6          HD11      LEU   6   4.792   5.742  -1.254
   41   2HD1  LEU   6          HD12      LEU   6   3.789   7.150  -1.614
   42   3HD1  LEU   6          HD13      LEU   6   5.261   6.841  -2.563
   43   1HD2  LEU   6          HD21      LEU   6   7.565   7.469   0.361
   44   2HD2  LEU   6          HD22      LEU   6   6.991   5.952  -0.318
   45   3HD2  LEU   6          HD23      LEU   6   7.600   7.211  -1.404
   46    H    ALA   7           H        ALA   7   5.205  12.195   0.262
   47    HA   ALA   7           HA       ALA   7   5.700  13.678  -2.134
   48   1HB   ALA   7          HB1       ALA   7   4.708  14.622   0.588
   49   2HB   ALA   7          HB2       ALA   7   4.586  15.515  -0.940
   50   3HB   ALA   7          HB3       ALA   7   3.685  14.001  -0.733
   51    H    LEU   8           H        LEU   8   7.472  13.272   0.869
   52    HA   LEU   8           HA       LEU   8   9.038  15.757   0.536
   53   1HB   LEU   8          HB2       LEU   8   9.175  13.561   2.645
   54   2HB   LEU   8          HB3       LEU   8  10.117  15.043   2.650
   55    HG   LEU   8           HG       LEU   8   7.075  14.915   2.859
   56   1HD1  LEU   8          HD11      LEU   8   7.432  15.575   5.208
   57   2HD1  LEU   8          HD12      LEU   8   8.183  14.015   4.856
   58   3HD1  LEU   8          HD13      LEU   8   9.192  15.474   4.979
   59   1HD2  LEU   8          HD21      LEU   8   7.256  17.313   3.507
   60   2HD2  LEU   8          HD22      LEU   8   8.986  17.282   3.102
   61   3HD2  LEU   8          HD23      LEU   8   7.758  17.034   1.839
   62    H    ILE   9           H        ILE   9   9.329  12.223   0.098
   63    HA   ILE   9           HA       ILE   9  12.119  12.117  -0.382
   64    HB   ILE   9           HB       ILE   9   9.806  10.486  -1.492
   65   1HG1  ILE   9          HG12      ILE   9  11.882   9.949   0.694
   66   2HG1  ILE   9          HG13      ILE   9  10.190  10.362   0.958
   67   1HG2  ILE   9          HG21      ILE   9  12.787   9.883  -1.742
   68   2HG2  ILE   9          HG22      ILE   9  11.467   8.801  -2.225
   69   3HG2  ILE   9          HG23      ILE   9  11.705  10.312  -3.082
   70   1HD1  ILE   9          HD11      ILE   9  10.275   8.048   1.267
   71   2HD1  ILE   9          HD12      ILE   9   9.600   8.257  -0.365
   72   3HD1  ILE   9          HD13      ILE   9  11.302   7.785  -0.151
   73    HA   PRO  10           HA       PRO  10  12.074  14.809  -3.963
   74   1HB   PRO  10          HB2       PRO  10  14.607  14.380  -4.970
   75   2HB   PRO  10          HB3       PRO  10  14.266  15.358  -3.509
   76   1HG   PRO  10          HG2       PRO  10  15.125  12.456  -3.655
   77   2HG   PRO  10          HG3       PRO  10  15.771  13.752  -2.600
   78   1HD   PRO  10          HD2       PRO  10  13.926  11.962  -1.712
   79   2HD   PRO  10          HD3       PRO  10  13.877  13.672  -1.187
   80    H    ASP  11           H        ASP  11  11.605  14.604  -6.139
   81    HA   ASP  11           HA       ASP  11  10.849  11.933  -7.024
   82   1HB   ASP  11          HB2       ASP  11  10.581  14.734  -8.164
   83   2HB   ASP  11          HB3       ASP  11  10.141  13.320  -9.093
   84    H    VAL  12           H        VAL  12  13.227  14.411  -8.108
   85    HA   VAL  12           HA       VAL  12  14.397  12.423 -10.000
   86    HB   VAL  12           HB       VAL  12  13.921  15.385 -10.536
   87   1HG1  VAL  12          HG11      VAL  12  14.806  13.145 -12.413
   88   2HG1  VAL  12          HG12      VAL  12  14.533  14.851 -12.840
   89   3HG1  VAL  12          HG13      VAL  12  15.852  14.429 -11.760
   90   1HG2  VAL  12          HG21      VAL  12  11.738  14.369 -10.580
   91   2HG2  VAL  12          HG22      VAL  12  12.257  14.632 -12.239
   92   3HG2  VAL  12          HG23      VAL  12  12.326  12.997 -11.548
   93    H    ASP  13           H        ASP  13  16.594  12.369  -9.990
   94    HA   ASP  13           HA       ASP  13  18.178  14.674  -9.295
   95   1HB   ASP  13          HB2       ASP  13  17.824  13.660  -7.029
   96   2HB   ASP  13          HB3       ASP  13  18.528  12.154  -7.609
   97    H    ILE  14           H        ILE  14  19.433  14.614 -11.120
   98    HA   ILE  14           HA       ILE  14  20.471  12.053 -12.108
   99    HB   ILE  14           HB       ILE  14  19.762  12.586 -14.417
  100   1HG1  ILE  14          HG12      ILE  14  17.767  14.577 -13.245
  101   2HG1  ILE  14          HG13      ILE  14  19.263  15.043 -14.060
  102   1HG2  ILE  14          HG21      ILE  14  17.559  11.617 -14.262
  103   2HG2  ILE  14          HG22      ILE  14  18.553  10.943 -12.974
  104   3HG2  ILE  14          HG23      ILE  14  17.356  12.193 -12.592
  105   1HD1  ILE  14          HD11      ILE  14  16.935  13.538 -15.308
  106   2HD1  ILE  14          HD12      ILE  14  17.435  15.206 -15.618
  107   3HD1  ILE  14          HD13      ILE  14  18.485  13.866 -16.120
  108    H    ASP  15           H        ASP  15  22.200  12.305 -13.570
  109    HA   ASP  15           HA       ASP  15  23.919  14.619 -13.183
  110   1HB   ASP  15          HB2       ASP  15  24.838  12.385 -13.466
  111   2HB   ASP  15          HB3       ASP  15  24.045  12.214 -15.039
  112    H    SER  16           H        SER  16  24.857  15.679 -15.335
  113    HA   SER  16           HA       SER  16  22.968  15.873 -17.553
  114   1HB   SER  16          HB2       SER  16  23.690  18.352 -15.927
  115   2HB   SER  16          HB3       SER  16  22.787  18.339 -17.453
  116    HG   SER  16           HG       SER  16  21.722  16.602 -15.699
  117    H    ASP  17           H        ASP  17  25.921  15.022 -16.905
  118    HA   ASP  17           HA       ASP  17  27.576  17.062 -18.092
  119   1HB   ASP  17          HB2       ASP  17  28.418  15.404 -16.465
  120   2HB   ASP  17          HB3       ASP  17  28.136  14.111 -17.642
  121    H    GLY  18           H        GLY  18  25.782  14.279 -19.404
  122   1HA   GLY  18          HA2       GLY  18  25.558  15.417 -21.904
  123   2HA   GLY  18          HA3       GLY  18  26.966  14.362 -22.053
  124    H    VAL  19           H        VAL  19  26.567  12.045 -21.066
  125    HA   VAL  19           HA       VAL  19  23.880  11.018 -21.759
  126    HB   VAL  19           HB       VAL  19  26.497   9.993 -22.961
  127   1HG1  VAL  19          HG11      VAL  19  25.048   8.585 -24.382
  128   2HG1  VAL  19          HG12      VAL  19  24.810   8.214 -22.671
  129   3HG1  VAL  19          HG13      VAL  19  23.614   9.200 -23.538
  130   1HG2  VAL  19          HG21      VAL  19  26.012  12.080 -24.098
  131   2HG2  VAL  19          HG22      VAL  19  25.585  10.749 -25.170
  132   3HG2  VAL  19          HG23      VAL  19  24.308  11.625 -24.307
  133    H    PHE  20           H        PHE  20  23.347   9.258 -20.424
  134    HA   PHE  20           HA       PHE  20  25.331   7.724 -18.976
  135   1HB   PHE  20          HB2       PHE  20  24.496   8.446 -16.714
  136   2HB   PHE  20          HB3       PHE  20  25.499   9.611 -17.538
  137    HD1  PHE  20           HD1      PHE  20  24.590  11.745 -18.392
  138    HD2  PHE  20           HD2      PHE  20  22.102   8.919 -16.296
  139    HE1  PHE  20           HE1      PHE  20  22.842  13.482 -18.109
  140    HE2  PHE  20           HE2      PHE  20  20.397  10.681 -15.946
  141    HZ   PHE  20           HZ       PHE  20  20.750  12.955 -16.879
  142    H    LYS  21           H        LYS  21  24.177   6.173 -17.433
  143    HA   LYS  21           HA       LYS  21  21.656   5.282 -18.713
  144   1HB   LYS  21          HB2       LYS  21  23.580   3.973 -16.711
  145   2HB   LYS  21          HB3       LYS  21  21.993   3.322 -17.051
  146   1HG   LYS  21          HG2       LYS  21  23.421   2.056 -18.348
  147   2HG   LYS  21          HG3       LYS  21  22.623   3.136 -19.491
  148   1HD   LYS  21          HD2       LYS  21  24.642   4.560 -19.580
  149   2HD   LYS  21          HD3       LYS  21  25.429   3.566 -18.348
  150   1HE   LYS  21          HE2       LYS  21  24.592   2.672 -21.150
  151   2HE   LYS  21          HE3       LYS  21  26.230   3.074 -20.631
  152   1HZ   LYS  21          HZ1       LYS  21  26.047   1.208 -19.013
  153   2HZ   LYS  21          HZ2       LYS  21  24.625   0.772 -19.705
  154   3HZ   LYS  21          HZ3       LYS  21  25.998   0.731 -20.583
  155    H    TYR  22           H        TYR  22  19.832   4.667 -17.361
  156    HA   TYR  22           HA       TYR  22  19.669   6.014 -14.749
  157   1HB   TYR  22          HB2       TYR  22  18.397   7.695 -15.447
  158   2HB   TYR  22          HB3       TYR  22  18.708   7.237 -17.098
  159    HD1  TYR  22           HD1      TYR  22  17.165   5.296 -18.036
  160    HD2  TYR  22           HD2      TYR  22  16.166   7.786 -14.675
  161    HE1  TYR  22           HE1      TYR  22  14.796   4.658 -18.283
  162    HE2  TYR  22           HE2      TYR  22  13.767   7.229 -14.974
  163    HH   TYR  22           HH       TYR  22  12.198   6.163 -16.300
  164    H    VAL  23           H        VAL  23  17.508   5.457 -13.716
  165    HA   VAL  23           HA       VAL  23  16.302   2.954 -14.594
  166    HB   VAL  23           HB       VAL  23  18.292   2.366 -13.145
  167   1HG1  VAL  23          HG11      VAL  23  18.141   2.655 -10.716
  168   2HG1  VAL  23          HG12      VAL  23  18.177   4.233 -11.531
  169   3HG1  VAL  23          HG13      VAL  23  16.659   3.607 -10.894
  170   1HG2  VAL  23          HG21      VAL  23  16.473   0.788 -13.439
  171   2HG2  VAL  23          HG22      VAL  23  17.156   0.684 -11.816
  172   3HG2  VAL  23          HG23      VAL  23  15.594   1.493 -12.065
  173    H    LEU  24           H        LEU  24  14.219   2.660 -13.560
  174    HA   LEU  24           HA       LEU  24  13.093   5.121 -12.299
  175   1HB   LEU  24          HB2       LEU  24  12.320   4.649 -14.654
  176   2HB   LEU  24          HB3       LEU  24  11.754   3.075 -14.125
  177    HG   LEU  24           HG       LEU  24  10.166   4.280 -12.521
  178   1HD1  LEU  24          HD11      LEU  24  11.011   6.727 -14.149
  179   2HD1  LEU  24          HD12      LEU  24   9.674   6.644 -12.980
  180   3HD1  LEU  24          HD13      LEU  24  11.331   6.475 -12.420
  181   1HD2  LEU  24          HD21      LEU  24   9.884   4.912 -15.492
  182   2HD2  LEU  24          HD22      LEU  24   9.420   3.385 -14.691
  183   3HD2  LEU  24          HD23      LEU  24   8.569   4.882 -14.291
  184    H    ILE  25           H        ILE  25  12.596   4.601 -10.132
  185    HA   ILE  25           HA       ILE  25  11.987   1.740  -9.609
  186    HB   ILE  25           HB       ILE  25  13.517   1.404  -8.167
  187   1HG1  ILE  25          HG12      ILE  25  13.499   4.168  -6.946
  188   2HG1  ILE  25          HG13      ILE  25  12.447   2.854  -6.429
  189   1HG2  ILE  25          HG21      ILE  25  14.888   2.427  -9.947
  190   2HG2  ILE  25          HG22      ILE  25  14.893   3.964  -9.032
  191   3HG2  ILE  25          HG23      ILE  25  15.666   2.518  -8.371
  192   1HD1  ILE  25          HD11      ILE  25  15.462   2.901  -6.214
  193   2HD1  ILE  25          HD12      ILE  25  14.260   2.899  -4.917
  194   3HD1  ILE  25          HD13      ILE  25  14.453   1.459  -5.937
  195    H    ARG  26           H        ARG  26  10.355   1.245  -8.347
  196    HA   ARG  26           HA       ARG  26   8.504   3.380  -7.548
  197   1HB   ARG  26          HB2       ARG  26   7.664   1.314  -8.565
  198   2HB   ARG  26          HB3       ARG  26   8.378   0.339  -7.279
  199   1HG   ARG  26          HG2       ARG  26   6.858   1.148  -5.643
  200   2HG   ARG  26          HG3       ARG  26   6.385   2.546  -6.624
  201   1HD   ARG  26          HD2       ARG  26   5.792  -0.315  -7.461
  202   2HD   ARG  26          HD3       ARG  26   4.682   0.666  -6.480
  203    HE   ARG  26           HE       ARG  26   5.183   2.359  -8.537
  204   1HH1  ARG  26          HH12      ARG  26   4.071  -1.033  -8.597
  205   2HH1  ARG  26          HH11      ARG  26   3.195  -0.824 -10.068
  206   1HH2  ARG  26          HH21      ARG  26   4.103   2.632 -10.307
  207   2HH2  ARG  26          HH22      ARG  26   3.196   1.366 -11.122
  208    H    VAL  27           H        VAL  27   8.014   3.815  -5.383
  209    HA   VAL  27           HA       VAL  27   9.681   2.637  -3.226
  210    HB   VAL  27           HB       VAL  27   8.935   5.572  -3.545
  211   1HG1  VAL  27          HG11      VAL  27   9.320   4.824  -1.230
  212   2HG1  VAL  27          HG12      VAL  27  10.963   4.313  -1.682
  213   3HG1  VAL  27          HG13      VAL  27  10.500   6.022  -1.761
  214   1HG2  VAL  27          HG21      VAL  27  11.646   4.401  -4.219
  215   2HG2  VAL  27          HG22      VAL  27  10.505   5.185  -5.338
  216   3HG2  VAL  27          HG23      VAL  27  11.256   6.128  -4.062
  217    H    HIS  28           H        HIS  28   8.275   1.888  -1.656
  218    HA   HIS  28           HA       HIS  28   5.410   2.704  -1.753
  219   1HB   HIS  28          HB2       HIS  28   6.837   0.523  -0.184
  220   2HB   HIS  28          HB3       HIS  28   5.095   0.782  -0.270
  221    HD1  HIS  28           HD1      HIS  28   4.267   0.744  -3.156
  222    HD2  HIS  28           HD2      HIS  28   7.631  -1.378  -1.764
  223    HE1  HIS  28           HE1      HIS  28   4.692  -1.112  -4.832
  224    H    SER  29           H        SER  29   4.359   3.618   0.097
  225    HA   SER  29           HA       SER  29   5.883   5.248   1.837
  226   1HB   SER  29          HB2       SER  29   3.047   4.274   2.279
  227   2HB   SER  29          HB3       SER  29   3.805   5.722   2.946
  228    HG   SER  29           HG       SER  29   2.756   6.503   1.251
  229    H    ALA  30           H        ALA  30   7.403   4.137   3.072
  230    HA   ALA  30           HA       ALA  30   6.291   3.003   5.500
  231   1HB   ALA  30          HB1       ALA  30   7.653   0.974   5.511
  232   2HB   ALA  30          HB2       ALA  30   6.605   0.985   4.093
  233   3HB   ALA  30          HB3       ALA  30   8.324   1.372   3.923
  234    HA   PRO  31           HA       PRO  31  10.650   5.301   5.772
  235   1HB   PRO  31          HB2       PRO  31   8.822   7.606   6.468
  236   2HB   PRO  31          HB3       PRO  31  10.542   7.643   5.953
  237   1HG   PRO  31          HG2       PRO  31   8.600   8.086   4.119
  238   2HG   PRO  31          HG3       PRO  31   9.956   6.988   3.720
  239   1HD   PRO  31          HD2       PRO  31   7.157   6.284   4.612
  240   2HD   PRO  31          HD3       PRO  31   8.169   5.566   3.328
  241    H    ARG  32           H        ARG  32  11.557   5.162   7.716
  242    HA   ARG  32           HA       ARG  32  11.840   4.337   9.798
  243   1HB   ARG  32          HB2       ARG  32   9.883   6.562  10.428
  244   2HB   ARG  32          HB3       ARG  32  11.057   5.892  11.553
  245   1HG   ARG  32          HG2       ARG  32  11.811   7.395   8.991
  246   2HG   ARG  32          HG3       ARG  32  11.655   8.107  10.586
  247   1HD   ARG  32          HD2       ARG  32  13.952   7.774  10.240
  248   2HD   ARG  32          HD3       ARG  32  13.443   6.607  11.447
  249    HE   ARG  32           HE       ARG  32  13.920   5.992   8.534
  250   1HH1  ARG  32          HH21      ARG  32  14.019   4.880  11.913
  251   2HH1  ARG  32          HH22      ARG  32  14.935   3.465  11.561
  252   1HH2  ARG  32          HH11      ARG  32  15.360   4.236   8.125
  253   2HH2  ARG  32          HH12      ARG  32  15.621   3.044   9.348
  254    H    SER  33           H        SER  33   9.616   2.962   8.359
  255    HA   SER  33           HA       SER  33   7.956   1.525   8.681
  256   1HB   SER  33          HB2       SER  33   9.213   1.043  11.407
  257   2HB   SER  33          HB3       SER  33   8.223  -0.084  10.466
  258    HG   SER  33           HG       SER  33  10.467  -0.494  10.247
  259    H    GLY  34           H        GLY  34   7.327   4.293   9.366
  260   1HA   GLY  34          HA2       GLY  34   5.012   3.863  11.201
  261   2HA   GLY  34          HA3       GLY  34   6.194   5.144  11.518
  262    H    ALA  35           H        ALA  35   5.455   4.384   8.177
  263    HA   ALA  35           HA       ALA  35   4.546   7.011   7.574
  264   1HB   ALA  35          HB1       ALA  35   4.190   4.418   6.000
  265   2HB   ALA  35          HB2       ALA  35   4.049   6.064   5.353
  266   3HB   ALA  35          HB3       ALA  35   5.616   5.485   5.946
  267    HA   PRO  36           HA       PRO  36   0.275   6.624   8.723
  268   1HB   PRO  36          HB2       PRO  36  -0.934   8.607   7.291
  269   2HB   PRO  36          HB3       PRO  36   0.277   8.942   8.564
  270   1HG   PRO  36          HG2       PRO  36   0.740   8.748   5.567
  271   2HG   PRO  36          HG3       PRO  36   1.245  10.064   6.678
  272   1HD   PRO  36          HD2       PRO  36   2.941   8.054   5.972
  273   2HD   PRO  36          HD3       PRO  36   2.950   8.737   7.625
  274    H    ALA  37           H        ALA  37   1.252   5.672   5.585
  275    HA   ALA  37           HA       ALA  37  -1.270   4.332   4.960
  276   1HB   ALA  37          HB1       ALA  37  -0.066   6.467   3.128
  277   2HB   ALA  37          HB2       ALA  37  -1.500   5.469   2.787
  278   3HB   ALA  37          HB3       ALA  37  -1.549   6.672   4.086
  279    H    ALA  38           H        ALA  38  -0.814   3.399   2.545
  280    HA   ALA  38           HA       ALA  38   1.990   2.500   2.229
  281   1HB   ALA  38          HB1       ALA  38  -0.413   0.636   2.224
  282   2HB   ALA  38          HB2       ALA  38   1.273   0.208   1.842
  283   3HB   ALA  38          HB3       ALA  38   0.843   0.717   3.485
  284    H    GLU  39           H        GLU  39   1.112   4.576   0.901
  285    HA   GLU  39           HA       GLU  39   0.022   3.814  -1.708
  286   1HB   GLU  39          HB2       GLU  39   1.250   6.432  -0.718
  287   2HB   GLU  39          HB3       GLU  39   0.455   6.199  -2.270
  288   1HG   GLU  39          HG2       GLU  39  -0.860   6.044   0.469
  289   2HG   GLU  39          HG3       GLU  39  -1.027   7.332  -0.710
  290    H    SER  40           H        SER  40   1.617   5.010  -3.539
  291    HA   SER  40           HA       SER  40   4.398   4.248  -3.069
  292   1HB   SER  40          HB2       SER  40   2.975   3.242  -5.546
  293   2HB   SER  40          HB3       SER  40   4.612   2.868  -4.997
  294    HG   SER  40           HG       SER  40   2.151   2.071  -3.818
  295    H    LYS  41           H        LYS  41   5.826   5.105  -4.705
  296    HA   LYS  41           HA       LYS  41   4.779   7.093  -6.616
  297   1HB   LYS  41          HB2       LYS  41   6.388   8.779  -6.005
  298   2HB   LYS  41          HB3       LYS  41   5.470   8.400  -4.548
  299   1HG   LYS  41          HG2       LYS  41   7.302   6.997  -3.722
  300   2HG   LYS  41          HG3       LYS  41   8.222   7.222  -5.203
  301   1HD   LYS  41          HD2       LYS  41   7.759   9.278  -3.047
  302   2HD   LYS  41          HD3       LYS  41   9.232   8.454  -3.512
  303   1HE   LYS  41          HE2       LYS  41   9.702  10.314  -4.634
  304   2HE   LYS  41          HE3       LYS  41   8.707   9.587  -5.893
  305   1HZ   LYS  41          HZ1       LYS  41   8.053  11.856  -5.529
  306   2HZ   LYS  41          HZ2       LYS  41   6.827  10.940  -4.962
  307   3HZ   LYS  41          HZ3       LYS  41   7.859  11.627  -3.895
  308    H    GLU  42           H        GLU  42   6.584   7.610  -8.210
  309    HA   GLU  42           HA       GLU  42   8.630   5.445  -8.389
  310   1HB   GLU  42          HB2       GLU  42   7.274   7.079 -10.577
  311   2HB   GLU  42          HB3       GLU  42   8.742   6.133 -10.806
  312   1HG   GLU  42          HG2       GLU  42   7.001   4.785 -11.616
  313   2HG   GLU  42          HG3       GLU  42   7.529   4.082 -10.088
  314    H    ILE  43           H        ILE  43  10.772   6.206  -8.636
  315    HA   ILE  43           HA       ILE  43  11.165   9.152  -8.816
  316    HB   ILE  43           HB       ILE  43  13.149   8.917  -7.399
  317   1HG1  ILE  43          HG12      ILE  43  12.172   6.119  -6.731
  318   2HG1  ILE  43          HG13      ILE  43  13.568   6.475  -7.748
  319   1HG2  ILE  43          HG21      ILE  43  10.923   9.631  -6.540
  320   2HG2  ILE  43          HG22      ILE  43  10.637   7.963  -5.981
  321   3HG2  ILE  43          HG23      ILE  43  11.957   8.940  -5.290
  322   1HD1  ILE  43          HD11      ILE  43  14.711   7.566  -5.869
  323   2HD1  ILE  43          HD12      ILE  43  13.323   7.230  -4.808
  324   3HD1  ILE  43          HD13      ILE  43  14.254   5.894  -5.484
  325    H    VAL  44           H        VAL  44  13.082   9.810  -9.805
  326    HA   VAL  44           HA       VAL  44  13.943   7.986 -12.011
  327    HB   VAL  44           HB       VAL  44  13.500  11.004 -11.847
  328   1HG1  VAL  44          HG11      VAL  44  15.258  10.466 -13.497
  329   2HG1  VAL  44          HG12      VAL  44  14.148   9.344 -14.311
  330   3HG1  VAL  44          HG13      VAL  44  13.792  11.079 -14.271
  331   1HG2  VAL  44          HG21      VAL  44  11.829   8.974 -13.377
  332   2HG2  VAL  44          HG22      VAL  44  11.343   9.731 -11.843
  333   3HG2  VAL  44          HG23      VAL  44  11.571  10.731 -13.265
  334    H    ARG  45           H        ARG  45  16.114   7.471 -11.867
  335    HA   ARG  45           HA       ARG  45  18.008   9.485 -10.770
  336   1HB   ARG  45          HB2       ARG  45  17.907   6.524 -10.010
  337   2HB   ARG  45          HB3       ARG  45  19.216   7.620  -9.589
  338   1HG   ARG  45          HG2       ARG  45  16.340   7.813  -8.604
  339   2HG   ARG  45          HG3       ARG  45  17.705   7.209  -7.699
  340   1HD   ARG  45          HD2       ARG  45  18.250   9.213  -6.950
  341   2HD   ARG  45          HD3       ARG  45  18.444   9.819  -8.589
  342    HE   ARG  45           HE       ARG  45  16.153  10.416  -8.690
  343   1HH1  ARG  45          HH11      ARG  45  17.234   9.667  -5.376
  344   2HH1  ARG  45          HH12      ARG  45  15.800  10.267  -4.631
  345   1HH2  ARG  45          HH21      ARG  45  14.233  11.140  -7.701
  346   2HH2  ARG  45          HH22      ARG  45  14.063  11.160  -5.988
  347    H    GLY  46           H        GLY  46  20.083   9.371 -11.769
  348   1HA   GLY  46          HA2       GLY  46  21.026   7.193 -13.277
  349   2HA   GLY  46          HA3       GLY  46  20.239   8.318 -14.396
  350    H    TYR  47           H        TYR  47  23.180   7.532 -13.692
  351    HA   TYR  47           HA       TYR  47  24.315  10.218 -13.822
  352   1HB   TYR  47          HB2       TYR  47  25.197   8.379 -11.571
  353   2HB   TYR  47          HB3       TYR  47  25.644  10.053 -11.827
  354    HD1  TYR  47           HD1      TYR  47  24.159  11.882 -11.034
  355    HD2  TYR  47           HD2      TYR  47  23.087   7.731 -10.573
  356    HE1  TYR  47           HE1      TYR  47  22.496  12.506  -9.302
  357    HE2  TYR  47           HE2      TYR  47  21.425   8.339  -8.843
  358    HH   TYR  47           HH       TYR  47  20.606  10.041  -7.494
  359    H    LYS  48           H        LYS  48  26.620  10.091 -14.432
  360    HA   LYS  48           HA       LYS  48  27.292   7.828 -16.030
  361   1HB   LYS  48          HB2       LYS  48  28.950  10.153 -14.959
  362   2HB   LYS  48          HB3       LYS  48  29.661   8.841 -15.905
  363   1HG   LYS  48          HG2       LYS  48  27.994   9.263 -17.721
  364   2HG   LYS  48          HG3       LYS  48  27.445  10.704 -16.841
  365   1HD   LYS  48          HD2       LYS  48  29.632  11.747 -17.066
  366   2HD   LYS  48          HD3       LYS  48  30.332  10.243 -17.711
  367   1HE   LYS  48          HE2       LYS  48  28.766  10.357 -19.645
  368   2HE   LYS  48          HE3       LYS  48  28.143  11.896 -19.040
  369   1HZ   LYS  48          HZ1       LYS  48  30.979  11.447 -19.789
  370   2HZ   LYS  48          HZ2       LYS  48  29.874  12.132 -20.771
  371   3HZ   LYS  48          HZ3       LYS  48  30.288  12.888 -19.384
  372    H    TRP  49           H        TRP  49  27.980   8.454 -12.562
  373    HA   TRP  49           HA       TRP  49  30.007   6.468 -12.395
  374   1HB   TRP  49          HB2       TRP  49  29.535   6.463  -9.951
  375   2HB   TRP  49          HB3       TRP  49  29.970   7.994 -10.667
  376    HD1  TRP  49           HD1      TRP  49  28.583   9.990 -10.027
  377    HE1  TRP  49           HE1      TRP  49  26.443  10.425  -8.715
  378    HE3  TRP  49           HE3      TRP  49  26.915   5.159  -9.558
  379    HZ2  TRP  49           HZ2      TRP  49  24.280   8.867  -7.555
  380    HZ3  TRP  49           HZ3      TRP  49  24.758   4.692  -8.484
  381    HH2  TRP  49           HH2      TRP  49  23.409   6.536  -7.483
  382    H    ALA  50           H        ALA  50  26.467   6.119 -12.450
  383    HA   ALA  50           HA       ALA  50  26.718   3.227 -11.914
  384   1HB   ALA  50          HB1       ALA  50  24.298   4.959 -12.492
  385   2HB   ALA  50          HB2       ALA  50  24.301   3.189 -12.274
  386   3HB   ALA  50          HB3       ALA  50  24.797   4.227 -10.935
  387    H    GLU  51           H        GLU  51  28.232   2.966 -13.689
  388    HA   GLU  51           HA       GLU  51  27.541   3.407 -16.414
  389   1HB   GLU  51          HB2       GLU  51  29.334   1.287 -15.141
  390   2HB   GLU  51          HB3       GLU  51  29.264   1.648 -16.872
  391   1HG   GLU  51          HG2       GLU  51  29.949   4.003 -16.380
  392   2HG   GLU  51          HG3       GLU  51  30.121   3.574 -14.674
  393    H    TYR  52           H        TYR  52  26.142   1.222 -14.153
  394    HA   TYR  52           HA       TYR  52  24.653  -0.141 -16.281
  395   1HB   TYR  52          HB2       TYR  52  24.741  -2.204 -14.672
  396   2HB   TYR  52          HB3       TYR  52  25.955  -1.943 -15.910
  397    HD1  TYR  52           HD1      TYR  52  28.159  -0.921 -15.306
  398    HD2  TYR  52           HD2      TYR  52  25.400  -2.380 -12.353
  399    HE1  TYR  52           HE1      TYR  52  30.025  -1.067 -13.659
  400    HE2  TYR  52           HE2      TYR  52  27.236  -2.544 -10.692
  401    HH   TYR  52           HH       TYR  52  30.627  -1.630 -11.475
  402    H    HIS  53           H        HIS  53  22.541  -0.455 -15.732
  403    HA   HIS  53           HA       HIS  53  21.325   1.331 -13.986
  404   1HB   HIS  53          HB2       HIS  53  19.975  -1.225 -14.902
  405   2HB   HIS  53          HB3       HIS  53  19.264   0.368 -14.671
  406    HD1  HIS  53           HD1      HIS  53  19.504   2.073 -16.797
  407    HD2  HIS  53           HD2      HIS  53  21.416  -1.674 -17.156
  408    HE1  HIS  53           HE1      HIS  53  20.317   1.869 -19.219
  409    H    ALA  54           H        ALA  54  22.278  -2.047 -13.386
  410    HA   ALA  54           HA       ALA  54  20.788  -2.439 -11.001
  411   1HB   ALA  54          HB1       ALA  54  21.864  -4.284 -12.243
  412   2HB   ALA  54          HB2       ALA  54  23.470  -3.641 -11.821
  413   3HB   ALA  54          HB3       ALA  54  22.396  -4.253 -10.550
  414    H    ASP  55           H        ASP  55  23.779  -0.577 -11.578
  415    HA   ASP  55           HA       ASP  55  24.655  -0.617  -8.837
  416   1HB   ASP  55          HB2       ASP  55  26.050   0.087 -10.874
  417   2HB   ASP  55          HB3       ASP  55  25.160   1.586 -10.866
  418    H    ILE  56           H        ILE  56  22.671   1.696 -10.761
  419    HA   ILE  56           HA       ILE  56  22.182   3.399  -8.486
  420    HB   ILE  56           HB       ILE  56  20.085   4.005 -10.086
  421   1HG1  ILE  56          HG12      ILE  56  22.115   2.854 -12.012
  422   2HG1  ILE  56          HG13      ILE  56  20.373   2.606 -11.907
  423   1HG2  ILE  56          HG21      ILE  56  22.859   5.159 -10.309
  424   2HG2  ILE  56          HG22      ILE  56  21.321   5.966 -10.704
  425   3HG2  ILE  56          HG23      ILE  56  21.656   5.500  -9.046
  426   1HD1  ILE  56          HD11      ILE  56  20.888   3.944 -13.831
  427   2HD1  ILE  56          HD12      ILE  56  20.080   4.996 -12.646
  428   3HD1  ILE  56          HD13      ILE  56  21.845   5.084 -12.875
  429    H    TYR  57           H        TYR  57  20.344   0.593  -9.925
  430    HA   TYR  57           HA       TYR  57  18.127   0.986  -8.187
  431   1HB   TYR  57          HB2       TYR  57  17.935  -0.628  -9.974
  432   2HB   TYR  57          HB3       TYR  57  19.240  -1.605  -9.297
  433    HD1  TYR  57           HD1      TYR  57  16.065  -0.013  -7.943
  434    HD2  TYR  57           HD2      TYR  57  18.510  -3.561  -8.214
  435    HE1  TYR  57           HE1      TYR  57  14.536  -1.171  -6.399
  436    HE2  TYR  57           HE2      TYR  57  16.956  -4.746  -6.701
  437    HH   TYR  57           HH       TYR  57  14.085  -3.175  -5.221
  438    H    ASP  58           H        ASP  58  21.180  -0.927  -7.626
  439    HA   ASP  58           HA       ASP  58  20.452  -1.800  -5.040
  440   1HB   ASP  58          HB2       ASP  58  22.303  -2.789  -6.270
  441   2HB   ASP  58          HB3       ASP  58  23.198  -1.266  -6.229
  442    H    LYS  59           H        LYS  59  22.381   1.088  -6.016
  443    HA   LYS  59           HA       LYS  59  22.888   2.059  -3.400
  444   1HB   LYS  59          HB2       LYS  59  24.138   2.789  -5.287
  445   2HB   LYS  59          HB3       LYS  59  22.714   3.417  -6.114
  446   1HG   LYS  59          HG2       LYS  59  22.646   5.359  -4.917
  447   2HG   LYS  59          HG3       LYS  59  23.271   4.619  -3.424
  448   1HD   LYS  59          HD2       LYS  59  25.517   4.565  -4.258
  449   2HD   LYS  59          HD3       LYS  59  25.000   5.051  -5.878
  450   1HE   LYS  59          HE2       LYS  59  24.167   7.228  -4.910
  451   2HE   LYS  59          HE3       LYS  59  24.834   6.745  -3.344
  452   1HZ   LYS  59          HZ1       LYS  59  27.032   6.690  -4.387
  453   2HZ   LYS  59          HZ2       LYS  59  26.401   7.140  -5.831
  454   3HZ   LYS  59          HZ3       LYS  59  26.361   8.164  -4.561
  455    H    VAL  60           H        VAL  60  20.232   2.911  -5.692
  456    HA   VAL  60           HA       VAL  60  19.171   4.864  -3.870
  457    HB   VAL  60           HB       VAL  60  18.010   3.675  -6.402
  458   1HG1  VAL  60          HG11      VAL  60  17.278   6.228  -4.880
  459   2HG1  VAL  60          HG12      VAL  60  16.553   5.651  -6.409
  460   3HG1  VAL  60          HG13      VAL  60  16.305   4.763  -4.897
  461   1HG2  VAL  60          HG21      VAL  60  20.290   4.959  -6.549
  462   2HG2  VAL  60          HG22      VAL  60  18.978   5.491  -7.567
  463   3HG2  VAL  60          HG23      VAL  60  19.373   6.385  -6.067
  464    H    SER  61           H        SER  61  18.251   1.440  -4.674
  465    HA   SER  61           HA       SER  61  15.952   1.402  -2.999
  466   1HB   SER  61          HB2       SER  61  16.627  -0.328  -4.706
  467   2HB   SER  61          HB3       SER  61  17.860  -0.903  -3.564
  468    HG   SER  61           HG       SER  61  15.922  -2.089  -3.407
  469    H    GLY  62           H        GLY  62  19.477   0.883  -2.301
  470   1HA   GLY  62          HA2       GLY  62  19.284   0.239   0.425
  471   2HA   GLY  62          HA3       GLY  62  20.630   1.086  -0.357
  472    H    ASP  63           H        ASP  63  19.641   3.529  -1.075
  473    HA   ASP  63           HA       ASP  63  19.497   4.984   1.364
  474   1HB   ASP  63          HB2       ASP  63  20.341   5.957  -0.704
  475   2HB   ASP  63          HB3       ASP  63  18.771   5.779  -1.487
  476    H    MET  64           H        MET  64  16.837   4.175  -0.996
  477    HA   MET  64           HA       MET  64  14.751   5.363   0.520
  478   1HB   MET  64          HB2       MET  64  14.743   2.919  -1.285
  479   2HB   MET  64          HB3       MET  64  13.298   3.736  -0.704
  480   1HG   MET  64          HG2       MET  64  15.373   5.079  -2.467
  481   2HG   MET  64          HG3       MET  64  13.862   4.374  -3.008
  482   1HE   MET  64          HE1       MET  64  15.582   7.530  -2.323
  483   2HE   MET  64          HE2       MET  64  14.539   8.515  -1.274
  484   3HE   MET  64          HE3       MET  64  15.407   7.126  -0.600
  485    H    GLN  65           H        GLN  65  16.062   1.979   0.745
  486    HA   GLN  65           HA       GLN  65  14.220   1.194   2.770
  487   1HB   GLN  65          HB2       GLN  65  16.946   0.240   1.834
  488   2HB   GLN  65          HB3       GLN  65  16.133  -0.553   3.181
  489   1HG   GLN  65          HG2       GLN  65  14.341  -0.305   0.854
  490   2HG   GLN  65          HG3       GLN  65  15.845  -1.101   0.424
  491   1HE2  GLN  65          HE22      GLN  65  12.960  -1.343   2.483
  492   2HE2  GLN  65          HE21      GLN  65  13.181  -3.035   2.900
  493    H    LYS  66           H        LYS  66  17.372   2.852   2.923
  494    HA   LYS  66           HA       LYS  66  17.592   2.832   5.785
  495   1HB   LYS  66          HB2       LYS  66  19.500   3.213   4.506
  496   2HB   LYS  66          HB3       LYS  66  18.784   4.454   3.531
  497   1HG   LYS  66          HG2       LYS  66  19.355   4.825   6.493
  498   2HG   LYS  66          HG3       LYS  66  20.544   5.102   5.217
  499   1HD   LYS  66          HD2       LYS  66  17.950   6.668   5.495
  500   2HD   LYS  66          HD3       LYS  66  19.570   7.206   5.952
  501   1HE   LYS  66          HE2       LYS  66  20.316   6.875   3.583
  502   2HE   LYS  66          HE3       LYS  66  18.661   6.440   3.149
  503   1HZ   LYS  66          HZ1       LYS  66  19.079   8.641   2.600
  504   2HZ   LYS  66          HZ2       LYS  66  17.967   8.673   3.825
  505   3HZ   LYS  66          HZ3       LYS  66  19.540   9.080   4.120
  506    H    GLN  67           H        GLN  67  15.866   5.071   3.505
  507    HA   GLN  67           HA       GLN  67  14.899   6.818   5.558
  508   1HB   GLN  67          HB2       GLN  67  13.418   6.005   3.031
  509   2HB   GLN  67          HB3       GLN  67  13.029   7.351   4.071
  510   1HG   GLN  67          HG2       GLN  67  15.722   7.114   2.687
  511   2HG   GLN  67          HG3       GLN  67  14.325   7.850   1.914
  512   1HE2  GLN  67          HE22      GLN  67  13.346   9.775   3.028
  513   2HE2  GLN  67          HE21      GLN  67  14.403  10.807   3.962
  514    H    GLY  68           H        GLY  68  13.680   3.791   4.209
  515   1HA   GLY  68          HA2       GLY  68  13.061   2.216   6.181
  516   2HA   GLY  68          HA3       GLY  68  11.729   3.350   6.413
  517    H    CYS  69           H        CYS  69  12.315   3.344   3.130
  518    HA   CYS  69           HA       CYS  69   9.720   2.232   2.582
  519   1HB   CYS  69          HB2       CYS  69  11.999   3.327   0.907
  520   2HB   CYS  69          HB3       CYS  69  10.450   2.859   0.213
  521    HG   CYS  69           HG       CYS  69   8.973   4.479   1.292
  522    H    ASP  70           H        ASP  70   9.599   0.888   0.467
  523    HA   ASP  70           HA       ASP  70  11.634  -1.236   0.244
  524   1HB   ASP  70          HB2       ASP  70   9.813  -2.293   1.498
  525   2HB   ASP  70          HB3       ASP  70   8.616  -1.653   0.365
  526    H    CYS  71           H        CYS  71  11.920  -1.752  -2.005
  527    HA   CYS  71           HA       CYS  71  10.506   0.016  -3.911
  528   1HB   CYS  71          HB2       CYS  71  13.520  -0.073  -3.364
  529   2HB   CYS  71          HB3       CYS  71  12.769   0.725  -4.758
  530    HG   CYS  71           HG       CYS  71  11.385   2.386  -3.589
  531    H    GLU  72           H        GLU  72  11.153  -0.334  -6.173
  532    HA   GLU  72           HA       GLU  72  12.477  -2.850  -6.885
  533   1HB   GLU  72          HB2       GLU  72  10.229  -3.647  -6.406
  534   2HB   GLU  72          HB3       GLU  72   9.497  -2.321  -7.323
  535   1HG   GLU  72          HG2       GLU  72  10.353  -3.170  -9.400
  536   2HG   GLU  72          HG3       GLU  72  11.364  -4.363  -8.573
  537    H    CYS  73           H        CYS  73  13.565  -2.433  -8.815
  538    HA   CYS  73           HA       CYS  73  13.213   0.060 -10.261
  539   1HB   CYS  73          HB2       CYS  73  14.706  -1.225 -11.944
  540   2HB   CYS  73          HB3       CYS  73  15.401  -0.731 -10.400
  541    HG   CYS  73           HG       CYS  73  16.173  -3.186 -11.277
  542    H    LEU  74           H        LEU  74  11.420   0.377 -11.499
  543    HA   LEU  74           HA       LEU  74   9.692  -1.795 -12.387
  544   1HB   LEU  74          HB2       LEU  74   9.808   1.161 -13.144
  545   2HB   LEU  74          HB3       LEU  74   8.558   0.032 -13.651
  546    HG   LEU  74           HG       LEU  74   9.110   0.954 -10.802
  547   1HD1  LEU  74          HD11      LEU  74   7.966   2.588 -12.251
  548   2HD1  LEU  74          HD12      LEU  74   6.734   1.378 -12.669
  549   3HD1  LEU  74          HD13      LEU  74   6.873   1.968 -11.002
  550   1HD2  LEU  74          HD21      LEU  74   7.070  -1.077 -11.816
  551   2HD2  LEU  74          HD22      LEU  74   8.375  -1.359 -10.637
  552   3HD2  LEU  74          HD23      LEU  74   7.019  -0.317 -10.213
  553    H    GLY  75           H        GLY  75  12.420   0.027 -13.689
  554   1HA   GLY  75          HA2       GLY  75  13.284  -1.867 -15.492
  555   2HA   GLY  75          HA3       GLY  75  12.231  -0.792 -16.427
  556    H    GLY  76           H        GLY  76  14.465  -0.344 -17.457
  557   1HA   GLY  76          HA2       GLY  76  15.333   2.232 -16.427
  558   2HA   GLY  76          HA3       GLY  76  16.605   0.999 -16.412
  559    H    GLY  77           H        GLY  77  17.401   2.805 -17.933
  560   1HA   GLY  77          HA2       GLY  77  17.414   2.034 -20.662
  561   2HA   GLY  77          HA3       GLY  77  16.275   3.381 -20.431
  562    H    ARG  78           H        ARG  78  17.859   4.754 -21.677
  563    HA   ARG  78           HA       ARG  78  19.849   5.830 -19.786
  564   1HB   ARG  78          HB2       ARG  78  21.653   5.889 -21.372
  565   2HB   ARG  78          HB3       ARG  78  21.115   4.228 -21.147
  566   1HG   ARG  78          HG2       ARG  78  19.828   4.400 -23.310
  567   2HG   ARG  78          HG3       ARG  78  20.497   6.035 -23.521
  568   1HD   ARG  78          HD2       ARG  78  22.818   5.038 -23.383
  569   2HD   ARG  78          HD3       ARG  78  22.080   3.435 -23.287
  570    HE   ARG  78           HE       ARG  78  21.470   3.512 -25.529
  571   1HH1  ARG  78          HH21      ARG  78  22.892   6.681 -24.652
  572   2HH1  ARG  78          HH22      ARG  78  22.861   7.253 -26.292
  573   1HH2  ARG  78          HH11      ARG  78  21.439   4.239 -27.524
  574   2HH2  ARG  78          HH12      ARG  78  21.809   5.905 -27.941
  575    H    ILE  79           H        ILE  79  20.728   7.867 -20.498
  576    HA   ILE  79           HA       ILE  79  18.564   9.577 -21.584
  577    HB   ILE  79           HB       ILE  79  20.206   9.682 -19.019
  578   1HG1  ILE  79          HG12      ILE  79  17.226   9.820 -19.666
  579   2HG1  ILE  79          HG13      ILE  79  18.066   8.442 -18.977
  580   1HG2  ILE  79          HG21      ILE  79  18.560  11.943 -20.296
  581   2HG2  ILE  79          HG22      ILE  79  19.257  12.000 -18.666
  582   3HG2  ILE  79          HG23      ILE  79  20.323  11.956 -20.056
  583   1HD1  ILE  79          HD11      ILE  79  18.539   9.803 -16.924
  584   2HD1  ILE  79          HD12      ILE  79  17.519  11.100 -17.599
  585   3HD1  ILE  79          HD13      ILE  79  16.818   9.521 -17.241
  586    H    SER  80           H        SER  80  19.302  11.142 -22.979
  587    HA   SER  80           HA       SER  80  22.187  11.514 -23.423
  588   1HB   SER  80          HB2       SER  80  21.510   9.326 -24.504
  589   2HB   SER  80          HB3       SER  80  20.351  10.223 -25.500
  590    HG   SER  80           HG       SER  80  22.568   9.793 -26.360
  591    H    HIS  81           H        HIS  81  22.506  12.894 -25.375
  592    HA   HIS  81           HA       HIS  81  20.230  14.645 -26.084
  593   1HB   HIS  81          HB2       HIS  81  21.611  16.621 -26.098
  594   2HB   HIS  81          HB3       HIS  81  21.588  15.913 -24.490
  595    HD1  HIS  81           HD1      HIS  81  23.985  15.749 -27.567
  596    HD2  HIS  81           HD2      HIS  81  23.911  15.827 -23.365
  597    HE1  HIS  81           HE1      HIS  81  26.429  15.772 -26.808
  598    H    GLN  82           H        GLN  82  21.609  12.175 -27.201
  599    HA   GLN  82           HA       GLN  82  22.825  12.893 -29.687
  600   1HB   GLN  82          HB2       GLN  82  21.375  10.429 -28.657
  601   2HB   GLN  82          HB3       GLN  82  21.981  10.512 -30.315
  602   1HG   GLN  82          HG2       GLN  82  24.250  10.761 -29.627
  603   2HG   GLN  82          HG3       GLN  82  23.815  11.053 -27.951
  604   1HE2  GLN  82          HE22      GLN  82  24.492   8.576 -30.325
  605   2HE2  GLN  82          HE21      GLN  82  24.254   7.213 -29.262
  606    H    SER  83           H        SER  83  19.833  13.791 -28.686
  607    HA   SER  83           HA       SER  83  18.065  13.667 -30.797
  608   1HB   SER  83          HB2       SER  83  18.643  16.133 -29.143
  609   2HB   SER  83          HB3       SER  83  17.064  15.479 -29.611
  610    HG   SER  83           HG       SER  83  17.754  15.242 -27.367
  611    H    GLN  84           H        GLN  84  21.197  15.155 -30.784
  612    HA   GLN  84           HA       GLN  84  22.313  16.642 -31.993
  613   1HB   GLN  84          HB2       GLN  84  20.227  16.269 -34.176
  614   2HB   GLN  84          HB3       GLN  84  21.816  17.013 -34.348
  615   1HG   GLN  84          HG2       GLN  84  22.895  14.861 -33.690
  616   2HG   GLN  84          HG3       GLN  84  21.305  14.101 -33.595
  617   1HE2  GLN  84          HE22      GLN  84  20.066  13.782 -35.585
  618   2HE2  GLN  84          HE21      GLN  84  20.861  13.822 -37.139
  619    H    ASP  85           H        ASP  85  20.417  17.443 -30.048
  620    HA   ASP  85           HA       ASP  85  20.307  20.284 -30.482
  621   1HB   ASP  85          HB2       ASP  85  18.139  19.566 -31.538
  622   2HB   ASP  85          HB3       ASP  85  17.716  18.708 -30.054
  623    H    LYS  86           H        LYS  86  19.852  21.275 -28.270
  624    HA   LYS  86           HA       LYS  86  21.056  19.762 -26.189
  625   1HB   LYS  86          HB2       LYS  86  21.155  22.211 -26.282
  626   2HB   LYS  86          HB3       LYS  86  19.402  22.321 -26.114
  627   1HG   LYS  86          HG2       LYS  86  20.498  22.903 -24.028
  628   2HG   LYS  86          HG3       LYS  86  19.515  21.465 -23.833
  629   1HD   LYS  86          HD2       LYS  86  21.732  20.124 -24.169
  630   2HD   LYS  86          HD3       LYS  86  22.551  21.663 -23.907
  631   1HE   LYS  86          HE2       LYS  86  20.537  20.334 -22.025
  632   2HE   LYS  86          HE3       LYS  86  22.288  20.203 -21.863
  633   1HZ   LYS  86          HZ1       LYS  86  20.795  22.753 -21.676
  634   2HZ   LYS  86          HZ2       LYS  86  21.322  21.862 -20.405
  635   3HZ   LYS  86          HZ3       LYS  86  22.406  22.552 -21.429
  636    H    LYS  87           H        LYS  87  17.664  19.910 -27.203
  637    HA   LYS  87           HA       LYS  87  16.418  19.250 -24.789
  638   1HB   LYS  87          HB2       LYS  87  15.387  19.852 -27.021
  639   2HB   LYS  87          HB3       LYS  87  15.541  18.144 -27.474
  640   1HG   LYS  87          HG2       LYS  87  14.146  17.502 -25.531
  641   2HG   LYS  87          HG3       LYS  87  14.107  19.181 -24.982
  642   1HD   LYS  87          HD2       LYS  87  12.817  18.074 -27.504
  643   2HD   LYS  87          HD3       LYS  87  12.015  18.641 -26.031
  644   1HE   LYS  87          HE2       LYS  87  13.161  20.925 -26.509
  645   2HE   LYS  87          HE3       LYS  87  13.479  20.282 -28.129
  646   1HZ   LYS  87          HZ1       LYS  87  11.022  19.931 -28.292
  647   2HZ   LYS  87          HZ2       LYS  87  10.858  20.697 -26.831
  648   3HZ   LYS  87          HZ3       LYS  87  11.437  21.504 -28.130
  649    H    ILE  88           H        ILE  88  16.579  17.623 -23.438
  650    HA   ILE  88           HA       ILE  88  18.377  15.431 -23.951
  651    HB   ILE  88           HB       ILE  88  16.409  15.937 -21.681
  652   1HG1  ILE  88          HG12      ILE  88  17.904  17.843 -21.817
  653   2HG1  ILE  88          HG13      ILE  88  18.260  16.885 -20.403
  654   1HG2  ILE  88          HG21      ILE  88  17.979  14.544 -20.306
  655   2HG2  ILE  88          HG22      ILE  88  17.125  13.634 -21.544
  656   3HG2  ILE  88          HG23      ILE  88  18.822  14.087 -21.800
  657   1HD1  ILE  88          HD11      ILE  88  20.253  15.915 -21.527
  658   2HD1  ILE  88          HD12      ILE  88  19.881  16.860 -22.989
  659   3HD1  ILE  88          HD13      ILE  88  20.312  17.684 -21.483
  660    H    HIS  89           H        HIS  89  17.741  13.130 -23.861
  661    HA   HIS  89           HA       HIS  89  14.935  12.554 -24.593
  662   1HB   HIS  89          HB2       HIS  89  16.517  12.806 -26.611
  663   2HB   HIS  89          HB3       HIS  89  17.290  11.322 -26.050
  664    HD1  HIS  89           HD1      HIS  89  13.791  12.599 -27.143
  665    HD2  HIS  89           HD2      HIS  89  16.114   9.097 -26.868
  666    HE1  HIS  89           HE1      HIS  89  12.454  10.750 -28.297
  667    H    VAL  90           H        VAL  90  14.264  10.487 -23.898
  668    HA   VAL  90           HA       VAL  90  16.155   8.897 -22.230
  669    HB   VAL  90           HB       VAL  90  13.201   9.329 -21.629
  670   1HG1  VAL  90          HG11      VAL  90  15.494   8.339 -19.879
  671   2HG1  VAL  90          HG12      VAL  90  13.774   8.415 -19.443
  672   3HG1  VAL  90          HG13      VAL  90  14.328   7.308 -20.710
  673   1HG2  VAL  90          HG21      VAL  90  14.106  11.523 -21.370
  674   2HG2  VAL  90          HG22      VAL  90  13.921  10.837 -19.757
  675   3HG2  VAL  90          HG23      VAL  90  15.531  10.930 -20.508
  676    H    TYR  91           H        TYR  91  16.310   6.837 -23.069
  677    HA   TYR  91           HA       TYR  91  14.063   5.486 -24.281
  678   1HB   TYR  91          HB2       TYR  91  14.732   5.451 -26.533
  679   2HB   TYR  91          HB3       TYR  91  14.642   7.112 -26.074
  680    HD1  TYR  91           HD1      TYR  91  17.730   6.579 -24.664
  681    HD2  TYR  91           HD2      TYR  91  15.831   6.375 -28.541
  682    HE1  TYR  91           HE1      TYR  91  19.868   7.044 -25.721
  683    HE2  TYR  91           HE2      TYR  91  17.994   6.878 -29.622
  684    HH   TYR  91           HH       TYR  91  20.219   7.425 -29.307
  685    H    GLY  92           H        GLY  92  15.350   3.587 -25.803
  686   1HA   GLY  92          HA2       GLY  92  16.732   1.740 -25.703
  687   2HA   GLY  92          HA3       GLY  92  17.691   2.518 -24.435
  688    H    TYR  93           H        TYR  93  17.662   0.398 -23.411
  689    HA   TYR  93           HA       TYR  93  15.457   0.078 -21.533
  690   1HB   TYR  93          HB2       TYR  93  15.182  -2.333 -22.046
  691   2HB   TYR  93          HB3       TYR  93  14.612  -1.302 -23.344
  692    HD1  TYR  93           HD1      TYR  93  15.830  -1.170 -25.509
  693    HD2  TYR  93           HD2      TYR  93  17.043  -3.878 -22.375
  694    HE1  TYR  93           HE1      TYR  93  17.181  -2.443 -27.138
  695    HE2  TYR  93           HE2      TYR  93  18.409  -5.153 -23.991
  696    HH   TYR  93           HH       TYR  93  19.102  -5.345 -26.208
  697    H    SER  94           H        SER  94  16.136  -1.199 -19.683
  698    HA   SER  94           HA       SER  94  19.052  -1.428 -19.407
  699   1HB   SER  94          HB2       SER  94  18.626  -2.122 -17.142
  700   2HB   SER  94          HB3       SER  94  17.698  -0.664 -17.491
  701    HG   SER  94           HG       SER  94  15.852  -2.118 -17.821
  702    H    MET  95           H        MET  95  20.216  -3.349 -19.642
  703    HA   MET  95           HA       MET  95  18.938  -5.644 -20.813
  704   1HB   MET  95          HB2       MET  95  21.361  -5.030 -21.070
  705   2HB   MET  95          HB3       MET  95  21.625  -5.457 -19.375
  706   1HG   MET  95          HG2       MET  95  22.327  -7.270 -20.819
  707   2HG   MET  95          HG3       MET  95  20.948  -7.787 -19.856
  708   1HE   MET  95          HE1       MET  95  20.517  -9.852 -23.151
  709   2HE   MET  95          HE2       MET  95  22.035  -9.416 -22.334
  710   3HE   MET  95          HE3       MET  95  20.617  -9.905 -21.377
  711    H    ALA  96           H        ALA  96  19.703  -4.657 -17.485
  712    HA   ALA  96           HA       ALA  96  19.309  -7.209 -16.283
  713   1HB   ALA  96          HB1       ALA  96  19.393  -5.930 -14.172
  714   2HB   ALA  96          HB2       ALA  96  20.691  -5.443 -15.277
  715   3HB   ALA  96          HB3       ALA  96  19.254  -4.409 -15.074
  716    H    TYR  97           H        TYR  97  17.040  -4.412 -16.744
  717    HA   TYR  97           HA       TYR  97  14.887  -6.081 -15.529
  718   1HB   TYR  97          HB2       TYR  97  15.262  -3.101 -15.139
  719   2HB   TYR  97          HB3       TYR  97  14.139  -4.160 -14.304
  720    HD1  TYR  97           HD1      TYR  97  17.174  -2.442 -13.962
  721    HD2  TYR  97           HD2      TYR  97  15.366  -6.253 -13.052
  722    HE1  TYR  97           HE1      TYR  97  18.856  -2.807 -12.190
  723    HE2  TYR  97           HE2      TYR  97  17.062  -6.644 -11.290
  724    HH   TYR  97           HH       TYR  97  19.668  -4.295 -10.550
  725    H    GLY  98           H        GLY  98  15.752  -4.696 -18.437
  726   1HA   GLY  98          HA2       GLY  98  14.451  -4.553 -20.340
  727   2HA   GLY  98          HA3       GLY  98  12.980  -4.735 -19.376
  728    HA   PRO  99           HA       PRO  99  13.542  -0.246 -20.614
  729   1HB   PRO  99          HB2       PRO  99  11.136   0.113 -21.893
  730   2HB   PRO  99          HB3       PRO  99  12.607  -0.472 -22.711
  731   1HG   PRO  99          HG2       PRO  99  10.289  -2.094 -21.636
  732   2HG   PRO  99          HG3       PRO  99  11.137  -2.272 -23.203
  733   1HD   PRO  99          HD2       PRO  99  11.680  -3.849 -21.031
  734   2HD   PRO  99          HD3       PRO  99  12.951  -3.379 -22.198
  735    H    ALA 100           H        ALA 100  12.870   1.343 -19.271
  736    HA   ALA 100           HA       ALA 100  10.884   0.872 -17.172
  737   1HB   ALA 100          HB1       ALA 100  12.877   2.334 -16.822
  738   2HB   ALA 100          HB2       ALA 100  12.326   3.369 -18.144
  739   3HB   ALA 100          HB3       ALA 100  11.385   3.256 -16.644
  740    H    GLN 101           H        GLN 101   9.128   2.713 -16.966
  741    HA   GLN 101           HA       GLN 101   7.403   2.749 -19.263
  742   1HB   GLN 101          HB2       GLN 101   7.475   4.580 -16.825
  743   2HB   GLN 101          HB3       GLN 101   6.172   4.520 -18.010
  744   1HG   GLN 101          HG2       GLN 101   6.972   2.282 -16.110
  745   2HG   GLN 101          HG3       GLN 101   5.556   3.328 -16.002
  746   1HE2  GLN 101          HE22      GLN 101   3.888   3.157 -17.774
  747   2HE2  GLN 101          HE21      GLN 101   3.703   1.630 -18.595
  748    H    HIS 102           H        HIS 102   9.962   4.889 -18.149
  749    HA   HIS 102           HA       HIS 102  10.928   6.757 -18.781
  750   1HB   HIS 102          HB2       HIS 102   9.946   6.011 -21.522
  751   2HB   HIS 102          HB3       HIS 102  11.220   7.186 -21.181
  752    HD1  HIS 102           HD1      HIS 102  10.938   3.708 -22.203
  753    HD2  HIS 102           HD2      HIS 102  13.213   5.817 -19.371
  754    HE1  HIS 102           HE1      HIS 102  12.968   2.260 -21.672
  755    H    ALA 103           H        ALA 103   7.544   6.684 -19.903
  756    HA   ALA 103           HA       ALA 103   7.134   9.379 -20.417
  757   1HB   ALA 103          HB1       ALA 103   5.462   7.636 -20.806
  758   2HB   ALA 103          HB2       ALA 103   5.280   7.367 -19.054
  759   3HB   ALA 103          HB3       ALA 103   4.776   8.911 -19.785
  760    H    ILE 104           H        ILE 104   7.143   7.713 -17.247
  761    HA   ILE 104           HA       ILE 104   6.352   9.890 -15.609
  762    HB   ILE 104           HB       ILE 104   8.101   7.449 -15.074
  763   1HG1  ILE 104          HG12      ILE 104   6.300   6.571 -13.780
  764   2HG1  ILE 104          HG13      ILE 104   5.364   8.065 -13.895
  765   1HG2  ILE 104          HG21      ILE 104   8.850   9.104 -13.457
  766   2HG2  ILE 104          HG22      ILE 104   7.171   9.562 -13.086
  767   3HG2  ILE 104          HG23      ILE 104   7.795   7.969 -12.624
  768   1HD1  ILE 104          HD11      ILE 104   5.949   6.252 -16.260
  769   2HD1  ILE 104          HD12      ILE 104   4.481   6.180 -15.269
  770   3HD1  ILE 104          HD13      ILE 104   4.827   7.634 -16.213
  771    H    SER 105           H        SER 105   9.628   8.826 -16.724
  772    HA   SER 105           HA       SER 105  11.156  10.700 -15.376
  773   1HB   SER 105          HB2       SER 105  11.710   9.688 -18.183
  774   2HB   SER 105          HB3       SER 105  12.861  10.163 -16.944
  775    HG   SER 105           HG       SER 105  12.595   7.889 -17.083
  776    H    THR 106           H        THR 106   9.849  10.969 -18.750
  777    HA   THR 106           HA       THR 106  10.735  13.597 -19.161
  778    HB   THR 106           HB       THR 106   8.541  13.610 -20.711
  779    HG1  THR 106           HG1      THR 106   7.790  11.582 -19.746
  780   1HG2  THR 106          HG21      THR 106  10.795  13.620 -21.573
  781   2HG2  THR 106          HG22      THR 106  11.028  11.907 -21.145
  782   3HG2  THR 106          HG23      THR 106   9.866  12.378 -22.409
  783    H    GLU 107           H        GLU 107   7.571  12.571 -17.696
  784    HA   GLU 107           HA       GLU 107   6.592  15.239 -17.546
  785   1HB   GLU 107          HB2       GLU 107   5.898  12.700 -16.014
  786   2HB   GLU 107          HB3       GLU 107   5.062  14.239 -15.767
  787   1HG   GLU 107          HG2       GLU 107   4.470  14.313 -18.181
  788   2HG   GLU 107          HG3       GLU 107   5.229  12.742 -18.418
  789    H    LYS 108           H        LYS 108   8.328  13.207 -15.111
  790    HA   LYS 108           HA       LYS 108   8.128  15.283 -13.109
  791   1HB   LYS 108          HB2       LYS 108   9.798  12.731 -13.236
  792   2HB   LYS 108          HB3       LYS 108   9.741  13.838 -11.851
  793   1HG   LYS 108          HG2       LYS 108   7.252  13.580 -11.773
  794   2HG   LYS 108          HG3       LYS 108   7.363  12.313 -13.003
  795   1HD   LYS 108          HD2       LYS 108   8.688  10.902 -11.500
  796   2HD   LYS 108          HD3       LYS 108   8.844  12.233 -10.351
  797   1HE   LYS 108          HE2       LYS 108   6.233  12.239 -10.308
  798   2HE   LYS 108          HE3       LYS 108   6.369  10.621 -11.003
  799   1HZ   LYS 108          HZ1       LYS 108   7.755  10.035  -9.030
  800   2HZ   LYS 108          HZ2       LYS 108   7.529  11.531  -8.410
  801   3HZ   LYS 108          HZ3       LYS 108   6.246  10.537  -8.604
  802    H    ILE 109           H        ILE 109  10.729  14.378 -15.427
  803    HA   ILE 109           HA       ILE 109  12.634  16.270 -14.403
  804    HB   ILE 109           HB       ILE 109  12.240  14.963 -17.105
  805   1HG1  ILE 109          HG12      ILE 109  14.515  14.600 -15.095
  806   2HG1  ILE 109          HG13      ILE 109  13.047  13.625 -15.043
  807   1HG2  ILE 109          HG21      ILE 109  14.618  16.700 -16.311
  808   2HG2  ILE 109          HG22      ILE 109  14.442  15.798 -17.822
  809   3HG2  ILE 109          HG23      ILE 109  13.380  17.157 -17.497
  810   1HD1  ILE 109          HD11      ILE 109  13.513  12.857 -17.397
  811   2HD1  ILE 109          HD12      ILE 109  15.075  13.704 -17.313
  812   3HD1  ILE 109          HD13      ILE 109  14.732  12.372 -16.204
  813    H    LYS 110           H        LYS 110   9.984  16.596 -16.934
  814    HA   LYS 110           HA       LYS 110  10.614  19.343 -17.425
  815   1HB   LYS 110          HB2       LYS 110   8.055  17.729 -17.768
  816   2HB   LYS 110          HB3       LYS 110   8.142  19.455 -18.158
  817   1HG   LYS 110          HG2       LYS 110   9.971  19.093 -19.726
  818   2HG   LYS 110          HG3       LYS 110  10.019  17.371 -19.323
  819   1HD   LYS 110          HD2       LYS 110   7.768  17.042 -20.230
  820   2HD   LYS 110          HD3       LYS 110   7.638  18.784 -20.599
  821   1HE   LYS 110          HE2       LYS 110   9.589  18.641 -22.100
  822   2HE   LYS 110          HE3       LYS 110   9.835  16.953 -21.663
  823   1HZ   LYS 110          HZ1       LYS 110   7.674  16.457 -22.707
  824   2HZ   LYS 110          HZ2       LYS 110   7.508  18.019 -23.164
  825   3HZ   LYS 110          HZ3       LYS 110   8.731  17.109 -23.762
  826    H    ALA 111           H        ALA 111   8.419  17.865 -14.982
  827    HA   ALA 111           HA       ALA 111   7.391  20.299 -13.989
  828   1HB   ALA 111          HB1       ALA 111   6.811  19.001 -11.980
  829   2HB   ALA 111          HB2       ALA 111   6.445  18.082 -13.453
  830   3HB   ALA 111          HB3       ALA 111   7.887  17.686 -12.489
  831    H    LYS 112           H        LYS 112  10.308  18.440 -12.910
  832    HA   LYS 112           HA       LYS 112  10.939  20.436 -10.884
  833   1HB   LYS 112          HB2       LYS 112  12.477  18.037 -11.944
  834   2HB   LYS 112          HB3       LYS 112  13.028  19.047 -10.607
  835   1HG   LYS 112          HG2       LYS 112  10.394  17.519 -10.646
  836   2HG   LYS 112          HG3       LYS 112  11.883  16.956  -9.881
  837   1HD   LYS 112          HD2       LYS 112  11.837  18.978  -8.395
  838   2HD   LYS 112          HD3       LYS 112  10.267  19.428  -9.072
  839   1HE   LYS 112          HE2       LYS 112  10.875  16.786  -7.683
  840   2HE   LYS 112          HE3       LYS 112  10.173  18.184  -6.874
  841   1HZ   LYS 112          HZ1       LYS 112   8.554  16.461  -7.659
  842   2HZ   LYS 112          HZ2       LYS 112   8.218  17.991  -8.159
  843   3HZ   LYS 112          HZ3       LYS 112   8.865  16.901  -9.197
  844    H    TYR 113           H        TYR 113  11.794  19.976 -14.219
  845    HA   TYR 113           HA       TYR 113  13.235  20.794 -15.626
  846   1HB   TYR 113          HB2       TYR 113  11.570  22.715 -15.130
  847   2HB   TYR 113          HB3       TYR 113  12.943  23.539 -14.421
  848    HD1  TYR 113           HD1      TYR 113  11.379  22.243 -17.491
  849    HD2  TYR 113           HD2      TYR 113  14.881  24.211 -15.912
  850    HE1  TYR 113           HE1      TYR 113  12.031  22.902 -19.784
  851    HE2  TYR 113           HE2      TYR 113  15.552  24.861 -18.205
  852    HH   TYR 113           HH       TYR 113  13.570  24.067 -21.097
  853    HA   PRO 114           HA       PRO 114  16.589  20.641 -12.419
  854   1HB   PRO 114          HB2       PRO 114  17.893  18.347 -13.205
  855   2HB   PRO 114          HB3       PRO 114  16.430  18.355 -12.173
  856   1HG   PRO 114          HG2       PRO 114  16.589  17.945 -15.171
  857   2HG   PRO 114          HG3       PRO 114  15.687  16.973 -13.962
  858   1HD   PRO 114          HD2       PRO 114  14.481  18.915 -15.433
  859   2HD   PRO 114          HD3       PRO 114  14.037  18.623 -13.724
  860    H    ASP 115           H        ASP 115  16.719  20.576 -15.938
  861    HA   ASP 115           HA       ASP 115  18.915  22.470 -15.844
  862   1HB   ASP 115          HB2       ASP 115  20.218  20.358 -15.852
  863   2HB   ASP 115          HB3       ASP 115  19.382  19.846 -17.320
  864    H    TYR 116           H        TYR 116  16.951  20.325 -18.045
  865    HA   TYR 116           HA       TYR 116  16.216  22.631 -19.673
  866   1HB   TYR 116          HB2       TYR 116  18.572  21.781 -20.376
  867   2HB   TYR 116          HB3       TYR 116  17.741  20.366 -20.993
  868    HD1  TYR 116           HD1      TYR 116  16.698  20.476 -23.137
  869    HD2  TYR 116           HD2      TYR 116  17.926  24.112 -21.196
  870    HE1  TYR 116           HE1      TYR 116  16.231  21.741 -25.235
  871    HE2  TYR 116           HE2      TYR 116  17.491  25.384 -23.274
  872    HH   TYR 116           HH       TYR 116  16.768  25.284 -25.489
  873    H    GLU 117           H        GLU 117  14.936  21.720 -21.674
  874    HA   GLU 117           HA       GLU 117  12.820  19.997 -20.729
  875   1HB   GLU 117          HB2       GLU 117  12.483  21.918 -22.240
  876   2HB   GLU 117          HB3       GLU 117  13.377  21.088 -23.527
  877   1HG   GLU 117          HG2       GLU 117  11.647  19.394 -23.692
  878   2HG   GLU 117          HG3       GLU 117  10.887  19.995 -22.204
  879    H    VAL 118           H        VAL 118  12.115  18.048 -22.016
  880    HA   VAL 118           HA       VAL 118  14.324  16.359 -22.924
  881    HB   VAL 118           HB       VAL 118  14.354  16.276 -20.497
  882   1HG1  VAL 118          HG11      VAL 118  12.223  16.931 -19.771
  883   2HG1  VAL 118          HG12      VAL 118  11.402  15.624 -20.657
  884   3HG1  VAL 118          HG13      VAL 118  12.401  15.255 -19.251
  885   1HG2  VAL 118          HG21      VAL 118  14.290  13.941 -20.093
  886   2HG2  VAL 118          HG22      VAL 118  13.129  13.659 -21.397
  887   3HG2  VAL 118          HG23      VAL 118  14.788  14.149 -21.777
  888    H    THR 119           H        THR 119  13.460  14.242 -23.749
  889    HA   THR 119           HA       THR 119  10.585  14.089 -24.383
  890    HB   THR 119           HB       THR 119  11.322  13.452 -26.770
  891    HG1  THR 119           HG1      THR 119  13.663  14.792 -25.873
  892   1HG2  THR 119          HG21      THR 119  11.595  16.360 -25.931
  893   2HG2  THR 119          HG22      THR 119  11.314  15.759 -27.583
  894   3HG2  THR 119          HG23      THR 119  10.093  15.500 -26.324
  895    H    TRP 120           H        TRP 120  10.306  11.760 -25.570
  896    HA   TRP 120           HA       TRP 120  12.369   9.885 -24.746
  897   1HB   TRP 120          HB2       TRP 120  11.024   8.429 -23.457
  898   2HB   TRP 120          HB3       TRP 120  10.840  10.009 -22.732
  899    HD1  TRP 120           HD1      TRP 120   8.372  11.244 -23.685
  900    HE1  TRP 120           HE1      TRP 120   6.060  10.169 -23.612
  901    HE3  TRP 120           HE3      TRP 120   9.792   6.336 -23.794
  902    HZ2  TRP 120           HZ2      TRP 120   4.950   7.486 -23.593
  903    HZ3  TRP 120           HZ3      TRP 120   8.094   4.543 -23.646
  904    HH2  TRP 120           HH2      TRP 120   5.672   5.099 -23.571
  905    H    ALA 121           H        ALA 121  11.882   7.663 -25.519
  906    HA   ALA 121           HA       ALA 121   9.745   7.369 -27.459
  907   1HB   ALA 121          HB1       ALA 121  11.583   8.183 -28.931
  908   2HB   ALA 121          HB2       ALA 121  12.674   6.941 -28.268
  909   3HB   ALA 121          HB3       ALA 121  11.261   6.465 -29.231
  910    H    ASN 122           H        ASN 122   9.151   5.191 -27.591
  911    HA   ASN 122           HA       ASN 122  10.211   3.448 -25.469
  912   1HB   ASN 122          HB2       ASN 122   7.751   3.870 -25.792
  913   2HB   ASN 122          HB3       ASN 122   7.854   3.060 -27.354
  914   1HD2  ASN 122          HD22      ASN 122   6.478   1.279 -26.769
  915   2HD2  ASN 122          HD21      ASN 122   6.947   0.092 -25.582
  916    H    ASP 123           H        ASP 123  12.170   3.773 -27.306
  917    HA   ASP 123           HA       ASP 123  12.472   1.246 -28.731
  918   1HB   ASP 123          HB2       ASP 123  11.097   2.886 -30.229
  919   2HB   ASP 123          HB3       ASP 123  12.591   3.805 -30.369
  920    H    GLY 124           H        GLY 124  14.743   2.093 -30.288
  921   1HA   GLY 124          HA2       GLY 124  16.907   2.867 -30.130
  922   2HA   GLY 124          HA3       GLY 124  16.553   3.612 -28.571
  923    H    TYR 125           H        TYR 125  18.832   2.650 -28.345
  924    HA   TYR 125           HA       TYR 125  18.747   0.086 -26.917
  925   1HB   TYR 125          HB2       TYR 125  20.739   0.760 -29.136
  926   2HB   TYR 125          HB3       TYR 125  20.866  -0.591 -28.027
  927    HD1  TYR 125           HD1      TYR 125  19.122   0.729 -31.007
  928    HD2  TYR 125           HD2      TYR 125  19.445  -2.583 -28.263
  929    HE1  TYR 125           HE1      TYR 125  17.816  -0.687 -32.569
  930    HE2  TYR 125           HE2      TYR 125  18.143  -4.006 -29.808
  931    HH   TYR 125           HH       TYR 125  17.020  -4.121 -31.850
  Start of MODEL   11
    1   1H    MET   1          H1        MET   1  12.067   9.271  18.264
    2   2H    MET   1          H2        MET   1  12.314   7.666  18.516
    3   3H    MET   1          H3        MET   1  13.330   8.518  17.552
    4    HA   MET   1           HA       MET   1  11.898   7.184  16.211
    5   1HB   MET   1          HB2       MET   1  10.020   7.088  17.835
    6   2HB   MET   1          HB3       MET   1   9.634   8.779  17.499
    7   1HG   MET   1          HG2       MET   1   8.156   7.220  16.307
    8   2HG   MET   1          HG3       MET   1   9.058   8.234  15.191
    9   1HE   MET   1          HE1       MET   1   7.446   5.680  14.244
   10   2HE   MET   1          HE2       MET   1   8.398   6.722  13.162
   11   3HE   MET   1          HE3       MET   1   8.613   4.960  13.114
   12    H    ALA   2           H        ALA   2  11.492   7.892  14.086
   13    HA   ALA   2           HA       ALA   2  11.148  10.721  13.479
   14   1HB   ALA   2          HB1       ALA   2  13.526   9.115  12.410
   15   2HB   ALA   2          HB2       ALA   2  13.033  10.732  11.863
   16   3HB   ALA   2          HB3       ALA   2  13.631  10.506  13.516
   17    H    VAL   3           H        VAL   3  10.640  10.869  11.060
   18    HA   VAL   3           HA       VAL   3   9.903   8.441   9.676
   19    HB   VAL   3           HB       VAL   3   8.078   8.737  11.366
   20   1HG1  VAL   3          HG11      VAL   3   8.016  11.198  11.516
   21   2HG1  VAL   3          HG12      VAL   3   7.355  11.283   9.869
   22   3HG1  VAL   3          HG13      VAL   3   6.426  10.508  11.167
   23   1HG2  VAL   3          HG21      VAL   3   6.983   9.108   8.571
   24   2HG2  VAL   3          HG22      VAL   3   7.654   7.585   9.205
   25   3HG2  VAL   3          HG23      VAL   3   6.223   8.314   9.948
   26    H    ALA   4           H        ALA   4   8.790   9.181   7.518
   27    HA   ALA   4           HA       ALA   4   9.333  11.905   6.669
   28   1HB   ALA   4          HB1       ALA   4  11.503  10.701   6.181
   29   2HB   ALA   4          HB2       ALA   4  10.601   9.577   5.141
   30   3HB   ALA   4          HB3       ALA   4  10.678  11.296   4.733
   31    H    ASP   5           H        ASP   5   8.668  11.629   3.994
   32    HA   ASP   5           HA       ASP   5   6.216   9.996   3.837
   33   1HB   ASP   5          HB2       ASP   5   5.454  12.112   4.853
   34   2HB   ASP   5          HB3       ASP   5   6.261  13.034   3.583
   35    H    LEU   6           H        LEU   6   5.551   9.722   1.654
   36    HA   LEU   6           HA       LEU   6   7.591   9.362  -0.212
   37   1HB   LEU   6          HB2       LEU   6   4.572   9.645  -0.506
   38   2HB   LEU   6          HB3       LEU   6   5.625   9.229  -1.834
   39    HG   LEU   6           HG       LEU   6   5.273   7.553   0.672
   40   1HD1  LEU   6          HD11      LEU   6   4.158   5.974  -0.978
   41   2HD1  LEU   6          HD12      LEU   6   3.267   7.473  -0.644
   42   3HD1  LEU   6          HD13      LEU   6   4.163   7.288  -2.155
   43   1HD2  LEU   6          HD21      LEU   6   7.497   7.140  -0.186
   44   2HD2  LEU   6          HD22      LEU   6   6.477   5.788  -0.646
   45   3HD2  LEU   6          HD23      LEU   6   6.892   7.003  -1.855
   46    H    ALA   7           H        ALA   7   5.607  12.307   0.272
   47    HA   ALA   7           HA       ALA   7   6.368  13.476  -2.231
   48   1HB   ALA   7          HB1       ALA   7   5.295  14.777   0.306
   49   2HB   ALA   7          HB2       ALA   7   5.350  15.512  -1.307
   50   3HB   ALA   7          HB3       ALA   7   4.307  14.106  -1.016
   51    H    LEU   8           H        LEU   8   7.929  13.212   0.902
   52    HA   LEU   8           HA       LEU   8   9.649  15.579   0.522
   53   1HB   LEU   8          HB2       LEU   8   9.638  13.423   2.676
   54   2HB   LEU   8          HB3       LEU   8  10.631  14.872   2.685
   55    HG   LEU   8           HG       LEU   8   7.584  14.850   2.804
   56   1HD1  LEU   8          HD11      LEU   8   9.652  15.400   4.974
   57   2HD1  LEU   8          HD12      LEU   8   7.887  15.535   5.147
   58   3HD1  LEU   8          HD13      LEU   8   8.623  13.956   4.851
   59   1HD2  LEU   8          HD21      LEU   8   7.825  17.254   3.408
   60   2HD2  LEU   8          HD22      LEU   8   9.565  17.158   3.053
   61   3HD2  LEU   8          HD23      LEU   8   8.364  16.924   1.762
   62    H    ILE   9           H        ILE   9   9.711  12.153  -0.153
   63    HA   ILE   9           HA       ILE   9  12.480  11.651  -0.163
   64    HB   ILE   9           HB       ILE   9  10.191  10.514  -1.807
   65   1HG1  ILE   9          HG12      ILE   9  11.726   9.535   0.650
   66   2HG1  ILE   9          HG13      ILE   9  10.079  10.175   0.639
   67   1HG2  ILE   9          HG21      ILE   9  12.274  10.120  -3.067
   68   2HG2  ILE   9          HG22      ILE   9  13.033   9.457  -1.609
   69   3HG2  ILE   9          HG23      ILE   9  11.674   8.619  -2.386
   70   1HD1  ILE   9          HD11      ILE   9  11.053   7.533  -0.407
   71   2HD1  ILE   9          HD12      ILE   9   9.805   7.869   0.800
   72   3HD1  ILE   9          HD13      ILE   9   9.484   8.221  -0.917
   73    HA   PRO  10           HA       PRO  10  13.837  14.381  -3.547
   74   1HB   PRO  10          HB2       PRO  10  15.915  12.203  -3.854
   75   2HB   PRO  10          HB3       PRO  10  16.132  13.980  -3.859
   76   1HG   PRO  10          HG2       PRO  10  16.730  12.528  -1.646
   77   2HG   PRO  10          HG3       PRO  10  15.863  14.092  -1.490
   78   1HD   PRO  10          HD2       PRO  10  14.714  11.294  -1.418
   79   2HD   PRO  10          HD3       PRO  10  14.350  12.703  -0.371
   80    H    ASP  11           H        ASP  11  12.727  14.357  -5.449
   81    HA   ASP  11           HA       ASP  11  11.654  11.828  -6.377
   82   1HB   ASP  11          HB2       ASP  11  10.469  14.098  -6.070
   83   2HB   ASP  11          HB3       ASP  11  11.175  14.535  -7.631
   84    H    VAL  12           H        VAL  12  13.844  14.309  -7.753
   85    HA   VAL  12           HA       VAL  12  14.625  12.443  -9.933
   86    HB   VAL  12           HB       VAL  12  13.919  15.395 -10.263
   87   1HG1  VAL  12          HG11      VAL  12  14.298  15.034 -12.660
   88   2HG1  VAL  12          HG12      VAL  12  15.773  14.713 -11.758
   89   3HG1  VAL  12          HG13      VAL  12  14.796  13.352 -12.357
   90   1HG2  VAL  12          HG21      VAL  12  11.850  14.097 -10.128
   91   2HG2  VAL  12          HG22      VAL  12  12.130  14.611 -11.788
   92   3HG2  VAL  12          HG23      VAL  12  12.468  12.929 -11.313
   93    H    ASP  13           H        ASP  13  16.828  12.419 -10.196
   94    HA   ASP  13           HA       ASP  13  18.430  14.768  -9.721
   95   1HB   ASP  13          HB2       ASP  13  18.325  13.717  -7.409
   96   2HB   ASP  13          HB3       ASP  13  19.118  12.296  -8.073
   97    H    ILE  14           H        ILE  14  19.676  14.712 -11.554
   98    HA   ILE  14           HA       ILE  14  20.621  12.155 -12.633
   99    HB   ILE  14           HB       ILE  14  19.944  12.840 -14.929
  100   1HG1  ILE  14          HG12      ILE  14  17.986  14.781 -13.616
  101   2HG1  ILE  14          HG13      ILE  14  19.489  15.279 -14.403
  102   1HG2  ILE  14          HG21      ILE  14  17.707  11.910 -14.805
  103   2HG2  ILE  14          HG22      ILE  14  18.716  11.124 -13.593
  104   3HG2  ILE  14          HG23      ILE  14  17.555  12.369 -13.096
  105   1HD1  ILE  14          HD11      ILE  14  17.654  15.583 -15.937
  106   2HD1  ILE  14          HD12      ILE  14  18.690  14.274 -16.541
  107   3HD1  ILE  14          HD13      ILE  14  17.138  13.902 -15.751
  108    H    ASP  15           H        ASP  15  22.450  12.433 -14.040
  109    HA   ASP  15           HA       ASP  15  23.834  15.069 -13.727
  110   1HB   ASP  15          HB2       ASP  15  24.636  13.553 -12.025
  111   2HB   ASP  15          HB3       ASP  15  24.918  12.287 -13.231
  112    H    SER  16           H        SER  16  23.422  15.702 -15.818
  113    HA   SER  16           HA       SER  16  23.796  14.266 -18.169
  114   1HB   SER  16          HB2       SER  16  24.350  17.225 -17.752
  115   2HB   SER  16          HB3       SER  16  23.768  16.429 -19.225
  116    HG   SER  16           HG       SER  16  22.103  17.483 -18.010
  117    H    ASP  17           H        ASP  17  25.499  14.218 -19.695
  118    HA   ASP  17           HA       ASP  17  28.157  15.261 -19.081
  119   1HB   ASP  17          HB2       ASP  17  28.221  13.189 -17.754
  120   2HB   ASP  17          HB3       ASP  17  27.674  12.247 -19.140
  121    H    GLY  18           H        GLY  18  26.222  12.954 -21.027
  122   1HA   GLY  18          HA2       GLY  18  26.327  14.261 -23.477
  123   2HA   GLY  18          HA3       GLY  18  27.736  13.176 -23.446
  124    H    VAL  19           H        VAL  19  26.905  11.009 -22.056
  125    HA   VAL  19           HA       VAL  19  24.218  10.137 -22.734
  126    HB   VAL  19           HB       VAL  19  26.673   8.527 -23.596
  127   1HG1  VAL  19          HG11      VAL  19  24.874   7.065 -22.799
  128   2HG1  VAL  19          HG12      VAL  19  23.694   7.914 -23.825
  129   3HG1  VAL  19          HG13      VAL  19  24.998   6.958 -24.556
  130   1HG2  VAL  19          HG21      VAL  19  26.303  10.243 -25.285
  131   2HG2  VAL  19          HG22      VAL  19  25.760   8.694 -25.914
  132   3HG2  VAL  19          HG23      VAL  19  24.561   9.868 -25.336
  133    H    PHE  20           H        PHE  20  23.523   8.750 -21.017
  134    HA   PHE  20           HA       PHE  20  25.428   7.443 -19.258
  135   1HB   PHE  20          HB2       PHE  20  24.660   8.512 -17.203
  136   2HB   PHE  20          HB3       PHE  20  25.496   9.644 -18.233
  137    HD1  PHE  20           HD1      PHE  20  24.114  11.357 -19.594
  138    HD2  PHE  20           HD2      PHE  20  22.445   8.962 -16.429
  139    HE1  PHE  20           HE1      PHE  20  22.255  12.983 -19.336
  140    HE2  PHE  20           HE2      PHE  20  20.621  10.619 -16.135
  141    HZ   PHE  20           HZ       PHE  20  20.541  12.645 -17.572
  142    H    LYS  21           H        LYS  21  24.090   6.209 -17.470
  143    HA   LYS  21           HA       LYS  21  21.654   5.165 -18.850
  144   1HB   LYS  21          HB2       LYS  21  22.990   3.837 -16.485
  145   2HB   LYS  21          HB3       LYS  21  21.934   3.136 -17.702
  146   1HG   LYS  21          HG2       LYS  21  24.845   3.936 -18.045
  147   2HG   LYS  21          HG3       LYS  21  24.182   2.308 -17.904
  148   1HD   LYS  21          HD2       LYS  21  23.103   2.459 -20.081
  149   2HD   LYS  21          HD3       LYS  21  23.511   4.177 -20.207
  150   1HE   LYS  21          HE2       LYS  21  25.111   2.969 -21.554
  151   2HE   LYS  21          HE3       LYS  21  25.929   3.635 -20.140
  152   1HZ   LYS  21          HZ1       LYS  21  26.715   1.486 -20.305
  153   2HZ   LYS  21          HZ2       LYS  21  25.644   1.351 -19.125
  154   3HZ   LYS  21          HZ3       LYS  21  25.240   0.811 -20.637
  155    H    TYR  22           H        TYR  22  19.789   4.618 -17.462
  156    HA   TYR  22           HA       TYR  22  19.685   6.018 -14.871
  157   1HB   TYR  22          HB2       TYR  22  18.447   7.731 -15.580
  158   2HB   TYR  22          HB3       TYR  22  18.831   7.281 -17.214
  159    HD1  TYR  22           HD1      TYR  22  17.275   5.517 -18.349
  160    HD2  TYR  22           HD2      TYR  22  16.233   7.711 -14.794
  161    HE1  TYR  22           HE1      TYR  22  14.903   4.876 -18.656
  162    HE2  TYR  22           HE2      TYR  22  13.855   7.123 -15.123
  163    HH   TYR  22           HH       TYR  22  12.321   6.316 -16.660
  164    H    VAL  23           H        VAL  23  17.487   5.592 -13.816
  165    HA   VAL  23           HA       VAL  23  16.192   3.104 -14.628
  166    HB   VAL  23           HB       VAL  23  18.184   2.518 -13.168
  167   1HG1  VAL  23          HG11      VAL  23  18.071   4.394 -11.563
  168   2HG1  VAL  23          HG12      VAL  23  16.543   3.782 -10.936
  169   3HG1  VAL  23          HG13      VAL  23  18.016   2.818 -10.744
  170   1HG2  VAL  23          HG21      VAL  23  16.352   0.954 -13.465
  171   2HG2  VAL  23          HG22      VAL  23  17.030   0.852 -11.837
  172   3HG2  VAL  23          HG23      VAL  23  15.475   1.672 -12.095
  173    H    LEU  24           H        LEU  24  14.121   2.854 -13.604
  174    HA   LEU  24           HA       LEU  24  12.978   5.316 -12.367
  175   1HB   LEU  24          HB2       LEU  24  12.193   4.933 -14.689
  176   2HB   LEU  24          HB3       LEU  24  11.735   3.286 -14.272
  177    HG   LEU  24           HG       LEU  24   9.983   4.207 -12.685
  178   1HD1  LEU  24          HD11      LEU  24  10.828   6.875 -13.873
  179   2HD1  LEU  24          HD12      LEU  24   9.386   6.586 -12.897
  180   3HD1  LEU  24          HD13      LEU  24  10.981   6.394 -12.169
  181   1HD2  LEU  24          HD21      LEU  24   8.457   4.959 -14.441
  182   2HD2  LEU  24          HD22      LEU  24   9.825   5.208 -15.554
  183   3HD2  LEU  24          HD23      LEU  24   9.410   3.572 -14.979
  184    H    ILE  25           H        ILE  25  12.509   4.771 -10.170
  185    HA   ILE  25           HA       ILE  25  11.809   1.924  -9.683
  186    HB   ILE  25           HB       ILE  25  13.369   1.530  -8.302
  187   1HG1  ILE  25          HG12      ILE  25  13.313   4.209  -6.900
  188   2HG1  ILE  25          HG13      ILE  25  12.261   2.854  -6.488
  189   1HG2  ILE  25          HG21      ILE  25  15.513   2.639  -8.422
  190   2HG2  ILE  25          HG22      ILE  25  14.747   2.699 -10.001
  191   3HG2  ILE  25          HG23      ILE  25  14.753   4.148  -8.948
  192   1HD1  ILE  25          HD11      ILE  25  14.110   2.866  -4.970
  193   2HD1  ILE  25          HD12      ILE  25  14.221   1.435  -6.019
  194   3HD1  ILE  25          HD13      ILE  25  15.283   2.831  -6.291
  195    H    ARG  26           H        ARG  26  10.152   1.455  -8.479
  196    HA   ARG  26           HA       ARG  26   8.301   3.570  -7.580
  197   1HB   ARG  26          HB2       ARG  26   7.467   1.574  -8.727
  198   2HB   ARG  26          HB3       ARG  26   8.220   0.508  -7.549
  199   1HG   ARG  26          HG2       ARG  26   6.697   1.053  -5.845
  200   2HG   ARG  26          HG3       ARG  26   6.233   2.587  -6.591
  201   1HD   ARG  26          HD2       ARG  26   5.565  -0.121  -7.810
  202   2HD   ARG  26          HD3       ARG  26   4.480   0.774  -6.721
  203    HE   ARG  26           HE       ARG  26   5.184   2.640  -8.611
  204   1HH1  ARG  26          HH21      ARG  26   3.553  -0.518  -8.798
  205   2HH1  ARG  26          HH22      ARG  26   2.694  -0.137 -10.243
  206   1HH2  ARG  26          HH11      ARG  26   4.110   3.143 -10.510
  207   2HH2  ARG  26          HH12      ARG  26   2.995   2.021 -11.234
  208    H    VAL  27           H        VAL  27   7.893   3.958  -5.401
  209    HA   VAL  27           HA       VAL  27   9.572   2.606  -3.341
  210    HB   VAL  27           HB       VAL  27   8.903   5.578  -3.638
  211   1HG1  VAL  27          HG11      VAL  27  10.734   4.158  -1.670
  212   2HG1  VAL  27          HG12      VAL  27  10.529   5.905  -1.828
  213   3HG1  VAL  27          HG13      VAL  27   9.169   4.913  -1.294
  214   1HG2  VAL  27          HG21      VAL  27  10.534   5.050  -5.359
  215   2HG2  VAL  27          HG22      VAL  27  11.322   5.938  -4.060
  216   3HG2  VAL  27          HG23      VAL  27  11.550   4.180  -4.187
  217    H    HIS  28           H        HIS  28   8.286   1.870  -1.678
  218    HA   HIS  28           HA       HIS  28   5.404   2.543  -1.677
  219   1HB   HIS  28          HB2       HIS  28   6.973   0.488  -0.081
  220   2HB   HIS  28          HB3       HIS  28   5.219   0.618  -0.192
  221    HD1  HIS  28           HD1      HIS  28   4.629   0.632  -3.234
  222    HD2  HIS  28           HD2      HIS  28   7.731  -1.579  -1.449
  223    HE1  HIS  28           HE1      HIS  28   5.185  -1.256  -4.843
  224    H    SER  29           H        SER  29   4.304   3.186   0.270
  225    HA   SER  29           HA       SER  29   5.600   5.299   1.629
  226   1HB   SER  29          HB2       SER  29   3.308   5.548   2.662
  227   2HB   SER  29          HB3       SER  29   3.302   5.436   0.905
  228    HG   SER  29           HG       SER  29   2.822   3.291   2.689
  229    H    ALA  30           H        ALA  30   7.084   3.078   2.494
  230    HA   ALA  30           HA       ALA  30   6.164   2.605   5.283
  231   1HB   ALA  30          HB1       ALA  30   6.539   0.639   3.852
  232   2HB   ALA  30          HB2       ALA  30   8.247   1.098   3.672
  233   3HB   ALA  30          HB3       ALA  30   7.602   0.661   5.265
  234    HA   PRO  31           HA       PRO  31  10.363   5.167   5.496
  235   1HB   PRO  31          HB2       PRO  31   8.447   7.337   6.368
  236   2HB   PRO  31          HB3       PRO  31  10.123   7.484   5.743
  237   1HG   PRO  31          HG2       PRO  31   8.007   7.871   4.084
  238   2HG   PRO  31          HG3       PRO  31   9.419   6.920   3.532
  239   1HD   PRO  31          HD2       PRO  31   6.751   5.930   4.555
  240   2HD   PRO  31          HD3       PRO  31   7.751   5.343   3.185
  241    H    ARG  32           H        ARG  32  11.304   4.723   7.330
  242    HA   ARG  32           HA       ARG  32  11.614   3.543   9.250
  243   1HB   ARG  32          HB2       ARG  32  10.242   6.032  10.312
  244   2HB   ARG  32          HB3       ARG  32  11.368   5.018  11.205
  245   1HG   ARG  32          HG2       ARG  32  12.005   6.763   8.792
  246   2HG   ARG  32          HG3       ARG  32  12.498   7.032  10.452
  247   1HD   ARG  32          HD2       ARG  32  13.446   4.739   8.679
  248   2HD   ARG  32          HD3       ARG  32  14.352   6.200   9.078
  249    HE   ARG  32           HE       ARG  32  13.591   4.988  11.505
  250   1HH1  ARG  32          HH21      ARG  32  15.804   4.312   8.766
  251   2HH1  ARG  32          HH22      ARG  32  16.853   3.335   9.720
  252   1HH2  ARG  32          HH11      ARG  32  15.022   3.684  12.731
  253   2HH2  ARG  32          HH12      ARG  32  16.415   2.985  12.004
  254    H    SER  33           H        SER  33   9.077   2.659   8.039
  255    HA   SER  33           HA       SER  33   7.137   1.639   8.463
  256   1HB   SER  33          HB2       SER  33   8.472   0.738  11.043
  257   2HB   SER  33          HB3       SER  33   7.158  -0.075  10.176
  258    HG   SER  33           HG       SER  33   9.212  -0.992   9.724
  259    H    GLY  34           H        GLY  34   7.245   4.436   9.316
  260   1HA   GLY  34          HA2       GLY  34   6.042   4.672  11.937
  261   2HA   GLY  34          HA3       GLY  34   6.413   5.963  10.788
  262    H    ALA  35           H        ALA  35   4.631   3.964   8.895
  263    HA   ALA  35           HA       ALA  35   1.965   4.629   9.914
  264   1HB   ALA  35          HB1       ALA  35   2.606   6.622   8.573
  265   2HB   ALA  35          HB2       ALA  35   2.985   5.574   7.189
  266   3HB   ALA  35          HB3       ALA  35   1.311   5.703   7.775
  267    HA   PRO  36           HA       PRO  36   1.552   0.668   7.879
  268   1HB   PRO  36          HB2       PRO  36  -1.069   0.084   8.348
  269   2HB   PRO  36          HB3       PRO  36   0.062   0.350   9.708
  270   1HG   PRO  36          HG2       PRO  36  -1.810   2.387   8.433
  271   2HG   PRO  36          HG3       PRO  36  -1.669   1.961  10.171
  272   1HD   PRO  36          HD2       PRO  36  -0.331   4.084   9.061
  273   2HD   PRO  36          HD3       PRO  36   0.366   3.104  10.386
  274    H    ALA  37           H        ALA  37   0.816   3.348   6.330
  275    HA   ALA  37           HA       ALA  37  -1.096   2.781   4.336
  276   1HB   ALA  37          HB1       ALA  37  -0.194   5.000   4.867
  277   2HB   ALA  37          HB2       ALA  37   1.432   4.478   4.373
  278   3HB   ALA  37          HB3       ALA  37   0.135   4.624   3.157
  279    H    ALA  38           H        ALA  38  -0.717   2.342   2.061
  280    HA   ALA  38           HA       ALA  38   1.823   1.113   1.258
  281   1HB   ALA  38          HB1       ALA  38   0.429  -0.814   1.995
  282   2HB   ALA  38          HB2       ALA  38  -0.849  -0.308   0.860
  283   3HB   ALA  38          HB3       ALA  38   0.738  -0.834   0.250
  284    H    GLU  39           H        GLU  39   1.057   3.609   0.767
  285    HA   GLU  39           HA       GLU  39  -0.072   3.804  -1.951
  286   1HB   GLU  39          HB2       GLU  39   1.208   5.885  -0.106
  287   2HB   GLU  39          HB3       GLU  39   0.509   6.228  -1.686
  288   1HG   GLU  39          HG2       GLU  39  -0.982   5.254   0.788
  289   2HG   GLU  39          HG3       GLU  39  -1.024   6.869   0.102
  290    H    SER  40           H        SER  40   1.520   5.004  -3.567
  291    HA   SER  40           HA       SER  40   4.334   4.576  -3.034
  292   1HB   SER  40          HB2       SER  40   3.057   3.047  -5.339
  293   2HB   SER  40          HB3       SER  40   4.763   3.046  -4.875
  294    HG   SER  40           HG       SER  40   3.262   2.417  -2.756
  295    H    LYS  41           H        LYS  41   5.688   5.331  -4.793
  296    HA   LYS  41           HA       LYS  41   4.561   6.748  -7.030
  297   1HB   LYS  41          HB2       LYS  41   5.701   8.948  -6.501
  298   2HB   LYS  41          HB3       LYS  41   4.245   8.583  -5.609
  299   1HG   LYS  41          HG2       LYS  41   5.647   9.577  -4.060
  300   2HG   LYS  41          HG3       LYS  41   5.627   7.877  -3.658
  301   1HD   LYS  41          HD2       LYS  41   7.828   8.717  -3.290
  302   2HD   LYS  41          HD3       LYS  41   7.888   7.600  -4.636
  303   1HE   LYS  41          HE2       LYS  41   9.283   9.533  -5.056
  304   2HE   LYS  41          HE3       LYS  41   7.974   9.493  -6.232
  305   1HZ   LYS  41          HZ1       LYS  41   8.330  11.694  -5.403
  306   2HZ   LYS  41          HZ2       LYS  41   6.860  11.214  -4.887
  307   3HZ   LYS  41          HZ3       LYS  41   8.101  11.235  -3.815
  308    H    GLU  42           H        GLU  42   6.408   7.663  -8.381
  309    HA   GLU  42           HA       GLU  42   8.631   5.692  -8.246
  310   1HB   GLU  42          HB2       GLU  42   7.162   7.089 -10.507
  311   2HB   GLU  42          HB3       GLU  42   8.810   6.515 -10.720
  312   1HG   GLU  42          HG2       GLU  42   7.396   4.855 -11.585
  313   2HG   GLU  42          HG3       GLU  42   8.140   4.220 -10.123
  314    H    ILE  43           H        ILE  43  10.754   6.403  -8.672
  315    HA   ILE  43           HA       ILE  43  11.243   9.328  -8.783
  316    HB   ILE  43           HB       ILE  43  13.162   9.052  -7.290
  317   1HG1  ILE  43          HG12      ILE  43  12.108   6.269  -6.662
  318   2HG1  ILE  43          HG13      ILE  43  13.540   6.592  -7.638
  319   1HG2  ILE  43          HG21      ILE  43  10.656   8.092  -5.876
  320   2HG2  ILE  43          HG22      ILE  43  11.935   9.161  -5.252
  321   3HG2  ILE  43          HG23      ILE  43  10.849   9.742  -6.518
  322   1HD1  ILE  43          HD11      ILE  43  13.245   7.393  -4.713
  323   2HD1  ILE  43          HD12      ILE  43  14.108   5.988  -5.336
  324   3HD1  ILE  43          HD13      ILE  43  14.679   7.621  -5.745
  325    H    VAL  44           H        VAL  44  13.265   9.887  -9.695
  326    HA   VAL  44           HA       VAL  44  14.119   7.971 -11.828
  327    HB   VAL  44           HB       VAL  44  13.797  11.011 -11.850
  328   1HG1  VAL  44          HG11      VAL  44  15.493  10.252 -13.469
  329   2HG1  VAL  44          HG12      VAL  44  14.326   9.102 -14.154
  330   3HG1  VAL  44          HG13      VAL  44  14.046  10.846 -14.287
  331   1HG2  VAL  44          HG21      VAL  44  11.865  10.656 -13.338
  332   2HG2  VAL  44          HG22      VAL  44  11.968   8.900 -13.055
  333   3HG2  VAL  44          HG23      VAL  44  11.568  10.015 -11.731
  334    H    ARG  45           H        ARG  45  16.292   7.478 -11.737
  335    HA   ARG  45           HA       ARG  45  18.180   9.602 -10.856
  336   1HB   ARG  45          HB2       ARG  45  18.342   6.638 -10.120
  337   2HB   ARG  45          HB3       ARG  45  19.723   7.707 -10.136
  338   1HG   ARG  45          HG2       ARG  45  17.498   7.636  -8.139
  339   2HG   ARG  45          HG3       ARG  45  19.249   7.483  -7.956
  340   1HD   ARG  45          HD2       ARG  45  19.107   9.541  -7.111
  341   2HD   ARG  45          HD3       ARG  45  19.235  10.006  -8.806
  342    HE   ARG  45           HE       ARG  45  16.901  10.398  -8.891
  343   1HH1  ARG  45          HH21      ARG  45  17.905   9.611  -5.561
  344   2HH1  ARG  45          HH22      ARG  45  16.366   9.997  -4.883
  345   1HH2  ARG  45          HH11      ARG  45  14.897  10.901  -7.980
  346   2HH2  ARG  45          HH12      ARG  45  14.658  10.816  -6.265
  347    H    GLY  46           H        GLY  46  20.168   9.560 -12.045
  348   1HA   GLY  46          HA2       GLY  46  20.883   7.348 -13.682
  349   2HA   GLY  46          HA3       GLY  46  20.243   8.657 -14.695
  350    H    TYR  47           H        TYR  47  23.049   7.428 -14.027
  351    HA   TYR  47           HA       TYR  47  24.526   9.969 -13.948
  352   1HB   TYR  47          HB2       TYR  47  25.081   7.739 -11.937
  353   2HB   TYR  47          HB3       TYR  47  25.956   9.247 -12.112
  354    HD1  TYR  47           HD1      TYR  47  25.089  11.337 -11.157
  355    HD2  TYR  47           HD2      TYR  47  22.952   7.623 -10.771
  356    HE1  TYR  47           HE1      TYR  47  23.712  12.333  -9.354
  357    HE2  TYR  47           HE2      TYR  47  21.599   8.581  -8.928
  358    HH   TYR  47           HH       TYR  47  21.270  10.435  -7.536
  359    H    LYS  48           H        LYS  48  26.673   9.651 -14.847
  360    HA   LYS  48           HA       LYS  48  27.007   7.312 -16.487
  361   1HB   LYS  48          HB2       LYS  48  29.206   8.221 -17.033
  362   2HB   LYS  48          HB3       LYS  48  27.927   9.419 -17.203
  363   1HG   LYS  48          HG2       LYS  48  28.591  10.475 -15.070
  364   2HG   LYS  48          HG3       LYS  48  29.854   9.248 -14.833
  365   1HD   LYS  48          HD2       LYS  48  31.019   9.981 -16.850
  366   2HD   LYS  48          HD3       LYS  48  29.709  11.115 -17.232
  367   1HE   LYS  48          HE2       LYS  48  30.166  12.370 -15.149
  368   2HE   LYS  48          HE3       LYS  48  31.470  11.244 -14.744
  369   1HZ   LYS  48          HZ1       LYS  48  32.652  11.984 -16.711
  370   2HZ   LYS  48          HZ2       LYS  48  31.421  12.972 -17.164
  371   3HZ   LYS  48          HZ3       LYS  48  32.278  13.283 -15.800
  372    H    TRP  49           H        TRP  49  28.062   8.052 -13.150
  373    HA   TRP  49           HA       TRP  49  30.025   5.979 -13.078
  374   1HB   TRP  49          HB2       TRP  49  29.839   6.121 -10.625
  375   2HB   TRP  49          HB3       TRP  49  30.188   7.628 -11.435
  376    HD1  TRP  49           HD1      TRP  49  28.824   9.646 -10.757
  377    HE1  TRP  49           HE1      TRP  49  26.812  10.112  -9.263
  378    HE3  TRP  49           HE3      TRP  49  27.385   4.817  -9.790
  379    HZ2  TRP  49           HZ2      TRP  49  24.756   8.591  -7.900
  380    HZ3  TRP  49           HZ3      TRP  49  25.353   4.368  -8.477
  381    HH2  TRP  49           HH2      TRP  49  24.005   6.229  -7.544
  382    H    ALA  50           H        ALA  50  26.476   5.904 -12.607
  383    HA   ALA  50           HA       ALA  50  26.545   3.025 -12.050
  384   1HB   ALA  50          HB1       ALA  50  24.138   3.150 -12.158
  385   2HB   ALA  50          HB2       ALA  50  24.784   4.306 -10.991
  386   3HB   ALA  50          HB3       ALA  50  24.201   4.885 -12.579
  387    H    GLU  51           H        GLU  51  27.972   2.817 -13.975
  388    HA   GLU  51           HA       GLU  51  27.078   3.241 -16.610
  389   1HB   GLU  51          HB2       GLU  51  29.411   2.661 -15.504
  390   2HB   GLU  51          HB3       GLU  51  28.989   0.999 -15.867
  391   1HG   GLU  51          HG2       GLU  51  28.998   3.263 -17.922
  392   2HG   GLU  51          HG3       GLU  51  30.438   2.342 -17.514
  393    H    TYR  52           H        TYR  52  25.820   1.049 -14.350
  394    HA   TYR  52           HA       TYR  52  24.235  -0.282 -16.416
  395   1HB   TYR  52          HB2       TYR  52  24.393  -2.343 -14.693
  396   2HB   TYR  52          HB3       TYR  52  25.388  -2.189 -16.127
  397    HD1  TYR  52           HD1      TYR  52  25.426  -2.274 -12.464
  398    HD2  TYR  52           HD2      TYR  52  27.722  -1.384 -15.996
  399    HE1  TYR  52           HE1      TYR  52  27.508  -2.352 -11.119
  400    HE2  TYR  52           HE2      TYR  52  29.817  -1.432 -14.668
  401    HH   TYR  52           HH       TYR  52  30.754  -1.758 -12.550
  402    H    HIS  53           H        HIS  53  22.149  -0.413 -15.789
  403    HA   HIS  53           HA       HIS  53  21.107   1.369 -13.967
  404   1HB   HIS  53          HB2       HIS  53  19.545  -1.096 -14.744
  405   2HB   HIS  53          HB3       HIS  53  18.989   0.571 -14.617
  406    HD1  HIS  53           HD1      HIS  53  19.406   2.101 -16.862
  407    HD2  HIS  53           HD2      HIS  53  20.836  -1.862 -16.962
  408    HE1  HIS  53           HE1      HIS  53  20.240   1.672 -19.248
  409    H    ALA  54           H        ALA  54  21.920  -2.045 -13.419
  410    HA   ALA  54           HA       ALA  54  20.536  -2.457 -10.992
  411   1HB   ALA  54          HB1       ALA  54  21.612  -4.267 -12.284
  412   2HB   ALA  54          HB2       ALA  54  23.219  -3.598 -11.896
  413   3HB   ALA  54          HB3       ALA  54  22.185  -4.246 -10.606
  414    H    ASP  55           H        ASP  55  23.537  -0.638 -11.642
  415    HA   ASP  55           HA       ASP  55  24.465  -0.698  -8.926
  416   1HB   ASP  55          HB2       ASP  55  25.788  -0.074 -11.079
  417   2HB   ASP  55          HB3       ASP  55  25.053   1.494 -10.939
  418    H    ILE  56           H        ILE  56  22.434   1.611 -10.798
  419    HA   ILE  56           HA       ILE  56  22.139   3.367  -8.508
  420    HB   ILE  56           HB       ILE  56  19.973   4.011 -10.051
  421   1HG1  ILE  56          HG12      ILE  56  21.987   2.926 -12.021
  422   2HG1  ILE  56          HG13      ILE  56  20.245   2.703 -11.927
  423   1HG2  ILE  56          HG21      ILE  56  21.459   5.461  -8.932
  424   2HG2  ILE  56          HG22      ILE  56  22.756   5.153 -10.122
  425   3HG2  ILE  56          HG23      ILE  56  21.252   5.986 -10.597
  426   1HD1  ILE  56          HD11      ILE  56  20.802   4.109 -13.797
  427   2HD1  ILE  56          HD12      ILE  56  19.990   5.127 -12.585
  428   3HD1  ILE  56          HD13      ILE  56  21.759   5.200 -12.787
  429    H    TYR  57           H        TYR  57  20.159   0.656  -9.905
  430    HA   TYR  57           HA       TYR  57  17.971   1.097  -8.151
  431   1HB   TYR  57          HB2       TYR  57  17.769  -0.497  -9.959
  432   2HB   TYR  57          HB3       TYR  57  19.047  -1.507  -9.280
  433    HD1  TYR  57           HD1      TYR  57  15.861   0.111  -7.989
  434    HD2  TYR  57           HD2      TYR  57  18.292  -3.449  -8.202
  435    HE1  TYR  57           HE1      TYR  57  14.281  -1.042  -6.502
  436    HE2  TYR  57           HE2      TYR  57  16.681  -4.636  -6.750
  437    HH   TYR  57           HH       TYR  57  13.787  -3.056  -5.326
  438    H    ASP  58           H        ASP  58  21.014  -0.816  -7.618
  439    HA   ASP  58           HA       ASP  58  20.359  -1.627  -4.981
  440   1HB   ASP  58          HB2       ASP  58  22.135  -2.689  -6.259
  441   2HB   ASP  58          HB3       ASP  58  23.059  -1.183  -6.305
  442    H    LYS  59           H        LYS  59  22.312   1.199  -6.122
  443    HA   LYS  59           HA       LYS  59  22.967   2.244  -3.588
  444   1HB   LYS  59          HB2       LYS  59  23.980   2.943  -5.698
  445   2HB   LYS  59          HB3       LYS  59  22.478   3.663  -6.252
  446   1HG   LYS  59          HG2       LYS  59  23.887   4.622  -3.735
  447   2HG   LYS  59          HG3       LYS  59  24.362   5.164  -5.349
  448   1HD   LYS  59          HD2       LYS  59  21.997   5.968  -5.718
  449   2HD   LYS  59          HD3       LYS  59  21.683   5.683  -4.003
  450   1HE   LYS  59          HE2       LYS  59  23.851   7.509  -5.132
  451   2HE   LYS  59          HE3       LYS  59  22.278   8.041  -4.534
  452   1HZ   LYS  59          HZ1       LYS  59  24.372   6.742  -2.886
  453   2HZ   LYS  59          HZ2       LYS  59  23.960   8.314  -2.853
  454   3HZ   LYS  59          HZ3       LYS  59  22.897   7.197  -2.336
  455    H    VAL  60           H        VAL  60  20.158   3.016  -5.687
  456    HA   VAL  60           HA       VAL  60  19.078   4.929  -3.867
  457    HB   VAL  60           HB       VAL  60  17.861   3.465  -6.229
  458   1HG1  VAL  60          HG11      VAL  60  16.851   5.905  -4.658
  459   2HG1  VAL  60          HG12      VAL  60  16.133   5.246  -6.153
  460   3HG1  VAL  60          HG13      VAL  60  16.087   4.320  -4.639
  461   1HG2  VAL  60          HG21      VAL  60  18.249   5.487  -7.416
  462   2HG2  VAL  60          HG22      VAL  60  18.861   6.321  -5.955
  463   3HG2  VAL  60          HG23      VAL  60  19.792   5.018  -6.711
  464    H    SER  61           H        SER  61  18.349   1.394  -4.418
  465    HA   SER  61           HA       SER  61  16.252   1.283  -2.525
  466   1HB   SER  61          HB2       SER  61  18.265  -0.881  -3.261
  467   2HB   SER  61          HB3       SER  61  16.726  -1.124  -2.406
  468    HG   SER  61           HG       SER  61  17.209  -0.294  -5.050
  469    H    GLY  62           H        GLY  62  19.823   1.103  -2.027
  470   1HA   GLY  62          HA2       GLY  62  19.803   0.460   0.726
  471   2HA   GLY  62          HA3       GLY  62  21.039   1.413  -0.121
  472    H    ASP  63           H        ASP  63  19.772   3.732  -0.869
  473    HA   ASP  63           HA       ASP  63  19.621   5.148   1.597
  474   1HB   ASP  63          HB2       ASP  63  20.330   6.167  -0.561
  475   2HB   ASP  63          HB3       ASP  63  18.656   6.100  -1.123
  476    H    MET  64           H        MET  64  17.027   4.182  -0.739
  477    HA   MET  64           HA       MET  64  14.860   5.278   0.719
  478   1HB   MET  64          HB2       MET  64  14.967   2.777  -1.039
  479   2HB   MET  64          HB3       MET  64  13.506   3.575  -0.482
  480   1HG   MET  64          HG2       MET  64  15.544   4.884  -2.303
  481   2HG   MET  64          HG3       MET  64  14.024   4.167  -2.794
  482   1HE   MET  64          HE1       MET  64  15.684   6.932  -0.570
  483   2HE   MET  64          HE2       MET  64  15.761   7.335  -2.302
  484   3HE   MET  64          HE3       MET  64  14.797   8.330  -1.190
  485    H    GLN  65           H        GLN  65  16.401   2.010   1.081
  486    HA   GLN  65           HA       GLN  65  14.530   1.191   3.073
  487   1HB   GLN  65          HB2       GLN  65  17.273   0.281   2.158
  488   2HB   GLN  65          HB3       GLN  65  16.476  -0.511   3.526
  489   1HG   GLN  65          HG2       GLN  65  14.627  -1.233   2.165
  490   2HG   GLN  65          HG3       GLN  65  15.141  -0.232   0.809
  491   1HE2  GLN  65          HE22      GLN  65  15.085  -2.196  -0.526
  492   2HE2  GLN  65          HE21      GLN  65  16.400  -3.339  -0.450
  493    H    LYS  66           H        LYS  66  17.635   2.993   3.286
  494    HA   LYS  66           HA       LYS  66  17.804   2.943   6.161
  495   1HB   LYS  66          HB2       LYS  66  19.685   3.590   4.814
  496   2HB   LYS  66          HB3       LYS  66  18.753   4.813   3.981
  497   1HG   LYS  66          HG2       LYS  66  18.598   6.096   6.192
  498   2HG   LYS  66          HG3       LYS  66  19.727   4.901   6.851
  499   1HD   LYS  66          HD2       LYS  66  21.020   6.800   6.123
  500   2HD   LYS  66          HD3       LYS  66  21.309   5.488   4.960
  501   1HE   LYS  66          HE2       LYS  66  19.591   6.509   3.436
  502   2HE   LYS  66          HE3       LYS  66  19.368   7.828   4.583
  503   1HZ   LYS  66          HZ1       LYS  66  20.866   8.216   2.653
  504   2HZ   LYS  66          HZ2       LYS  66  21.541   8.600   4.113
  505   3HZ   LYS  66          HZ3       LYS  66  21.978   7.229   3.325
  506    H    GLN  67           H        GLN  67  16.105   5.148   3.824
  507    HA   GLN  67           HA       GLN  67  14.832   6.693   5.895
  508   1HB   GLN  67          HB2       GLN  67  13.908   6.203   3.030
  509   2HB   GLN  67          HB3       GLN  67  13.255   7.391   4.158
  510   1HG   GLN  67          HG2       GLN  67  15.615   8.380   4.320
  511   2HG   GLN  67          HG3       GLN  67  16.062   7.317   2.989
  512   1HE2  GLN  67          HE21      GLN  67  16.320   8.643   1.178
  513   2HE2  GLN  67          HE22      GLN  67  15.153   9.871   0.726
  514    H    GLY  68           H        GLY  68  14.121   3.539   4.519
  515   1HA   GLY  68          HA2       GLY  68  13.216   2.002   6.230
  516   2HA   GLY  68          HA3       GLY  68  11.912   3.152   6.498
  517    H    CYS  69           H        CYS  69  12.504   3.269   3.234
  518    HA   CYS  69           HA       CYS  69   9.905   2.127   2.661
  519   1HB   CYS  69          HB2       CYS  69  12.113   3.461   1.057
  520   2HB   CYS  69          HB3       CYS  69  10.635   2.865   0.291
  521    HG   CYS  69           HG       CYS  69   8.972   4.324   1.385
  522    H    ASP  70           H        ASP  70   9.696   0.788   0.628
  523    HA   ASP  70           HA       ASP  70  11.830  -1.203   0.180
  524   1HB   ASP  70          HB2       ASP  70  10.168  -2.382   1.534
  525   2HB   ASP  70          HB3       ASP  70   8.859  -1.788   0.508
  526    H    CYS  71           H        CYS  71  11.994  -1.620  -2.108
  527    HA   CYS  71           HA       CYS  71  10.362   0.141  -3.844
  528   1HB   CYS  71          HB2       CYS  71  13.415   0.220  -3.675
  529   2HB   CYS  71          HB3       CYS  71  12.377   1.226  -4.689
  530    HG   CYS  71           HG       CYS  71  12.514   1.099  -1.407
  531    H    GLU  72           H        GLU  72  10.849  -0.157  -6.184
  532    HA   GLU  72           HA       GLU  72  12.286  -2.625  -6.942
  533   1HB   GLU  72          HB2       GLU  72  10.048  -3.409  -6.405
  534   2HB   GLU  72          HB3       GLU  72   9.304  -2.110  -7.351
  535   1HG   GLU  72          HG2       GLU  72  10.165  -3.007  -9.411
  536   2HG   GLU  72          HG3       GLU  72  11.178  -4.175  -8.553
  537    H    CYS  73           H        CYS  73  13.385  -2.205  -8.830
  538    HA   CYS  73           HA       CYS  73  13.060   0.240 -10.341
  539   1HB   CYS  73          HB2       CYS  73  14.537  -1.106 -11.986
  540   2HB   CYS  73          HB3       CYS  73  15.239  -0.621 -10.448
  541    HG   CYS  73           HG       CYS  73  15.944  -3.096 -11.285
  542    H    LEU  74           H        LEU  74  11.236   0.564 -11.553
  543    HA   LEU  74           HA       LEU  74   9.525  -1.630 -12.445
  544   1HB   LEU  74          HB2       LEU  74   9.586   1.326 -13.203
  545   2HB   LEU  74          HB3       LEU  74   8.357   0.168 -13.700
  546    HG   LEU  74           HG       LEU  74   8.896   1.151 -10.872
  547   1HD1  LEU  74          HD11      LEU  74   7.654   2.667 -12.397
  548   2HD1  LEU  74          HD12      LEU  74   6.460   1.389 -12.692
  549   3HD1  LEU  74          HD13      LEU  74   6.639   2.078 -11.066
  550   1HD2  LEU  74          HD21      LEU  74   6.865  -0.204 -10.232
  551   2HD2  LEU  74          HD22      LEU  74   6.954  -1.010 -11.810
  552   3HD2  LEU  74          HD23      LEU  74   8.274  -1.185 -10.627
  553    H    GLY  75           H        GLY  75  12.244   0.212 -13.714
  554   1HA   GLY  75          HA2       GLY  75  13.102  -1.656 -15.549
  555   2HA   GLY  75          HA3       GLY  75  12.063  -0.550 -16.464
  556    H    GLY  76           H        GLY  76  14.234  -0.043 -17.502
  557   1HA   GLY  76          HA2       GLY  76  15.008   2.541 -16.498
  558   2HA   GLY  76          HA3       GLY  76  16.352   1.390 -16.406
  559    H    GLY  77           H        GLY  77  17.274   2.948 -18.015
  560   1HA   GLY  77          HA2       GLY  77  17.138   2.018 -20.706
  561   2HA   GLY  77          HA3       GLY  77  16.176   3.495 -20.523
  562    H    ARG  78           H        ARG  78  17.796   4.422 -21.977
  563    HA   ARG  78           HA       ARG  78  20.288   5.271 -20.580
  564   1HB   ARG  78          HB2       ARG  78  20.734   3.586 -22.342
  565   2HB   ARG  78          HB3       ARG  78  19.951   4.623 -23.546
  566   1HG   ARG  78          HG2       ARG  78  21.705   6.303 -23.319
  567   2HG   ARG  78          HG3       ARG  78  22.342   5.496 -21.882
  568   1HD   ARG  78          HD2       ARG  78  23.834   4.942 -23.585
  569   2HD   ARG  78          HD3       ARG  78  22.887   3.483 -23.311
  570    HE   ARG  78           HE       ARG  78  21.491   4.291 -25.343
  571   1HH1  ARG  78          HH21      ARG  78  25.038   4.587 -25.085
  572   2HH1  ARG  78          HH22      ARG  78  25.267   4.678 -26.790
  573   1HH2  ARG  78          HH11      ARG  78  21.793   4.401 -27.540
  574   2HH2  ARG  78          HH12      ARG  78  23.383   4.580 -28.224
  575    H    ILE  79           H        ILE  79  20.909   7.447 -21.042
  576    HA   ILE  79           HA       ILE  79  18.773   9.162 -22.167
  577    HB   ILE  79           HB       ILE  79  20.254   9.462 -19.516
  578   1HG1  ILE  79          HG12      ILE  79  17.335   9.106 -20.286
  579   2HG1  ILE  79          HG13      ILE  79  18.324   8.000 -19.350
  580   1HG2  ILE  79          HG21      ILE  79  20.136  11.661 -20.703
  581   2HG2  ILE  79          HG22      ILE  79  18.378  11.455 -20.895
  582   3HG2  ILE  79          HG23      ILE  79  19.104  11.656 -19.293
  583   1HD1  ILE  79          HD11      ILE  79  18.433   9.730 -17.513
  584   2HD1  ILE  79          HD12      ILE  79  17.263  10.707 -18.436
  585   3HD1  ILE  79          HD13      ILE  79  16.800   9.113 -17.858
  586    H    SER  80           H        SER  80  19.557  10.818 -23.384
  587    HA   SER  80           HA       SER  80  22.501  11.004 -23.784
  588   1HB   SER  80          HB2       SER  80  20.384  10.497 -25.919
  589   2HB   SER  80          HB3       SER  80  22.106  10.799 -26.219
  590    HG   SER  80           HG       SER  80  21.450   8.556 -26.177
  591    H    HIS  81           H        HIS  81  23.200  12.930 -24.508
  592    HA   HIS  81           HA       HIS  81  21.272  15.198 -24.674
  593   1HB   HIS  81          HB2       HIS  81  22.547  14.936 -22.511
  594   2HB   HIS  81          HB3       HIS  81  24.044  15.081 -23.417
  595    HD1  HIS  81           HD1      HIS  81  21.007  17.515 -23.957
  596    HD2  HIS  81           HD2      HIS  81  24.897  17.284 -22.319
  597    HE1  HIS  81           HE1      HIS  81  21.671  19.857 -23.345
  598    H    GLN  82           H        GLN  82  22.365  13.503 -26.829
  599    HA   GLN  82           HA       GLN  82  24.390  15.065 -28.242
  600   1HB   GLN  82          HB2       GLN  82  22.676  12.714 -29.176
  601   2HB   GLN  82          HB3       GLN  82  24.103  13.348 -29.993
  602   1HG   GLN  82          HG2       GLN  82  24.041  11.934 -27.291
  603   2HG   GLN  82          HG3       GLN  82  24.660  11.296 -28.802
  604   1HE2  GLN  82          HE22      GLN  82  25.651  12.666 -25.906
  605   2HE2  GLN  82          HE21      GLN  82  27.187  13.323 -26.435
  606    H    SER  83           H        SER  83  21.488  15.986 -27.505
  607    HA   SER  83           HA       SER  83  19.905  16.489 -29.686
  608   1HB   SER  83          HB2       SER  83  20.339  18.353 -27.343
  609   2HB   SER  83          HB3       SER  83  18.805  17.934 -28.126
  610    HG   SER  83           HG       SER  83  19.365  17.001 -25.989
  611    H    GLN  84           H        GLN  84  22.963  18.024 -28.928
  612    HA   GLN  84           HA       GLN  84  24.011  19.920 -29.498
  613   1HB   GLN  84          HB2       GLN  84  22.370  19.806 -32.061
  614   2HB   GLN  84          HB3       GLN  84  23.823  20.767 -31.787
  615   1HG   GLN  84          HG2       GLN  84  25.126  18.675 -31.389
  616   2HG   GLN  84          HG3       GLN  84  23.685  17.724 -31.759
  617   1HE2  GLN  84          HE22      GLN  84  26.315  19.609 -33.137
  618   2HE2  GLN  84          HE21      GLN  84  25.902  19.336 -34.810
  619    H    ASP  85           H        ASP  85  21.824  20.099 -27.767
  620    HA   ASP  85           HA       ASP  85  20.964  22.859 -27.837
  621   1HB   ASP  85          HB2       ASP  85  19.330  21.767 -29.406
  622   2HB   ASP  85          HB3       ASP  85  18.953  20.573 -28.165
  623    H    LYS  86           H        LYS  86  19.795  23.249 -25.692
  624    HA   LYS  86           HA       LYS  86  21.021  21.812 -23.565
  625   1HB   LYS  86          HB2       LYS  86  19.632  23.118 -22.067
  626   2HB   LYS  86          HB3       LYS  86  20.509  24.099 -23.217
  627   1HG   LYS  86          HG2       LYS  86  17.628  23.321 -23.753
  628   2HG   LYS  86          HG3       LYS  86  17.990  24.583 -22.587
  629   1HD   LYS  86          HD2       LYS  86  18.712  24.647 -25.538
  630   2HD   LYS  86          HD3       LYS  86  17.384  25.495 -24.781
  631   1HE   LYS  86          HE2       LYS  86  20.340  25.972 -24.171
  632   2HE   LYS  86          HE3       LYS  86  19.353  26.939 -25.263
  633   1HZ   LYS  86          HZ1       LYS  86  19.495  27.971 -23.108
  634   2HZ   LYS  86          HZ2       LYS  86  17.950  27.546 -23.382
  635   3HZ   LYS  86          HZ3       LYS  86  18.875  26.671 -22.351
  636    H    LYS  87           H        LYS  87  18.058  21.110 -25.308
  637    HA   LYS  87           HA       LYS  87  16.670  19.591 -23.375
  638   1HB   LYS  87          HB2       LYS  87  15.723  20.326 -25.461
  639   2HB   LYS  87          HB3       LYS  87  16.881  19.388 -26.407
  640   1HG   LYS  87          HG2       LYS  87  15.852  17.322 -25.852
  641   2HG   LYS  87          HG3       LYS  87  14.888  18.039 -24.553
  642   1HD   LYS  87          HD2       LYS  87  14.573  18.877 -27.466
  643   2HD   LYS  87          HD3       LYS  87  13.674  17.528 -26.756
  644   1HE   LYS  87          HE2       LYS  87  12.748  19.000 -25.017
  645   2HE   LYS  87          HE3       LYS  87  13.652  20.376 -25.647
  646   1HZ   LYS  87          HZ1       LYS  87  11.560  18.945 -27.182
  647   2HZ   LYS  87          HZ2       LYS  87  11.327  20.328 -26.337
  648   3HZ   LYS  87          HZ3       LYS  87  12.335  20.315 -27.637
  649    H    ILE  88           H        ILE  88  16.428  17.279 -23.177
  650    HA   ILE  88           HA       ILE  88  18.805  15.637 -23.811
  651    HB   ILE  88           HB       ILE  88  17.438  15.363 -21.128
  652   1HG1  ILE  88          HG12      ILE  88  19.786  17.252 -21.594
  653   2HG1  ILE  88          HG13      ILE  88  18.155  17.727 -21.111
  654   1HG2  ILE  88          HG21      ILE  88  18.951  13.578 -21.974
  655   2HG2  ILE  88          HG22      ILE  88  20.279  14.749 -22.017
  656   3HG2  ILE  88          HG23      ILE  88  19.525  14.280 -20.479
  657   1HD1  ILE  88          HD11      ILE  88  20.127  16.166 -19.426
  658   2HD1  ILE  88          HD12      ILE  88  19.497  17.797 -19.164
  659   3HD1  ILE  88          HD13      ILE  88  18.410  16.403 -19.004
  660    H    HIS  89           H        HIS  89  18.174  13.308 -23.876
  661    HA   HIS  89           HA       HIS  89  15.256  12.911 -24.325
  662   1HB   HIS  89          HB2       HIS  89  16.610  13.418 -26.410
  663   2HB   HIS  89          HB3       HIS  89  17.502  11.925 -26.115
  664    HD1  HIS  89           HD1      HIS  89  13.993  13.171 -27.090
  665    HD2  HIS  89           HD2      HIS  89  16.252   9.630 -26.760
  666    HE1  HIS  89           HE1      HIS  89  12.674  11.353 -28.309
  667    H    VAL  90           H        VAL  90  14.507  10.822 -23.900
  668    HA   VAL  90           HA       VAL  90  16.333   8.994 -22.397
  669    HB   VAL  90           HB       VAL  90  13.365   9.572 -21.964
  670   1HG1  VAL  90          HG11      VAL  90  14.115   7.345 -21.184
  671   2HG1  VAL  90          HG12      VAL  90  15.325   8.109 -20.144
  672   3HG1  VAL  90          HG13      VAL  90  13.596   8.387 -19.853
  673   1HG2  VAL  90          HG21      VAL  90  14.036  10.762 -19.870
  674   2HG2  VAL  90          HG22      VAL  90  15.723  10.728 -20.429
  675   3HG2  VAL  90          HG23      VAL  90  14.489  11.615 -21.344
  676    H    TYR  91           H        TYR  91  16.350   6.850 -23.197
  677    HA   TYR  91           HA       TYR  91  14.067   5.783 -24.630
  678   1HB   TYR  91          HB2       TYR  91  15.188   5.451 -26.784
  679   2HB   TYR  91          HB3       TYR  91  14.878   7.112 -26.422
  680    HD1  TYR  91           HD1      TYR  91  17.918   5.899 -24.721
  681    HD2  TYR  91           HD2      TYR  91  16.304   7.465 -28.407
  682    HE1  TYR  91           HE1      TYR  91  20.171   6.560 -25.422
  683    HE2  TYR  91           HE2      TYR  91  18.576   8.060 -29.152
  684    HH   TYR  91           HH       TYR  91  20.851   8.099 -28.598
  685    H    GLY  92           H        GLY  92  15.267   3.668 -25.961
  686   1HA   GLY  92          HA2       GLY  92  16.282   1.664 -25.703
  687   2HA   GLY  92          HA3       GLY  92  17.306   2.379 -24.449
  688    H    TYR  93           H        TYR  93  17.167   0.361 -23.348
  689    HA   TYR  93           HA       TYR  93  14.917   0.148 -21.520
  690   1HB   TYR  93          HB2       TYR  93  14.762  -2.335 -21.929
  691   2HB   TYR  93          HB3       TYR  93  14.089  -1.341 -23.204
  692    HD1  TYR  93           HD1      TYR  93  14.961  -1.404 -25.455
  693    HD2  TYR  93           HD2      TYR  93  16.916  -3.583 -22.284
  694    HE1  TYR  93           HE1      TYR  93  16.293  -2.647 -27.133
  695    HE2  TYR  93           HE2      TYR  93  18.256  -4.821 -23.947
  696    HH   TYR  93           HH       TYR  93  18.715  -5.143 -26.210
  697    H    SER  94           H        SER  94  15.559  -1.073 -19.597
  698    HA   SER  94           HA       SER  94  18.340  -0.816 -19.014
  699   1HB   SER  94          HB2       SER  94  16.933  -0.603 -17.171
  700   2HB   SER  94          HB3       SER  94  16.026  -2.080 -17.544
  701    HG   SER  94           HG       SER  94  17.771  -2.064 -15.806
  702    H    MET  95           H        MET  95  19.955  -2.204 -19.185
  703    HA   MET  95           HA       MET  95  19.879  -4.621 -20.672
  704   1HB   MET  95          HB2       MET  95  21.883  -3.658 -18.589
  705   2HB   MET  95          HB3       MET  95  22.168  -4.950 -19.758
  706   1HG   MET  95          HG2       MET  95  21.886  -3.369 -21.622
  707   2HG   MET  95          HG3       MET  95  21.604  -2.047 -20.493
  708   1HE   MET  95          HE1       MET  95  23.406  -0.924 -18.973
  709   2HE   MET  95          HE2       MET  95  23.783  -2.470 -18.176
  710   3HE   MET  95          HE3       MET  95  25.093  -1.475 -18.835
  711    H    ALA  96           H        ALA  96  18.876  -4.053 -17.379
  712    HA   ALA  96           HA       ALA  96  19.045  -6.977 -16.760
  713   1HB   ALA  96          HB1       ALA  96  20.654  -5.623 -15.460
  714   2HB   ALA  96          HB2       ALA  96  19.319  -4.596 -14.877
  715   3HB   ALA  96          HB3       ALA  96  19.389  -6.311 -14.424
  716    H    TYR  97           H        TYR  97  16.987  -4.110 -16.815
  717    HA   TYR  97           HA       TYR  97  14.794  -5.654 -15.500
  718   1HB   TYR  97          HB2       TYR  97  15.299  -2.677 -15.276
  719   2HB   TYR  97          HB3       TYR  97  14.144  -3.636 -14.366
  720    HD1  TYR  97           HD1      TYR  97  15.642  -5.917 -13.344
  721    HD2  TYR  97           HD2      TYR  97  16.849  -1.789 -13.737
  722    HE1  TYR  97           HE1      TYR  97  17.307  -6.243 -11.557
  723    HE2  TYR  97           HE2      TYR  97  18.510  -2.105 -11.936
  724    HH   TYR  97           HH       TYR  97  18.974  -5.272 -10.278
  725    H    GLY  98           H        GLY  98  15.580  -4.458 -18.519
  726   1HA   GLY  98          HA2       GLY  98  14.239  -4.229 -20.367
  727   2HA   GLY  98          HA3       GLY  98  12.827  -4.589 -19.369
  728    HA   PRO  99           HA       PRO  99  12.990  -0.105 -20.732
  729   1HB   PRO  99          HB2       PRO  99  10.518   0.087 -21.930
  730   2HB   PRO  99          HB3       PRO  99  11.988  -0.479 -22.769
  731   1HG   PRO  99          HG2       PRO  99   9.788  -2.142 -21.520
  732   2HG   PRO  99          HG3       PRO  99  10.582  -2.365 -23.109
  733   1HD   PRO  99          HD2       PRO  99  11.290  -3.806 -20.897
  734   2HD   PRO  99          HD3       PRO  99  12.497  -3.314 -22.122
  735    H    ALA 100           H        ALA 100  12.523   1.411 -19.298
  736    HA   ALA 100           HA       ALA 100  10.538   1.085 -17.174
  737   1HB   ALA 100          HB1       ALA 100  12.277   3.365 -18.191
  738   2HB   ALA 100          HB2       ALA 100  11.220   3.517 -16.779
  739   3HB   ALA 100          HB3       ALA 100  12.571   2.391 -16.745
  740    H    GLN 101           H        GLN 101   8.899   2.836 -16.865
  741    HA   GLN 101           HA       GLN 101   7.374   3.488 -19.304
  742   1HB   GLN 101          HB2       GLN 101   6.930   4.027 -16.329
  743   2HB   GLN 101          HB3       GLN 101   5.887   4.654 -17.614
  744   1HG   GLN 101          HG2       GLN 101   5.301   2.416 -18.336
  745   2HG   GLN 101          HG3       GLN 101   6.411   1.694 -17.159
  746   1HE2  GLN 101          HE22      GLN 101   3.418   3.697 -17.444
  747   2HE2  GLN 101          HE21      GLN 101   2.788   3.264 -15.876
  748    H    HIS 102           H        HIS 102   9.334   4.647 -20.176
  749    HA   HIS 102           HA       HIS 102  10.586   6.809 -18.963
  750   1HB   HIS 102          HB2       HIS 102   9.979   6.444 -21.913
  751   2HB   HIS 102          HB3       HIS 102  11.244   7.478 -21.245
  752    HD1  HIS 102           HD1      HIS 102  10.826   4.008 -22.511
  753    HD2  HIS 102           HD2      HIS 102  12.989   5.945 -19.475
  754    HE1  HIS 102           HE1      HIS 102  12.672   2.407 -21.784
  755    H    ALA 103           H        ALA 103   7.348   6.785 -20.263
  756    HA   ALA 103           HA       ALA 103   6.851   9.549 -20.603
  757   1HB   ALA 103          HB1       ALA 103   5.246   7.777 -21.210
  758   2HB   ALA 103          HB2       ALA 103   5.056   7.336 -19.496
  759   3HB   ALA 103          HB3       ALA 103   4.511   8.924 -20.076
  760    H    ILE 104           H        ILE 104   7.052   7.530 -17.620
  761    HA   ILE 104           HA       ILE 104   6.152   9.571 -15.793
  762    HB   ILE 104           HB       ILE 104   7.996   7.179 -15.329
  763   1HG1  ILE 104          HG12      ILE 104   5.714   6.544 -16.207
  764   2HG1  ILE 104          HG13      ILE 104   6.125   5.889 -14.630
  765   1HG2  ILE 104          HG21      ILE 104   6.549   8.991 -13.360
  766   2HG2  ILE 104          HG22      ILE 104   7.204   7.396 -12.934
  767   3HG2  ILE 104          HG23      ILE 104   8.288   8.680 -13.487
  768   1HD1  ILE 104          HD11      ILE 104   3.783   6.758 -14.833
  769   2HD1  ILE 104          HD12      ILE 104   4.722   7.438 -13.493
  770   3HD1  ILE 104          HD13      ILE 104   4.457   8.413 -14.972
  771    H    SER 105           H        SER 105   9.418   8.434 -16.902
  772    HA   SER 105           HA       SER 105  10.853  10.136 -15.221
  773   1HB   SER 105          HB2       SER 105  11.592   9.001 -17.955
  774   2HB   SER 105          HB3       SER 105  12.722   9.551 -16.705
  775    HG   SER 105           HG       SER 105  11.681   7.989 -15.295
  776    H    THR 106           H        THR 106   9.867  10.630 -18.622
  777    HA   THR 106           HA       THR 106  10.905  13.286 -18.794
  778    HB   THR 106           HB       THR 106   9.209  13.494 -20.700
  779    HG1  THR 106           HG1      THR 106   8.970  10.686 -20.283
  780   1HG2  THR 106          HG21      THR 106  11.582  12.891 -21.023
  781   2HG2  THR 106          HG22      THR 106  11.198  11.179 -20.756
  782   3HG2  THR 106          HG23      THR 106  10.520  12.048 -22.155
  783    H    GLU 107           H        GLU 107   7.608  12.129 -17.746
  784    HA   GLU 107           HA       GLU 107   6.565  14.718 -17.376
  785   1HB   GLU 107          HB2       GLU 107   5.899  11.998 -16.158
  786   2HB   GLU 107          HB3       GLU 107   5.181  13.461 -15.499
  787   1HG   GLU 107          HG2       GLU 107   4.292  14.108 -17.686
  788   2HG   GLU 107          HG3       GLU 107   5.035  12.706 -18.445
  789    H    LYS 108           H        LYS 108   8.331  12.656 -14.995
  790    HA   LYS 108           HA       LYS 108   8.151  14.592 -12.887
  791   1HB   LYS 108          HB2       LYS 108  10.127  12.305 -13.336
  792   2HB   LYS 108          HB3       LYS 108  10.014  13.258 -11.863
  793   1HG   LYS 108          HG2       LYS 108   7.903  11.352 -12.918
  794   2HG   LYS 108          HG3       LYS 108   8.927  11.182 -11.497
  795   1HD   LYS 108          HD2       LYS 108   7.769  13.435 -10.720
  796   2HD   LYS 108          HD3       LYS 108   6.585  13.052 -11.967
  797   1HE   LYS 108          HE2       LYS 108   5.754  12.246  -9.884
  798   2HE   LYS 108          HE3       LYS 108   6.176  10.830 -10.853
  799   1HZ   LYS 108          HZ1       LYS 108   8.025  10.417  -9.448
  800   2HZ   LYS 108          HZ2       LYS 108   8.124  11.952  -8.923
  801   3HZ   LYS 108          HZ3       LYS 108   6.923  10.978  -8.392
  802    H    ILE 109           H        ILE 109  10.779  13.952 -15.295
  803    HA   ILE 109           HA       ILE 109  12.519  15.949 -14.218
  804    HB   ILE 109           HB       ILE 109  12.298  14.672 -16.965
  805   1HG1  ILE 109          HG12      ILE 109  14.548  14.438 -14.905
  806   2HG1  ILE 109          HG13      ILE 109  13.136  13.382 -14.842
  807   1HG2  ILE 109          HG21      ILE 109  14.457  16.590 -15.975
  808   2HG2  ILE 109          HG22      ILE 109  14.532  15.676 -17.475
  809   3HG2  ILE 109          HG23      ILE 109  13.312  16.929 -17.277
  810   1HD1  ILE 109          HD11      ILE 109  13.626  12.565 -17.144
  811   2HD1  ILE 109          HD12      ILE 109  15.097  13.562 -17.172
  812   3HD1  ILE 109          HD13      ILE 109  14.946  12.251 -16.001
  813    H    LYS 110           H        LYS 110   9.963  16.181 -16.843
  814    HA   LYS 110           HA       LYS 110  10.497  18.944 -17.301
  815   1HB   LYS 110          HB2       LYS 110   8.009  17.244 -17.750
  816   2HB   LYS 110          HB3       LYS 110   8.052  18.976 -18.092
  817   1HG   LYS 110          HG2       LYS 110  10.025  18.629 -19.594
  818   2HG   LYS 110          HG3       LYS 110   9.905  16.890 -19.334
  819   1HD   LYS 110          HD2       LYS 110   8.895  17.525 -21.462
  820   2HD   LYS 110          HD3       LYS 110   7.665  16.865 -20.377
  821   1HE   LYS 110          HE2       LYS 110   6.746  19.021 -19.909
  822   2HE   LYS 110          HE3       LYS 110   8.155  19.867 -20.564
  823   1HZ   LYS 110          HZ1       LYS 110   7.495  19.430 -22.728
  824   2HZ   LYS 110          HZ2       LYS 110   6.411  18.244 -22.305
  825   3HZ   LYS 110          HZ3       LYS 110   6.105  19.813 -21.983
  826    H    ALA 111           H        ALA 111   8.312  17.355 -14.914
  827    HA   ALA 111           HA       ALA 111   7.131  19.748 -13.958
  828   1HB   ALA 111          HB1       ALA 111   7.669  17.134 -12.475
  829   2HB   ALA 111          HB2       ALA 111   6.545  18.410 -11.971
  830   3HB   ALA 111          HB3       ALA 111   6.239  17.505 -13.465
  831    H    LYS 112           H        LYS 112  10.067  17.972 -12.775
  832    HA   LYS 112           HA       LYS 112  10.572  19.979 -10.737
  833   1HB   LYS 112          HB2       LYS 112  12.223  17.654 -11.798
  834   2HB   LYS 112          HB3       LYS 112  12.772  18.711 -10.497
  835   1HG   LYS 112          HG2       LYS 112  10.217  17.054 -10.418
  836   2HG   LYS 112          HG3       LYS 112  11.753  16.618  -9.657
  837   1HD   LYS 112          HD2       LYS 112  11.603  18.722  -8.271
  838   2HD   LYS 112          HD3       LYS 112   9.983  18.999  -8.948
  839   1HE   LYS 112          HE2       LYS 112   9.267  16.766  -8.091
  840   2HE   LYS 112          HE3       LYS 112  10.857  16.575  -7.336
  841   1HZ   LYS 112          HZ1       LYS 112  10.380  18.543  -5.991
  842   2HZ   LYS 112          HZ2       LYS 112   8.910  18.713  -6.684
  843   3HZ   LYS 112          HZ3       LYS 112   9.230  17.414  -5.761
  844    H    TYR 113           H        TYR 113  11.478  19.680 -14.076
  845    HA   TYR 113           HA       TYR 113  12.766  20.814 -15.461
  846   1HB   TYR 113          HB2       TYR 113  10.932  22.432 -14.833
  847   2HB   TYR 113          HB3       TYR 113  12.079  23.252 -13.796
  848    HD1  TYR 113           HD1      TYR 113  11.348  22.236 -17.322
  849    HD2  TYR 113           HD2      TYR 113  13.631  24.848 -14.753
  850    HE1  TYR 113           HE1      TYR 113  11.981  23.610 -19.286
  851    HE2  TYR 113           HE2      TYR 113  14.275  26.220 -16.705
  852    HH   TYR 113           HH       TYR 113  14.031  26.552 -18.994
  853    HA   PRO 114           HA       PRO 114  16.265  20.755 -12.354
  854   1HB   PRO 114          HB2       PRO 114  17.741  18.650 -13.333
  855   2HB   PRO 114          HB3       PRO 114  16.330  18.439 -12.251
  856   1HG   PRO 114          HG2       PRO 114  16.394  18.245 -15.267
  857   2HG   PRO 114          HG3       PRO 114  15.671  17.106 -14.080
  858   1HD   PRO 114          HD2       PRO 114  14.171  18.985 -15.361
  859   2HD   PRO 114          HD3       PRO 114  13.865  18.548 -13.651
  860    H    ASP 115           H        ASP 115  16.151  20.922 -15.862
  861    HA   ASP 115           HA       ASP 115  18.125  23.044 -15.773
  862   1HB   ASP 115          HB2       ASP 115  19.653  21.126 -16.079
  863   2HB   ASP 115          HB3       ASP 115  18.729  20.601 -17.488
  864    H    TYR 116           H        TYR 116  16.236  20.849 -17.979
  865    HA   TYR 116           HA       TYR 116  14.890  23.124 -19.171
  866   1HB   TYR 116          HB2       TYR 116  17.172  22.905 -20.369
  867   2HB   TYR 116          HB3       TYR 116  16.592  21.365 -20.982
  868    HD1  TYR 116           HD1      TYR 116  15.373  21.378 -23.050
  869    HD2  TYR 116           HD2      TYR 116  15.658  25.002 -20.733
  870    HE1  TYR 116           HE1      TYR 116  14.289  22.631 -24.888
  871    HE2  TYR 116           HE2      TYR 116  14.555  26.262 -22.553
  872    HH   TYR 116           HH       TYR 116  13.616  26.157 -24.687
  873    H    GLU 117           H        GLU 117  13.625  22.085 -21.207
  874    HA   GLU 117           HA       GLU 117  11.913  19.955 -20.302
  875   1HB   GLU 117          HB2       GLU 117  11.081  21.662 -21.807
  876   2HB   GLU 117          HB3       GLU 117  12.361  21.342 -22.986
  877   1HG   GLU 117          HG2       GLU 117  11.428  19.159 -23.504
  878   2HG   GLU 117          HG3       GLU 117  10.248  19.308 -22.198
  879    H    VAL 118           H        VAL 118  11.752  17.833 -21.317
  880    HA   VAL 118           HA       VAL 118  14.106  16.826 -22.751
  881    HB   VAL 118           HB       VAL 118  14.131  14.802 -21.319
  882   1HG1  VAL 118          HG11      VAL 118  15.669  16.797 -20.958
  883   2HG1  VAL 118          HG12      VAL 118  14.625  17.276 -19.615
  884   3HG1  VAL 118          HG13      VAL 118  15.471  15.711 -19.572
  885   1HG2  VAL 118          HG21      VAL 118  12.396  16.356 -19.341
  886   2HG2  VAL 118          HG22      VAL 118  11.787  15.064 -20.376
  887   3HG2  VAL 118          HG23      VAL 118  13.039  14.701 -19.184
  888    H    THR 119           H        THR 119  13.564  14.535 -23.598
  889    HA   THR 119           HA       THR 119  10.682  14.202 -24.225
  890    HB   THR 119           HB       THR 119  11.448  13.823 -26.655
  891    HG1  THR 119           HG1      THR 119  13.654  15.336 -25.691
  892   1HG2  THR 119          HG21      THR 119  11.557  16.673 -25.598
  893   2HG2  THR 119          HG22      THR 119  11.263  16.166 -27.279
  894   3HG2  THR 119          HG23      THR 119  10.091  15.761 -26.012
  895    H    TRP 120           H        TRP 120  10.436  12.022 -25.533
  896    HA   TRP 120           HA       TRP 120  12.609  10.166 -25.077
  897   1HB   TRP 120          HB2       TRP 120  11.350   8.478 -23.931
  898   2HB   TRP 120          HB3       TRP 120  11.232   9.934 -22.967
  899    HD1  TRP 120           HD1      TRP 120   8.738  11.319 -23.634
  900    HE1  TRP 120           HE1      TRP 120   6.408  10.291 -23.649
  901    HE3  TRP 120           HE3      TRP 120  10.053   6.442 -24.417
  902    HZ2  TRP 120           HZ2      TRP 120   5.245   7.637 -23.908
  903    HZ3  TRP 120           HZ3      TRP 120   8.318   4.679 -24.505
  904    HH2  TRP 120           HH2      TRP 120   5.913   5.261 -24.259
  905    H    ALA 121           H        ALA 121  12.267   8.132 -26.198
  906    HA   ALA 121           HA       ALA 121   9.931   7.865 -27.883
  907   1HB   ALA 121          HB1       ALA 121  12.739   7.961 -29.123
  908   2HB   ALA 121          HB2       ALA 121  11.257   7.465 -29.967
  909   3HB   ALA 121          HB3       ALA 121  11.437   9.140 -29.412
  910    H    ASN 122           H        ASN 122   9.463   5.665 -27.985
  911    HA   ASN 122           HA       ASN 122  11.063   3.840 -26.403
  912   1HB   ASN 122          HB2       ASN 122   8.601   3.726 -26.549
  913   2HB   ASN 122          HB3       ASN 122   8.707   3.347 -28.270
  914   1HD2  ASN 122          HD22      ASN 122   8.582   1.141 -28.726
  915   2HD2  ASN 122          HD21      ASN 122   9.058  -0.125 -27.628
  916    H    ASP 123           H        ASP 123  10.941   4.664 -29.807
  917    HA   ASP 123           HA       ASP 123  11.895   2.218 -30.903
  918   1HB   ASP 123          HB2       ASP 123  10.704   3.923 -32.203
  919   2HB   ASP 123          HB3       ASP 123  12.022   5.072 -31.939
  920    H    GLY 124           H        GLY 124  13.613   5.004 -29.564
  921   1HA   GLY 124          HA2       GLY 124  16.185   4.344 -30.777
  922   2HA   GLY 124          HA3       GLY 124  15.872   5.593 -29.578
  923    H    TYR 125           H        TYR 125  18.157   4.133 -29.321
  924    HA   TYR 125           HA       TYR 125  17.810   2.877 -26.739
  925   1HB   TYR 125          HB2       TYR 125  17.633   0.924 -28.286
  926   2HB   TYR 125          HB3       TYR 125  19.158   1.389 -29.031
  927    HD1  TYR 125           HD1      TYR 125  17.564  -0.147 -26.082
  928    HD2  TYR 125           HD2      TYR 125  21.308   1.106 -27.814
  929    HE1  TYR 125           HE1      TYR 125  18.786  -1.416 -24.340
  930    HE2  TYR 125           HE2      TYR 125  22.540  -0.188 -26.105
  931    HH   TYR 125           HH       TYR 125  22.375  -1.568 -24.235
  Start of MODEL   12
    1   1H    MET   1          H1        MET   1  14.114  12.678  17.302
    2   2H    MET   1          H2        MET   1  13.910  13.672  16.016
    3   3H    MET   1          H3        MET   1  12.757  13.593  17.170
    4    HA   MET   1           HA       MET   1  13.525  11.423  15.357
    5   1HB   MET   1          HB2       MET   1  12.807  10.677  17.637
    6   2HB   MET   1          HB3       MET   1  11.239  11.444  17.385
    7   1HG   MET   1          HG2       MET   1  12.383   9.296  15.551
    8   2HG   MET   1          HG3       MET   1  11.443   8.934  16.991
    9   1HE   MET   1          HE1       MET   1   8.996   7.916  14.145
   10   2HE   MET   1          HE2       MET   1  10.769   7.818  14.052
   11   3HE   MET   1          HE3       MET   1   9.928   7.387  15.561
   12    H    ALA   2           H        ALA   2  12.493  11.404  13.401
   13    HA   ALA   2           HA       ALA   2   9.974  12.802  12.972
   14   1HB   ALA   2          HB1       ALA   2  12.501  13.546  11.411
   15   2HB   ALA   2          HB2       ALA   2  10.854  14.100  11.050
   16   3HB   ALA   2          HB3       ALA   2  11.641  14.608  12.551
   17    H    VAL   3           H        VAL   3   9.290  12.322  10.621
   18    HA   VAL   3           HA       VAL   3  10.397   9.784   9.575
   19    HB   VAL   3           HB       VAL   3   7.428  10.283  10.114
   20   1HG1  VAL   3          HG11      VAL   3   7.782   8.841   8.172
   21   2HG1  VAL   3          HG12      VAL   3   8.927   7.835   9.084
   22   3HG1  VAL   3          HG13      VAL   3   7.206   7.865   9.516
   23   1HG2  VAL   3          HG21      VAL   3   9.379   8.478  11.607
   24   2HG2  VAL   3          HG22      VAL   3   8.473   9.856  12.270
   25   3HG2  VAL   3          HG23      VAL   3   7.610   8.408  11.766
   26    H    ALA   4           H        ALA   4  10.566   9.905   7.378
   27    HA   ALA   4           HA       ALA   4   9.859  12.352   5.988
   28   1HB   ALA   4          HB1       ALA   4  10.947  11.300   4.074
   29   2HB   ALA   4          HB2       ALA   4  11.939  11.051   5.515
   30   3HB   ALA   4          HB3       ALA   4  10.944   9.723   4.880
   31    H    ASP   5           H        ASP   5   8.911  11.784   3.584
   32    HA   ASP   5           HA       ASP   5   6.639   9.952   3.622
   33   1HB   ASP   5          HB2       ASP   5   5.622  11.980   4.598
   34   2HB   ASP   5          HB3       ASP   5   6.304  12.972   3.306
   35    H    LEU   6           H        LEU   6   5.892   9.659   1.354
   36    HA   LEU   6           HA       LEU   6   7.978   9.520  -0.505
   37   1HB   LEU   6          HB2       LEU   6   4.963   9.623  -0.928
   38   2HB   LEU   6          HB3       LEU   6   6.132   9.222  -2.171
   39    HG   LEU   6           HG       LEU   6   5.625   7.606   0.354
   40   1HD1  LEU   6          HD11      LEU   6   4.937   7.092  -2.568
   41   2HD1  LEU   6          HD12      LEU   6   4.696   5.949  -1.245
   42   3HD1  LEU   6          HD13      LEU   6   3.796   7.472  -1.274
   43   1HD2  LEU   6          HD21      LEU   6   7.045   5.865  -0.791
   44   2HD2  LEU   6          HD22      LEU   6   7.546   7.098  -1.958
   45   3HD2  LEU   6          HD23      LEU   6   7.936   7.271  -0.227
   46    H    ALA   7           H        ALA   7   5.672  12.233   0.034
   47    HA   ALA   7           HA       ALA   7   6.288  13.575  -2.395
   48   1HB   ALA   7          HB1       ALA   7   5.324  14.710   0.264
   49   2HB   ALA   7          HB2       ALA   7   5.242  15.520  -1.313
   50   3HB   ALA   7          HB3       ALA   7   4.284  14.054  -1.026
   51    H    LEU   8           H        LEU   8   8.078  13.249   0.600
   52    HA   LEU   8           HA       LEU   8   9.682  15.691   0.155
   53   1HB   LEU   8          HB2       LEU   8   9.836  13.576   2.341
   54   2HB   LEU   8          HB3       LEU   8  10.737  15.083   2.296
   55    HG   LEU   8           HG       LEU   8   7.704  14.855   2.532
   56   1HD1  LEU   8          HD11      LEU   8   8.052  15.651   4.834
   57   2HD1  LEU   8          HD12      LEU   8   8.884  14.118   4.557
   58   3HD1  LEU   8          HD13      LEU   8   9.812  15.633   4.589
   59   1HD2  LEU   8          HD21      LEU   8   7.783  17.291   3.043
   60   2HD2  LEU   8          HD22      LEU   8   9.509  17.313   2.616
   61   3HD2  LEU   8          HD23      LEU   8   8.277  16.942   1.387
   62    H    ILE   9           H        ILE   9   9.832  12.254  -0.536
   63    HA   ILE   9           HA       ILE   9  12.640  11.906  -0.576
   64    HB   ILE   9           HB       ILE   9  10.447  10.575  -2.204
   65   1HG1  ILE   9          HG12      ILE   9  11.918   9.809   0.355
   66   2HG1  ILE   9          HG13      ILE   9  10.217  10.298   0.210
   67   1HG2  ILE   9          HG21      ILE   9  13.330   9.690  -1.811
   68   2HG2  ILE   9          HG22      ILE   9  12.074   8.787  -2.685
   69   3HG2  ILE   9          HG23      ILE   9  12.663  10.309  -3.331
   70   1HD1  ILE   9          HD11      ILE   9  11.482   7.727  -0.706
   71   2HD1  ILE   9          HD12      ILE   9  10.183   7.973   0.468
   72   3HD1  ILE   9          HD13      ILE   9   9.873   8.261  -1.262
   73    HA   PRO  10           HA       PRO  10  13.619  14.774  -3.975
   74   1HB   PRO  10          HB2       PRO  10  15.963  12.899  -4.303
   75   2HB   PRO  10          HB3       PRO  10  15.931  14.686  -4.312
   76   1HG   PRO  10          HG2       PRO  10  16.722  13.334  -2.094
   77   2HG   PRO  10          HG3       PRO  10  15.664  14.774  -1.949
   78   1HD   PRO  10          HD2       PRO  10  14.889  11.855  -1.825
   79   2HD   PRO  10          HD3       PRO  10  14.339  13.225  -0.813
   80    H    ASP  11           H        ASP  11  12.343  14.601  -5.678
   81    HA   ASP  11           HA       ASP  11  11.412  12.124  -6.629
   82   1HB   ASP  11          HB2       ASP  11  10.319  14.479  -6.493
   83   2HB   ASP  11          HB3       ASP  11  11.024  14.734  -8.093
   84    H    VAL  12           H        VAL  12  13.840  14.329  -8.005
   85    HA   VAL  12           HA       VAL  12  14.591  12.299 -10.010
   86    HB   VAL  12           HB       VAL  12  13.948  15.214 -10.668
   87   1HG1  VAL  12          HG11      VAL  12  15.864  14.444 -11.985
   88   2HG1  VAL  12          HG12      VAL  12  14.976  12.988 -12.481
   89   3HG1  VAL  12          HG13      VAL  12  14.441  14.600 -13.004
   90   1HG2  VAL  12          HG21      VAL  12  12.249  14.306 -12.233
   91   2HG2  VAL  12          HG22      VAL  12  12.518  12.682 -11.569
   92   3HG2  VAL  12          HG23      VAL  12  11.850  13.973 -10.555
   93    H    ASP  13           H        ASP  13  16.818  12.269 -10.220
   94    HA   ASP  13           HA       ASP  13  18.384  14.672  -9.841
   95   1HB   ASP  13          HB2       ASP  13  18.315  13.975  -7.486
   96   2HB   ASP  13          HB3       ASP  13  18.809  12.340  -7.925
   97    H    ILE  14           H        ILE  14  19.703  14.547 -11.596
   98    HA   ILE  14           HA       ILE  14  20.770  11.949 -12.462
   99    HB   ILE  14           HB       ILE  14  20.172  12.595 -14.857
  100   1HG1  ILE  14          HG12      ILE  14  18.006  13.720 -15.221
  101   2HG1  ILE  14          HG13      ILE  14  17.957  14.244 -13.544
  102   1HG2  ILE  14          HG21      ILE  14  19.205  10.697 -13.649
  103   2HG2  ILE  14          HG22      ILE  14  17.912  11.734 -13.009
  104   3HG2  ILE  14          HG23      ILE  14  18.034  11.421 -14.752
  105   1HD1  ILE  14          HD11      ILE  14  19.836  15.746 -13.915
  106   2HD1  ILE  14          HD12      ILE  14  20.124  15.048 -15.533
  107   3HD1  ILE  14          HD13      ILE  14  18.658  15.989 -15.208
  108    H    ASP  15           H        ASP  15  22.558  12.150 -13.935
  109    HA   ASP  15           HA       ASP  15  24.376  14.180 -13.024
  110   1HB   ASP  15          HB2       ASP  15  24.986  11.854 -13.521
  111   2HB   ASP  15          HB3       ASP  15  24.668  12.119 -15.237
  112    H    SER  16           H        SER  16  25.741  15.477 -14.503
  113    HA   SER  16           HA       SER  16  24.217  17.382 -15.988
  114   1HB   SER  16          HB2       SER  16  27.233  16.968 -15.848
  115   2HB   SER  16          HB3       SER  16  26.379  18.474 -16.229
  116    HG   SER  16           HG       SER  16  27.087  18.405 -14.052
  117    H    ASP  17           H        ASP  17  25.244  18.175 -18.156
  118    HA   ASP  17           HA       ASP  17  24.541  16.802 -20.359
  119   1HB   ASP  17          HB2       ASP  17  25.232  19.051 -20.568
  120   2HB   ASP  17          HB3       ASP  17  26.833  18.718 -19.901
  121    H    GLY  18           H        GLY  18  25.011  14.905 -21.272
  122   1HA   GLY  18          HA2       GLY  18  27.423  13.801 -22.016
  123   2HA   GLY  18          HA3       GLY  18  27.149  13.249 -20.350
  124    H    VAL  19           H        VAL  19  26.989  11.102 -21.383
  125    HA   VAL  19           HA       VAL  19  24.170  10.472 -21.971
  126    HB   VAL  19           HB       VAL  19  26.573   9.306 -23.454
  127   1HG1  VAL  19          HG11      VAL  19  23.612   8.608 -23.665
  128   2HG1  VAL  19          HG12      VAL  19  24.891   8.001 -24.737
  129   3HG1  VAL  19          HG13      VAL  19  24.900   7.564 -23.026
  130   1HG2  VAL  19          HG21      VAL  19  25.977  11.483 -24.409
  131   2HG2  VAL  19          HG22      VAL  19  25.479  10.194 -25.504
  132   3HG2  VAL  19          HG23      VAL  19  24.267  11.006 -24.491
  133    H    PHE  20           H        PHE  20  23.508   8.868 -20.551
  134    HA   PHE  20           HA       PHE  20  25.384   7.026 -19.297
  135   1HB   PHE  20          HB2       PHE  20  24.838   7.826 -16.986
  136   2HB   PHE  20          HB3       PHE  20  25.909   8.875 -17.887
  137    HD1  PHE  20           HD1      PHE  20  25.253  11.140 -18.541
  138    HD2  PHE  20           HD2      PHE  20  22.455   8.541 -16.541
  139    HE1  PHE  20           HE1      PHE  20  23.729  13.058 -18.158
  140    HE2  PHE  20           HE2      PHE  20  20.957  10.471 -16.129
  141    HZ   PHE  20           HZ       PHE  20  21.595  12.737 -16.939
  142    H    LYS  21           H        LYS  21  24.236   5.550 -17.813
  143    HA   LYS  21           HA       LYS  21  21.567   4.931 -18.880
  144   1HB   LYS  21          HB2       LYS  21  23.425   3.505 -16.931
  145   2HB   LYS  21          HB3       LYS  21  21.829   2.904 -17.393
  146   1HG   LYS  21          HG2       LYS  21  22.476   2.710 -19.730
  147   2HG   LYS  21          HG3       LYS  21  24.044   3.477 -19.411
  148   1HD   LYS  21          HD2       LYS  21  24.654   1.632 -17.897
  149   2HD   LYS  21          HD3       LYS  21  23.122   0.814 -18.254
  150   1HE   LYS  21          HE2       LYS  21  23.741   0.687 -20.654
  151   2HE   LYS  21          HE3       LYS  21  25.240   1.566 -20.321
  152   1HZ   LYS  21          HZ1       LYS  21  25.898  -0.294 -18.867
  153   2HZ   LYS  21          HZ2       LYS  21  24.564  -1.136 -19.319
  154   3HZ   LYS  21          HZ3       LYS  21  25.704  -0.762 -20.427
  155    H    TYR  22           H        TYR  22  19.745   4.520 -17.475
  156    HA   TYR  22           HA       TYR  22  19.815   5.789 -14.828
  157   1HB   TYR  22          HB2       TYR  22  18.505   7.544 -15.306
  158   2HB   TYR  22          HB3       TYR  22  19.014   7.317 -16.961
  159    HD1  TYR  22           HD1      TYR  22  16.266   7.326 -14.621
  160    HD2  TYR  22           HD2      TYR  22  17.527   5.854 -18.466
  161    HE1  TYR  22           HE1      TYR  22  13.941   6.606 -15.100
  162    HE2  TYR  22           HE2      TYR  22  15.225   5.102 -18.943
  163    HH   TYR  22           HH       TYR  22  13.117   4.766 -18.035
  164    H    VAL  23           H        VAL  23  17.610   5.352 -13.726
  165    HA   VAL  23           HA       VAL  23  16.216   2.987 -14.736
  166    HB   VAL  23           HB       VAL  23  18.154   2.214 -13.316
  167   1HG1  VAL  23          HG11      VAL  23  16.585   3.361 -10.985
  168   2HG1  VAL  23          HG12      VAL  23  18.065   2.403 -10.900
  169   3HG1  VAL  23          HG13      VAL  23  18.096   4.034 -11.607
  170   1HG2  VAL  23          HG21      VAL  23  15.408   1.463 -12.257
  171   2HG2  VAL  23          HG22      VAL  23  16.235   0.765 -13.672
  172   3HG2  VAL  23          HG23      VAL  23  16.915   0.542 -12.061
  173    H    LEU  24           H        LEU  24  14.104   2.799 -13.823
  174    HA   LEU  24           HA       LEU  24  13.048   5.290 -12.553
  175   1HB   LEU  24          HB2       LEU  24  12.187   4.871 -14.849
  176   2HB   LEU  24          HB3       LEU  24  11.720   3.239 -14.380
  177    HG   LEU  24           HG       LEU  24  10.065   4.229 -12.733
  178   1HD1  LEU  24          HD11      LEU  24   9.482   6.610 -12.953
  179   2HD1  LEU  24          HD12      LEU  24  11.129   6.433 -12.357
  180   3HD1  LEU  24          HD13      LEU  24  10.845   6.855 -14.065
  181   1HD2  LEU  24          HD21      LEU  24   9.371   3.522 -14.970
  182   2HD2  LEU  24          HD22      LEU  24   8.459   4.927 -14.424
  183   3HD2  LEU  24          HD23      LEU  24   9.766   5.138 -15.619
  184    H    ILE  25           H        ILE  25  12.625   4.824 -10.379
  185    HA   ILE  25           HA       ILE  25  11.914   2.018  -9.726
  186    HB   ILE  25           HB       ILE  25  13.990   1.817  -9.213
  187   1HG1  ILE  25          HG12      ILE  25  12.587   1.502  -7.137
  188   2HG1  ILE  25          HG13      ILE  25  14.331   1.549  -6.963
  189   1HG2  ILE  25          HG21      ILE  25  14.922   3.997  -9.759
  190   2HG2  ILE  25          HG22      ILE  25  14.521   4.576  -8.146
  191   3HG2  ILE  25          HG23      ILE  25  15.676   3.230  -8.348
  192   1HD1  ILE  25          HD11      ILE  25  13.145   2.752  -5.171
  193   2HD1  ILE  25          HD12      ILE  25  14.344   3.722  -6.010
  194   3HD1  ILE  25          HD13      ILE  25  12.610   3.955  -6.346
  195    H    ARG  26           H        ARG  26  10.337   1.664  -8.487
  196    HA   ARG  26           HA       ARG  26   8.637   3.871  -7.540
  197   1HB   ARG  26          HB2       ARG  26   7.646   1.985  -8.710
  198   2HB   ARG  26          HB3       ARG  26   8.365   0.826  -7.594
  199   1HG   ARG  26          HG2       ARG  26   6.935   1.443  -5.813
  200   2HG   ARG  26          HG3       ARG  26   6.479   2.976  -6.567
  201   1HD   ARG  26          HD2       ARG  26   5.755   0.260  -7.746
  202   2HD   ARG  26          HD3       ARG  26   4.703   1.163  -6.635
  203    HE   ARG  26           HE       ARG  26   5.332   3.027  -8.532
  204   1HH1  ARG  26          HH21      ARG  26   3.759  -0.164  -8.704
  205   2HH1  ARG  26          HH22      ARG  26   2.875   0.205 -10.138
  206   1HH2  ARG  26          HH11      ARG  26   4.234   3.505 -10.426
  207   2HH2  ARG  26          HH12      ARG  26   3.121   2.366 -11.131
  208    H    VAL  27           H        VAL  27   8.183   4.173  -5.388
  209    HA   VAL  27           HA       VAL  27   9.691   2.705  -3.307
  210    HB   VAL  27           HB       VAL  27   9.091   5.705  -3.336
  211   1HG1  VAL  27          HG11      VAL  27  11.003   3.997  -1.691
  212   2HG1  VAL  27          HG12      VAL  27  10.798   5.746  -1.545
  213   3HG1  VAL  27          HG13      VAL  27   9.455   4.679  -1.125
  214   1HG2  VAL  27          HG21      VAL  27  11.751   4.441  -4.096
  215   2HG2  VAL  27          HG22      VAL  27  10.690   5.379  -5.178
  216   3HG2  VAL  27          HG23      VAL  27  11.456   6.169  -3.808
  217    H    HIS  28           H        HIS  28   8.282   2.115  -1.646
  218    HA   HIS  28           HA       HIS  28   5.407   2.934  -1.846
  219   1HB   HIS  28          HB2       HIS  28   6.717   0.653  -0.324
  220   2HB   HIS  28          HB3       HIS  28   4.989   0.944  -0.524
  221    HD1  HIS  28           HD1      HIS  28   4.279   0.931  -3.392
  222    HD2  HIS  28           HD2      HIS  28   7.735  -1.043  -2.009
  223    HE1  HIS  28           HE1      HIS  28   4.877  -0.800  -5.154
  224    H    SER  29           H        SER  29   4.379   3.836   0.027
  225    HA   SER  29           HA       SER  29   5.946   5.383   1.788
  226   1HB   SER  29          HB2       SER  29   3.143   4.407   2.331
  227   2HB   SER  29          HB3       SER  29   3.891   5.876   2.941
  228    HG   SER  29           HG       SER  29   3.576   6.809   1.020
  229    H    ALA  30           H        ALA  30   7.500   4.206   2.929
  230    HA   ALA  30           HA       ALA  30   6.431   3.020   5.365
  231   1HB   ALA  30          HB1       ALA  30   6.738   1.053   3.899
  232   2HB   ALA  30          HB2       ALA  30   8.448   1.461   3.695
  233   3HB   ALA  30          HB3       ALA  30   7.824   1.011   5.289
  234    HA   PRO  31           HA       PRO  31  10.721   5.399   5.731
  235   1HB   PRO  31          HB2       PRO  31   8.762   7.618   6.359
  236   2HB   PRO  31          HB3       PRO  31  10.517   7.742   5.993
  237   1HG   PRO  31          HG2       PRO  31   8.711   8.138   4.014
  238   2HG   PRO  31          HG3       PRO  31  10.147   7.124   3.703
  239   1HD   PRO  31          HD2       PRO  31   7.316   6.267   4.304
  240   2HD   PRO  31          HD3       PRO  31   8.500   5.568   3.162
  241    H    ARG  32           H        ARG  32  11.566   5.234   7.665
  242    HA   ARG  32           HA       ARG  32  11.837   4.115   9.605
  243   1HB   ARG  32          HB2       ARG  32  10.100   6.385  10.619
  244   2HB   ARG  32          HB3       ARG  32  11.307   5.495  11.535
  245   1HG   ARG  32          HG2       ARG  32  11.801   7.421   9.236
  246   2HG   ARG  32          HG3       ARG  32  12.225   7.638  10.926
  247   1HD   ARG  32          HD2       ARG  32  13.462   5.619   9.007
  248   2HD   ARG  32          HD3       ARG  32  14.199   7.123   9.561
  249    HE   ARG  32           HE       ARG  32  13.681   5.805  11.898
  250   1HH1  ARG  32          HH21      ARG  32  15.514   4.920   8.943
  251   2HH1  ARG  32          HH22      ARG  32  16.551   3.838   9.779
  252   1HH2  ARG  32          HH11      ARG  32  15.088   4.346  12.967
  253   2HH2  ARG  32          HH12      ARG  32  16.320   3.513  12.100
  254    H    SER  33           H        SER  33   9.626   2.900   8.175
  255    HA   SER  33           HA       SER  33   7.948   1.468   8.420
  256   1HB   SER  33          HB2       SER  33   9.138   0.902  11.159
  257   2HB   SER  33          HB3       SER  33   8.165  -0.193  10.164
  258    HG   SER  33           HG       SER  33  10.413  -0.608   9.986
  259    H    GLY  34           H        GLY  34   7.320   4.218   9.172
  260   1HA   GLY  34          HA2       GLY  34   4.873   3.754  10.778
  261   2HA   GLY  34          HA3       GLY  34   6.082   4.896  11.393
  262    H    ALA  35           H        ALA  35   5.392   4.402   7.939
  263    HA   ALA  35           HA       ALA  35   4.996   7.185   7.460
  264   1HB   ALA  35          HB1       ALA  35   5.888   5.582   5.801
  265   2HB   ALA  35          HB2       ALA  35   4.293   4.796   5.699
  266   3HB   ALA  35          HB3       ALA  35   4.496   6.483   5.169
  267    HA   PRO  36           HA       PRO  36   0.673   7.688   8.337
  268   1HB   PRO  36          HB2       PRO  36   0.410   9.170   5.726
  269   2HB   PRO  36          HB3       PRO  36  -0.087   9.681   7.367
  270   1HG   PRO  36          HG2       PRO  36   2.159  10.677   6.214
  271   2HG   PRO  36          HG3       PRO  36   2.149  10.234   7.954
  272   1HD   PRO  36          HD2       PRO  36   3.239   8.654   5.616
  273   2HD   PRO  36          HD3       PRO  36   3.947   8.941   7.234
  274    H    ALA  37           H        ALA  37   1.535   6.262   5.244
  275    HA   ALA  37           HA       ALA  37  -1.068   4.922   4.932
  276   1HB   ALA  37          HB1       ALA  37  -1.401   5.864   2.683
  277   2HB   ALA  37          HB2       ALA  37  -1.294   7.185   3.854
  278   3HB   ALA  37          HB3       ALA  37   0.103   6.807   2.823
  279    H    ALA  38           H        ALA  38  -0.710   3.949   2.402
  280    HA   ALA  38           HA       ALA  38   1.989   2.801   2.095
  281   1HB   ALA  38          HB1       ALA  38  -0.529   1.106   2.135
  282   2HB   ALA  38          HB2       ALA  38   1.120   0.574   1.715
  283   3HB   ALA  38          HB3       ALA  38   0.758   1.101   3.370
  284    H    GLU  39           H        GLU  39   1.372   4.901   0.729
  285    HA   GLU  39           HA       GLU  39   0.085   4.198  -1.829
  286   1HB   GLU  39          HB2       GLU  39   1.381   6.774  -0.816
  287   2HB   GLU  39          HB3       GLU  39   0.659   6.559  -2.416
  288   1HG   GLU  39          HG2       GLU  39  -1.526   5.998  -1.324
  289   2HG   GLU  39          HG3       GLU  39  -0.813   6.383   0.244
  290    H    SER  40           H        SER  40   1.706   5.289  -3.702
  291    HA   SER  40           HA       SER  40   4.465   4.482  -3.215
  292   1HB   SER  40          HB2       SER  40   3.086   3.488  -5.713
  293   2HB   SER  40          HB3       SER  40   4.686   3.073  -5.098
  294    HG   SER  40           HG       SER  40   2.170   2.358  -3.984
  295    H    LYS  41           H        LYS  41   5.933   5.345  -4.810
  296    HA   LYS  41           HA       LYS  41   5.046   7.494  -6.616
  297   1HB   LYS  41          HB2       LYS  41   5.091   8.734  -4.625
  298   2HB   LYS  41          HB3       LYS  41   6.453   7.835  -3.968
  299   1HG   LYS  41          HG2       LYS  41   7.064   9.586  -6.312
  300   2HG   LYS  41          HG3       LYS  41   6.601  10.369  -4.794
  301   1HD   LYS  41          HD2       LYS  41   8.330   9.182  -3.546
  302   2HD   LYS  41          HD3       LYS  41   8.807   8.296  -4.992
  303   1HE   LYS  41          HE2       LYS  41  10.359  10.093  -4.495
  304   2HE   LYS  41          HE3       LYS  41   9.579  10.330  -6.071
  305   1HZ   LYS  41          HZ1       LYS  41   9.843  12.277  -4.370
  306   2HZ   LYS  41          HZ2       LYS  41   8.554  12.170  -5.376
  307   3HZ   LYS  41          HZ3       LYS  41   8.438  11.715  -3.760
  308    H    GLU  42           H        GLU  42   6.763   8.014  -8.063
  309    HA   GLU  42           HA       GLU  42   8.896   5.920  -8.193
  310   1HB   GLU  42          HB2       GLU  42   7.317   7.431 -10.305
  311   2HB   GLU  42          HB3       GLU  42   8.941   6.855 -10.652
  312   1HG   GLU  42          HG2       GLU  42   7.524   5.201 -11.474
  313   2HG   GLU  42          HG3       GLU  42   8.265   4.537 -10.025
  314    H    ILE  43           H        ILE  43  11.020   6.532  -8.705
  315    HA   ILE  43           HA       ILE  43  11.572   9.426  -8.897
  316    HB   ILE  43           HB       ILE  43  13.655   9.103  -7.597
  317   1HG1  ILE  43          HG12      ILE  43  12.497   6.373  -6.888
  318   2HG1  ILE  43          HG13      ILE  43  13.978   6.696  -7.797
  319   1HG2  ILE  43          HG21      ILE  43  11.211   8.376  -5.958
  320   2HG2  ILE  43          HG22      ILE  43  12.617   9.362  -5.470
  321   3HG2  ILE  43          HG23      ILE  43  11.502   9.980  -6.685
  322   1HD1  ILE  43          HD11      ILE  43  13.499   7.369  -4.856
  323   2HD1  ILE  43          HD12      ILE  43  14.469   6.052  -5.488
  324   3HD1  ILE  43          HD13      ILE  43  14.981   7.730  -5.771
  325    H    VAL  44           H        VAL  44  13.439   9.947 -10.030
  326    HA   VAL  44           HA       VAL  44  14.180   7.933 -12.117
  327    HB   VAL  44           HB       VAL  44  13.847  10.960 -12.344
  328   1HG1  VAL  44          HG11      VAL  44  14.168   8.862 -14.521
  329   2HG1  VAL  44          HG12      VAL  44  13.952  10.601 -14.762
  330   3HG1  VAL  44          HG13      VAL  44  15.429  10.002 -13.996
  331   1HG2  VAL  44          HG21      VAL  44  11.619   9.981 -11.999
  332   2HG2  VAL  44          HG22      VAL  44  11.824  10.549 -13.650
  333   3HG2  VAL  44          HG23      VAL  44  11.928   8.808 -13.300
  334    H    ARG  45           H        ARG  45  16.321   7.385 -11.854
  335    HA   ARG  45           HA       ARG  45  18.233   9.506 -11.020
  336   1HB   ARG  45          HB2       ARG  45  18.153   6.683  -9.870
  337   2HB   ARG  45          HB3       ARG  45  19.390   7.885  -9.541
  338   1HG   ARG  45          HG2       ARG  45  16.468   8.029  -8.693
  339   2HG   ARG  45          HG3       ARG  45  17.853   7.654  -7.669
  340   1HD   ARG  45          HD2       ARG  45  18.748   9.898  -7.904
  341   2HD   ARG  45          HD3       ARG  45  17.490  10.335  -9.041
  342    HE   ARG  45           HE       ARG  45  15.932  10.526  -7.357
  343   1HH1  ARG  45          HH21      ARG  45  18.964   9.297  -6.004
  344   2HH1  ARG  45          HH22      ARG  45  18.440   9.372  -4.363
  345   1HH2  ARG  45          HH11      ARG  45  15.229  10.700  -5.173
  346   2HH2  ARG  45          HH12      ARG  45  16.256  10.156  -3.888
  347    H    GLY  46           H        GLY  46  20.306   9.251 -11.964
  348   1HA   GLY  46          HA2       GLY  46  21.185   6.936 -13.332
  349   2HA   GLY  46          HA3       GLY  46  20.416   8.028 -14.497
  350    H    TYR  47           H        TYR  47  23.318   7.183 -13.833
  351    HA   TYR  47           HA       TYR  47  24.532   9.819 -14.116
  352   1HB   TYR  47          HB2       TYR  47  25.447   8.080 -11.805
  353   2HB   TYR  47          HB3       TYR  47  25.875   9.746 -12.131
  354    HD1  TYR  47           HD1      TYR  47  24.498  11.569 -11.202
  355    HD2  TYR  47           HD2      TYR  47  23.265   7.453 -10.862
  356    HE1  TYR  47           HE1      TYR  47  22.848  12.211  -9.476
  357    HE2  TYR  47           HE2      TYR  47  21.622   8.080  -9.119
  358    HH   TYR  47           HH       TYR  47  21.271  11.464  -7.957
  359    H    LYS  48           H        LYS  48  26.767   9.596 -14.837
  360    HA   LYS  48           HA       LYS  48  27.265   7.270 -16.358
  361   1HB   LYS  48          HB2       LYS  48  29.503   8.201 -16.761
  362   2HB   LYS  48          HB3       LYS  48  28.218   9.387 -16.980
  363   1HG   LYS  48          HG2       LYS  48  28.727  10.364 -14.755
  364   2HG   LYS  48          HG3       LYS  48  30.014   9.180 -14.515
  365   1HD   LYS  48          HD2       LYS  48  31.340  10.068 -16.269
  366   2HD   LYS  48          HD3       LYS  48  30.016  11.024 -16.943
  367   1HE   LYS  48          HE2       LYS  48  31.010  11.508 -14.114
  368   2HE   LYS  48          HE3       LYS  48  31.860  12.207 -15.497
  369   1HZ   LYS  48          HZ1       LYS  48  28.957  12.647 -15.066
  370   2HZ   LYS  48          HZ2       LYS  48  30.120  13.659 -14.494
  371   3HZ   LYS  48          HZ3       LYS  48  29.950  13.428 -16.098
  372    H    TRP  49           H        TRP  49  28.108   7.846 -12.947
  373    HA   TRP  49           HA       TRP  49  30.082   5.766 -12.870
  374   1HB   TRP  49          HB2       TRP  49  29.686   5.803 -10.399
  375   2HB   TRP  49          HB3       TRP  49  30.236   7.280 -11.149
  376    HD1  TRP  49           HD1      TRP  49  29.076   9.397 -10.477
  377    HE1  TRP  49           HE1      TRP  49  27.025  10.049  -9.115
  378    HE3  TRP  49           HE3      TRP  49  26.941   4.760  -9.943
  379    HZ2  TRP  49           HZ2      TRP  49  24.733   8.727  -7.919
  380    HZ3  TRP  49           HZ3      TRP  49  24.770   4.518  -8.820
  381    HH2  TRP  49           HH2      TRP  49  23.633   6.498  -7.807
  382    H    ALA  50           H        ALA  50  26.527   5.626 -12.863
  383    HA   ALA  50           HA       ALA  50  26.594   2.770 -12.137
  384   1HB   ALA  50          HB1       ALA  50  24.721   3.982 -11.287
  385   2HB   ALA  50          HB2       ALA  50  24.298   4.597 -12.913
  386   3HB   ALA  50          HB3       ALA  50  24.182   2.858 -12.538
  387    H    GLU  51           H        GLU  51  28.128   2.303 -13.839
  388    HA   GLU  51           HA       GLU  51  27.489   2.549 -16.609
  389   1HB   GLU  51          HB2       GLU  51  29.236   0.499 -15.159
  390   2HB   GLU  51          HB3       GLU  51  29.222   0.777 -16.906
  391   1HG   GLU  51          HG2       GLU  51  29.913   3.151 -16.498
  392   2HG   GLU  51          HG3       GLU  51  30.051   2.781 -14.773
  393    H    TYR  52           H        TYR  52  25.844   0.744 -14.272
  394    HA   TYR  52           HA       TYR  52  24.422  -0.775 -16.304
  395   1HB   TYR  52          HB2       TYR  52  24.368  -2.729 -14.560
  396   2HB   TYR  52          HB3       TYR  52  25.618  -2.613 -15.782
  397    HD1  TYR  52           HD1      TYR  52  27.865  -1.645 -15.195
  398    HD2  TYR  52           HD2      TYR  52  24.987  -2.818 -12.225
  399    HE1  TYR  52           HE1      TYR  52  29.688  -1.783 -13.505
  400    HE2  TYR  52           HE2      TYR  52  26.784  -2.979 -10.524
  401    HH   TYR  52           HH       TYR  52  30.226  -2.257 -11.285
  402    H    HIS  53           H        HIS  53  22.248  -0.906 -15.758
  403    HA   HIS  53           HA       HIS  53  21.198   1.103 -14.115
  404   1HB   HIS  53          HB2       HIS  53  19.653  -1.372 -14.957
  405   2HB   HIS  53          HB3       HIS  53  19.041   0.259 -14.711
  406    HD1  HIS  53           HD1      HIS  53  19.245   1.920 -16.856
  407    HD2  HIS  53           HD2      HIS  53  21.049  -1.877 -17.240
  408    HE1  HIS  53           HE1      HIS  53  19.929   1.653 -19.309
  409    H    ALA  54           H        ALA  54  21.829  -2.313 -13.382
  410    HA   ALA  54           HA       ALA  54  20.385  -2.492 -10.957
  411   1HB   ALA  54          HB1       ALA  54  21.896  -4.354 -10.420
  412   2HB   ALA  54          HB2       ALA  54  21.353  -4.445 -12.105
  413   3HB   ALA  54          HB3       ALA  54  22.995  -3.870 -11.726
  414    H    ASP  55           H        ASP  55  23.466  -0.822 -11.631
  415    HA   ASP  55           HA       ASP  55  24.401  -0.828  -8.921
  416   1HB   ASP  55          HB2       ASP  55  25.774  -0.250 -11.015
  417   2HB   ASP  55          HB3       ASP  55  24.968   1.295 -11.020
  418    H    ILE  56           H        ILE  56  22.525   1.559 -10.843
  419    HA   ILE  56           HA       ILE  56  22.230   3.396  -8.644
  420    HB   ILE  56           HB       ILE  56  20.072   3.999 -10.205
  421   1HG1  ILE  56          HG12      ILE  56  21.969   2.621 -12.114
  422   2HG1  ILE  56          HG13      ILE  56  20.211   2.503 -11.943
  423   1HG2  ILE  56          HG21      ILE  56  21.349   5.871 -10.958
  424   2HG2  ILE  56          HG22      ILE  56  21.724   5.475  -9.289
  425   3HG2  ILE  56          HG23      ILE  56  22.874   5.032 -10.575
  426   1HD1  ILE  56          HD11      ILE  56  20.071   4.841 -12.815
  427   2HD1  ILE  56          HD12      ILE  56  21.838   4.808 -13.078
  428   3HD1  ILE  56          HD13      ILE  56  20.791   3.681 -13.957
  429    H    TYR  57           H        TYR  57  20.155   0.732  -9.951
  430    HA   TYR  57           HA       TYR  57  17.956   1.311  -8.264
  431   1HB   TYR  57          HB2       TYR  57  17.763  -0.324 -10.060
  432   2HB   TYR  57          HB3       TYR  57  18.990  -1.356  -9.325
  433    HD1  TYR  57           HD1      TYR  57  15.835   0.375  -8.199
  434    HD2  TYR  57           HD2      TYR  57  18.155  -3.255  -8.208
  435    HE1  TYR  57           HE1      TYR  57  14.164  -0.665  -6.733
  436    HE2  TYR  57           HE2      TYR  57  16.454  -4.348  -6.783
  437    HH   TYR  57           HH       TYR  57  13.556  -2.645  -5.537
  438    H    ASP  58           H        ASP  58  20.857  -0.801  -7.639
  439    HA   ASP  58           HA       ASP  58  20.065  -1.535  -5.017
  440   1HB   ASP  58          HB2       ASP  58  21.743  -2.783  -6.262
  441   2HB   ASP  58          HB3       ASP  58  22.821  -1.383  -6.287
  442    H    LYS  59           H        LYS  59  22.303   1.079  -6.134
  443    HA   LYS  59           HA       LYS  59  23.050   2.047  -3.585
  444   1HB   LYS  59          HB2       LYS  59  24.248   2.711  -5.511
  445   2HB   LYS  59          HB3       LYS  59  22.818   3.349  -6.321
  446   1HG   LYS  59          HG2       LYS  59  22.871   5.354  -5.260
  447   2HG   LYS  59          HG3       LYS  59  23.449   4.673  -3.723
  448   1HD   LYS  59          HD2       LYS  59  25.713   4.458  -4.554
  449   2HD   LYS  59          HD3       LYS  59  25.213   4.914  -6.178
  450   1HE   LYS  59          HE2       LYS  59  26.277   6.821  -5.217
  451   2HE   LYS  59          HE3       LYS  59  24.554   7.178  -5.341
  452   1HZ   LYS  59          HZ1       LYS  59  25.951   6.337  -2.860
  453   2HZ   LYS  59          HZ2       LYS  59  25.483   7.855  -3.209
  454   3HZ   LYS  59          HZ3       LYS  59  24.358   6.706  -2.961
  455    H    VAL  60           H        VAL  60  20.382   3.163  -5.729
  456    HA   VAL  60           HA       VAL  60  19.535   5.165  -3.864
  457    HB   VAL  60           HB       VAL  60  18.182   3.945  -6.300
  458   1HG1  VAL  60          HG11      VAL  60  16.522   4.993  -4.768
  459   2HG1  VAL  60          HG12      VAL  60  17.502   6.456  -4.688
  460   3HG1  VAL  60          HG13      VAL  60  16.752   5.970  -6.234
  461   1HG2  VAL  60          HG21      VAL  60  20.401   5.190  -6.654
  462   2HG2  VAL  60          HG22      VAL  60  19.011   5.817  -7.509
  463   3HG2  VAL  60          HG23      VAL  60  19.593   6.633  -6.028
  464    H    SER  61           H        SER  61  18.281   1.800  -4.584
  465    HA   SER  61           HA       SER  61  16.174   2.038  -2.686
  466   1HB   SER  61          HB2       SER  61  17.579  -0.501  -3.577
  467   2HB   SER  61          HB3       SER  61  15.976  -0.365  -2.822
  468    HG   SER  61           HG       SER  61  16.862   0.386  -5.365
  469    H    GLY  62           H        GLY  62  19.643   1.379  -2.235
  470   1HA   GLY  62          HA2       GLY  62  19.548   0.435   0.451
  471   2HA   GLY  62          HA3       GLY  62  20.867   1.347  -0.316
  472    H    ASP  63           H        ASP  63  19.768   3.815  -0.897
  473    HA   ASP  63           HA       ASP  63  19.590   5.026   1.689
  474   1HB   ASP  63          HB2       ASP  63  20.525   6.220  -0.252
  475   2HB   ASP  63          HB3       ASP  63  18.926   6.252  -0.990
  476    H    MET  64           H        MET  64  17.056   4.369  -0.847
  477    HA   MET  64           HA       MET  64  14.891   5.438   0.621
  478   1HB   MET  64          HB2       MET  64  14.922   2.916  -1.081
  479   2HB   MET  64          HB3       MET  64  13.493   3.822  -0.626
  480   1HG   MET  64          HG2       MET  64  15.657   4.920  -2.429
  481   2HG   MET  64          HG3       MET  64  14.105   4.276  -2.922
  482   1HE   MET  64          HE1       MET  64  16.034   7.386  -2.369
  483   2HE   MET  64          HE2       MET  64  15.027   8.451  -1.359
  484   3HE   MET  64          HE3       MET  64  15.801   7.035  -0.637
  485    H    GLN  65           H        GLN  65  16.318   2.102   0.957
  486    HA   GLN  65           HA       GLN  65  14.483   1.374   3.021
  487   1HB   GLN  65          HB2       GLN  65  17.157   0.342   2.037
  488   2HB   GLN  65          HB3       GLN  65  16.376  -0.388   3.443
  489   1HG   GLN  65          HG2       GLN  65  14.441  -1.035   2.174
  490   2HG   GLN  65          HG3       GLN  65  14.966  -0.117   0.759
  491   1HE2  GLN  65          HE22      GLN  65  17.139  -0.772  -0.161
  492   2HE2  GLN  65          HE21      GLN  65  17.517  -2.493  -0.217
  493    H    LYS  66           H        LYS  66  17.611   3.123   3.123
  494    HA   LYS  66           HA       LYS  66  17.973   3.027   5.970
  495   1HB   LYS  66          HB2       LYS  66  19.676   3.720   4.275
  496   2HB   LYS  66          HB3       LYS  66  18.697   5.129   3.904
  497   1HG   LYS  66          HG2       LYS  66  19.029   5.672   6.485
  498   2HG   LYS  66          HG3       LYS  66  20.449   4.635   6.272
  499   1HD   LYS  66          HD2       LYS  66  19.689   7.114   4.663
  500   2HD   LYS  66          HD3       LYS  66  20.991   7.010   5.859
  501   1HE   LYS  66          HE2       LYS  66  22.223   5.433   4.402
  502   2HE   LYS  66          HE3       LYS  66  20.897   5.457   3.218
  503   1HZ   LYS  66          HZ1       LYS  66  22.410   7.882   3.953
  504   2HZ   LYS  66          HZ2       LYS  66  22.749   6.949   2.656
  505   3HZ   LYS  66          HZ3       LYS  66  21.297   7.697   2.741
  506    H    GLN  67           H        GLN  67  16.163   5.277   3.772
  507    HA   GLN  67           HA       GLN  67  15.056   6.852   5.907
  508   1HB   GLN  67          HB2       GLN  67  13.910   6.352   3.123
  509   2HB   GLN  67          HB3       GLN  67  13.389   7.582   4.272
  510   1HG   GLN  67          HG2       GLN  67  15.757   8.524   4.214
  511   2HG   GLN  67          HG3       GLN  67  16.107   7.380   2.921
  512   1HE2  GLN  67          HE22      GLN  67  16.428   8.737   1.146
  513   2HE2  GLN  67          HE21      GLN  67  15.221   9.898   0.620
  514    H    GLY  68           H        GLY  68  14.090   3.800   4.425
  515   1HA   GLY  68          HA2       GLY  68  13.297   2.242   6.260
  516   2HA   GLY  68          HA3       GLY  68  11.984   3.393   6.511
  517    H    CYS  69           H        CYS  69  12.545   3.488   3.262
  518    HA   CYS  69           HA       CYS  69   9.950   2.511   2.664
  519   1HB   CYS  69          HB2       CYS  69  12.291   3.290   0.918
  520   2HB   CYS  69          HB3       CYS  69  10.617   3.171   0.373
  521    HG   CYS  69           HG       CYS  69  11.314   5.692   0.607
  522    H    ASP  70           H        ASP  70   9.679   1.204   0.563
  523    HA   ASP  70           HA       ASP  70  11.530  -1.074   0.237
  524   1HB   ASP  70          HB2       ASP  70   9.616  -1.966   1.506
  525   2HB   ASP  70          HB3       ASP  70   8.490  -1.239   0.353
  526    H    CYS  71           H        CYS  71  11.559  -1.719  -2.073
  527    HA   CYS  71           HA       CYS  71  10.445   0.355  -3.887
  528   1HB   CYS  71          HB2       CYS  71  13.399  -0.403  -3.593
  529   2HB   CYS  71          HB3       CYS  71  12.736   0.703  -4.792
  530    HG   CYS  71           HG       CYS  71  11.711   2.378  -3.070
  531    H    GLU  72           H        GLU  72  10.812  -0.058  -6.183
  532    HA   GLU  72           HA       GLU  72  11.756  -2.727  -7.031
  533   1HB   GLU  72          HB2       GLU  72   8.957  -1.632  -7.588
  534   2HB   GLU  72          HB3       GLU  72   9.696  -2.916  -8.525
  535   1HG   GLU  72          HG2       GLU  72   8.975  -3.039  -5.572
  536   2HG   GLU  72          HG3       GLU  72   8.091  -3.766  -6.903
  537    H    CYS  73           H        CYS  73  13.012  -2.379  -8.890
  538    HA   CYS  73           HA       CYS  73  12.909   0.175 -10.319
  539   1HB   CYS  73          HB2       CYS  73  14.397  -1.216 -11.960
  540   2HB   CYS  73          HB3       CYS  73  15.089  -0.698 -10.436
  541    HG   CYS  73           HG       CYS  73  15.730  -3.223 -11.225
  542    H    LEU  74           H        LEU  74  11.202   0.597 -11.604
  543    HA   LEU  74           HA       LEU  74   9.366  -1.493 -12.482
  544   1HB   LEU  74          HB2       LEU  74   9.574   1.447 -13.267
  545   2HB   LEU  74          HB3       LEU  74   8.251   0.359 -13.674
  546    HG   LEU  74           HG       LEU  74   9.009   1.359 -10.899
  547   1HD1  LEU  74          HD11      LEU  74   6.500   1.728 -12.592
  548   2HD1  LEU  74          HD12      LEU  74   6.795   2.409 -10.981
  549   3HD1  LEU  74          HD13      LEU  74   7.779   2.935 -12.356
  550   1HD2  LEU  74          HD21      LEU  74   6.889  -0.697 -11.673
  551   2HD2  LEU  74          HD22      LEU  74   8.269  -0.932 -10.570
  552   3HD2  LEU  74          HD23      LEU  74   6.949   0.139 -10.109
  553    H    GLY  75           H        GLY  75  12.178   0.166 -13.782
  554   1HA   GLY  75          HA2       GLY  75  12.934  -1.727 -15.618
  555   2HA   GLY  75          HA3       GLY  75  11.916  -0.605 -16.533
  556    H    GLY  76           H        GLY  76  14.143  -0.199 -17.589
  557   1HA   GLY  76          HA2       GLY  76  15.039   2.361 -16.578
  558   2HA   GLY  76          HA3       GLY  76  16.304   1.120 -16.495
  559    H    GLY  77           H        GLY  77  17.148   2.903 -18.031
  560   1HA   GLY  77          HA2       GLY  77  17.217   2.018 -20.738
  561   2HA   GLY  77          HA3       GLY  77  16.137   3.418 -20.573
  562    H    ARG  78           H        ARG  78  17.736   4.684 -21.810
  563    HA   ARG  78           HA       ARG  78  20.087   5.505 -20.181
  564   1HB   ARG  78          HB2       ARG  78  20.747   3.892 -21.898
  565   2HB   ARG  78          HB3       ARG  78  19.992   4.884 -23.159
  566   1HG   ARG  78          HG2       ARG  78  21.664   6.640 -22.838
  567   2HG   ARG  78          HG3       ARG  78  22.292   5.822 -21.401
  568   1HD   ARG  78          HD2       ARG  78  23.771   5.489 -23.305
  569   2HD   ARG  78          HD3       ARG  78  23.132   3.967 -22.712
  570    HE   ARG  78           HE       ARG  78  22.496   5.351 -25.262
  571   1HH1  ARG  78          HH11      ARG  78  21.836   2.485 -23.210
  572   2HH1  ARG  78          HH12      ARG  78  21.011   1.648 -24.498
  573   1HH2  ARG  78          HH21      ARG  78  21.655   4.071 -26.943
  574   2HH2  ARG  78          HH22      ARG  78  21.179   2.410 -26.628
  575    H    ILE  79           H        ILE  79  20.823   7.612 -20.594
  576    HA   ILE  79           HA       ILE  79  18.739   9.484 -21.554
  577    HB   ILE  79           HB       ILE  79  20.302   9.305 -18.948
  578   1HG1  ILE  79          HG12      ILE  79  17.381   9.751 -19.724
  579   2HG1  ILE  79          HG13      ILE  79  18.080   8.308 -19.001
  580   1HG2  ILE  79          HG21      ILE  79  19.640  11.655 -18.420
  581   2HG2  ILE  79          HG22      ILE  79  20.758  11.587 -19.764
  582   3HG2  ILE  79          HG23      ILE  79  19.026  11.833 -20.077
  583   1HD1  ILE  79          HD11      ILE  79  16.865   9.440 -17.289
  584   2HD1  ILE  79          HD12      ILE  79  18.586   9.709 -16.930
  585   3HD1  ILE  79          HD13      ILE  79  17.603  10.998 -17.665
  586    H    SER  80           H        SER  80  19.519  11.228 -22.629
  587    HA   SER  80           HA       SER  80  22.432  11.569 -23.062
  588   1HB   SER  80          HB2       SER  80  20.328  11.400 -25.271
  589   2HB   SER  80          HB3       SER  80  22.061  11.694 -25.485
  590    HG   SER  80           HG       SER  80  21.484   9.520 -25.887
  591    H    HIS  81           H        HIS  81  22.816  13.732 -24.129
  592    HA   HIS  81           HA       HIS  81  20.601  15.678 -23.916
  593   1HB   HIS  81          HB2       HIS  81  21.842  15.880 -21.802
  594   2HB   HIS  81          HB3       HIS  81  23.369  15.947 -22.676
  595    HD1  HIS  81           HD1      HIS  81  24.233  18.315 -23.176
  596    HD2  HIS  81           HD2      HIS  81  20.070  18.117 -22.547
  597    HE1  HIS  81           HE1      HIS  81  23.350  20.701 -23.380
  598    H    GLN  82           H        GLN  82  21.122  17.656 -25.162
  599    HA   GLN  82           HA       GLN  82  23.102  17.372 -27.307
  600   1HB   GLN  82          HB2       GLN  82  21.445  17.555 -29.077
  601   2HB   GLN  82          HB3       GLN  82  21.174  16.115 -28.107
  602   1HG   GLN  82          HG2       GLN  82  19.435  17.736 -26.845
  603   2HG   GLN  82          HG3       GLN  82  19.477  18.576 -28.383
  604   1HE2  GLN  82          HE22      GLN  82  17.786  16.299 -26.684
  605   2HE2  GLN  82          HE21      GLN  82  17.147  15.338 -28.010
  606    H    SER  83           H        SER  83  24.160  19.206 -26.572
  607    HA   SER  83           HA       SER  83  22.945  21.574 -25.660
  608   1HB   SER  83          HB2       SER  83  25.636  21.269 -27.045
  609   2HB   SER  83          HB3       SER  83  25.161  22.523 -25.883
  610    HG   SER  83           HG       SER  83  26.373  20.813 -24.919
  611    H    GLN  84           H        GLN  84  22.975  20.354 -28.862
  612    HA   GLN  84           HA       GLN  84  22.814  22.774 -30.374
  613   1HB   GLN  84          HB2       GLN  84  21.548  20.025 -30.834
  614   2HB   GLN  84          HB3       GLN  84  21.625  21.330 -32.008
  615   1HG   GLN  84          HG2       GLN  84  23.358  19.874 -32.622
  616   2HG   GLN  84          HG3       GLN  84  24.140  21.260 -31.877
  617   1HE2  GLN  84          HE22      GLN  84  26.022  19.719 -31.723
  618   2HE2  GLN  84          HE21      GLN  84  26.087  18.620 -30.370
  619    H    ASP  85           H        ASP  85  20.502  21.110 -28.231
  620    HA   ASP  85           HA       ASP  85  18.455  23.177 -28.878
  621   1HB   ASP  85          HB2       ASP  85  18.142  21.039 -30.202
  622   2HB   ASP  85          HB3       ASP  85  17.875  20.207 -28.670
  623    H    LYS  86           H        LYS  86  20.214  21.692 -26.445
  624    HA   LYS  86           HA       LYS  86  20.107  21.631 -24.202
  625   1HB   LYS  86          HB2       LYS  86  18.400  24.121 -24.572
  626   2HB   LYS  86          HB3       LYS  86  18.985  23.517 -23.029
  627   1HG   LYS  86          HG2       LYS  86  20.465  25.203 -23.564
  628   2HG   LYS  86          HG3       LYS  86  21.346  23.705 -23.869
  629   1HD   LYS  86          HD2       LYS  86  20.982  23.988 -26.300
  630   2HD   LYS  86          HD3       LYS  86  20.012  25.444 -26.005
  631   1HE   LYS  86          HE2       LYS  86  21.937  26.610 -25.081
  632   2HE   LYS  86          HE3       LYS  86  22.900  25.125 -25.083
  633   1HZ   LYS  86          HZ1       LYS  86  22.829  25.110 -27.474
  634   2HZ   LYS  86          HZ2       LYS  86  21.925  26.487 -27.523
  635   3HZ   LYS  86          HZ3       LYS  86  23.455  26.532 -26.957
  636    H    LYS  87           H        LYS  87  18.809  19.625 -25.028
  637    HA   LYS  87           HA       LYS  87  16.340  19.402 -23.411
  638   1HB   LYS  87          HB2       LYS  87  15.614  20.186 -25.611
  639   2HB   LYS  87          HB3       LYS  87  16.541  18.911 -26.411
  640   1HG   LYS  87          HG2       LYS  87  15.019  17.208 -25.329
  641   2HG   LYS  87          HG3       LYS  87  14.128  18.549 -24.587
  642   1HD   LYS  87          HD2       LYS  87  12.876  17.999 -26.520
  643   2HD   LYS  87          HD3       LYS  87  13.755  19.471 -26.924
  644   1HE   LYS  87          HE2       LYS  87  15.573  17.709 -27.833
  645   2HE   LYS  87          HE3       LYS  87  14.175  16.628 -27.890
  646   1HZ   LYS  87          HZ1       LYS  87  14.466  19.253 -29.234
  647   2HZ   LYS  87          HZ2       LYS  87  14.468  17.792 -29.981
  648   3HZ   LYS  87          HZ3       LYS  87  13.088  18.343 -29.299
  649    H    ILE  88           H        ILE  88  17.167  17.853 -22.043
  650    HA   ILE  88           HA       ILE  88  18.688  15.587 -22.875
  651    HB   ILE  88           HB       ILE  88  17.165  16.402 -20.444
  652   1HG1  ILE  88          HG12      ILE  88  19.873  15.101 -20.820
  653   2HG1  ILE  88          HG13      ILE  88  19.563  16.840 -20.808
  654   1HG2  ILE  88          HG21      ILE  88  17.864  13.478 -20.859
  655   2HG2  ILE  88          HG22      ILE  88  17.301  14.208 -19.339
  656   3HG2  ILE  88          HG23      ILE  88  16.221  14.128 -20.718
  657   1HD1  ILE  88          HD11      ILE  88  20.396  16.252 -18.655
  658   2HD1  ILE  88          HD12      ILE  88  18.670  16.618 -18.464
  659   3HD1  ILE  88          HD13      ILE  88  19.240  14.929 -18.471
  660    H    HIS  89           H        HIS  89  18.010  13.400 -23.220
  661    HA   HIS  89           HA       HIS  89  15.205  13.020 -24.074
  662   1HB   HIS  89          HB2       HIS  89  16.691  13.617 -26.038
  663   2HB   HIS  89          HB3       HIS  89  17.608  12.144 -25.716
  664    HD1  HIS  89           HD1      HIS  89  14.124  13.297 -26.927
  665    HD2  HIS  89           HD2      HIS  89  16.523   9.845 -26.574
  666    HE1  HIS  89           HE1      HIS  89  12.967  11.462 -28.277
  667    H    VAL  90           H        VAL  90  14.558  10.783 -23.953
  668    HA   VAL  90           HA       VAL  90  16.323   9.017 -22.320
  669    HB   VAL  90           HB       VAL  90  13.312   9.305 -21.993
  670   1HG1  VAL  90          HG11      VAL  90  15.443   8.204 -20.113
  671   2HG1  VAL  90          HG12      VAL  90  13.685   8.213 -19.843
  672   3HG1  VAL  90          HG13      VAL  90  14.382   7.229 -21.144
  673   1HG2  VAL  90          HG21      VAL  90  15.429  10.795 -20.391
  674   2HG2  VAL  90          HG22      VAL  90  14.127  11.503 -21.373
  675   3HG2  VAL  90          HG23      VAL  90  13.727  10.609 -19.910
  676    H    TYR  91           H        TYR  91  16.470   6.914 -23.175
  677    HA   TYR  91           HA       TYR  91  14.445   5.855 -24.972
  678   1HB   TYR  91          HB2       TYR  91  15.595   5.889 -26.981
  679   2HB   TYR  91          HB3       TYR  91  15.747   7.521 -26.401
  680    HD1  TYR  91           HD1      TYR  91  18.139   7.344 -24.539
  681    HD2  TYR  91           HD2      TYR  91  17.399   5.535 -28.392
  682    HE1  TYR  91           HE1      TYR  91  20.555   7.204 -24.927
  683    HE2  TYR  91           HE2      TYR  91  19.828   5.446 -28.814
  684    HH   TYR  91           HH       TYR  91  21.964   6.063 -28.026
  685    H    GLY  92           H        GLY  92  15.619   3.771 -26.142
  686   1HA   GLY  92          HA2       GLY  92  16.755   1.794 -25.876
  687   2HA   GLY  92          HA3       GLY  92  17.721   2.523 -24.590
  688    H    TYR  93           H        TYR  93  17.393   0.254 -23.698
  689    HA   TYR  93           HA       TYR  93  15.289   0.375 -21.704
  690   1HB   TYR  93          HB2       TYR  93  14.407  -1.844 -22.124
  691   2HB   TYR  93          HB3       TYR  93  14.081  -0.773 -23.473
  692    HD1  TYR  93           HD1      TYR  93  15.882  -3.796 -22.356
  693    HD2  TYR  93           HD2      TYR  93  15.076  -1.165 -25.682
  694    HE1  TYR  93           HE1      TYR  93  16.706  -5.527 -23.920
  695    HE2  TYR  93           HE2      TYR  93  15.872  -2.892 -27.252
  696    HH   TYR  93           HH       TYR  93  16.740  -5.048 -27.487
  697    H    SER  94           H        SER  94  15.847  -0.853 -19.848
  698    HA   SER  94           HA       SER  94  18.666  -1.495 -19.633
  699   1HB   SER  94          HB2       SER  94  18.217  -2.039 -17.352
  700   2HB   SER  94          HB3       SER  94  17.362  -0.553 -17.752
  701    HG   SER  94           HG       SER  94  15.441  -1.966 -18.008
  702    H    MET  95           H        MET  95  19.680  -3.458 -19.893
  703    HA   MET  95           HA       MET  95  18.156  -5.765 -20.776
  704   1HB   MET  95          HB2       MET  95  20.244  -6.957 -20.732
  705   2HB   MET  95          HB3       MET  95  20.452  -5.413 -21.530
  706   1HG   MET  95          HG2       MET  95  21.335  -6.125 -18.705
  707   2HG   MET  95          HG3       MET  95  22.367  -6.027 -20.117
  708   1HE   MET  95          HE1       MET  95  21.336  -3.284 -21.550
  709   2HE   MET  95          HE2       MET  95  22.492  -2.148 -20.837
  710   3HE   MET  95          HE3       MET  95  23.039  -3.756 -21.364
  711    H    ALA  96           H        ALA  96  19.206  -4.462 -17.684
  712    HA   ALA  96           HA       ALA  96  19.009  -6.862 -16.156
  713   1HB   ALA  96          HB1       ALA  96  19.125  -5.329 -14.227
  714   2HB   ALA  96          HB2       ALA  96  20.333  -4.902 -15.451
  715   3HB   ALA  96          HB3       ALA  96  18.843  -3.938 -15.288
  716    H    TYR  97           H        TYR  97  16.638  -4.165 -16.739
  717    HA   TYR  97           HA       TYR  97  14.569  -5.800 -15.345
  718   1HB   TYR  97          HB2       TYR  97  14.948  -2.799 -15.154
  719   2HB   TYR  97          HB3       TYR  97  13.835  -3.792 -14.226
  720    HD1  TYR  97           HD1      TYR  97  15.241  -5.925 -13.040
  721    HD2  TYR  97           HD2      TYR  97  16.717  -1.957 -13.876
  722    HE1  TYR  97           HE1      TYR  97  16.952  -6.205 -11.284
  723    HE2  TYR  97           HE2      TYR  97  18.407  -2.210 -12.083
  724    HH   TYR  97           HH       TYR  97  18.719  -5.237 -10.150
  725    H    GLY  98           H        GLY  98  15.293  -4.539 -18.357
  726   1HA   GLY  98          HA2       GLY  98  13.912  -4.566 -20.210
  727   2HA   GLY  98          HA3       GLY  98  12.482  -4.691 -19.179
  728    HA   PRO  99           HA       PRO  99  12.947  -0.284 -20.733
  729   1HB   PRO  99          HB2       PRO  99  10.494  -0.078 -21.986
  730   2HB   PRO  99          HB3       PRO  99  11.969  -0.653 -22.803
  731   1HG   PRO  99          HG2       PRO  99   9.735  -2.298 -21.605
  732   2HG   PRO  99          HG3       PRO  99  10.573  -2.529 -23.171
  733   1HD   PRO  99          HD2       PRO  99  11.201  -3.969 -20.932
  734   2HD   PRO  99          HD3       PRO  99  12.444  -3.503 -22.131
  735    H    ALA 100           H        ALA 100  12.352   1.270 -19.334
  736    HA   ALA 100           HA       ALA 100  10.276   0.857 -17.287
  737   1HB   ALA 100          HB1       ALA 100  12.309   2.208 -16.774
  738   2HB   ALA 100          HB2       ALA 100  11.953   3.240 -18.172
  739   3HB   ALA 100          HB3       ALA 100  10.887   3.251 -16.762
  740    H    GLN 101           H        GLN 101   8.585   2.624 -17.080
  741    HA   GLN 101           HA       GLN 101   7.294   3.285 -19.658
  742   1HB   GLN 101          HB2       GLN 101   6.574   3.929 -16.759
  743   2HB   GLN 101          HB3       GLN 101   5.660   4.484 -18.166
  744   1HG   GLN 101          HG2       GLN 101   6.055   1.613 -17.277
  745   2HG   GLN 101          HG3       GLN 101   4.586   2.602 -17.145
  746   1HE2  GLN 101          HE22      GLN 101   3.589   3.385 -19.261
  747   2HE2  GLN 101          HE21      GLN 101   3.710   2.333 -20.648
  748    H    HIS 102           H        HIS 102   9.229   4.425 -20.417
  749    HA   HIS 102           HA       HIS 102  10.502   6.519 -19.117
  750   1HB   HIS 102          HB2       HIS 102   9.972   6.077 -22.064
  751   2HB   HIS 102          HB3       HIS 102  11.138   7.256 -21.447
  752    HD1  HIS 102           HD1      HIS 102  11.051   3.675 -22.483
  753    HD2  HIS 102           HD2      HIS 102  12.936   6.028 -19.563
  754    HE1  HIS 102           HE1      HIS 102  12.996   2.293 -21.588
  755    H    ALA 103           H        ALA 103   7.316   6.608 -20.525
  756    HA   ALA 103           HA       ALA 103   6.803   9.351 -20.778
  757   1HB   ALA 103          HB1       ALA 103   5.067   7.076 -19.667
  758   2HB   ALA 103          HB2       ALA 103   4.466   8.668 -20.188
  759   3HB   ALA 103          HB3       ALA 103   5.203   7.574 -21.374
  760    H    ILE 104           H        ILE 104   6.911   7.302 -17.811
  761    HA   ILE 104           HA       ILE 104   6.017   9.301 -15.951
  762    HB   ILE 104           HB       ILE 104   7.918   6.962 -15.501
  763   1HG1  ILE 104          HG12      ILE 104   5.721   6.204 -16.473
  764   2HG1  ILE 104          HG13      ILE 104   6.169   5.520 -14.923
  765   1HG2  ILE 104          HG21      ILE 104   8.034   8.463 -13.628
  766   2HG2  ILE 104          HG22      ILE 104   6.271   8.597 -13.535
  767   3HG2  ILE 104          HG23      ILE 104   7.076   7.064 -13.134
  768   1HD1  ILE 104          HD11      ILE 104   4.190   7.802 -15.245
  769   2HD1  ILE 104          HD12      ILE 104   3.770   6.077 -15.101
  770   3HD1  ILE 104          HD13      ILE 104   4.574   6.895 -13.752
  771    H    SER 105           H        SER 105   9.282   8.171 -17.076
  772    HA   SER 105           HA       SER 105  10.791   9.745 -15.402
  773   1HB   SER 105          HB2       SER 105  11.478   8.834 -18.227
  774   2HB   SER 105          HB3       SER 105  12.600   9.202 -16.919
  775    HG   SER 105           HG       SER 105  12.175   6.924 -16.982
  776    H    THR 106           H        THR 106   9.783  10.508 -18.800
  777    HA   THR 106           HA       THR 106  10.918  13.115 -18.751
  778    HB   THR 106           HB       THR 106   9.286  13.525 -20.687
  779    HG1  THR 106           HG1      THR 106   7.736  11.926 -20.208
  780   1HG2  THR 106          HG21      THR 106  11.131  11.099 -20.824
  781   2HG2  THR 106          HG22      THR 106  10.578  12.107 -22.180
  782   3HG2  THR 106          HG23      THR 106  11.647  12.795 -20.948
  783    H    GLU 107           H        GLU 107   7.592  12.034 -17.754
  784    HA   GLU 107           HA       GLU 107   6.635  14.700 -17.428
  785   1HB   GLU 107          HB2       GLU 107   5.779  12.014 -16.294
  786   2HB   GLU 107          HB3       GLU 107   5.026  13.522 -15.765
  787   1HG   GLU 107          HG2       GLU 107   4.443  14.095 -18.095
  788   2HG   GLU 107          HG3       GLU 107   5.162  12.596 -18.665
  789    H    LYS 108           H        LYS 108   8.208  12.435 -15.087
  790    HA   LYS 108           HA       LYS 108   8.080  14.282 -12.888
  791   1HB   LYS 108          HB2       LYS 108  10.041  12.010 -13.453
  792   2HB   LYS 108          HB3       LYS 108   9.946  12.903 -11.942
  793   1HG   LYS 108          HG2       LYS 108   7.914  10.951 -13.041
  794   2HG   LYS 108          HG3       LYS 108   8.868  10.861 -11.570
  795   1HD   LYS 108          HD2       LYS 108   7.512  13.127 -10.992
  796   2HD   LYS 108          HD3       LYS 108   6.400  12.480 -12.191
  797   1HE   LYS 108          HE2       LYS 108   5.638  11.785 -10.047
  798   2HE   LYS 108          HE3       LYS 108   6.282  10.337 -10.832
  799   1HZ   LYS 108          HZ1       LYS 108   6.944  10.900  -8.396
  800   2HZ   LYS 108          HZ2       LYS 108   8.149  10.384  -9.373
  801   3HZ   LYS 108          HZ3       LYS 108   7.993  11.963  -9.043
  802    H    ILE 109           H        ILE 109  10.619  13.712 -15.388
  803    HA   ILE 109           HA       ILE 109  12.435  15.624 -14.326
  804    HB   ILE 109           HB       ILE 109  12.027  14.482 -17.108
  805   1HG1  ILE 109          HG12      ILE 109  14.417  14.228 -15.221
  806   2HG1  ILE 109          HG13      ILE 109  13.035  13.139 -15.096
  807   1HG2  ILE 109          HG21      ILE 109  12.970  16.730 -17.465
  808   2HG2  ILE 109          HG22      ILE 109  14.166  16.452 -16.189
  809   3HG2  ILE 109          HG23      ILE 109  14.245  15.532 -17.680
  810   1HD1  ILE 109          HD11      ILE 109  14.857  13.434 -17.528
  811   2HD1  ILE 109          HD12      ILE 109  14.775  12.076 -16.407
  812   3HD1  ILE 109          HD13      ILE 109  13.396  12.423 -17.468
  813    H    LYS 110           H        LYS 110   9.806  16.116 -16.849
  814    HA   LYS 110           HA       LYS 110  10.384  18.902 -17.057
  815   1HB   LYS 110          HB2       LYS 110   7.820  17.350 -17.611
  816   2HB   LYS 110          HB3       LYS 110   7.995  19.091 -17.878
  817   1HG   LYS 110          HG2       LYS 110   9.949  18.644 -19.389
  818   2HG   LYS 110          HG3       LYS 110   9.653  16.914 -19.209
  819   1HD   LYS 110          HD2       LYS 110   8.734  17.740 -21.309
  820   2HD   LYS 110          HD3       LYS 110   7.445  17.141 -20.258
  821   1HE   LYS 110          HE2       LYS 110   6.788  19.392 -19.641
  822   2HE   LYS 110          HE3       LYS 110   8.204  20.096 -20.435
  823   1HZ   LYS 110          HZ1       LYS 110   6.045  20.220 -21.669
  824   2HZ   LYS 110          HZ2       LYS 110   7.300  19.666 -22.533
  825   3HZ   LYS 110          HZ3       LYS 110   6.148  18.619 -21.961
  826    H    ALA 111           H        ALA 111   8.271  17.164 -14.723
  827    HA   ALA 111           HA       ALA 111   7.154  19.491 -13.549
  828   1HB   ALA 111          HB1       ALA 111   7.775  16.806 -12.240
  829   2HB   ALA 111          HB2       ALA 111   6.662  18.042 -11.629
  830   3HB   ALA 111          HB3       ALA 111   6.301  17.206 -13.151
  831    H    LYS 112           H        LYS 112  10.228  17.748 -12.789
  832    HA   LYS 112           HA       LYS 112  10.849  19.644 -10.642
  833   1HB   LYS 112          HB2       LYS 112  12.329  17.281 -11.847
  834   2HB   LYS 112          HB3       LYS 112  13.029  18.287 -10.588
  835   1HG   LYS 112          HG2       LYS 112  10.434  16.709 -10.373
  836   2HG   LYS 112          HG3       LYS 112  11.987  16.255  -9.674
  837   1HD   LYS 112          HD2       LYS 112  10.235  18.605  -8.851
  838   2HD   LYS 112          HD3       LYS 112  10.524  17.122  -7.954
  839   1HE   LYS 112          HE2       LYS 112  12.937  17.700  -7.741
  840   2HE   LYS 112          HE3       LYS 112  12.654  19.202  -8.629
  841   1HZ   LYS 112          HZ1       LYS 112  12.651  19.573  -6.248
  842   2HZ   LYS 112          HZ2       LYS 112  11.174  19.910  -6.842
  843   3HZ   LYS 112          HZ3       LYS 112  11.429  18.522  -6.016
  844    H    TYR 113           H        TYR 113  11.469  19.498 -14.018
  845    HA   TYR 113           HA       TYR 113  12.841  20.450 -15.431
  846   1HB   TYR 113          HB2       TYR 113  12.916  22.931 -15.410
  847   2HB   TYR 113          HB3       TYR 113  11.344  22.180 -15.368
  848    HD1  TYR 113           HD1      TYR 113   9.873  22.319 -13.411
  849    HD2  TYR 113           HD2      TYR 113  13.705  24.302 -13.483
  850    HE1  TYR 113           HE1      TYR 113   9.202  23.676 -11.453
  851    HE2  TYR 113           HE2      TYR 113  13.046  25.667 -11.532
  852    HH   TYR 113           HH       TYR 113  11.376  26.134  -9.972
  853    HA   PRO 114           HA       PRO 114  16.857  20.427 -13.071
  854   1HB   PRO 114          HB2       PRO 114  17.805  17.990 -13.815
  855   2HB   PRO 114          HB3       PRO 114  16.682  18.160 -12.428
  856   1HG   PRO 114          HG2       PRO 114  16.029  17.407 -15.280
  857   2HG   PRO 114          HG3       PRO 114  15.509  16.587 -13.772
  858   1HD   PRO 114          HD2       PRO 114  13.958  18.431 -15.102
  859   2HD   PRO 114          HD3       PRO 114  13.900  18.220 -13.324
  860    H    ASP 115           H        ASP 115  15.427  19.969 -16.177
  861    HA   ASP 115           HA       ASP 115  17.513  21.461 -17.536
  862   1HB   ASP 115          HB2       ASP 115  18.024  19.071 -18.076
  863   2HB   ASP 115          HB3       ASP 115  16.362  18.856 -18.637
  864    H    TYR 116           H        TYR 116  16.426  22.375 -19.572
  865    HA   TYR 116           HA       TYR 116  14.156  23.772 -18.696
  866   1HB   TYR 116          HB2       TYR 116  15.179  23.434 -21.541
  867   2HB   TYR 116          HB3       TYR 116  14.074  24.683 -20.991
  868    HD1  TYR 116           HD1      TYR 116  17.561  23.637 -21.198
  869    HD2  TYR 116           HD2      TYR 116  14.860  26.451 -19.357
  870    HE1  TYR 116           HE1      TYR 116  19.482  25.083 -20.618
  871    HE2  TYR 116           HE2      TYR 116  16.775  27.909 -18.765
  872    HH   TYR 116           HH       TYR 116  20.172  27.068 -19.603
  873    H    GLU 117           H        GLU 117  14.306  21.079 -21.073
  874    HA   GLU 117           HA       GLU 117  11.659  20.161 -20.466
  875   1HB   GLU 117          HB2       GLU 117  10.960  21.923 -21.988
  876   2HB   GLU 117          HB3       GLU 117  12.221  21.508 -23.158
  877   1HG   GLU 117          HG2       GLU 117  11.127  19.482 -23.778
  878   2HG   GLU 117          HG3       GLU 117  10.066  19.533 -22.353
  879    H    VAL 118           H        VAL 118  11.369  18.034 -21.685
  880    HA   VAL 118           HA       VAL 118  13.808  16.954 -22.895
  881    HB   VAL 118           HB       VAL 118  13.752  14.961 -21.452
  882   1HG1  VAL 118          HG11      VAL 118  15.179  17.028 -21.004
  883   2HG1  VAL 118          HG12      VAL 118  14.065  17.420 -19.691
  884   3HG1  VAL 118          HG13      VAL 118  14.977  15.892 -19.666
  885   1HG2  VAL 118          HG21      VAL 118  11.346  15.167 -20.673
  886   2HG2  VAL 118          HG22      VAL 118  12.527  14.834 -19.402
  887   3HG2  VAL 118          HG23      VAL 118  11.870  16.473 -19.597
  888    H    THR 119           H        THR 119  13.341  14.646 -23.675
  889    HA   THR 119           HA       THR 119  10.537  14.192 -24.482
  890    HB   THR 119           HB       THR 119  11.536  13.719 -26.853
  891    HG1  THR 119           HG1      THR 119  13.463  15.503 -25.774
  892   1HG2  THR 119          HG21      THR 119   9.905  15.483 -26.491
  893   2HG2  THR 119          HG22      THR 119  11.163  16.588 -25.916
  894   3HG2  THR 119          HG23      THR 119  11.170  16.029 -27.604
  895    H    TRP 120           H        TRP 120  10.498  11.939 -25.703
  896    HA   TRP 120           HA       TRP 120  12.742  10.236 -25.030
  897   1HB   TRP 120          HB2       TRP 120  11.489   8.510 -23.939
  898   2HB   TRP 120          HB3       TRP 120  11.247   9.980 -23.030
  899    HD1  TRP 120           HD1      TRP 120   8.753  11.235 -23.807
  900    HE1  TRP 120           HE1      TRP 120   6.466  10.103 -23.838
  901    HE3  TRP 120           HE3      TRP 120  10.286   6.410 -24.500
  902    HZ2  TRP 120           HZ2      TRP 120   5.425   7.398 -24.044
  903    HZ3  TRP 120           HZ3      TRP 120   8.633   4.566 -24.534
  904    HH2  TRP 120           HH2      TRP 120   6.204   5.044 -24.312
  905    H    ALA 121           H        ALA 121  12.363   8.019 -26.028
  906    HA   ALA 121           HA       ALA 121  10.288   7.941 -28.078
  907   1HB   ALA 121          HB1       ALA 121  13.256   7.516 -28.741
  908   2HB   ALA 121          HB2       ALA 121  11.898   7.194 -29.841
  909   3HB   ALA 121          HB3       ALA 121  12.245   8.858 -29.327
  910    H    ASN 122           H        ASN 122   9.645   5.825 -28.455
  911    HA   ASN 122           HA       ASN 122  10.407   3.912 -26.366
  912   1HB   ASN 122          HB2       ASN 122   8.018   4.491 -26.886
  913   2HB   ASN 122          HB3       ASN 122   8.226   3.778 -28.484
  914   1HD2  ASN 122          HD21      ASN 122   6.686   2.066 -28.141
  915   2HD2  ASN 122          HD22      ASN 122   6.974   0.775 -27.006
  916    H    ASP 123           H        ASP 123  12.588   4.143 -27.911
  917    HA   ASP 123           HA       ASP 123  12.756   1.693 -29.520
  918   1HB   ASP 123          HB2       ASP 123  11.905   3.711 -30.977
  919   2HB   ASP 123          HB3       ASP 123  13.559   4.312 -30.791
  920    H    GLY 124           H        GLY 124  15.076   1.780 -30.546
  921   1HA   GLY 124          HA2       GLY 124  17.380   1.783 -30.225
  922   2HA   GLY 124          HA3       GLY 124  17.204   2.907 -28.873
  923    H    TYR 125           H        TYR 125  18.955   1.198 -28.252
  924    HA   TYR 125           HA       TYR 125  17.779  -0.470 -26.165
  925   1HB   TYR 125          HB2       TYR 125  18.128  -2.170 -27.862
  926   2HB   TYR 125          HB3       TYR 125  19.682  -1.479 -28.309
  927    HD1  TYR 125           HD1      TYR 125  21.192  -3.243 -27.970
  928    HD2  TYR 125           HD2      TYR 125  18.412  -2.234 -24.823
  929    HE1  TYR 125           HE1      TYR 125  22.370  -4.782 -26.440
  930    HE2  TYR 125           HE2      TYR 125  19.576  -3.770 -23.293
  931    HH   TYR 125           HH       TYR 125  22.460  -5.683 -24.300
  Start of MODEL   13
    1   1H    MET   1          H1        MET   1   9.375  16.247  16.211
    2   2H    MET   1          H2        MET   1  10.482  17.330  15.661
    3   3H    MET   1          H3        MET   1   9.096  17.069  14.828
    4    HA   MET   1           HA       MET   1  10.903  15.999  13.720
    5   1HB   MET   1          HB2       MET   1  12.294  15.675  15.765
    6   2HB   MET   1          HB3       MET   1  11.203  14.388  16.297
    7   1HG   MET   1          HG2       MET   1  11.769  13.073  14.279
    8   2HG   MET   1          HG3       MET   1  12.802  14.387  13.703
    9   1HE   MET   1          HE1       MET   1  15.350  11.539  14.550
   10   2HE   MET   1          HE2       MET   1  13.710  11.348  13.895
   11   3HE   MET   1          HE3       MET   1  14.755  12.663  13.309
   12    H    ALA   2           H        ALA   2  10.208  14.433  12.296
   13    HA   ALA   2           HA       ALA   2   8.341  12.339  13.102
   14   1HB   ALA   2          HB1       ALA   2   7.637  14.386  10.938
   15   2HB   ALA   2          HB2       ALA   2   6.725  12.908  11.307
   16   3HB   ALA   2          HB3       ALA   2   6.809  14.212  12.503
   17    H    VAL   3           H        VAL   3   8.040  10.838  11.138
   18    HA   VAL   3           HA       VAL   3  10.561  10.252   9.915
   19    HB   VAL   3           HB       VAL   3   9.284   8.499   8.779
   20   1HG1  VAL   3          HG11      VAL   3   8.706   7.192  10.722
   21   2HG1  VAL   3          HG12      VAL   3  10.121   8.191  11.103
   22   3HG1  VAL   3          HG13      VAL   3   8.523   8.646  11.722
   23   1HG2  VAL   3          HG21      VAL   3   7.099   9.683   8.441
   24   2HG2  VAL   3          HG22      VAL   3   6.934   8.077   9.147
   25   3HG2  VAL   3          HG23      VAL   3   6.769   9.515  10.176
   26    H    ALA   4           H        ALA   4  10.822  10.002   7.512
   27    HA   ALA   4           HA       ALA   4  10.186  12.393   6.038
   28   1HB   ALA   4          HB1       ALA   4  11.177   9.685   5.019
   29   2HB   ALA   4          HB2       ALA   4  11.230  11.227   4.153
   30   3HB   ALA   4          HB3       ALA   4  12.212  10.998   5.609
   31    H    ASP   5           H        ASP   5   9.133  11.969   3.692
   32    HA   ASP   5           HA       ASP   5   6.772  10.232   3.757
   33   1HB   ASP   5          HB2       ASP   5   5.939  12.269   4.883
   34   2HB   ASP   5          HB3       ASP   5   6.594  13.276   3.587
   35    H    LEU   6           H        LEU   6   5.882  10.068   1.537
   36    HA   LEU   6           HA       LEU   6   7.850   9.906  -0.442
   37   1HB   LEU   6          HB2       LEU   6   4.830  10.161  -0.749
   38   2HB   LEU   6          HB3       LEU   6   5.945   9.657  -2.010
   39    HG   LEU   6           HG       LEU   6   5.436   8.143   0.565
   40   1HD1  LEU   6          HD11      LEU   6   4.323   6.487  -0.952
   41   2HD1  LEU   6          HD12      LEU   6   3.502   8.055  -0.907
   42   3HD1  LEU   6          HD13      LEU   6   4.513   7.622  -2.293
   43   1HD2  LEU   6          HD21      LEU   6   7.664   7.621  -0.084
   44   2HD2  LEU   6          HD22      LEU   6   6.676   6.279  -0.645
   45   3HD2  LEU   6          HD23      LEU   6   7.227   7.493  -1.804
   46    H    ALA   7           H        ALA   7   5.738  12.712   0.340
   47    HA   ALA   7           HA       ALA   7   6.273  14.120  -2.074
   48   1HB   ALA   7          HB1       ALA   7   5.444  16.081  -0.837
   49   2HB   ALA   7          HB2       ALA   7   4.407  14.671  -0.547
   50   3HB   ALA   7          HB3       ALA   7   5.576  15.192   0.693
   51    H    LEU   8           H        LEU   8   8.211  13.574   0.801
   52    HA   LEU   8           HA       LEU   8   9.967  15.900   0.322
   53   1HB   LEU   8          HB2       LEU   8  10.077  13.727   2.452
   54   2HB   LEU   8          HB3       LEU   8  11.080  15.166   2.391
   55    HG   LEU   8           HG       LEU   8   8.054  15.148   2.782
   56   1HD1  LEU   8          HD11      LEU   8  10.316  15.712   4.744
   57   2HD1  LEU   8          HD12      LEU   8   8.576  15.855   5.081
   58   3HD1  LEU   8          HD13      LEU   8   9.273  14.272   4.724
   59   1HD2  LEU   8          HD21      LEU   8   8.337  17.558   3.344
   60   2HD2  LEU   8          HD22      LEU   8  10.037  17.467   2.832
   61   3HD2  LEU   8          HD23      LEU   8   8.724  17.219   1.657
   62    H    ILE   9           H        ILE   9   9.869  12.415  -0.295
   63    HA   ILE   9           HA       ILE   9  12.633  11.936  -0.557
   64    HB   ILE   9           HB       ILE   9  10.282  10.690  -2.014
   65   1HG1  ILE   9          HG12      ILE   9  11.781   9.942   0.521
   66   2HG1  ILE   9          HG13      ILE   9  10.093  10.461   0.353
   67   1HG2  ILE   9          HG21      ILE   9  11.761   8.798  -2.554
   68   2HG2  ILE   9          HG22      ILE   9  12.459  10.264  -3.227
   69   3HG2  ILE   9          HG23      ILE   9  13.109   9.593  -1.725
   70   1HD1  ILE   9          HD11      ILE   9  11.274   7.818  -0.453
   71   2HD1  ILE   9          HD12      ILE   9   9.991   8.166   0.720
   72   3HD1  ILE   9          HD13      ILE   9   9.678   8.390  -1.017
   73    HA   PRO  10           HA       PRO  10  13.369  14.709  -4.027
   74   1HB   PRO  10          HB2       PRO  10  15.775  13.702  -4.996
   75   2HB   PRO  10          HB3       PRO  10  15.597  14.772  -3.574
   76   1HG   PRO  10          HG2       PRO  10  15.855  11.760  -3.623
   77   2HG   PRO  10          HG3       PRO  10  16.669  12.929  -2.539
   78   1HD   PRO  10          HD2       PRO  10  14.480  11.535  -1.756
   79   2HD   PRO  10          HD3       PRO  10  14.706  13.237  -1.256
   80    H    ASP  11           H        ASP  11  12.127  14.572  -5.764
   81    HA   ASP  11           HA       ASP  11  11.225  12.078  -6.756
   82   1HB   ASP  11          HB2       ASP  11  10.082  14.423  -6.533
   83   2HB   ASP  11          HB3       ASP  11  10.723  14.715  -8.151
   84    H    VAL  12           H        VAL  12  13.538  14.425  -8.095
   85    HA   VAL  12           HA       VAL  12  14.296  12.512 -10.237
   86    HB   VAL  12           HB       VAL  12  13.743  15.486 -10.601
   87   1HG1  VAL  12          HG11      VAL  12  15.663  14.759 -11.992
   88   2HG1  VAL  12          HG12      VAL  12  14.686  13.430 -12.657
   89   3HG1  VAL  12          HG13      VAL  12  14.258  15.126 -12.982
   90   1HG2  VAL  12          HG21      VAL  12  11.632  14.277 -10.603
   91   2HG2  VAL  12          HG22      VAL  12  12.033  14.761 -12.246
   92   3HG2  VAL  12          HG23      VAL  12  12.281  13.074 -11.741
   93    H    ASP  13           H        ASP  13  16.516  12.358 -10.383
   94    HA   ASP  13           HA       ASP  13  18.204  14.622  -9.749
   95   1HB   ASP  13          HB2       ASP  13  17.889  13.455  -7.504
   96   2HB   ASP  13          HB3       ASP  13  18.662  12.040  -8.192
   97    H    ILE  14           H        ILE  14  19.302  14.595 -11.674
   98    HA   ILE  14           HA       ILE  14  20.393  12.060 -12.671
   99    HB   ILE  14           HB       ILE  14  19.741  12.692 -14.998
  100   1HG1  ILE  14          HG12      ILE  14  17.660  14.512 -13.702
  101   2HG1  ILE  14          HG13      ILE  14  19.091  15.078 -14.565
  102   1HG2  ILE  14          HG21      ILE  14  18.649  10.891 -13.659
  103   2HG2  ILE  14          HG22      ILE  14  17.386  12.041 -13.180
  104   3HG2  ILE  14          HG23      ILE  14  17.589  11.579 -14.885
  105   1HD1  ILE  14          HD11      ILE  14  16.784  13.511 -15.766
  106   2HD1  ILE  14          HD12      ILE  14  17.207  15.205 -16.047
  107   3HD1  ILE  14          HD13      ILE  14  18.287  13.922 -16.629
  108    H    ASP  15           H        ASP  15  22.425  12.269 -13.433
  109    HA   ASP  15           HA       ASP  15  23.792  14.606 -12.595
  110   1HB   ASP  15          HB2       ASP  15  24.678  12.240 -12.652
  111   2HB   ASP  15          HB3       ASP  15  24.917  12.428 -14.388
  112    H    SER  16           H        SER  16  22.418  13.870 -15.679
  113    HA   SER  16           HA       SER  16  22.355  14.916 -17.677
  114   1HB   SER  16          HB2       SER  16  23.050  17.404 -16.090
  115   2HB   SER  16          HB3       SER  16  22.190  17.315 -17.636
  116    HG   SER  16           HG       SER  16  21.344  16.281 -15.122
  117    H    ASP  17           H        ASP  17  24.895  13.666 -17.039
  118    HA   ASP  17           HA       ASP  17  27.124  15.309 -17.449
  119   1HB   ASP  17          HB2       ASP  17  27.220  13.044 -16.484
  120   2HB   ASP  17          HB3       ASP  17  26.823  12.339 -18.051
  121    H    GLY  18           H        GLY  18  25.317  13.390 -19.875
  122   1HA   GLY  18          HA2       GLY  18  25.714  14.825 -22.169
  123   2HA   GLY  18          HA3       GLY  18  27.222  13.902 -22.013
  124    H    VAL  19           H        VAL  19  26.737  11.482 -21.231
  125    HA   VAL  19           HA       VAL  19  24.196  10.395 -22.150
  126    HB   VAL  19           HB       VAL  19  26.827   9.271 -23.223
  127   1HG1  VAL  19          HG11      VAL  19  25.129   7.533 -22.770
  128   2HG1  VAL  19          HG12      VAL  19  23.928   8.447 -23.713
  129   3HG1  VAL  19          HG13      VAL  19  25.359   7.741 -24.509
  130   1HG2  VAL  19          HG21      VAL  19  25.976   9.818 -25.490
  131   2HG2  VAL  19          HG22      VAL  19  24.615  10.696 -24.763
  132   3HG2  VAL  19          HG23      VAL  19  26.286  11.267 -24.540
  133    H    PHE  20           H        PHE  20  23.592   8.908 -20.564
  134    HA   PHE  20           HA       PHE  20  25.527   7.427 -18.985
  135   1HB   PHE  20          HB2       PHE  20  24.860   8.425 -16.819
  136   2HB   PHE  20          HB3       PHE  20  25.779   9.529 -17.815
  137    HD1  PHE  20           HD1      PHE  20  24.565  11.403 -19.071
  138    HD2  PHE  20           HD2      PHE  20  22.642   8.994 -16.070
  139    HE1  PHE  20           HE1      PHE  20  22.746  13.074 -18.896
  140    HE2  PHE  20           HE2      PHE  20  20.870  10.708 -15.823
  141    HZ   PHE  20           HZ       PHE  20  20.914  12.756 -17.238
  142    H    LYS  21           H        LYS  21  24.312   6.068 -17.307
  143    HA   LYS  21           HA       LYS  21  21.825   5.144 -18.606
  144   1HB   LYS  21          HB2       LYS  21  23.226   3.929 -16.184
  145   2HB   LYS  21          HB3       LYS  21  22.034   3.161 -17.220
  146   1HG   LYS  21          HG2       LYS  21  24.903   3.856 -17.983
  147   2HG   LYS  21          HG3       LYS  21  24.261   2.263 -17.585
  148   1HD   LYS  21          HD2       LYS  21  22.829   2.278 -19.586
  149   2HD   LYS  21          HD3       LYS  21  23.336   3.927 -19.961
  150   1HE   LYS  21          HE2       LYS  21  24.551   2.406 -21.388
  151   2HE   LYS  21          HE3       LYS  21  25.667   3.198 -20.276
  152   1HZ   LYS  21          HZ1       LYS  21  24.620   0.445 -19.924
  153   2HZ   LYS  21          HZ2       LYS  21  26.086   0.819 -20.523
  154   3HZ   LYS  21          HZ3       LYS  21  25.753   1.173 -18.971
  155    H    TYR  22           H        TYR  22  19.929   4.582 -17.250
  156    HA   TYR  22           HA       TYR  22  19.684   6.086 -14.750
  157   1HB   TYR  22          HB2       TYR  22  18.545   7.813 -15.574
  158   2HB   TYR  22          HB3       TYR  22  18.894   7.266 -17.193
  159    HD1  TYR  22           HD1      TYR  22  16.320   7.827 -14.736
  160    HD2  TYR  22           HD2      TYR  22  17.304   5.522 -18.243
  161    HE1  TYR  22           HE1      TYR  22  13.941   7.165 -14.961
  162    HE2  TYR  22           HE2      TYR  22  14.948   4.811 -18.438
  163    HH   TYR  22           HH       TYR  22  12.401   5.946 -16.175
  164    H    VAL  23           H        VAL  23  17.510   5.588 -13.718
  165    HA   VAL  23           HA       VAL  23  16.199   3.154 -14.641
  166    HB   VAL  23           HB       VAL  23  18.187   2.444 -13.255
  167   1HG1  VAL  23          HG11      VAL  23  16.649   3.684 -10.937
  168   2HG1  VAL  23          HG12      VAL  23  18.087   2.652 -10.809
  169   3HG1  VAL  23          HG13      VAL  23  18.191   4.244 -11.585
  170   1HG2  VAL  23          HG21      VAL  23  16.297   0.945 -13.555
  171   2HG2  VAL  23          HG22      VAL  23  17.036   0.752 -11.965
  172   3HG2  VAL  23          HG23      VAL  23  15.496   1.623 -12.119
  173    H    LEU  24           H        LEU  24  14.144   2.836 -13.549
  174    HA   LEU  24           HA       LEU  24  13.054   5.272 -12.224
  175   1HB   LEU  24          HB2       LEU  24  12.221   4.913 -14.541
  176   2HB   LEU  24          HB3       LEU  24  11.711   3.290 -14.108
  177    HG   LEU  24           HG       LEU  24  10.069   4.323 -12.457
  178   1HD1  LEU  24          HD11      LEU  24  10.905   6.924 -13.822
  179   2HD1  LEU  24          HD12      LEU  24   9.531   6.718 -12.715
  180   3HD1  LEU  24          HD13      LEU  24  11.169   6.518 -12.110
  181   1HD2  LEU  24          HD21      LEU  24   8.489   5.012 -14.171
  182   2HD2  LEU  24          HD22      LEU  24   9.805   5.218 -15.356
  183   3HD2  LEU  24          HD23      LEU  24   9.403   3.604 -14.717
  184    H    ILE  25           H        ILE  25  12.725   4.715 -10.058
  185    HA   ILE  25           HA       ILE  25  12.021   1.871  -9.543
  186    HB   ILE  25           HB       ILE  25  13.554   1.517  -8.121
  187   1HG1  ILE  25          HG12      ILE  25  13.480   4.239  -6.818
  188   2HG1  ILE  25          HG13      ILE  25  12.431   2.900  -6.369
  189   1HG2  ILE  25          HG21      ILE  25  14.960   2.563  -9.833
  190   2HG2  ILE  25          HG22      ILE  25  14.923   4.101  -8.927
  191   3HG2  ILE  25          HG23      ILE  25  15.703   2.676  -8.239
  192   1HD1  ILE  25          HD11      ILE  25  15.445   2.947  -6.082
  193   2HD1  ILE  25          HD12      ILE  25  14.220   2.951  -4.810
  194   3HD1  ILE  25          HD13      ILE  25  14.410   1.512  -5.831
  195    H    ARG  26           H        ARG  26  10.303   1.420  -8.399
  196    HA   ARG  26           HA       ARG  26   8.467   3.575  -7.607
  197   1HB   ARG  26          HB2       ARG  26   7.615   1.532  -8.667
  198   2HB   ARG  26          HB3       ARG  26   8.300   0.528  -7.395
  199   1HG   ARG  26          HG2       ARG  26   6.766   1.308  -5.764
  200   2HG   ARG  26          HG3       ARG  26   6.319   2.736  -6.710
  201   1HD   ARG  26          HD2       ARG  26   5.709  -0.087  -7.653
  202   2HD   ARG  26          HD3       ARG  26   4.607   0.848  -6.621
  203    HE   ARG  26           HE       ARG  26   5.053   2.649  -8.564
  204   1HH1  ARG  26          HH21      ARG  26   4.066  -0.767  -8.879
  205   2HH1  ARG  26          HH22      ARG  26   3.203  -0.484 -10.346
  206   1HH2  ARG  26          HH11      ARG  26   3.988   3.011 -10.325
  207   2HH2  ARG  26          HH12      ARG  26   3.142   1.776 -11.242
  208    H    VAL  27           H        VAL  27   7.917   3.961  -5.450
  209    HA   VAL  27           HA       VAL  27   9.607   2.836  -3.282
  210    HB   VAL  27           HB       VAL  27   8.954   5.775  -3.834
  211   1HG1  VAL  27          HG11      VAL  27   9.241   5.214  -1.422
  212   2HG1  VAL  27          HG12      VAL  27  10.877   4.611  -1.802
  213   3HG1  VAL  27          HG13      VAL  27  10.478   6.315  -2.049
  214   1HG2  VAL  27          HG21      VAL  27  11.615   4.374  -4.252
  215   2HG2  VAL  27          HG22      VAL  27  10.601   5.144  -5.493
  216   3HG2  VAL  27          HG23      VAL  27  11.364   6.134  -4.255
  217    H    HIS  28           H        HIS  28   8.126   2.042  -1.778
  218    HA   HIS  28           HA       HIS  28   5.319   3.043  -1.817
  219   1HB   HIS  28          HB2       HIS  28   6.628   0.790  -0.245
  220   2HB   HIS  28          HB3       HIS  28   4.904   1.155  -0.321
  221    HD1  HIS  28           HD1      HIS  28   4.018   1.102  -3.172
  222    HD2  HIS  28           HD2      HIS  28   7.357  -1.107  -1.855
  223    HE1  HIS  28           HE1      HIS  28   4.360  -0.761  -4.861
  224    H    SER  29           H        SER  29   4.382   4.023   0.142
  225    HA   SER  29           HA       SER  29   6.251   5.551   1.705
  226   1HB   SER  29          HB2       SER  29   4.212   6.216   3.009
  227   2HB   SER  29          HB3       SER  29   4.154   6.553   1.286
  228    HG   SER  29           HG       SER  29   2.815   4.566   2.732
  229    H    ALA  30           H        ALA  30   7.633   4.331   2.934
  230    HA   ALA  30           HA       ALA  30   6.416   3.241   5.362
  231   1HB   ALA  30          HB1       ALA  30   7.745   1.175   5.311
  232   2HB   ALA  30          HB2       ALA  30   6.682   1.269   3.903
  233   3HB   ALA  30          HB3       ALA  30   8.411   1.621   3.729
  234    HA   PRO  31           HA       PRO  31  10.752   5.517   5.750
  235   1HB   PRO  31          HB2       PRO  31   8.845   7.703   6.616
  236   2HB   PRO  31          HB3       PRO  31  10.585   7.838   6.181
  237   1HG   PRO  31          HG2       PRO  31   8.734   8.348   4.276
  238   2HG   PRO  31          HG3       PRO  31  10.100   7.277   3.874
  239   1HD   PRO  31          HD2       PRO  31   7.277   6.522   4.687
  240   2HD   PRO  31          HD3       PRO  31   8.294   5.878   3.370
  241    H    ARG  32           H        ARG  32  11.674   4.932   7.514
  242    HA   ARG  32           HA       ARG  32  11.914   3.530   9.284
  243   1HB   ARG  32          HB2       ARG  32  10.912   6.037  10.657
  244   2HB   ARG  32          HB3       ARG  32  11.957   4.815  11.363
  245   1HG   ARG  32          HG2       ARG  32  12.654   6.707   9.080
  246   2HG   ARG  32          HG3       ARG  32  13.261   6.767  10.725
  247   1HD   ARG  32          HD2       ARG  32  13.844   4.559   8.701
  248   2HD   ARG  32          HD3       ARG  32  14.935   5.865   9.169
  249    HE   ARG  32           HE       ARG  32  14.198   4.549  11.533
  250   1HH1  ARG  32          HH11      ARG  32  16.073   3.813   8.575
  251   2HH1  ARG  32          HH12      ARG  32  17.018   2.593   9.345
  252   1HH2  ARG  32          HH21      ARG  32  15.486   2.930  12.522
  253   2HH2  ARG  32          HH22      ARG  32  16.697   2.100  11.626
  254    H    SER  33           H        SER  33   9.470   2.799   8.139
  255    HA   SER  33           HA       SER  33   7.593   1.661   8.509
  256   1HB   SER  33          HB2       SER  33   8.878   0.878  11.149
  257   2HB   SER  33          HB3       SER  33   7.678  -0.039  10.222
  258    HG   SER  33           HG       SER  33   9.817  -0.793   9.880
  259    H    GLY  34           H        GLY  34   7.514   4.479   9.386
  260   1HA   GLY  34          HA2       GLY  34   5.264   4.334  11.362
  261   2HA   GLY  34          HA3       GLY  34   6.536   5.562  11.412
  262    H    ALA  35           H        ALA  35   5.586   4.632   8.216
  263    HA   ALA  35           HA       ALA  35   4.611   7.230   7.544
  264   1HB   ALA  35          HB1       ALA  35   4.107   6.196   5.365
  265   2HB   ALA  35          HB2       ALA  35   5.705   5.690   5.947
  266   3HB   ALA  35          HB3       ALA  35   4.318   4.578   6.060
  267    HA   PRO  36           HA       PRO  36   0.378   6.717   8.773
  268   1HB   PRO  36          HB2       PRO  36  -0.920   8.634   7.336
  269   2HB   PRO  36          HB3       PRO  36   0.308   9.032   8.576
  270   1HG   PRO  36          HG2       PRO  36   0.711   8.801   5.571
  271   2HG   PRO  36          HG3       PRO  36   1.198  10.150   6.649
  272   1HD   PRO  36          HD2       PRO  36   2.939   8.177   5.939
  273   2HD   PRO  36          HD3       PRO  36   2.966   8.896   7.577
  274    H    ALA  37           H        ALA  37   1.300   5.834   5.558
  275    HA   ALA  37           HA       ALA  37  -1.204   4.407   5.019
  276   1HB   ALA  37          HB1       ALA  37  -1.572   5.597   2.893
  277   2HB   ALA  37          HB2       ALA  37  -1.599   6.760   4.227
  278   3HB   ALA  37          HB3       ALA  37  -0.156   6.630   3.196
  279    H    ALA  38           H        ALA  38  -0.895   3.521   2.611
  280    HA   ALA  38           HA       ALA  38   1.908   2.675   2.110
  281   1HB   ALA  38          HB1       ALA  38   1.120   0.423   1.571
  282   2HB   ALA  38          HB2       ALA  38   0.747   0.821   3.260
  283   3HB   ALA  38          HB3       ALA  38  -0.541   0.864   2.030
  284    H    GLU  39           H        GLU  39   1.171   4.813   0.971
  285    HA   GLU  39           HA       GLU  39  -0.052   4.379  -1.672
  286   1HB   GLU  39          HB2       GLU  39   1.257   6.807  -0.350
  287   2HB   GLU  39          HB3       GLU  39   0.599   6.792  -1.992
  288   1HG   GLU  39          HG2       GLU  39  -1.643   6.174  -1.063
  289   2HG   GLU  39          HG3       GLU  39  -0.990   6.344   0.567
  290    H    SER  40           H        SER  40   1.534   5.471  -3.476
  291    HA   SER  40           HA       SER  40   4.303   4.560  -3.071
  292   1HB   SER  40          HB2       SER  40   2.692   3.698  -5.490
  293   2HB   SER  40          HB3       SER  40   4.352   3.247  -5.078
  294    HG   SER  40           HG       SER  40   1.945   2.518  -3.758
  295    H    LYS  41           H        LYS  41   5.724   5.264  -4.715
  296    HA   LYS  41           HA       LYS  41   5.097   7.718  -6.266
  297   1HB   LYS  41          HB2       LYS  41   5.842   8.269  -3.908
  298   2HB   LYS  41          HB3       LYS  41   7.236   7.229  -4.137
  299   1HG   LYS  41          HG2       LYS  41   7.807   9.000  -6.066
  300   2HG   LYS  41          HG3       LYS  41   6.715  10.024  -5.119
  301   1HD   LYS  41          HD2       LYS  41   8.134   9.665  -3.122
  302   2HD   LYS  41          HD3       LYS  41   9.129   8.525  -4.028
  303   1HE   LYS  41          HE2       LYS  41  10.371  10.498  -4.049
  304   2HE   LYS  41          HE3       LYS  41   9.674  10.360  -5.665
  305   1HZ   LYS  41          HZ1       LYS  41   8.427  12.171  -5.376
  306   2HZ   LYS  41          HZ2       LYS  41   8.236  11.984  -3.711
  307   3HZ   LYS  41          HZ3       LYS  41   9.625  12.577  -4.320
  308    H    GLU  42           H        GLU  42   7.055   8.063  -7.772
  309    HA   GLU  42           HA       GLU  42   8.808   5.712  -8.089
  310   1HB   GLU  42          HB2       GLU  42   7.431   7.259 -10.334
  311   2HB   GLU  42          HB3       GLU  42   8.805   6.182 -10.538
  312   1HG   GLU  42          HG2       GLU  42   6.983   4.916 -11.197
  313   2HG   GLU  42          HG3       GLU  42   7.439   4.296  -9.615
  314    H    ILE  43           H        ILE  43  10.957   6.371  -8.684
  315    HA   ILE  43           HA       ILE  43  11.420   9.308  -8.797
  316    HB   ILE  43           HB       ILE  43  13.485   8.970  -7.466
  317   1HG1  ILE  43          HG12      ILE  43  12.314   6.265  -6.732
  318   2HG1  ILE  43          HG13      ILE  43  13.756   6.520  -7.715
  319   1HG2  ILE  43          HG21      ILE  43  12.375   9.176  -5.348
  320   2HG2  ILE  43          HG22      ILE  43  11.350   9.877  -6.596
  321   3HG2  ILE  43          HG23      ILE  43  10.957   8.267  -5.940
  322   1HD1  ILE  43          HD11      ILE  43  13.456   7.290  -4.776
  323   2HD1  ILE  43          HD12      ILE  43  14.371   5.935  -5.431
  324   3HD1  ILE  43          HD13      ILE  43  14.886   7.593  -5.789
  325    H    VAL  44           H        VAL  44  13.095   9.992  -9.980
  326    HA   VAL  44           HA       VAL  44  14.023   8.112 -12.101
  327    HB   VAL  44           HB       VAL  44  13.769  11.156 -12.013
  328   1HG1  VAL  44          HG11      VAL  44  14.079  11.127 -14.420
  329   2HG1  VAL  44          HG12      VAL  44  15.477  10.375 -13.647
  330   3HG1  VAL  44          HG13      VAL  44  14.241   9.364 -14.425
  331   1HG2  VAL  44          HG21      VAL  44  11.939   9.154 -13.392
  332   2HG2  VAL  44          HG22      VAL  44  11.529  10.121 -11.957
  333   3HG2  VAL  44          HG23      VAL  44  11.839  10.931 -13.489
  334    H    ARG  45           H        ARG  45  16.144   7.517 -11.926
  335    HA   ARG  45           HA       ARG  45  18.118   9.340 -10.594
  336   1HB   ARG  45          HB2       ARG  45  17.935   6.293 -10.441
  337   2HB   ARG  45          HB3       ARG  45  19.229   7.258  -9.756
  338   1HG   ARG  45          HG2       ARG  45  16.324   7.272  -8.809
  339   2HG   ARG  45          HG3       ARG  45  17.646   6.350  -8.128
  340   1HD   ARG  45          HD2       ARG  45  17.611   8.153  -6.684
  341   2HD   ARG  45          HD3       ARG  45  18.838   8.690  -7.831
  342    HE   ARG  45           HE       ARG  45  16.970   9.916  -9.002
  343   1HH1  ARG  45          HH21      ARG  45  16.786   9.493  -5.444
  344   2HH1  ARG  45          HH22      ARG  45  15.366  10.495  -5.330
  345   1HH2  ARG  45          HH11      ARG  45  15.147  11.120  -8.767
  346   2HH2  ARG  45          HH12      ARG  45  14.484  11.474  -7.177
  347    H    GLY  46           H        GLY  46  20.130   9.426 -11.740
  348   1HA   GLY  46          HA2       GLY  46  21.036   7.275 -13.333
  349   2HA   GLY  46          HA3       GLY  46  20.341   8.497 -14.410
  350    H    TYR  47           H        TYR  47  23.231   7.513 -13.583
  351    HA   TYR  47           HA       TYR  47  24.440  10.190 -13.583
  352   1HB   TYR  47          HB2       TYR  47  25.229   8.174 -11.450
  353   2HB   TYR  47          HB3       TYR  47  25.784   9.829 -11.612
  354    HD1  TYR  47           HD1      TYR  47  24.547  11.654 -10.539
  355    HD2  TYR  47           HD2      TYR  47  22.994   7.642 -10.611
  356    HE1  TYR  47           HE1      TYR  47  22.843  12.294  -8.865
  357    HE2  TYR  47           HE2      TYR  47  21.284   8.259  -8.918
  358    HH   TYR  47           HH       TYR  47  20.507   9.942  -7.494
  359    H    LYS  48           H        LYS  48  26.660  10.089 -14.303
  360    HA   LYS  48           HA       LYS  48  27.316   7.900 -15.989
  361   1HB   LYS  48          HB2       LYS  48  29.584   8.912 -16.108
  362   2HB   LYS  48          HB3       LYS  48  28.271  10.028 -16.473
  363   1HG   LYS  48          HG2       LYS  48  28.478  11.129 -14.350
  364   2HG   LYS  48          HG3       LYS  48  29.595   9.908 -13.724
  365   1HD   LYS  48          HD2       LYS  48  31.346  10.568 -15.173
  366   2HD   LYS  48          HD3       LYS  48  30.290  11.548 -16.186
  367   1HE   LYS  48          HE2       LYS  48  30.815  12.169 -13.243
  368   2HE   LYS  48          HE3       LYS  48  31.820  12.792 -14.557
  369   1HZ   LYS  48          HZ1       LYS  48  30.157  14.397 -13.999
  370   2HZ   LYS  48          HZ2       LYS  48  29.840  13.827 -15.508
  371   3HZ   LYS  48          HZ3       LYS  48  28.919  13.349 -14.233
  372    H    TRP  49           H        TRP  49  28.008   8.336 -12.509
  373    HA   TRP  49           HA       TRP  49  30.040   6.327 -12.459
  374   1HB   TRP  49          HB2       TRP  49  29.586   6.231 -10.006
  375   2HB   TRP  49          HB3       TRP  49  30.083   7.765 -10.670
  376    HD1  TRP  49           HD1      TRP  49  28.830   9.788  -9.894
  377    HE1  TRP  49           HE1      TRP  49  26.717  10.280  -8.558
  378    HE3  TRP  49           HE3      TRP  49  26.869   5.050  -9.694
  379    HZ2  TRP  49           HZ2      TRP  49  24.441   8.801  -7.514
  380    HZ3  TRP  49           HZ3      TRP  49  24.682   4.658  -8.650
  381    HH2  TRP  49           HH2      TRP  49  23.436   6.528  -7.564
  382    H    ALA  50           H        ALA  50  26.498   6.048 -12.574
  383    HA   ALA  50           HA       ALA  50  26.676   3.155 -12.051
  384   1HB   ALA  50          HB1       ALA  50  24.742   4.188 -11.160
  385   2HB   ALA  50          HB2       ALA  50  24.325   4.944 -12.730
  386   3HB   ALA  50          HB3       ALA  50  24.273   3.172 -12.527
  387    H    GLU  51           H        GLU  51  28.257   2.835 -13.752
  388    HA   GLU  51           HA       GLU  51  27.708   3.294 -16.513
  389   1HB   GLU  51          HB2       GLU  51  29.363   1.118 -15.153
  390   2HB   GLU  51          HB3       GLU  51  29.378   1.468 -16.887
  391   1HG   GLU  51          HG2       GLU  51  30.127   3.802 -16.378
  392   2HG   GLU  51          HG3       GLU  51  30.218   3.375 -14.665
  393    H    TYR  52           H        TYR  52  26.162   1.169 -14.289
  394    HA   TYR  52           HA       TYR  52  24.661  -0.126 -16.450
  395   1HB   TYR  52          HB2       TYR  52  24.646  -2.195 -14.839
  396   2HB   TYR  52          HB3       TYR  52  25.880  -1.980 -16.064
  397    HD1  TYR  52           HD1      TYR  52  25.278  -2.368 -12.507
  398    HD2  TYR  52           HD2      TYR  52  28.122  -1.057 -15.448
  399    HE1  TYR  52           HE1      TYR  52  27.084  -2.599 -10.829
  400    HE2  TYR  52           HE2      TYR  52  29.965  -1.275 -13.778
  401    HH   TYR  52           HH       TYR  52  29.366  -2.374 -10.404
  402    H    HIS  53           H        HIS  53  22.519  -0.352 -15.927
  403    HA   HIS  53           HA       HIS  53  21.287   1.397 -14.126
  404   1HB   HIS  53          HB2       HIS  53  19.231   0.009 -14.648
  405   2HB   HIS  53          HB3       HIS  53  20.117   0.619 -16.042
  406    HD1  HIS  53           HD1      HIS  53  19.677  -2.759 -14.137
  407    HD2  HIS  53           HD2      HIS  53  21.057  -1.149 -17.777
  408    HE1  HIS  53           HE1      HIS  53  20.406  -4.723 -15.568
  409    H    ALA  54           H        ALA  54  22.308  -1.979 -13.587
  410    HA   ALA  54           HA       ALA  54  20.759  -2.388 -11.232
  411   1HB   ALA  54          HB1       ALA  54  21.783  -4.242 -12.488
  412   2HB   ALA  54          HB2       ALA  54  23.409  -3.664 -12.042
  413   3HB   ALA  54          HB3       ALA  54  22.298  -4.255 -10.793
  414    H    ASP  55           H        ASP  55  23.752  -0.550 -11.741
  415    HA   ASP  55           HA       ASP  55  24.630  -0.650  -9.004
  416   1HB   ASP  55          HB2       ASP  55  26.015   0.093 -11.038
  417   2HB   ASP  55          HB3       ASP  55  25.134   1.598 -10.983
  418    H    ILE  56           H        ILE  56  22.653   1.719 -10.872
  419    HA   ILE  56           HA       ILE  56  22.217   3.411  -8.589
  420    HB   ILE  56           HB       ILE  56  20.101   4.052 -10.152
  421   1HG1  ILE  56          HG12      ILE  56  22.062   2.840 -12.112
  422   2HG1  ILE  56          HG13      ILE  56  20.313   2.628 -11.967
  423   1HG2  ILE  56          HG21      ILE  56  21.350   5.972 -10.823
  424   2HG2  ILE  56          HG22      ILE  56  21.765   5.520  -9.178
  425   3HG2  ILE  56          HG23      ILE  56  22.887   5.142 -10.498
  426   1HD1  ILE  56          HD11      ILE  56  20.078   5.030 -12.722
  427   2HD1  ILE  56          HD12      ILE  56  21.841   5.047 -13.000
  428   3HD1  ILE  56          HD13      ILE  56  20.816   3.934 -13.914
  429    H    TYR  57           H        TYR  57  20.330   0.641  -9.988
  430    HA   TYR  57           HA       TYR  57  18.149   1.071  -8.190
  431   1HB   TYR  57          HB2       TYR  57  17.840  -0.471 -10.026
  432   2HB   TYR  57          HB3       TYR  57  19.140  -1.510  -9.440
  433    HD1  TYR  57           HD1      TYR  57  18.456  -3.448  -8.297
  434    HD2  TYR  57           HD2      TYR  57  16.016   0.099  -7.994
  435    HE1  TYR  57           HE1      TYR  57  16.928  -4.632  -6.753
  436    HE2  TYR  57           HE2      TYR  57  14.510  -1.060  -6.422
  437    HH   TYR  57           HH       TYR  57  14.091  -3.050  -5.219
  438    H    ASP  58           H        ASP  58  21.156  -0.962  -7.791
  439    HA   ASP  58           HA       ASP  58  20.463  -1.910  -5.222
  440   1HB   ASP  58          HB2       ASP  58  22.249  -2.907  -6.537
  441   2HB   ASP  58          HB3       ASP  58  23.193  -1.415  -6.462
  442    H    LYS  59           H        LYS  59  22.388   0.979  -6.163
  443    HA   LYS  59           HA       LYS  59  23.013   1.872  -3.541
  444   1HB   LYS  59          HB2       LYS  59  24.178   2.683  -5.448
  445   2HB   LYS  59          HB3       LYS  59  22.712   3.285  -6.217
  446   1HG   LYS  59          HG2       LYS  59  22.667   5.223  -5.045
  447   2HG   LYS  59          HG3       LYS  59  23.286   4.492  -3.546
  448   1HD   LYS  59          HD2       LYS  59  25.543   4.448  -4.380
  449   2HD   LYS  59          HD3       LYS  59  25.022   4.957  -5.992
  450   1HE   LYS  59          HE2       LYS  59  24.181   7.112  -4.995
  451   2HE   LYS  59          HE3       LYS  59  24.828   6.606  -3.429
  452   1HZ   LYS  59          HZ1       LYS  59  26.430   7.046  -5.884
  453   2HZ   LYS  59          HZ2       LYS  59  26.367   8.049  -4.597
  454   3HZ   LYS  59          HZ3       LYS  59  27.041   6.575  -4.437
  455    H    VAL  60           H        VAL  60  20.245   2.804  -5.689
  456    HA   VAL  60           HA       VAL  60  19.319   4.592  -3.616
  457    HB   VAL  60           HB       VAL  60  18.175   3.987  -6.337
  458   1HG1  VAL  60          HG11      VAL  60  16.899   6.077  -5.983
  459   2HG1  VAL  60          HG12      VAL  60  16.450   4.879  -4.777
  460   3HG1  VAL  60          HG13      VAL  60  17.535   6.203  -4.325
  461   1HG2  VAL  60          HG21      VAL  60  19.288   6.228  -6.807
  462   2HG2  VAL  60          HG22      VAL  60  19.962   6.205  -5.181
  463   3HG2  VAL  60          HG23      VAL  60  20.451   4.999  -6.386
  464    H    SER  61           H        SER  61  18.275   1.292  -4.655
  465    HA   SER  61           HA       SER  61  15.984   1.332  -2.921
  466   1HB   SER  61          HB2       SER  61  16.172  -1.136  -2.922
  467   2HB   SER  61          HB3       SER  61  16.149  -0.416  -4.537
  468    HG   SER  61           HG       SER  61  18.301  -0.746  -4.745
  469    H    GLY  62           H        GLY  62  19.478   0.730  -2.333
  470   1HA   GLY  62          HA2       GLY  62  19.312  -0.008   0.391
  471   2HA   GLY  62          HA3       GLY  62  20.679   0.800  -0.402
  472    H    ASP  63           H        ASP  63  19.800   3.302  -1.059
  473    HA   ASP  63           HA       ASP  63  19.756   4.654   1.428
  474   1HB   ASP  63          HB2       ASP  63  20.555   5.675  -0.685
  475   2HB   ASP  63          HB3       ASP  63  18.890   5.758  -1.270
  476    H    MET  64           H        MET  64  17.074   3.980  -0.880
  477    HA   MET  64           HA       MET  64  15.012   5.248   0.614
  478   1HB   MET  64          HB2       MET  64  14.947   2.828  -1.234
  479   2HB   MET  64          HB3       MET  64  13.535   3.621  -0.590
  480   1HG   MET  64          HG2       MET  64  15.530   5.010  -2.397
  481   2HG   MET  64          HG3       MET  64  13.991   4.321  -2.886
  482   1HE   MET  64          HE1       MET  64  15.721   7.491  -2.288
  483   2HE   MET  64          HE2       MET  64  14.802   8.385  -1.055
  484   3HE   MET  64          HE3       MET  64  15.745   6.956  -0.593
  485    H    GLN  65           H        GLN  65  16.239   1.824   0.828
  486    HA   GLN  65           HA       GLN  65  14.367   1.122   2.844
  487   1HB   GLN  65          HB2       GLN  65  17.024   0.052   1.837
  488   2HB   GLN  65          HB3       GLN  65  16.356  -0.649   3.304
  489   1HG   GLN  65          HG2       GLN  65  14.704  -0.493   0.758
  490   2HG   GLN  65          HG3       GLN  65  15.850  -1.798   1.047
  491   1HE2  GLN  65          HE22      GLN  65  12.760  -0.438   2.030
  492   2HE2  GLN  65          HE21      GLN  65  12.298  -1.743   3.117
  493    H    LYS  66           H        LYS  66  17.619   2.644   3.090
  494    HA   LYS  66           HA       LYS  66  17.803   2.542   5.950
  495   1HB   LYS  66          HB2       LYS  66  19.709   3.054   4.579
  496   2HB   LYS  66          HB3       LYS  66  18.874   4.381   3.803
  497   1HG   LYS  66          HG2       LYS  66  18.875   5.604   6.050
  498   2HG   LYS  66          HG3       LYS  66  19.897   4.288   6.658
  499   1HD   LYS  66          HD2       LYS  66  21.351   6.085   5.966
  500   2HD   LYS  66          HD3       LYS  66  21.507   4.781   4.769
  501   1HE   LYS  66          HE2       LYS  66  19.872   5.996   3.291
  502   2HE   LYS  66          HE3       LYS  66  19.788   7.300   4.473
  503   1HZ   LYS  66          HZ1       LYS  66  21.290   7.596   2.532
  504   2HZ   LYS  66          HZ2       LYS  66  22.022   7.874   3.989
  505   3HZ   LYS  66          HZ3       LYS  66  22.312   6.489   3.157
  506    H    GLN  67           H        GLN  67  16.278   4.959   3.703
  507    HA   GLN  67           HA       GLN  67  15.184   6.568   5.827
  508   1HB   GLN  67          HB2       GLN  67  14.185   6.201   2.971
  509   2HB   GLN  67          HB3       GLN  67  13.620   7.405   4.130
  510   1HG   GLN  67          HG2       GLN  67  16.018   8.254   4.297
  511   2HG   GLN  67          HG3       GLN  67  16.432   7.166   2.978
  512   1HE2  GLN  67          HE22      GLN  67  16.790   8.470   1.160
  513   2HE2  GLN  67          HE21      GLN  67  15.720   9.780   0.707
  514    H    GLY  68           H        GLY  68  14.057   3.628   4.236
  515   1HA   GLY  68          HA2       GLY  68  13.066   2.058   5.960
  516   2HA   GLY  68          HA3       GLY  68  11.842   3.302   6.212
  517    H    CYS  69           H        CYS  69  12.556   3.449   2.967
  518    HA   CYS  69           HA       CYS  69   9.846   2.571   2.331
  519   1HB   CYS  69          HB2       CYS  69  12.131   3.898   0.839
  520   2HB   CYS  69          HB3       CYS  69  10.600   3.474   0.063
  521    HG   CYS  69           HG       CYS  69  10.671   6.035   0.615
  522    H    ASP  70           H        ASP  70   9.288   0.734   1.224
  523    HA   ASP  70           HA       ASP  70  11.380  -1.173   0.321
  524   1HB   ASP  70          HB2       ASP  70   9.455  -2.100   1.538
  525   2HB   ASP  70          HB3       ASP  70   8.340  -1.345   0.393
  526    H    CYS  71           H        CYS  71  11.750  -1.522  -1.915
  527    HA   CYS  71           HA       CYS  71  10.331   0.241  -3.819
  528   1HB   CYS  71          HB2       CYS  71  13.358   0.241  -3.371
  529   2HB   CYS  71          HB3       CYS  71  12.467   1.181  -4.580
  530    HG   CYS  71           HG       CYS  71  12.297   1.333  -1.286
  531    H    GLU  72           H        GLU  72  11.030  -0.126  -6.115
  532    HA   GLU  72           HA       GLU  72  12.458  -2.609  -6.751
  533   1HB   GLU  72          HB2       GLU  72  10.235  -3.460  -6.250
  534   2HB   GLU  72          HB3       GLU  72   9.466  -2.189  -7.212
  535   1HG   GLU  72          HG2       GLU  72  10.362  -3.080  -9.257
  536   2HG   GLU  72          HG3       GLU  72  11.391  -4.224  -8.384
  537    H    CYS  73           H        CYS  73  13.483  -2.279  -8.760
  538    HA   CYS  73           HA       CYS  73  13.108   0.183 -10.249
  539   1HB   CYS  73          HB2       CYS  73  14.555  -1.124 -11.945
  540   2HB   CYS  73          HB3       CYS  73  15.295  -0.647 -10.423
  541    HG   CYS  73           HG       CYS  73  15.988  -3.111 -11.333
  542    H    LEU  74           H        LEU  74  11.312   0.529 -11.440
  543    HA   LEU  74           HA       LEU  74   9.522  -1.608 -12.311
  544   1HB   LEU  74          HB2       LEU  74   9.707   1.351 -13.048
  545   2HB   LEU  74          HB3       LEU  74   8.434   0.260 -13.582
  546    HG   LEU  74           HG       LEU  74   8.987   1.082 -10.703
  547   1HD1  LEU  74          HD11      LEU  74   6.679   1.725 -12.591
  548   2HD1  LEU  74          HD12      LEU  74   6.820   2.244 -10.899
  549   3HD1  LEU  74          HD13      LEU  74   7.973   2.841 -12.103
  550   1HD2  LEU  74          HD21      LEU  74   6.812  -0.091 -10.207
  551   2HD2  LEU  74          HD22      LEU  74   6.852  -0.781 -11.841
  552   3HD2  LEU  74          HD23      LEU  74   8.114  -1.190 -10.652
  553    H    GLY  75           H        GLY  75  12.239   0.210 -13.629
  554   1HA   GLY  75          HA2       GLY  75  13.087  -1.622 -15.510
  555   2HA   GLY  75          HA3       GLY  75  12.002  -0.518 -16.376
  556    H    GLY  76           H        GLY  76  14.307  -0.063 -17.385
  557   1HA   GLY  76          HA2       GLY  76  14.949   2.594 -16.499
  558   2HA   GLY  76          HA3       GLY  76  16.270   1.461 -16.154
  559    H    GLY  77           H        GLY  77  17.453   2.815 -17.743
  560   1HA   GLY  77          HA2       GLY  77  17.605   1.803 -20.373
  561   2HA   GLY  77          HA3       GLY  77  16.526   3.211 -20.386
  562    H    ARG  78           H        ARG  78  17.912   4.586 -21.481
  563    HA   ARG  78           HA       ARG  78  20.367   5.463 -20.067
  564   1HB   ARG  78          HB2       ARG  78  20.987   3.820 -21.791
  565   2HB   ARG  78          HB3       ARG  78  20.097   4.737 -23.015
  566   1HG   ARG  78          HG2       ARG  78  21.698   6.558 -22.914
  567   2HG   ARG  78          HG3       ARG  78  22.465   5.877 -21.468
  568   1HD   ARG  78          HD2       ARG  78  23.814   5.454 -23.503
  569   2HD   ARG  78          HD3       ARG  78  23.298   3.973 -22.702
  570    HE   ARG  78           HE       ARG  78  21.886   3.423 -24.465
  571   1HH1  ARG  78          HH21      ARG  78  23.107   6.731 -25.065
  572   2HH1  ARG  78          HH22      ARG  78  22.414   6.775 -26.648
  573   1HH2  ARG  78          HH11      ARG  78  21.177   3.459 -26.436
  574   2HH2  ARG  78          HH12      ARG  78  21.397   4.814 -27.547
  575    H    ILE  79           H        ILE  79  20.982   7.610 -20.623
  576    HA   ILE  79           HA       ILE  79  18.814   9.297 -21.733
  577    HB   ILE  79           HB       ILE  79  20.419   9.534 -19.155
  578   1HG1  ILE  79          HG12      ILE  79  17.452   9.710 -19.857
  579   2HG1  ILE  79          HG13      ILE  79  18.244   8.349 -19.082
  580   1HG2  ILE  79          HG21      ILE  79  19.492  11.886 -18.957
  581   2HG2  ILE  79          HG22      ILE  79  20.594  11.746 -20.309
  582   3HG2  ILE  79          HG23      ILE  79  18.838  11.745 -20.596
  583   1HD1  ILE  79          HD11      ILE  79  17.721  11.092 -17.874
  584   2HD1  ILE  79          HD12      ILE  79  17.058   9.535 -17.385
  585   3HD1  ILE  79          HD13      ILE  79  18.782   9.874 -17.122
  586    H    SER  80           H        SER  80  19.543  10.934 -23.015
  587    HA   SER  80           HA       SER  80  22.455  11.206 -23.521
  588   1HB   SER  80          HB2       SER  80  20.304  10.750 -25.636
  589   2HB   SER  80          HB3       SER  80  22.013  11.096 -25.948
  590    HG   SER  80           HG       SER  80  21.361   8.844 -26.032
  591    H    HIS  81           H        HIS  81  23.018  13.254 -24.033
  592    HA   HIS  81           HA       HIS  81  20.936  15.384 -24.132
  593   1HB   HIS  81          HB2       HIS  81  22.424  14.994 -22.033
  594   2HB   HIS  81          HB3       HIS  81  23.757  15.586 -23.014
  595    HD1  HIS  81           HD1      HIS  81  22.377  18.137 -24.317
  596    HD2  HIS  81           HD2      HIS  81  22.155  16.904 -20.306
  597    HE1  HIS  81           HE1      HIS  81  21.792  20.224 -22.955
  598    H    GLN  82           H        GLN  82  22.113  13.862 -26.379
  599    HA   GLN  82           HA       GLN  82  23.504  16.014 -27.894
  600   1HB   GLN  82          HB2       GLN  82  24.190  13.041 -27.828
  601   2HB   GLN  82          HB3       GLN  82  24.904  14.215 -28.933
  602   1HG   GLN  82          HG2       GLN  82  25.180  14.375 -25.892
  603   2HG   GLN  82          HG3       GLN  82  26.327  13.586 -26.958
  604   1HE2  GLN  82          HE22      GLN  82  24.900  16.802 -26.159
  605   2HE2  GLN  82          HE21      GLN  82  26.235  17.717 -26.828
  606    H    SER  83           H        SER  83  20.704  15.313 -27.689
  607    HA   SER  83           HA       SER  83  19.678  13.676 -29.673
  608   1HB   SER  83          HB2       SER  83  18.395  16.210 -28.610
  609   2HB   SER  83          HB3       SER  83  17.616  14.660 -28.967
  610    HG   SER  83           HG       SER  83  18.089  15.333 -26.697
  611    H    GLN  84           H        GLN  84  21.620  16.117 -30.533
  612    HA   GLN  84           HA       GLN  84  21.862  17.696 -32.074
  613   1HB   GLN  84          HB2       GLN  84  19.885  16.185 -33.812
  614   2HB   GLN  84          HB3       GLN  84  21.166  17.282 -34.309
  615   1HG   GLN  84          HG2       GLN  84  22.348  15.399 -34.677
  616   2HG   GLN  84          HG3       GLN  84  22.694  15.467 -32.958
  617   1HE2  GLN  84          HE22      GLN  84  22.012  13.650 -31.693
  618   2HE2  GLN  84          HE21      GLN  84  21.026  12.362 -32.348
  619    H    ASP  85           H        ASP  85  19.885  18.042 -30.008
  620    HA   ASP  85           HA       ASP  85  18.516  20.445 -30.790
  621   1HB   ASP  85          HB2       ASP  85  16.889  18.722 -31.604
  622   2HB   ASP  85          HB3       ASP  85  16.929  17.941 -30.022
  623    H    LYS  86           H        LYS  86  17.697  21.439 -28.707
  624    HA   LYS  86           HA       LYS  86  19.527  20.985 -26.564
  625   1HB   LYS  86          HB2       LYS  86  16.913  22.550 -26.669
  626   2HB   LYS  86          HB3       LYS  86  18.052  22.594 -25.318
  627   1HG   LYS  86          HG2       LYS  86  19.845  23.398 -26.854
  628   2HG   LYS  86          HG3       LYS  86  18.674  23.473 -28.175
  629   1HD   LYS  86          HD2       LYS  86  18.498  25.047 -25.567
  630   2HD   LYS  86          HD3       LYS  86  19.103  25.670 -27.109
  631   1HE   LYS  86          HE2       LYS  86  16.878  25.200 -28.154
  632   2HE   LYS  86          HE3       LYS  86  16.269  24.666 -26.582
  633   1HZ   LYS  86          HZ1       LYS  86  17.253  27.394 -27.195
  634   2HZ   LYS  86          HZ2       LYS  86  15.693  26.966 -27.021
  635   3HZ   LYS  86          HZ3       LYS  86  16.698  26.906 -25.737
  636    H    LYS  87           H        LYS  87  16.305  19.561 -27.163
  637    HA   LYS  87           HA       LYS  87  15.736  19.055 -24.402
  638   1HB   LYS  87          HB2       LYS  87  14.683  17.699 -26.917
  639   2HB   LYS  87          HB3       LYS  87  14.044  17.438 -25.288
  640   1HG   LYS  87          HG2       LYS  87  13.543  19.879 -25.092
  641   2HG   LYS  87          HG3       LYS  87  14.144  20.122 -26.730
  642   1HD   LYS  87          HD2       LYS  87  12.339  18.395 -27.452
  643   2HD   LYS  87          HD3       LYS  87  11.647  18.674 -25.831
  644   1HE   LYS  87          HE2       LYS  87  11.707  21.172 -26.363
  645   2HE   LYS  87          HE3       LYS  87  12.196  20.747 -28.009
  646   1HZ   LYS  87          HZ1       LYS  87   9.641  20.112 -26.668
  647   2HZ   LYS  87          HZ2       LYS  87   9.858  21.073 -27.967
  648   3HZ   LYS  87          HZ3       LYS  87  10.064  19.461 -28.133
  649    H    ILE  88           H        ILE  88  16.596  17.672 -23.035
  650    HA   ILE  88           HA       ILE  88  18.492  15.620 -23.818
  651    HB   ILE  88           HB       ILE  88  17.079  15.739 -21.130
  652   1HG1  ILE  88          HG12      ILE  88  19.288  17.078 -20.477
  653   2HG1  ILE  88          HG13      ILE  88  19.215  17.635 -22.142
  654   1HG2  ILE  88          HG21      ILE  88  18.529  13.808 -21.610
  655   2HG2  ILE  88          HG22      ILE  88  19.891  14.910 -21.903
  656   3HG2  ILE  88          HG23      ILE  88  19.153  14.794 -20.293
  657   1HD1  ILE  88          HD11      ILE  88  16.952  18.626 -21.652
  658   2HD1  ILE  88          HD12      ILE  88  17.047  17.961 -20.007
  659   3HD1  ILE  88          HD13      ILE  88  18.186  19.209 -20.534
  660    H    HIS  89           H        HIS  89  18.027  13.294 -23.745
  661    HA   HIS  89           HA       HIS  89  15.148  12.693 -24.243
  662   1HB   HIS  89          HB2       HIS  89  16.658  13.043 -26.272
  663   2HB   HIS  89          HB3       HIS  89  17.506  11.574 -25.785
  664    HD1  HIS  89           HD1      HIS  89  13.978  12.747 -26.887
  665    HD2  HIS  89           HD2      HIS  89  16.361   9.290 -26.528
  666    HE1  HIS  89           HE1      HIS  89  12.724  10.871 -28.090
  667    H    VAL  90           H        VAL  90  14.442  10.631 -23.665
  668    HA   VAL  90           HA       VAL  90  16.276   8.974 -21.988
  669    HB   VAL  90           HB       VAL  90  13.318   9.460 -21.451
  670   1HG1  VAL  90          HG11      VAL  90  13.810   8.529 -19.259
  671   2HG1  VAL  90          HG12      VAL  90  14.424   7.421 -20.497
  672   3HG1  VAL  90          HG13      VAL  90  15.546   8.460 -19.618
  673   1HG2  VAL  90          HG21      VAL  90  13.986  10.959 -19.569
  674   2HG2  VAL  90          HG22      VAL  90  15.635  11.009 -20.227
  675   3HG2  VAL  90          HG23      VAL  90  14.273  11.660 -21.161
  676    H    TYR  91           H        TYR  91  16.373   6.879 -22.776
  677    HA   TYR  91           HA       TYR  91  14.133   5.617 -24.109
  678   1HB   TYR  91          HB2       TYR  91  15.036   5.462 -26.309
  679   2HB   TYR  91          HB3       TYR  91  14.873   7.133 -25.895
  680    HD1  TYR  91           HD1      TYR  91  17.871   6.430 -24.217
  681    HD2  TYR  91           HD2      TYR  91  16.261   6.627 -28.217
  682    HE1  TYR  91           HE1      TYR  91  20.083   6.985 -25.062
  683    HE2  TYR  91           HE2      TYR  91  18.511   7.167 -29.088
  684    HH   TYR  91           HH       TYR  91  20.730   7.641 -28.550
  685    H    GLY  92           H        GLY  92  15.553   3.631 -25.518
  686   1HA   GLY  92          HA2       GLY  92  16.914   1.802 -25.280
  687   2HA   GLY  92          HA3       GLY  92  17.772   2.627 -23.966
  688    H    TYR  93           H        TYR  93  17.740   0.348 -23.108
  689    HA   TYR  93           HA       TYR  93  15.482   0.027 -21.262
  690   1HB   TYR  93          HB2       TYR  93  15.064  -2.304 -21.900
  691   2HB   TYR  93          HB3       TYR  93  14.609  -1.182 -23.165
  692    HD1  TYR  93           HD1      TYR  93  15.946  -1.030 -25.281
  693    HD2  TYR  93           HD2      TYR  93  16.759  -4.000 -22.256
  694    HE1  TYR  93           HE1      TYR  93  17.226  -2.353 -26.931
  695    HE2  TYR  93           HE2      TYR  93  18.044  -5.329 -23.893
  696    HH   TYR  93           HH       TYR  93  18.792  -5.487 -26.092
  697    H    SER  94           H        SER  94  16.048  -1.079 -19.387
  698    HA   SER  94           HA       SER  94  18.834  -1.699 -18.891
  699   1HB   SER  94          HB2       SER  94  16.247  -2.356 -17.418
  700   2HB   SER  94          HB3       SER  94  17.867  -2.649 -16.765
  701    HG   SER  94           HG       SER  94  18.254  -0.406 -16.903
  702    H    MET  95           H        MET  95  19.812  -3.764 -18.914
  703    HA   MET  95           HA       MET  95  18.657  -5.775 -20.629
  704   1HB   MET  95          HB2       MET  95  21.071  -5.353 -20.390
  705   2HB   MET  95          HB3       MET  95  21.038  -5.875 -18.711
  706   1HG   MET  95          HG2       MET  95  20.270  -7.630 -21.078
  707   2HG   MET  95          HG3       MET  95  21.900  -7.529 -20.436
  708   1HE   MET  95          HE1       MET  95  21.533  -7.550 -17.228
  709   2HE   MET  95          HE2       MET  95  21.680  -9.298 -16.967
  710   3HE   MET  95          HE3       MET  95  22.727  -8.491 -18.155
  711    H    ALA  96           H        ALA  96  19.197  -5.556 -17.080
  712    HA   ALA  96           HA       ALA  96  17.895  -8.089 -16.588
  713   1HB   ALA  96          HB1       ALA  96  18.353  -7.614 -14.240
  714   2HB   ALA  96          HB2       ALA  96  19.784  -7.231 -15.211
  715   3HB   ALA  96          HB3       ALA  96  18.729  -5.925 -14.604
  716    H    TYR  97           H        TYR  97  16.740  -4.756 -16.651
  717    HA   TYR  97           HA       TYR  97  14.265  -5.563 -15.194
  718   1HB   TYR  97          HB2       TYR  97  15.297  -2.743 -15.446
  719   2HB   TYR  97          HB3       TYR  97  14.121  -3.384 -14.318
  720    HD1  TYR  97           HD1      TYR  97  16.899  -1.764 -14.015
  721    HD2  TYR  97           HD2      TYR  97  15.582  -5.805 -13.245
  722    HE1  TYR  97           HE1      TYR  97  18.611  -1.989 -12.233
  723    HE2  TYR  97           HE2      TYR  97  17.339  -6.064 -11.539
  724    HH   TYR  97           HH       TYR  97  19.096  -5.060 -10.415
  725    H    GLY  98           H        GLY  98  15.263  -4.754 -18.361
  726   1HA   GLY  98          HA2       GLY  98  14.026  -4.408 -20.244
  727   2HA   GLY  98          HA3       GLY  98  12.539  -4.495 -19.292
  728    HA   PRO  99           HA       PRO  99  13.370  -0.030 -20.547
  729   1HB   PRO  99          HB2       PRO  99  11.077   0.394 -22.004
  730   2HB   PRO  99          HB3       PRO  99  12.593  -0.221 -22.715
  731   1HG   PRO  99          HG2       PRO  99  10.160  -1.793 -21.843
  732   2HG   PRO  99          HG3       PRO  99  11.129  -1.982 -23.337
  733   1HD   PRO  99          HD2       PRO  99  11.451  -3.583 -21.133
  734   2HD   PRO  99          HD3       PRO  99  12.818  -3.152 -22.200
  735    H    ALA 100           H        ALA 100  12.633   1.535 -19.205
  736    HA   ALA 100           HA       ALA 100  10.478   1.045 -17.270
  737   1HB   ALA 100          HB1       ALA 100  12.447   2.417 -16.635
  738   2HB   ALA 100          HB2       ALA 100  12.171   3.447 -18.050
  739   3HB   ALA 100          HB3       ALA 100  11.028   3.455 -16.689
  740    H    GLN 101           H        GLN 101   8.772   2.806 -17.077
  741    HA   GLN 101           HA       GLN 101   7.533   3.480 -19.681
  742   1HB   GLN 101          HB2       GLN 101   6.723   4.049 -16.791
  743   2HB   GLN 101          HB3       GLN 101   5.833   4.610 -18.211
  744   1HG   GLN 101          HG2       GLN 101   6.254   1.736 -17.345
  745   2HG   GLN 101          HG3       GLN 101   4.767   2.699 -17.242
  746   1HE2  GLN 101          HE22      GLN 101   3.813   3.480 -19.383
  747   2HE2  GLN 101          HE21      GLN 101   3.996   2.445 -20.774
  748    H    HIS 102           H        HIS 102   9.452   4.718 -20.380
  749    HA   HIS 102           HA       HIS 102  10.594   6.791 -18.911
  750   1HB   HIS 102          HB2       HIS 102  10.307   6.659 -21.924
  751   2HB   HIS 102          HB3       HIS 102  11.495   7.604 -21.035
  752    HD1  HIS 102           HD1      HIS 102  11.122   4.180 -22.527
  753    HD2  HIS 102           HD2      HIS 102  13.057   5.965 -19.255
  754    HE1  HIS 102           HE1      HIS 102  12.826   2.489 -21.653
  755    H    ALA 103           H        ALA 103   7.462   6.823 -20.407
  756    HA   ALA 103           HA       ALA 103   6.888   9.565 -20.635
  757   1HB   ALA 103          HB1       ALA 103   5.350   7.751 -21.306
  758   2HB   ALA 103          HB2       ALA 103   5.171   7.240 -19.610
  759   3HB   ALA 103          HB3       ALA 103   4.556   8.823 -20.140
  760    H    ILE 104           H        ILE 104   7.086   7.477 -17.715
  761    HA   ILE 104           HA       ILE 104   5.994   9.364 -15.835
  762    HB   ILE 104           HB       ILE 104   8.022   7.123 -15.420
  763   1HG1  ILE 104          HG12      ILE 104   5.902   6.276 -16.457
  764   2HG1  ILE 104          HG13      ILE 104   6.321   5.585 -14.902
  765   1HG2  ILE 104          HG21      ILE 104   8.042   8.527 -13.500
  766   2HG2  ILE 104          HG22      ILE 104   6.270   8.610 -13.432
  767   3HG2  ILE 104          HG23      ILE 104   7.116   7.087 -13.070
  768   1HD1  ILE 104          HD11      ILE 104   3.914   6.017 -15.163
  769   2HD1  ILE 104          HD12      ILE 104   4.609   6.879 -13.781
  770   3HD1  ILE 104          HD13      ILE 104   4.237   7.765 -15.289
  771    H    SER 105           H        SER 105   9.337   8.468 -16.871
  772    HA   SER 105           HA       SER 105  10.746  10.233 -15.283
  773   1HB   SER 105          HB2       SER 105  11.474   9.379 -18.111
  774   2HB   SER 105          HB3       SER 105  12.564   9.843 -16.814
  775    HG   SER 105           HG       SER 105  12.303   7.548 -17.089
  776    H    THR 106           H        THR 106   9.627  10.775 -18.703
  777    HA   THR 106           HA       THR 106  10.743  13.377 -18.797
  778    HB   THR 106           HB       THR 106   9.166  13.669 -20.776
  779    HG1  THR 106           HG1      THR 106   8.042  11.883 -21.434
  780   1HG2  THR 106          HG21      THR 106  11.512  12.854 -20.935
  781   2HG2  THR 106          HG22      THR 106  10.940  11.186 -20.725
  782   3HG2  THR 106          HG23      THR 106  10.451  12.126 -22.154
  783    H    GLU 107           H        GLU 107   7.376  12.362 -17.868
  784    HA   GLU 107           HA       GLU 107   6.445  15.027 -17.574
  785   1HB   GLU 107          HB2       GLU 107   5.629  12.405 -16.262
  786   2HB   GLU 107          HB3       GLU 107   4.855  13.942 -15.856
  787   1HG   GLU 107          HG2       GLU 107   4.283  14.309 -18.241
  788   2HG   GLU 107          HG3       GLU 107   4.996  12.756 -18.660
  789    H    LYS 108           H        LYS 108   8.086  12.864 -15.194
  790    HA   LYS 108           HA       LYS 108   7.985  14.769 -13.046
  791   1HB   LYS 108          HB2       LYS 108   9.782  12.375 -13.614
  792   2HB   LYS 108          HB3       LYS 108   9.886  13.348 -12.137
  793   1HG   LYS 108          HG2       LYS 108   7.594  12.869 -11.541
  794   2HG   LYS 108          HG3       LYS 108   7.338  11.953 -13.027
  795   1HD   LYS 108          HD2       LYS 108   8.923  10.261 -12.379
  796   2HD   LYS 108          HD3       LYS 108   9.474  11.187 -10.978
  797   1HE   LYS 108          HE2       LYS 108   6.544  10.463 -11.266
  798   2HE   LYS 108          HE3       LYS 108   7.690   9.256 -10.666
  799   1HZ   LYS 108          HZ1       LYS 108   6.533  10.835  -8.985
  800   2HZ   LYS 108          HZ2       LYS 108   8.122  10.454  -8.795
  801   3HZ   LYS 108          HZ3       LYS 108   7.734  11.897  -9.404
  802    H    ILE 109           H        ILE 109  10.535  14.113 -15.518
  803    HA   ILE 109           HA       ILE 109  12.368  16.041 -14.514
  804    HB   ILE 109           HB       ILE 109  11.968  14.740 -17.229
  805   1HG1  ILE 109          HG12      ILE 109  14.317  14.505 -15.288
  806   2HG1  ILE 109          HG13      ILE 109  12.891  13.482 -15.125
  807   1HG2  ILE 109          HG21      ILE 109  14.234  15.682 -17.831
  808   2HG2  ILE 109          HG22      ILE 109  12.992  16.926 -17.706
  809   3HG2  ILE 109          HG23      ILE 109  14.150  16.689 -16.393
  810   1HD1  ILE 109          HD11      ILE 109  13.231  12.625 -17.449
  811   2HD1  ILE 109          HD12      ILE 109  14.738  13.562 -17.553
  812   3HD1  ILE 109          HD13      ILE 109  14.587  12.270 -16.364
  813    H    LYS 110           H        LYS 110   9.642  16.378 -16.906
  814    HA   LYS 110           HA       LYS 110  10.225  19.117 -17.473
  815   1HB   LYS 110          HB2       LYS 110   7.680  17.458 -17.645
  816   2HB   LYS 110          HB3       LYS 110   7.729  19.163 -18.117
  817   1HG   LYS 110          HG2       LYS 110   9.397  18.766 -19.807
  818   2HG   LYS 110          HG3       LYS 110   9.649  17.102 -19.276
  819   1HD   LYS 110          HD2       LYS 110   7.334  16.515 -19.926
  820   2HD   LYS 110          HD3       LYS 110   7.075  18.185 -20.492
  821   1HE   LYS 110          HE2       LYS 110   8.961  17.920 -22.102
  822   2HE   LYS 110          HE3       LYS 110   9.231  16.277 -21.528
  823   1HZ   LYS 110          HZ1       LYS 110   6.782  17.230 -22.909
  824   2HZ   LYS 110          HZ2       LYS 110   7.954  16.290 -23.550
  825   3HZ   LYS 110          HZ3       LYS 110   7.004  15.706 -22.358
  826    H    ALA 111           H        ALA 111   8.240  17.630 -14.855
  827    HA   ALA 111           HA       ALA 111   7.354  20.125 -13.769
  828   1HB   ALA 111          HB1       ALA 111   7.817  17.458 -12.359
  829   2HB   ALA 111          HB2       ALA 111   6.866  18.823 -11.745
  830   3HB   ALA 111          HB3       ALA 111   6.328  17.952 -13.194
  831    H    LYS 112           H        LYS 112  10.229  18.082 -13.027
  832    HA   LYS 112           HA       LYS 112  11.351  19.743 -10.994
  833   1HB   LYS 112          HB2       LYS 112  11.922  17.360 -11.442
  834   2HB   LYS 112          HB3       LYS 112  12.692  17.839 -12.946
  835   1HG   LYS 112          HG2       LYS 112  14.443  17.558 -11.393
  836   2HG   LYS 112          HG3       LYS 112  14.261  19.299 -11.578
  837   1HD   LYS 112          HD2       LYS 112  13.042  19.449  -9.453
  838   2HD   LYS 112          HD3       LYS 112  13.071  17.678  -9.284
  839   1HE   LYS 112          HE2       LYS 112  15.539  17.708  -9.202
  840   2HE   LYS 112          HE3       LYS 112  15.545  19.461  -9.441
  841   1HZ   LYS 112          HZ1       LYS 112  14.411  19.692  -7.310
  842   2HZ   LYS 112          HZ2       LYS 112  14.402  18.071  -7.085
  843   3HZ   LYS 112          HZ3       LYS 112  15.811  18.887  -7.117
  844    H    TYR 113           H        TYR 113  11.658  19.805 -14.515
  845    HA   TYR 113           HA       TYR 113  12.808  20.966 -15.978
  846   1HB   TYR 113          HB2       TYR 113  11.042  22.602 -15.246
  847   2HB   TYR 113          HB3       TYR 113  12.263  23.416 -14.285
  848    HD1  TYR 113           HD1      TYR 113  13.794  24.965 -15.357
  849    HD2  TYR 113           HD2      TYR 113  11.337  22.349 -17.754
  850    HE1  TYR 113           HE1      TYR 113  14.434  26.233 -17.382
  851    HE2  TYR 113           HE2      TYR 113  11.964  23.617 -19.788
  852    HH   TYR 113           HH       TYR 113  14.157  26.465 -19.682
  853    HA   PRO 114           HA       PRO 114  16.521  20.828 -13.176
  854   1HB   PRO 114          HB2       PRO 114  17.914  18.751 -14.306
  855   2HB   PRO 114          HB3       PRO 114  16.550  18.500 -13.173
  856   1HG   PRO 114          HG2       PRO 114  16.474  18.437 -16.197
  857   2HG   PRO 114          HG3       PRO 114  15.803  17.255 -15.023
  858   1HD   PRO 114          HD2       PRO 114  14.257  19.208 -16.153
  859   2HD   PRO 114          HD3       PRO 114  14.026  18.676 -14.464
  860    H    ASP 115           H        ASP 115  16.189  21.066 -16.669
  861    HA   ASP 115           HA       ASP 115  18.158  23.188 -16.709
  862   1HB   ASP 115          HB2       ASP 115  19.691  21.277 -17.050
  863   2HB   ASP 115          HB3       ASP 115  18.706  20.714 -18.401
  864    H    TYR 116           H        TYR 116  16.164  20.940 -18.750
  865    HA   TYR 116           HA       TYR 116  14.849  23.185 -20.044
  866   1HB   TYR 116          HB2       TYR 116  17.087  22.793 -21.269
  867   2HB   TYR 116          HB3       TYR 116  16.444  21.232 -21.750
  868    HD1  TYR 116           HD1      TYR 116  15.450  24.876 -21.692
  869    HD2  TYR 116           HD2      TYR 116  15.400  21.163 -23.876
  870    HE1  TYR 116           HE1      TYR 116  14.315  26.011 -23.571
  871    HE2  TYR 116           HE2      TYR 116  14.296  22.300 -25.788
  872    HH   TYR 116           HH       TYR 116  13.386  25.770 -25.704
  873    H    GLU 117           H        GLU 117  13.455  22.042 -21.955
  874    HA   GLU 117           HA       GLU 117  11.754  20.026 -20.761
  875   1HB   GLU 117          HB2       GLU 117  11.008  21.820 -22.341
  876   2HB   GLU 117          HB3       GLU 117  11.901  21.023 -23.646
  877   1HG   GLU 117          HG2       GLU 117  10.444  19.066 -23.492
  878   2HG   GLU 117          HG3       GLU 117   9.673  19.734 -22.040
  879    H    VAL 118           H        VAL 118  11.362  17.900 -21.944
  880    HA   VAL 118           HA       VAL 118  13.765  16.711 -23.146
  881    HB   VAL 118           HB       VAL 118  13.562  14.794 -21.550
  882   1HG1  VAL 118          HG11      VAL 118  14.958  15.749 -19.917
  883   2HG1  VAL 118          HG12      VAL 118  15.172  16.789 -21.331
  884   3HG1  VAL 118          HG13      VAL 118  14.154  17.340 -20.001
  885   1HG2  VAL 118          HG21      VAL 118  11.225  15.265 -20.741
  886   2HG2  VAL 118          HG22      VAL 118  12.414  14.961 -19.471
  887   3HG2  VAL 118          HG23      VAL 118  11.876  16.622 -19.800
  888    H    THR 119           H        THR 119  13.300  14.466 -23.936
  889    HA   THR 119           HA       THR 119  10.444  13.919 -24.502
  890    HB   THR 119           HB       THR 119  11.188  13.421 -26.903
  891    HG1  THR 119           HG1      THR 119  13.011  14.758 -27.542
  892   1HG2  THR 119          HG21      THR 119  10.912  15.729 -27.646
  893   2HG2  THR 119          HG22      THR 119   9.817  15.382 -26.299
  894   3HG2  THR 119          HG23      THR 119  11.282  16.338 -26.015
  895    H    TRP 120           H        TRP 120  10.366  11.646 -25.690
  896    HA   TRP 120           HA       TRP 120  12.513   9.873 -24.836
  897   1HB   TRP 120          HB2       TRP 120  11.118   8.309 -23.669
  898   2HB   TRP 120          HB3       TRP 120  10.947   9.855 -22.872
  899    HD1  TRP 120           HD1      TRP 120   8.567  11.203 -23.926
  900    HE1  TRP 120           HE1      TRP 120   6.213  10.222 -23.979
  901    HE3  TRP 120           HE3      TRP 120   9.785   6.231 -24.059
  902    HZ2  TRP 120           HZ2      TRP 120   4.994   7.589 -24.007
  903    HZ3  TRP 120           HZ3      TRP 120   8.007   4.513 -24.015
  904    HH2  TRP 120           HH2      TRP 120   5.611   5.173 -24.005
  905    H    ALA 121           H        ALA 121  12.126   7.644 -25.661
  906    HA   ALA 121           HA       ALA 121  10.065   7.322 -27.671
  907   1HB   ALA 121          HB1       ALA 121  11.937   8.242 -29.050
  908   2HB   ALA 121          HB2       ALA 121  13.035   7.006 -28.390
  909   3HB   ALA 121          HB3       ALA 121  11.669   6.524 -29.419
  910    H    ASN 122           H        ASN 122   9.546   5.117 -27.835
  911    HA   ASN 122           HA       ASN 122  10.708   3.328 -25.799
  912   1HB   ASN 122          HB2       ASN 122   8.247   3.524 -26.054
  913   2HB   ASN 122          HB3       ASN 122   8.377   2.929 -27.710
  914   1HD2  ASN 122          HD22      ASN 122   7.154   0.985 -27.326
  915   2HD2  ASN 122          HD21      ASN 122   7.754  -0.302 -26.313
  916    H    ASP 123           H        ASP 123  12.716   3.809 -27.344
  917    HA   ASP 123           HA       ASP 123  13.194   1.524 -29.109
  918   1HB   ASP 123          HB2       ASP 123  12.044   3.435 -30.463
  919   2HB   ASP 123          HB3       ASP 123  13.547   4.324 -30.241
  920    H    GLY 124           H        GLY 124  15.677   2.524 -30.166
  921   1HA   GLY 124          HA2       GLY 124  17.851   2.972 -29.551
  922   2HA   GLY 124          HA3       GLY 124  17.274   3.679 -28.040
  923    H    TYR 125           H        TYR 125  19.206   2.555 -27.175
  924    HA   TYR 125           HA       TYR 125  18.650  -0.195 -26.265
  925   1HB   TYR 125          HB2       TYR 125  21.275   0.713 -27.529
  926   2HB   TYR 125          HB3       TYR 125  21.024  -0.794 -26.670
  927    HD1  TYR 125           HD1      TYR 125  19.689  -2.628 -27.654
  928    HD2  TYR 125           HD2      TYR 125  20.440   1.022 -29.825
  929    HE1  TYR 125           HE1      TYR 125  18.965  -3.735 -29.749
  930    HE2  TYR 125           HE2      TYR 125  19.722  -0.069 -31.928
  931    HH   TYR 125           HH       TYR 125  18.928  -2.026 -32.916
  Start of MODEL   14
    1   1H    MET   1          H1        MET   1  13.907  10.374  16.524
    2   2H    MET   1          H2        MET   1  13.084   8.994  16.237
    3   3H    MET   1          H3        MET   1  14.660   8.932  16.702
    4    HA   MET   1           HA       MET   1  15.355  10.002  14.661
    5   1HB   MET   1          HB2       MET   1  13.652   7.495  14.294
    6   2HB   MET   1          HB3       MET   1  14.634   8.201  13.013
    7   1HG   MET   1          HG2       MET   1  15.703   7.157  15.660
    8   2HG   MET   1          HG3       MET   1  15.782   6.347  14.100
    9   1HE   MET   1          HE1       MET   1  18.305   6.742  15.961
   10   2HE   MET   1          HE2       MET   1  18.357   5.939  14.374
   11   3HE   MET   1          HE3       MET   1  19.530   7.217  14.763
   12    H    ALA   2           H        ALA   2  14.845  11.371  13.009
   13    HA   ALA   2           HA       ALA   2  12.162  12.383  12.630
   14   1HB   ALA   2          HB1       ALA   2  13.174  13.553  10.701
   15   2HB   ALA   2          HB2       ALA   2  14.189  13.732  12.144
   16   3HB   ALA   2          HB3       ALA   2  14.650  12.582  10.864
   17    H    VAL   3           H        VAL   3  10.951  12.149  10.562
   18    HA   VAL   3           HA       VAL   3  11.377   9.570   9.179
   19    HB   VAL   3           HB       VAL   3   9.918   9.081  11.026
   20   1HG1  VAL   3          HG11      VAL   3   7.704  10.061  11.354
   21   2HG1  VAL   3          HG12      VAL   3   8.962  11.282  11.556
   22   3HG1  VAL   3          HG13      VAL   3   8.001  11.235  10.060
   23   1HG2  VAL   3          HG21      VAL   3   9.461   7.981   8.843
   24   2HG2  VAL   3          HG22      VAL   3   8.040   8.092   9.887
   25   3HG2  VAL   3          HG23      VAL   3   8.213   9.200   8.517
   26    H    ALA   4           H        ALA   4  11.081   9.709   7.057
   27    HA   ALA   4           HA       ALA   4  10.528  12.285   5.816
   28   1HB   ALA   4          HB1       ALA   4  11.049   9.542   4.574
   29   2HB   ALA   4          HB2       ALA   4  11.127  11.109   3.750
   30   3HB   ALA   4          HB3       ALA   4  12.305  10.722   5.009
   31    H    ASP   5           H        ASP   5   9.164  11.880   3.616
   32    HA   ASP   5           HA       ASP   5   6.784  10.242   3.887
   33   1HB   ASP   5          HB2       ASP   5   6.013  12.308   5.010
   34   2HB   ASP   5          HB3       ASP   5   6.622  13.285   3.672
   35    H    LEU   6           H        LEU   6   5.817  10.072   1.646
   36    HA   LEU   6           HA       LEU   6   7.825   9.946  -0.324
   37   1HB   LEU   6          HB2       LEU   6   4.789  10.000  -0.612
   38   2HB   LEU   6          HB3       LEU   6   5.911   9.603  -1.889
   39    HG   LEU   6           HG       LEU   6   5.263   7.985   0.572
   40   1HD1  LEU   6          HD11      LEU   6   5.277   7.423  -2.427
   41   2HD1  LEU   6          HD12      LEU   6   4.844   6.251  -1.177
   42   3HD1  LEU   6          HD13      LEU   6   3.844   7.695  -1.410
   43   1HD2  LEU   6          HD21      LEU   6   7.664   7.795   0.500
   44   2HD2  LEU   6          HD22      LEU   6   6.985   6.322  -0.176
   45   3HD2  LEU   6          HD23      LEU   6   7.652   7.544  -1.266
   46    H    ALA   7           H        ALA   7   5.690  12.693   0.483
   47    HA   ALA   7           HA       ALA   7   6.231  14.120  -1.937
   48   1HB   ALA   7          HB1       ALA   7   5.393  15.151   0.804
   49   2HB   ALA   7          HB2       ALA   7   5.301  16.046  -0.725
   50   3HB   ALA   7          HB3       ALA   7   4.289  14.609  -0.484
   51    H    LEU   8           H        LEU   8   8.048  13.590   1.016
   52    HA   LEU   8           HA       LEU   8   9.766  15.967   0.656
   53   1HB   LEU   8          HB2       LEU   8   9.763  13.779   2.775
   54   2HB   LEU   8          HB3       LEU   8  10.807  15.191   2.773
   55    HG   LEU   8           HG       LEU   8   7.765  15.282   2.988
   56   1HD1  LEU   8          HD11      LEU   8   8.168  15.902   5.337
   57   2HD1  LEU   8          HD12      LEU   8   8.819  14.298   4.981
   58   3HD1  LEU   8          HD13      LEU   8   9.919  15.689   5.106
   59   1HD2  LEU   8          HD21      LEU   8   9.844  17.501   3.230
   60   2HD2  LEU   8          HD22      LEU   8   8.600  17.345   1.968
   61   3HD2  LEU   8          HD23      LEU   8   8.120  17.659   3.636
   62    H    ILE   9           H        ILE   9   9.817  12.452   0.158
   63    HA   ILE   9           HA       ILE   9  12.581  12.047  -0.084
   64    HB   ILE   9           HB       ILE   9  10.199  10.730  -1.410
   65   1HG1  ILE   9          HG12      ILE   9  12.135   9.895   0.807
   66   2HG1  ILE   9          HG13      ILE   9  10.501  10.496   1.049
   67   1HG2  ILE   9          HG21      ILE   9  13.112   9.855  -1.614
   68   2HG2  ILE   9          HG22      ILE   9  11.716   8.882  -2.117
   69   3HG2  ILE   9          HG23      ILE   9  12.075  10.373  -2.958
   70   1HD1  ILE   9          HD11      ILE   9  10.301   8.188   1.289
   71   2HD1  ILE   9          HD12      ILE   9   9.710   8.502  -0.359
   72   3HD1  ILE   9          HD13      ILE   9  11.339   7.836  -0.104
   73    HA   PRO  10           HA       PRO  10  13.551  14.705  -3.642
   74   1HB   PRO  10          HB2       PRO  10  15.728  12.635  -4.002
   75   2HB   PRO  10          HB3       PRO  10  15.845  14.419  -4.094
   76   1HG   PRO  10          HG2       PRO  10  16.662  13.107  -1.865
   77   2HG   PRO  10          HG3       PRO  10  15.716  14.623  -1.718
   78   1HD   PRO  10          HD2       PRO  10  14.746  11.771  -1.448
   79   2HD   PRO  10          HD3       PRO  10  14.355  13.208  -0.452
   80    H    ASP  11           H        ASP  11  12.687  14.600  -5.696
   81    HA   ASP  11           HA       ASP  11  11.502  12.030  -6.425
   82   1HB   ASP  11          HB2       ASP  11  10.351  14.325  -6.268
   83   2HB   ASP  11          HB3       ASP  11  11.074  14.666  -7.844
   84    H    VAL  12           H        VAL  12  13.719  14.407  -7.983
   85    HA   VAL  12           HA       VAL  12  14.613  12.307  -9.875
   86    HB   VAL  12           HB       VAL  12  13.872  15.149 -10.681
   87   1HG1  VAL  12          HG11      VAL  12  14.837  12.808 -12.380
   88   2HG1  VAL  12          HG12      VAL  12  14.272  14.381 -12.985
   89   3HG1  VAL  12          HG13      VAL  12  15.739  14.299 -12.025
   90   1HG2  VAL  12          HG21      VAL  12  12.134  14.072 -12.111
   91   2HG2  VAL  12          HG22      VAL  12  12.431  12.533 -11.274
   92   3HG2  VAL  12          HG23      VAL  12  11.796  13.932 -10.390
   93    H    ASP  13           H        ASP  13  16.817  12.452 -10.289
   94    HA   ASP  13           HA       ASP  13  18.258  14.920  -9.937
   95   1HB   ASP  13          HB2       ASP  13  18.372  14.164  -7.599
   96   2HB   ASP  13          HB3       ASP  13  18.946  12.579  -8.114
   97    H    ILE  14           H        ILE  14  19.456  14.911 -11.761
   98    HA   ILE  14           HA       ILE  14  20.793  12.494 -12.708
   99    HB   ILE  14           HB       ILE  14  20.023  12.838 -15.018
  100   1HG1  ILE  14          HG12      ILE  14  17.867  14.694 -13.920
  101   2HG1  ILE  14          HG13      ILE  14  19.285  15.221 -14.832
  102   1HG2  ILE  14          HG21      ILE  14  17.941  11.639 -14.847
  103   2HG2  ILE  14          HG22      ILE  14  18.976  11.140 -13.511
  104   3HG2  ILE  14          HG23      ILE  14  17.641  12.270 -13.213
  105   1HD1  ILE  14          HD11      ILE  14  18.534  13.823 -16.768
  106   2HD1  ILE  14          HD12      ILE  14  17.032  13.470 -15.876
  107   3HD1  ILE  14          HD13      ILE  14  17.418  15.132 -16.338
  108    H    ASP  15           H        ASP  15  22.525  13.088 -14.252
  109    HA   ASP  15           HA       ASP  15  23.793  15.602 -13.591
  110   1HB   ASP  15          HB2       ASP  15  25.103  13.618 -14.186
  111   2HB   ASP  15          HB3       ASP  15  24.404  13.614 -15.806
  112    H    SER  16           H        SER  16  23.845  17.524 -14.741
  113    HA   SER  16           HA       SER  16  21.524  18.217 -16.082
  114   1HB   SER  16          HB2       SER  16  24.147  19.746 -16.147
  115   2HB   SER  16          HB3       SER  16  22.500  20.401 -16.187
  116    HG   SER  16           HG       SER  16  23.457  20.566 -14.106
  117    H    ASP  17           H        ASP  17  24.561  17.029 -17.556
  118    HA   ASP  17           HA       ASP  17  23.427  17.118 -20.220
  119   1HB   ASP  17          HB2       ASP  17  23.980  19.468 -20.200
  120   2HB   ASP  17          HB3       ASP  17  25.569  19.153 -19.494
  121    H    GLY  18           H        GLY  18  24.062  15.036 -20.642
  122   1HA   GLY  18          HA2       GLY  18  26.745  14.391 -21.238
  123   2HA   GLY  18          HA3       GLY  18  26.350  13.753 -19.631
  124    H    VAL  19           H        VAL  19  26.756  11.688 -20.803
  125    HA   VAL  19           HA       VAL  19  24.233  10.557 -21.878
  126    HB   VAL  19           HB       VAL  19  27.075  10.108 -22.910
  127   1HG1  VAL  19          HG11      VAL  19  26.057   8.488 -24.504
  128   2HG1  VAL  19          HG12      VAL  19  25.961   7.941 -22.829
  129   3HG1  VAL  19          HG13      VAL  19  24.521   8.607 -23.621
  130   1HG2  VAL  19          HG21      VAL  19  26.041  12.101 -23.895
  131   2HG2  VAL  19          HG22      VAL  19  26.132  10.813 -25.097
  132   3HG2  VAL  19          HG23      VAL  19  24.585  11.172 -24.303
  133    H    PHE  20           H        PHE  20  23.598   9.025 -20.418
  134    HA   PHE  20           HA       PHE  20  25.494   7.335 -18.997
  135   1HB   PHE  20          HB2       PHE  20  24.676   8.124 -16.749
  136   2HB   PHE  20          HB3       PHE  20  25.783   9.205 -17.567
  137    HD1  PHE  20           HD1      PHE  20  22.266   8.767 -16.467
  138    HD2  PHE  20           HD2      PHE  20  25.086  11.406 -18.376
  139    HE1  PHE  20           HE1      PHE  20  20.680  10.657 -16.203
  140    HE2  PHE  20           HE2      PHE  20  23.472  13.280 -18.166
  141    HZ   PHE  20           HZ       PHE  20  21.280  12.915 -17.067
  142    H    LYS  21           H        LYS  21  24.222   5.871 -17.456
  143    HA   LYS  21           HA       LYS  21  21.689   5.147 -18.826
  144   1HB   LYS  21          HB2       LYS  21  23.507   3.576 -16.956
  145   2HB   LYS  21          HB3       LYS  21  21.867   3.092 -17.368
  146   1HG   LYS  21          HG2       LYS  21  23.361   1.857 -18.741
  147   2HG   LYS  21          HG3       LYS  21  22.374   2.931 -19.718
  148   1HD   LYS  21          HD2       LYS  21  24.613   2.789 -20.595
  149   2HD   LYS  21          HD3       LYS  21  24.305   4.437 -20.058
  150   1HE   LYS  21          HE2       LYS  21  25.603   3.993 -17.975
  151   2HE   LYS  21          HE3       LYS  21  25.837   2.318 -18.488
  152   1HZ   LYS  21          HZ1       LYS  21  27.775   3.722 -19.009
  153   2HZ   LYS  21          HZ2       LYS  21  27.122   3.094 -20.365
  154   3HZ   LYS  21          HZ3       LYS  21  26.869   4.664 -19.986
  155    H    TYR  22           H        TYR  22  19.831   4.560 -17.396
  156    HA   TYR  22           HA       TYR  22  19.782   5.984 -14.819
  157   1HB   TYR  22          HB2       TYR  22  18.524   7.702 -15.468
  158   2HB   TYR  22          HB3       TYR  22  19.000   7.327 -17.100
  159    HD1  TYR  22           HD1      TYR  22  16.277   7.470 -14.704
  160    HD2  TYR  22           HD2      TYR  22  17.496   5.777 -18.472
  161    HE1  TYR  22           HE1      TYR  22  13.939   6.704 -15.112
  162    HE2  TYR  22           HE2      TYR  22  15.195   4.992 -18.873
  163    HH   TYR  22           HH       TYR  22  13.091   4.733 -17.935
  164    H    VAL  23           H        VAL  23  17.597   5.547 -13.718
  165    HA   VAL  23           HA       VAL  23  16.265   3.096 -14.622
  166    HB   VAL  23           HB       VAL  23  18.228   2.466 -13.152
  167   1HG1  VAL  23          HG11      VAL  23  16.569   3.709 -10.919
  168   2HG1  VAL  23          HG12      VAL  23  18.049   2.753 -10.729
  169   3HG1  VAL  23          HG13      VAL  23  18.097   4.338 -11.533
  170   1HG2  VAL  23          HG21      VAL  23  15.499   1.635 -12.119
  171   2HG2  VAL  23          HG22      VAL  23  16.382   0.926 -13.488
  172   3HG2  VAL  23          HG23      VAL  23  17.042   0.794 -11.856
  173    H    LEU  24           H        LEU  24  14.192   2.817 -13.608
  174    HA   LEU  24           HA       LEU  24  13.035   5.289 -12.409
  175   1HB   LEU  24          HB2       LEU  24  12.361   4.730 -14.781
  176   2HB   LEU  24          HB3       LEU  24  11.683   3.227 -14.175
  177    HG   LEU  24           HG       LEU  24  10.764   6.083 -13.592
  178   1HD1  LEU  24          HD11      LEU  24   9.439   3.700 -14.942
  179   2HD1  LEU  24          HD12      LEU  24   8.676   5.260 -14.642
  180   3HD1  LEU  24          HD13      LEU  24  10.078   5.182 -15.730
  181   1HD2  LEU  24          HD21      LEU  24   8.830   4.963 -12.401
  182   2HD2  LEU  24          HD22      LEU  24   9.831   3.511 -12.267
  183   3HD2  LEU  24          HD23      LEU  24  10.336   5.049 -11.503
  184    H    ILE  25           H        ILE  25  12.496   4.774 -10.210
  185    HA   ILE  25           HA       ILE  25  11.794   1.942  -9.703
  186    HB   ILE  25           HB       ILE  25  13.287   1.535  -8.256
  187   1HG1  ILE  25          HG12      ILE  25  13.367   4.267  -6.976
  188   2HG1  ILE  25          HG13      ILE  25  12.244   2.990  -6.510
  189   1HG2  ILE  25          HG21      ILE  25  14.818   4.038  -8.999
  190   2HG2  ILE  25          HG22      ILE  25  15.500   2.502  -8.432
  191   3HG2  ILE  25          HG23      ILE  25  14.731   2.561 -10.006
  192   1HD1  ILE  25          HD11      ILE  25  15.257   2.843  -6.284
  193   2HD1  ILE  25          HD12      ILE  25  14.066   2.943  -4.978
  194   3HD1  ILE  25          HD13      ILE  25  14.142   1.487  -5.996
  195    H    ARG  26           H        ARG  26  10.159   1.483  -8.428
  196    HA   ARG  26           HA       ARG  26   8.332   3.658  -7.611
  197   1HB   ARG  26          HB2       ARG  26   7.415   1.673  -8.697
  198   2HB   ARG  26          HB3       ARG  26   8.145   0.607  -7.502
  199   1HG   ARG  26          HG2       ARG  26   6.678   1.291  -5.784
  200   2HG   ARG  26          HG3       ARG  26   6.223   2.786  -6.608
  201   1HD   ARG  26          HD2       ARG  26   5.512   0.034  -7.690
  202   2HD   ARG  26          HD3       ARG  26   4.466   0.950  -6.584
  203    HE   ARG  26           HE       ARG  26   4.954   2.808  -8.474
  204   1HH1  ARG  26          HH11      ARG  26   3.719  -0.518  -8.752
  205   2HH1  ARG  26          HH12      ARG  26   2.808  -0.203 -10.181
  206   1HH2  ARG  26          HH21      ARG  26   3.787   3.234 -10.359
  207   2HH2  ARG  26          HH22      ARG  26   2.830   1.993 -11.110
  208    H    VAL  27           H        VAL  27   7.903   4.060  -5.446
  209    HA   VAL  27           HA       VAL  27   9.595   2.805  -3.339
  210    HB   VAL  27           HB       VAL  27   8.967   5.749  -3.808
  211   1HG1  VAL  27          HG11      VAL  27  10.964   4.605  -1.854
  212   2HG1  VAL  27          HG12      VAL  27  10.486   6.300  -2.045
  213   3HG1  VAL  27          HG13      VAL  27   9.318   5.135  -1.413
  214   1HG2  VAL  27          HG21      VAL  27  11.611   4.363  -4.320
  215   2HG2  VAL  27          HG22      VAL  27  10.548   5.135  -5.521
  216   3HG2  VAL  27          HG23      VAL  27  11.342   6.123  -4.301
  217    H    HIS  28           H        HIS  28   8.221   2.117  -1.703
  218    HA   HIS  28           HA       HIS  28   5.370   2.972  -1.746
  219   1HB   HIS  28          HB2       HIS  28   6.821   0.810  -0.179
  220   2HB   HIS  28          HB3       HIS  28   5.079   1.084  -0.214
  221    HD1  HIS  28           HD1      HIS  28   4.256   1.124  -3.146
  222    HD2  HIS  28           HD2      HIS  28   7.460  -1.198  -1.696
  223    HE1  HIS  28           HE1      HIS  28   4.595  -0.760  -4.816
  224    H    SER  29           H        SER  29   4.328   3.768   0.122
  225    HA   SER  29           HA       SER  29   5.811   5.511   1.850
  226   1HB   SER  29          HB2       SER  29   2.976   4.476   2.166
  227   2HB   SER  29          HB3       SER  29   3.684   5.872   2.986
  228    HG   SER  29           HG       SER  29   3.215   5.518   0.206
  229    H    ALA  30           H        ALA  30   7.415   4.088   2.776
  230    HA   ALA  30           HA       ALA  30   6.384   2.964   5.295
  231   1HB   ALA  30          HB1       ALA  30   7.810   0.981   5.139
  232   2HB   ALA  30          HB2       ALA  30   6.688   1.043   3.774
  233   3HB   ALA  30          HB3       ALA  30   8.389   1.491   3.544
  234    HA   PRO  31           HA       PRO  31  10.535   5.539   5.683
  235   1HB   PRO  31          HB2       PRO  31   8.444   7.552   6.560
  236   2HB   PRO  31          HB3       PRO  31  10.155   7.841   6.092
  237   1HG   PRO  31          HG2       PRO  31   8.197   8.228   4.273
  238   2HG   PRO  31          HG3       PRO  31   9.670   7.333   3.792
  239   1HD   PRO  31          HD2       PRO  31   6.957   6.234   4.550
  240   2HD   PRO  31          HD3       PRO  31   8.061   5.742   3.250
  241    H    ARG  32           H        ARG  32  11.433   5.069   7.545
  242    HA   ARG  32           HA       ARG  32  11.780   3.935   9.449
  243   1HB   ARG  32          HB2       ARG  32   9.882   6.028  10.563
  244   2HB   ARG  32          HB3       ARG  32  11.130   5.170  11.460
  245   1HG   ARG  32          HG2       ARG  32  11.643   7.144   9.188
  246   2HG   ARG  32          HG3       ARG  32  11.788   7.455  10.920
  247   1HD   ARG  32          HD2       ARG  32  13.589   5.684  11.007
  248   2HD   ARG  32          HD3       ARG  32  13.488   5.587   9.233
  249    HE   ARG  32           HE       ARG  32  13.824   8.277  10.366
  250   1HH1  ARG  32          HH11      ARG  32  15.534   5.510   8.900
  251   2HH1  ARG  32          HH12      ARG  32  16.967   6.403   8.587
  252   1HH2  ARG  32          HH21      ARG  32  15.682   9.453   9.894
  253   2HH2  ARG  32          HH22      ARG  32  17.050   8.717   9.146
  254    H    SER  33           H        SER  33   9.529   2.779   7.914
  255    HA   SER  33           HA       SER  33   7.831   1.354   8.057
  256   1HB   SER  33          HB2       SER  33   9.147   0.453  10.645
  257   2HB   SER  33          HB3       SER  33   8.112  -0.509   9.575
  258    HG   SER  33           HG       SER  33  10.348  -0.907   9.238
  259    H    GLY  34           H        GLY  34   7.259   4.000   9.187
  260   1HA   GLY  34          HA2       GLY  34   4.961   3.301  10.954
  261   2HA   GLY  34          HA3       GLY  34   6.187   4.454  11.502
  262    H    ALA  35           H        ALA  35   5.551   4.540   8.089
  263    HA   ALA  35           HA       ALA  35   4.441   7.181   8.163
  264   1HB   ALA  35          HB1       ALA  35   4.565   5.101   5.933
  265   2HB   ALA  35          HB2       ALA  35   4.161   6.816   5.714
  266   3HB   ALA  35          HB3       ALA  35   5.771   6.366   6.305
  267    HA   PRO  36           HA       PRO  36   0.257   6.185   8.927
  268   1HB   PRO  36          HB2       PRO  36  -1.112   8.366   8.032
  269   2HB   PRO  36          HB3       PRO  36   0.120   8.474   9.322
  270   1HG   PRO  36          HG2       PRO  36   0.501   8.994   6.349
  271   2HG   PRO  36          HG3       PRO  36   0.936  10.070   7.719
  272   1HD   PRO  36          HD2       PRO  36   2.761   8.407   6.585
  273   2HD   PRO  36          HD3       PRO  36   2.745   8.694   8.350
  274    H    ALA  37           H        ALA  37   1.254   5.740   5.766
  275    HA   ALA  37           HA       ALA  37  -1.367   4.798   4.807
  276   1HB   ALA  37          HB1       ALA  37  -1.246   7.239   4.260
  277   2HB   ALA  37          HB2       ALA  37   0.278   6.952   3.389
  278   3HB   ALA  37          HB3       ALA  37  -1.240   6.228   2.803
  279    H    ALA  38           H        ALA  38  -0.942   4.005   2.408
  280    HA   ALA  38           HA       ALA  38   1.752   2.833   2.048
  281   1HB   ALA  38          HB1       ALA  38   0.370   1.107   3.161
  282   2HB   ALA  38          HB2       ALA  38  -0.826   1.238   1.844
  283   3HB   ALA  38          HB3       ALA  38   0.827   0.665   1.505
  284    H    GLU  39           H        GLU  39   0.729   5.155   0.882
  285    HA   GLU  39           HA       GLU  39  -0.074   4.522  -1.848
  286   1HB   GLU  39          HB2       GLU  39   1.042   7.074  -0.580
  287   2HB   GLU  39          HB3       GLU  39   0.474   6.938  -2.249
  288   1HG   GLU  39          HG2       GLU  39  -1.787   6.277  -1.401
  289   2HG   GLU  39          HG3       GLU  39  -1.225   6.555   0.250
  290    H    SER  40           H        SER  40   1.558   5.448  -3.637
  291    HA   SER  40           HA       SER  40   4.356   4.805  -2.940
  292   1HB   SER  40          HB2       SER  40   3.009   3.701  -5.422
  293   2HB   SER  40          HB3       SER  40   4.651   3.388  -4.847
  294    HG   SER  40           HG       SER  40   2.212   2.607  -3.611
  295    H    LYS  41           H        LYS  41   5.862   5.572  -4.574
  296    HA   LYS  41           HA       LYS  41   4.866   7.615  -6.466
  297   1HB   LYS  41          HB2       LYS  41   6.609   9.187  -5.885
  298   2HB   LYS  41          HB3       LYS  41   5.664   8.865  -4.426
  299   1HG   LYS  41          HG2       LYS  41   7.400   7.293  -3.637
  300   2HG   LYS  41          HG3       LYS  41   8.337   7.546  -5.110
  301   1HD   LYS  41          HD2       LYS  41   7.953   9.523  -2.861
  302   2HD   LYS  41          HD3       LYS  41   9.393   8.643  -3.353
  303   1HE   LYS  41          HE2       LYS  41   9.929  10.575  -4.353
  304   2HE   LYS  41          HE3       LYS  41   9.004   9.862  -5.673
  305   1HZ   LYS  41          HZ1       LYS  41   7.072  11.189  -4.831
  306   2HZ   LYS  41          HZ2       LYS  41   8.065  11.905  -3.738
  307   3HZ   LYS  41          HZ3       LYS  41   8.321  12.082  -5.379
  308    H    GLU  42           H        GLU  42   6.547   8.010  -8.153
  309    HA   GLU  42           HA       GLU  42   8.480   5.756  -8.462
  310   1HB   GLU  42          HB2       GLU  42   6.725   7.239 -10.455
  311   2HB   GLU  42          HB3       GLU  42   8.291   6.609 -10.933
  312   1HG   GLU  42          HG2       GLU  42   6.778   4.946 -11.551
  313   2HG   GLU  42          HG3       GLU  42   7.582   4.325 -10.115
  314    H    ILE  43           H        ILE  43  10.603   6.405  -8.597
  315    HA   ILE  43           HA       ILE  43  11.181   9.308  -8.978
  316    HB   ILE  43           HB       ILE  43  13.114   9.041  -7.521
  317   1HG1  ILE  43          HG12      ILE  43  12.048   6.298  -6.796
  318   2HG1  ILE  43          HG13      ILE  43  13.465   6.587  -7.796
  319   1HG2  ILE  43          HG21      ILE  43  11.923   9.217  -5.448
  320   2HG2  ILE  43          HG22      ILE  43  10.872   9.831  -6.730
  321   3HG2  ILE  43          HG23      ILE  43  10.591   8.203  -6.059
  322   1HD1  ILE  43          HD11      ILE  43  13.233   7.466  -4.881
  323   2HD1  ILE  43          HD12      ILE  43  14.059   6.030  -5.483
  324   3HD1  ILE  43          HD13      ILE  43  14.649   7.640  -5.942
  325    H    VAL  44           H        VAL  44  13.308   9.756  -9.806
  326    HA   VAL  44           HA       VAL  44  14.171   7.787 -11.888
  327    HB   VAL  44           HB       VAL  44  13.667  10.791 -12.082
  328   1HG1  VAL  44          HG11      VAL  44  14.366   8.849 -14.308
  329   2HG1  VAL  44          HG12      VAL  44  14.028  10.578 -14.486
  330   3HG1  VAL  44          HG13      VAL  44  15.472  10.056 -13.615
  331   1HG2  VAL  44          HG21      VAL  44  11.508   9.603 -11.994
  332   2HG2  VAL  44          HG22      VAL  44  11.810  10.278 -13.585
  333   3HG2  VAL  44          HG23      VAL  44  12.037   8.531 -13.312
  334    H    ARG  45           H        ARG  45  16.375   7.438 -11.765
  335    HA   ARG  45           HA       ARG  45  18.132   9.703 -10.993
  336   1HB   ARG  45          HB2       ARG  45  18.445   6.823 -10.001
  337   2HB   ARG  45          HB3       ARG  45  19.726   8.008  -9.981
  338   1HG   ARG  45          HG2       ARG  45  17.305   7.890  -8.211
  339   2HG   ARG  45          HG3       ARG  45  19.027   7.856  -7.827
  340   1HD   ARG  45          HD2       ARG  45  18.895   9.970  -7.251
  341   2HD   ARG  45          HD3       ARG  45  18.810  10.342  -8.962
  342    HE   ARG  45           HE       ARG  45  16.460  10.518  -8.843
  343   1HH1  ARG  45          HH21      ARG  45  17.850   9.949  -5.614
  344   2HH1  ARG  45          HH22      ARG  45  16.371  10.248  -4.776
  345   1HH2  ARG  45          HH11      ARG  45  14.500  10.942  -7.716
  346   2HH2  ARG  45          HH12      ARG  45  14.454  10.897  -5.993
  347    H    GLY  46           H        GLY  46  20.174   9.591 -12.062
  348   1HA   GLY  46          HA2       GLY  46  21.049   7.303 -13.506
  349   2HA   GLY  46          HA3       GLY  46  20.432   8.536 -14.627
  350    H    TYR  47           H        TYR  47  23.267   7.521 -13.784
  351    HA   TYR  47           HA       TYR  47  24.525  10.182 -13.530
  352   1HB   TYR  47          HB2       TYR  47  25.112   7.899 -11.592
  353   2HB   TYR  47          HB3       TYR  47  25.907   9.462 -11.636
  354    HD1  TYR  47           HD1      TYR  47  23.151   7.560 -10.318
  355    HD2  TYR  47           HD2      TYR  47  24.558  11.568 -11.037
  356    HE1  TYR  47           HE1      TYR  47  21.612   8.405  -8.564
  357    HE2  TYR  47           HE2      TYR  47  22.999  12.432  -9.323
  358    HH   TYR  47           HH       TYR  47  21.382  11.907  -7.761
  359    H    LYS  48           H        LYS  48  26.743  10.120 -14.202
  360    HA   LYS  48           HA       LYS  48  27.366   8.183 -16.168
  361   1HB   LYS  48          HB2       LYS  48  28.255  10.534 -16.041
  362   2HB   LYS  48          HB3       LYS  48  29.257  10.055 -14.673
  363   1HG   LYS  48          HG2       LYS  48  30.589  10.145 -16.675
  364   2HG   LYS  48          HG3       LYS  48  30.497   8.470 -16.137
  365   1HD   LYS  48          HD2       LYS  48  28.762   8.006 -17.858
  366   2HD   LYS  48          HD3       LYS  48  28.807   9.693 -18.380
  367   1HE   LYS  48          HE2       LYS  48  31.154   7.738 -18.470
  368   2HE   LYS  48          HE3       LYS  48  30.088   8.094 -19.831
  369   1HZ   LYS  48          HZ1       LYS  48  32.099   9.391 -19.961
  370   2HZ   LYS  48          HZ2       LYS  48  30.840  10.400 -19.748
  371   3HZ   LYS  48          HZ3       LYS  48  31.853  10.069 -18.503
  372    H    TRP  49           H        TRP  49  28.172   8.249 -12.671
  373    HA   TRP  49           HA       TRP  49  30.095   6.156 -12.842
  374   1HB   TRP  49          HB2       TRP  49  29.752   5.856 -10.430
  375   2HB   TRP  49          HB3       TRP  49  30.134   7.487 -10.921
  376    HD1  TRP  49           HD1      TRP  49  28.760   9.319  -9.903
  377    HE1  TRP  49           HE1      TRP  49  26.667   9.508  -8.459
  378    HE3  TRP  49           HE3      TRP  49  27.166   4.447 -10.136
  379    HZ2  TRP  49           HZ2      TRP  49  24.559   7.748  -7.491
  380    HZ3  TRP  49           HZ3      TRP  49  25.017   3.800  -9.131
  381    HH2  TRP  49           HH2      TRP  49  23.675   5.462  -7.827
  382    H    ALA  50           H        ALA  50  26.525   6.023 -12.830
  383    HA   ALA  50           HA       ALA  50  26.482   3.160 -12.346
  384   1HB   ALA  50          HB1       ALA  50  24.289   5.015 -13.349
  385   2HB   ALA  50          HB2       ALA  50  24.125   3.313 -12.849
  386   3HB   ALA  50          HB3       ALA  50  24.577   4.540 -11.656
  387    H    GLU  51           H        GLU  51  28.188   2.791 -13.964
  388    HA   GLU  51           HA       GLU  51  27.590   2.942 -16.750
  389   1HB   GLU  51          HB2       GLU  51  29.472   1.188 -15.120
  390   2HB   GLU  51          HB3       GLU  51  29.420   1.114 -16.880
  391   1HG   GLU  51          HG2       GLU  51  29.974   3.707 -15.376
  392   2HG   GLU  51          HG3       GLU  51  31.227   2.558 -15.825
  393    H    TYR  52           H        TYR  52  26.118   1.054 -14.332
  394    HA   TYR  52           HA       TYR  52  24.730  -0.527 -16.361
  395   1HB   TYR  52          HB2       TYR  52  24.709  -2.438 -14.587
  396   2HB   TYR  52          HB3       TYR  52  25.996  -2.299 -15.769
  397    HD1  TYR  52           HD1      TYR  52  28.179  -1.274 -15.139
  398    HD2  TYR  52           HD2      TYR  52  25.239  -2.402 -12.223
  399    HE1  TYR  52           HE1      TYR  52  29.950  -1.281 -13.380
  400    HE2  TYR  52           HE2      TYR  52  26.973  -2.426 -10.449
  401    HH   TYR  52           HH       TYR  52  30.419  -1.636 -11.121
  402    H    HIS  53           H        HIS  53  22.567  -0.692 -15.865
  403    HA   HIS  53           HA       HIS  53  21.337   1.221 -14.285
  404   1HB   HIS  53          HB2       HIS  53  20.016  -1.426 -14.939
  405   2HB   HIS  53          HB3       HIS  53  19.294   0.180 -14.899
  406    HD1  HIS  53           HD1      HIS  53  21.340  -2.123 -17.211
  407    HD2  HIS  53           HD2      HIS  53  19.667   1.747 -17.126
  408    HE1  HIS  53           HE1      HIS  53  21.562  -1.179 -19.566
  409    H    ALA  54           H        ALA  54  22.233  -2.119 -13.411
  410    HA   ALA  54           HA       ALA  54  20.766  -2.279 -10.991
  411   1HB   ALA  54          HB1       ALA  54  22.301  -4.111 -10.422
  412   2HB   ALA  54          HB2       ALA  54  21.752  -4.243 -12.102
  413   3HB   ALA  54          HB3       ALA  54  23.389  -3.643 -11.741
  414    H    ASP  55           H        ASP  55  23.722  -0.468 -11.723
  415    HA   ASP  55           HA       ASP  55  24.737  -0.401  -9.043
  416   1HB   ASP  55          HB2       ASP  55  25.850   0.306 -11.339
  417   2HB   ASP  55          HB3       ASP  55  25.102   1.848 -11.043
  418    H    ILE  56           H        ILE  56  22.473   1.688 -10.883
  419    HA   ILE  56           HA       ILE  56  22.150   3.491  -8.613
  420    HB   ILE  56           HB       ILE  56  19.985   4.064 -10.172
  421   1HG1  ILE  56          HG12      ILE  56  22.034   2.958 -12.103
  422   2HG1  ILE  56          HG13      ILE  56  20.282   2.717 -12.023
  423   1HG2  ILE  56          HG21      ILE  56  22.736   5.257 -10.347
  424   2HG2  ILE  56          HG22      ILE  56  21.192   6.057 -10.752
  425   3HG2  ILE  56          HG23      ILE  56  21.490   5.561  -9.095
  426   1HD1  ILE  56          HD11      ILE  56  21.807   5.210 -12.886
  427   2HD1  ILE  56          HD12      ILE  56  20.889   4.094 -13.910
  428   3HD1  ILE  56          HD13      ILE  56  20.031   5.115 -12.727
  429    H    TYR  57           H        TYR  57  20.294   0.685  -9.968
  430    HA   TYR  57           HA       TYR  57  18.125   1.088  -8.151
  431   1HB   TYR  57          HB2       TYR  57  17.945  -0.540  -9.964
  432   2HB   TYR  57          HB3       TYR  57  19.223  -1.527  -9.248
  433    HD1  TYR  57           HD1      TYR  57  18.462  -3.420  -8.073
  434    HD2  TYR  57           HD2      TYR  57  16.032   0.148  -8.048
  435    HE1  TYR  57           HE1      TYR  57  16.807  -4.561  -6.635
  436    HE2  TYR  57           HE2      TYR  57  14.387  -0.976  -6.586
  437    HH   TYR  57           HH       TYR  57  14.779  -4.373  -5.494
  438    H    ASP  58           H        ASP  58  21.277  -0.690  -7.728
  439    HA   ASP  58           HA       ASP  58  20.928  -1.499  -5.049
  440   1HB   ASP  58          HB2       ASP  58  22.817  -2.334  -6.198
  441   2HB   ASP  58          HB3       ASP  58  23.339  -0.735  -6.711
  442    H    LYS  59           H        LYS  59  22.284   1.588  -6.322
  443    HA   LYS  59           HA       LYS  59  22.965   2.614  -3.762
  444   1HB   LYS  59          HB2       LYS  59  23.374   3.462  -6.377
  445   2HB   LYS  59          HB3       LYS  59  22.156   4.598  -5.875
  446   1HG   LYS  59          HG2       LYS  59  24.271   5.592  -5.479
  447   2HG   LYS  59          HG3       LYS  59  23.592   5.194  -3.909
  448   1HD   LYS  59          HD2       LYS  59  25.968   4.755  -4.048
  449   2HD   LYS  59          HD3       LYS  59  25.088   3.270  -3.695
  450   1HE   LYS  59          HE2       LYS  59  26.086   4.008  -6.482
  451   2HE   LYS  59          HE3       LYS  59  27.091   3.176  -5.298
  452   1HZ   LYS  59          HZ1       LYS  59  25.422   1.339  -5.282
  453   2HZ   LYS  59          HZ2       LYS  59  24.613   2.095  -6.493
  454   3HZ   LYS  59          HZ3       LYS  59  26.104   1.603  -6.767
  455    H    VAL  60           H        VAL  60  20.077   3.118  -5.788
  456    HA   VAL  60           HA       VAL  60  18.939   4.999  -3.936
  457    HB   VAL  60           HB       VAL  60  17.821   3.655  -6.427
  458   1HG1  VAL  60          HG11      VAL  60  16.028   4.552  -4.871
  459   2HG1  VAL  60          HG12      VAL  60  16.849   6.108  -4.858
  460   3HG1  VAL  60          HG13      VAL  60  16.157   5.481  -6.380
  461   1HG2  VAL  60          HG21      VAL  60  18.965   6.442  -6.023
  462   2HG2  VAL  60          HG22      VAL  60  19.828   5.118  -6.817
  463   3HG2  VAL  60          HG23      VAL  60  18.339   5.712  -7.535
  464    H    SER  61           H        SER  61  18.208   1.483  -4.712
  465    HA   SER  61           HA       SER  61  16.006   1.445  -2.888
  466   1HB   SER  61          HB2       SER  61  16.185  -0.988  -2.938
  467   2HB   SER  61          HB3       SER  61  16.249  -0.294  -4.565
  468    HG   SER  61           HG       SER  61  18.399  -0.641  -4.655
  469    H    GLY  62           H        GLY  62  19.534   1.114  -2.375
  470   1HA   GLY  62          HA2       GLY  62  19.428   0.294   0.351
  471   2HA   GLY  62          HA3       GLY  62  20.737   1.204  -0.436
  472    H    ASP  63           H        ASP  63  19.671   3.640  -1.095
  473    HA   ASP  63           HA       ASP  63  19.537   4.942   1.417
  474   1HB   ASP  63          HB2       ASP  63  20.340   6.021  -0.661
  475   2HB   ASP  63          HB3       ASP  63  18.681   6.060  -1.275
  476    H    MET  64           H        MET  64  16.917   4.229  -0.968
  477    HA   MET  64           HA       MET  64  14.771   5.348   0.492
  478   1HB   MET  64          HB2       MET  64  14.870   2.898  -1.312
  479   2HB   MET  64          HB3       MET  64  13.400   3.647  -0.717
  480   1HG   MET  64          HG2       MET  64  15.392   4.992  -2.561
  481   2HG   MET  64          HG3       MET  64  13.822   4.344  -2.991
  482   1HE   MET  64          HE1       MET  64  15.644   6.999  -0.684
  483   2HE   MET  64          HE2       MET  64  15.753   7.367  -2.431
  484   3HE   MET  64          HE3       MET  64  14.841   8.435  -1.344
  485    H    GLN  65           H        GLN  65  16.065   1.927   0.729
  486    HA   GLN  65           HA       GLN  65  14.160   1.293   2.746
  487   1HB   GLN  65          HB2       GLN  65  16.761   0.052   1.792
  488   2HB   GLN  65          HB3       GLN  65  15.845  -0.662   3.114
  489   1HG   GLN  65          HG2       GLN  65  13.884  -0.983   1.704
  490   2HG   GLN  65          HG3       GLN  65  14.658  -0.138   0.359
  491   1HE2  GLN  65          HE22      GLN  65  16.802  -1.069  -0.373
  492   2HE2  GLN  65          HE21      GLN  65  16.938  -2.824  -0.456
  493    H    LYS  66           H        LYS  66  17.426   2.756   2.947
  494    HA   LYS  66           HA       LYS  66  17.722   2.539   5.789
  495   1HB   LYS  66          HB2       LYS  66  19.560   3.129   4.335
  496   2HB   LYS  66          HB3       LYS  66  18.684   4.509   3.704
  497   1HG   LYS  66          HG2       LYS  66  18.804   5.560   6.030
  498   2HG   LYS  66          HG3       LYS  66  19.845   4.202   6.492
  499   1HD   LYS  66          HD2       LYS  66  21.276   6.041   5.872
  500   2HD   LYS  66          HD3       LYS  66  21.371   4.831   4.574
  501   1HE   LYS  66          HE2       LYS  66  19.663   6.160   3.279
  502   2HE   LYS  66          HE3       LYS  66  19.664   7.376   4.553
  503   1HZ   LYS  66          HZ1       LYS  66  21.871   7.965   3.980
  504   2HZ   LYS  66          HZ2       LYS  66  22.102   6.637   3.046
  505   3HZ   LYS  66          HZ3       LYS  66  21.059   7.792   2.550
  506    H    GLN  67           H        GLN  67  16.073   5.033   3.690
  507    HA   GLN  67           HA       GLN  67  15.040   6.503   5.968
  508   1HB   GLN  67          HB2       GLN  67  13.961   6.301   3.118
  509   2HB   GLN  67          HB3       GLN  67  13.443   7.446   4.354
  510   1HG   GLN  67          HG2       GLN  67  15.808   8.334   4.453
  511   2HG   GLN  67          HG3       GLN  67  16.228   7.271   3.114
  512   1HE2  GLN  67          HE22      GLN  67  16.419   8.511   1.212
  513   2HE2  GLN  67          HE21      GLN  67  15.296   9.790   0.809
  514    H    GLY  68           H        GLY  68  13.906   3.685   4.172
  515   1HA   GLY  68          HA2       GLY  68  12.968   2.025   5.891
  516   2HA   GLY  68          HA3       GLY  68  11.693   3.224   6.113
  517    H    CYS  69           H        CYS  69  12.377   3.575   2.939
  518    HA   CYS  69           HA       CYS  69   9.797   2.510   2.200
  519   1HB   CYS  69          HB2       CYS  69  12.031   4.013   0.801
  520   2HB   CYS  69          HB3       CYS  69  10.559   3.478  -0.034
  521    HG   CYS  69           HG       CYS  69   8.890   4.800   1.175
  522    H    ASP  70           H        ASP  70   9.405   0.515   1.422
  523    HA   ASP  70           HA       ASP  70  11.506  -1.188   0.265
  524   1HB   ASP  70          HB2       ASP  70   9.667  -2.213   1.544
  525   2HB   ASP  70          HB3       ASP  70   8.478  -1.487   0.456
  526    H    CYS  71           H        CYS  71  11.630  -1.631  -2.042
  527    HA   CYS  71           HA       CYS  71  10.187   0.240  -3.825
  528   1HB   CYS  71          HB2       CYS  71  13.229   0.065  -3.552
  529   2HB   CYS  71          HB3       CYS  71  12.335   1.021  -4.745
  530    HG   CYS  71           HG       CYS  71  12.285   1.293  -1.446
  531    H    GLU  72           H        GLU  72  10.779  -0.123  -6.160
  532    HA   GLU  72           HA       GLU  72  12.108  -2.663  -6.856
  533   1HB   GLU  72          HB2       GLU  72   9.218  -1.976  -7.600
  534   2HB   GLU  72          HB3       GLU  72  10.175  -3.169  -8.457
  535   1HG   GLU  72          HG2       GLU  72   9.304  -3.326  -5.548
  536   2HG   GLU  72          HG3       GLU  72   8.600  -4.185  -6.906
  537    H    CYS  73           H        CYS  73  13.281  -2.292  -8.799
  538    HA   CYS  73           HA       CYS  73  12.994   0.258 -10.210
  539   1HB   CYS  73          HB2       CYS  73  14.541  -0.983 -11.883
  540   2HB   CYS  73          HB3       CYS  73  15.216  -0.494 -10.340
  541    HG   CYS  73           HG       CYS  73  16.025  -2.930 -11.213
  542    H    LEU  74           H        LEU  74  11.256   0.583 -11.520
  543    HA   LEU  74           HA       LEU  74   9.567  -1.643 -12.382
  544   1HB   LEU  74          HB2       LEU  74   9.524   1.308 -13.149
  545   2HB   LEU  74          HB3       LEU  74   8.311   0.110 -13.572
  546    HG   LEU  74           HG       LEU  74   8.930   1.180 -10.797
  547   1HD1  LEU  74          HD11      LEU  74   6.610   1.982 -10.900
  548   2HD1  LEU  74          HD12      LEU  74   7.524   2.589 -12.287
  549   3HD1  LEU  74          HD13      LEU  74   6.395   1.237 -12.496
  550   1HD2  LEU  74          HD21      LEU  74   7.078  -1.119 -11.568
  551   2HD2  LEU  74          HD22      LEU  74   8.458  -1.172 -10.442
  552   3HD2  LEU  74          HD23      LEU  74   7.010  -0.266 -10.015
  553    H    GLY  75           H        GLY  75  12.268   0.209 -13.669
  554   1HA   GLY  75          HA2       GLY  75  13.093  -1.670 -15.501
  555   2HA   GLY  75          HA3       GLY  75  12.056  -0.570 -16.422
  556    H    GLY  76           H        GLY  76  14.300  -0.170 -17.457
  557   1HA   GLY  76          HA2       GLY  76  15.152   2.424 -16.490
  558   2HA   GLY  76          HA3       GLY  76  16.432   1.204 -16.372
  559    H    GLY  77           H        GLY  77  17.377   2.826 -17.945
  560   1HA   GLY  77          HA2       GLY  77  17.431   1.918 -20.620
  561   2HA   GLY  77          HA3       GLY  77  16.336   3.313 -20.511
  562    H    ARG  78           H        ARG  78  17.876   4.600 -21.737
  563    HA   ARG  78           HA       ARG  78  20.207   5.496 -20.127
  564   1HB   ARG  78          HB2       ARG  78  20.813   3.922 -21.984
  565   2HB   ARG  78          HB3       ARG  78  20.188   5.112 -23.145
  566   1HG   ARG  78          HG2       ARG  78  21.901   6.755 -22.223
  567   2HG   ARG  78          HG3       ARG  78  22.505   5.452 -21.193
  568   1HD   ARG  78          HD2       ARG  78  22.591   5.657 -24.211
  569   2HD   ARG  78          HD3       ARG  78  23.941   5.674 -23.087
  570    HE   ARG  78           HE       ARG  78  23.649   3.340 -22.639
  571   1HH1  ARG  78          HH11      ARG  78  21.810   4.491 -25.462
  572   2HH1  ARG  78          HH12      ARG  78  21.542   2.884 -26.087
  573   1HH2  ARG  78          HH21      ARG  78  23.207   1.216 -23.483
  574   2HH2  ARG  78          HH22      ARG  78  22.262   1.047 -24.935
  575    H    ILE  79           H        ILE  79  20.845   7.652 -20.489
  576    HA   ILE  79           HA       ILE  79  18.730   9.442 -21.533
  577    HB   ILE  79           HB       ILE  79  20.233   9.454 -18.884
  578   1HG1  ILE  79          HG12      ILE  79  17.312   9.687 -19.746
  579   2HG1  ILE  79          HG13      ILE  79  18.061   8.315 -18.951
  580   1HG2  ILE  79          HG21      ILE  79  19.401  11.783 -18.507
  581   2HG2  ILE  79          HG22      ILE  79  20.520  11.731 -19.852
  582   3HG2  ILE  79          HG23      ILE  79  18.767  11.803 -20.167
  583   1HD1  ILE  79          HD11      ILE  79  18.429   9.807 -16.918
  584   2HD1  ILE  79          HD12      ILE  79  17.420  11.029 -17.732
  585   3HD1  ILE  79          HD13      ILE  79  16.733   9.458 -17.324
  586    H    SER  80           H        SER  80  19.522  11.187 -22.663
  587    HA   SER  80           HA       SER  80  22.375  11.756 -22.879
  588   1HB   SER  80          HB2       SER  80  20.783  10.658 -25.252
  589   2HB   SER  80          HB3       SER  80  22.438  11.282 -25.318
  590    HG   SER  80           HG       SER  80  22.222   9.403 -23.400
  591    H    HIS  81           H        HIS  81  22.651  13.727 -24.296
  592    HA   HIS  81           HA       HIS  81  20.290  15.472 -24.317
  593   1HB   HIS  81          HB2       HIS  81  21.908  16.947 -25.689
  594   2HB   HIS  81          HB3       HIS  81  22.214  16.691 -23.982
  595    HD1  HIS  81           HD1      HIS  81  24.749  16.628 -23.660
  596    HD2  HIS  81           HD2      HIS  81  23.416  14.575 -27.098
  597    HE1  HIS  81           HE1      HIS  81  26.799  15.503 -24.680
  598    H    GLN  82           H        GLN  82  19.407  16.332 -26.333
  599    HA   GLN  82           HA       GLN  82  18.778  14.434 -28.340
  600   1HB   GLN  82          HB2       GLN  82  18.423  17.387 -27.865
  601   2HB   GLN  82          HB3       GLN  82  18.191  16.837 -29.503
  602   1HG   GLN  82          HG2       GLN  82  16.763  15.557 -27.135
  603   2HG   GLN  82          HG3       GLN  82  16.124  16.944 -28.008
  604   1HE2  GLN  82          HE22      GLN  82  14.539  14.698 -27.936
  605   2HE2  GLN  82          HE21      GLN  82  14.520  13.953 -29.523
  606    H    SER  83           H        SER  83  21.556  16.506 -28.026
  607    HA   SER  83           HA       SER  83  23.492  16.679 -29.142
  608   1HB   SER  83          HB2       SER  83  22.490  14.781 -31.292
  609   2HB   SER  83          HB3       SER  83  24.149  15.305 -30.993
  610    HG   SER  83           HG       SER  83  23.696  13.239 -30.102
  611    H    GLN  84           H        GLN  84  20.662  16.645 -31.369
  612    HA   GLN  84           HA       GLN  84  21.548  18.945 -32.883
  613   1HB   GLN  84          HB2       GLN  84  19.259  19.007 -33.728
  614   2HB   GLN  84          HB3       GLN  84  19.929  17.378 -33.806
  615   1HG   GLN  84          HG2       GLN  84  18.659  16.761 -31.759
  616   2HG   GLN  84          HG3       GLN  84  17.947  18.376 -31.700
  617   1HE2  GLN  84          HE22      GLN  84  16.616  15.707 -31.964
  618   2HE2  GLN  84          HE21      GLN  84  15.705  15.793 -33.457
  619    H    ASP  85           H        ASP  85  20.339  18.542 -29.676
  620    HA   ASP  85           HA       ASP  85  20.492  21.369 -29.144
  621   1HB   ASP  85          HB2       ASP  85  18.039  20.905 -29.843
  622   2HB   ASP  85          HB3       ASP  85  17.917  19.918 -28.390
  623    H    LYS  86           H        LYS  86  20.385  21.587 -26.646
  624    HA   LYS  86           HA       LYS  86  21.761  19.322 -25.362
  625   1HB   LYS  86          HB2       LYS  86  20.951  22.111 -24.430
  626   2HB   LYS  86          HB3       LYS  86  21.681  20.926 -23.356
  627   1HG   LYS  86          HG2       LYS  86  23.018  21.970 -25.893
  628   2HG   LYS  86          HG3       LYS  86  23.297  22.580 -24.258
  629   1HD   LYS  86          HD2       LYS  86  24.027  20.283 -23.556
  630   2HD   LYS  86          HD3       LYS  86  23.905  19.758 -25.249
  631   1HE   LYS  86          HE2       LYS  86  25.564  21.463 -25.914
  632   2HE   LYS  86          HE3       LYS  86  25.655  22.041 -24.243
  633   1HZ   LYS  86          HZ1       LYS  86  27.465  20.541 -24.725
  634   2HZ   LYS  86          HZ2       LYS  86  26.495  19.863 -23.590
  635   3HZ   LYS  86          HZ3       LYS  86  26.448  19.336 -25.147
  636    H    LYS  87           H        LYS  87  18.499  20.417 -25.763
  637    HA   LYS  87           HA       LYS  87  17.094  19.619 -23.571
  638   1HB   LYS  87          HB2       LYS  87  16.196  20.441 -25.755
  639   2HB   LYS  87          HB3       LYS  87  16.463  18.836 -26.459
  640   1HG   LYS  87          HG2       LYS  87  14.891  17.867 -24.759
  641   2HG   LYS  87          HG3       LYS  87  14.644  19.489 -24.108
  642   1HD   LYS  87          HD2       LYS  87  13.858  18.479 -26.871
  643   2HD   LYS  87          HD3       LYS  87  12.782  18.858 -25.518
  644   1HE   LYS  87          HE2       LYS  87  13.663  21.261 -25.638
  645   2HE   LYS  87          HE3       LYS  87  14.460  20.811 -27.152
  646   1HZ   LYS  87          HZ1       LYS  87  12.220  20.214 -28.002
  647   2HZ   LYS  87          HZ2       LYS  87  11.553  20.764 -26.593
  648   3HZ   LYS  87          HZ3       LYS  87  12.329  21.793 -27.598
  649    H    ILE  88           H        ILE  88  16.649  17.738 -22.454
  650    HA   ILE  88           HA       ILE  88  18.456  15.534 -22.983
  651    HB   ILE  88           HB       ILE  88  16.277  15.888 -20.889
  652   1HG1  ILE  88          HG12      ILE  88  17.937  17.661 -20.686
  653   2HG1  ILE  88          HG13      ILE  88  18.037  16.548 -19.342
  654   1HG2  ILE  88          HG21      ILE  88  17.644  14.228 -19.557
  655   2HG2  ILE  88          HG22      ILE  88  16.832  13.529 -20.950
  656   3HG2  ILE  88          HG23      ILE  88  18.567  13.891 -21.039
  657   1HD1  ILE  88          HD11      ILE  88  19.955  16.590 -21.721
  658   2HD1  ILE  88          HD12      ILE  88  20.256  17.262 -20.115
  659   3HD1  ILE  88          HD13      ILE  88  20.071  15.515 -20.307
  660    H    HIS  89           H        HIS  89  17.797  13.283 -23.207
  661    HA   HIS  89           HA       HIS  89  15.108  12.765 -24.281
  662   1HB   HIS  89          HB2       HIS  89  16.794  13.208 -26.143
  663   2HB   HIS  89          HB3       HIS  89  17.674  11.782 -25.586
  664    HD1  HIS  89           HD1      HIS  89  14.122  12.697 -26.839
  665    HD2  HIS  89           HD2      HIS  89  16.876   9.518 -26.698
  666    HE1  HIS  89           HE1      HIS  89  13.098  10.789 -28.211
  667    H    VAL  90           H        VAL  90  14.480  10.561 -23.880
  668    HA   VAL  90           HA       VAL  90  16.274   8.913 -22.166
  669    HB   VAL  90           HB       VAL  90  13.275   9.220 -21.739
  670   1HG1  VAL  90          HG11      VAL  90  13.756   8.209 -19.562
  671   2HG1  VAL  90          HG12      VAL  90  14.400   7.183 -20.858
  672   3HG1  VAL  90          HG13      VAL  90  15.496   8.199 -19.912
  673   1HG2  VAL  90          HG21      VAL  90  14.102  11.436 -21.266
  674   2HG2  VAL  90          HG22      VAL  90  13.777  10.624 -19.738
  675   3HG2  VAL  90          HG23      VAL  90  15.452  10.799 -20.308
  676    H    TYR  91           H        TYR  91  16.411   6.797 -22.964
  677    HA   TYR  91           HA       TYR  91  14.335   5.711 -24.714
  678   1HB   TYR  91          HB2       TYR  91  15.511   5.769 -26.726
  679   2HB   TYR  91          HB3       TYR  91  15.638   7.391 -26.120
  680    HD1  TYR  91           HD1      TYR  91  17.949   7.627 -24.452
  681    HD2  TYR  91           HD2      TYR  91  17.380   5.033 -27.857
  682    HE1  TYR  91           HE1      TYR  91  20.391   7.490 -24.750
  683    HE2  TYR  91           HE2      TYR  91  19.826   4.916 -28.180
  684    HH   TYR  91           HH       TYR  91  21.910   5.703 -27.470
  685    H    GLY  92           H        GLY  92  15.391   3.625 -25.844
  686   1HA   GLY  92          HA2       GLY  92  16.585   1.650 -25.663
  687   2HA   GLY  92          HA3       GLY  92  17.590   2.384 -24.410
  688    H    TYR  93           H        TYR  93  17.435   0.270 -23.360
  689    HA   TYR  93           HA       TYR  93  15.162   0.047 -21.537
  690   1HB   TYR  93          HB2       TYR  93  14.841  -2.333 -22.051
  691   2HB   TYR  93          HB3       TYR  93  14.433  -1.334 -23.433
  692    HD1  TYR  93           HD1      TYR  93  16.570  -4.015 -22.175
  693    HD2  TYR  93           HD2      TYR  93  15.960  -1.265 -25.445
  694    HE1  TYR  93           HE1      TYR  93  18.072  -5.374 -23.585
  695    HE2  TYR  93           HE2      TYR  93  17.452  -2.625 -26.868
  696    HH   TYR  93           HH       TYR  93  19.068  -5.612 -25.684
  697    H    SER  94           H        SER  94  15.761  -1.177 -19.631
  698    HA   SER  94           HA       SER  94  18.621  -1.402 -19.129
  699   1HB   SER  94          HB2       SER  94  17.121  -0.814 -17.291
  700   2HB   SER  94          HB3       SER  94  16.183  -2.297 -17.544
  701    HG   SER  94           HG       SER  94  18.782  -1.984 -16.520
  702    H    MET  95           H        MET  95  19.846  -3.213 -19.562
  703    HA   MET  95           HA       MET  95  18.730  -5.588 -20.738
  704   1HB   MET  95          HB2       MET  95  21.079  -4.770 -21.035
  705   2HB   MET  95          HB3       MET  95  21.415  -5.188 -19.347
  706   1HG   MET  95          HG2       MET  95  20.952  -7.564 -19.838
  707   2HG   MET  95          HG3       MET  95  20.476  -7.142 -21.484
  708   1HE   MET  95          HE1       MET  95  23.384  -7.652 -18.935
  709   2HE   MET  95          HE2       MET  95  24.820  -7.136 -19.844
  710   3HE   MET  95          HE3       MET  95  23.643  -5.928 -19.294
  711    H    ALA  96           H        ALA  96  19.199  -4.493 -17.401
  712    HA   ALA  96           HA       ALA  96  18.981  -7.195 -16.270
  713   1HB   ALA  96          HB1       ALA  96  20.540  -5.542 -15.295
  714   2HB   ALA  96          HB2       ALA  96  19.175  -4.450 -14.949
  715   3HB   ALA  96          HB3       ALA  96  19.290  -6.019 -14.132
  716    H    TYR  97           H        TYR  97  16.990  -4.224 -16.541
  717    HA   TYR  97           HA       TYR  97  14.757  -5.639 -15.153
  718   1HB   TYR  97          HB2       TYR  97  15.358  -2.672 -15.198
  719   2HB   TYR  97          HB3       TYR  97  14.198  -3.512 -14.175
  720    HD1  TYR  97           HD1      TYR  97  17.090  -1.791 -13.888
  721    HD2  TYR  97           HD2      TYR  97  15.595  -5.740 -12.984
  722    HE1  TYR  97           HE1      TYR  97  18.791  -2.031 -12.108
  723    HE2  TYR  97           HE2      TYR  97  17.322  -6.007 -11.245
  724    HH   TYR  97           HH       TYR  97  19.115  -5.040 -10.149
  725    H    GLY  98           H        GLY  98  15.492  -4.683 -18.265
  726   1HA   GLY  98          HA2       GLY  98  14.128  -4.568 -20.104
  727   2HA   GLY  98          HA3       GLY  98  12.698  -4.693 -19.073
  728    HA   PRO  99           HA       PRO  99  13.240  -0.258 -20.541
  729   1HB   PRO  99          HB2       PRO  99  10.892   0.005 -21.946
  730   2HB   PRO  99          HB3       PRO  99  12.410  -0.580 -22.677
  731   1HG   PRO  99          HG2       PRO  99  10.071  -2.208 -21.660
  732   2HG   PRO  99          HG3       PRO  99  11.001  -2.425 -23.176
  733   1HD   PRO  99          HD2       PRO  99  11.455  -3.908 -20.908
  734   2HD   PRO  99          HD3       PRO  99  12.766  -3.483 -22.046
  735    H    ALA 100           H        ALA 100  12.486   1.318 -19.230
  736    HA   ALA 100           HA       ALA 100  10.416   0.812 -17.221
  737   1HB   ALA 100          HB1       ALA 100  11.764   3.382 -18.115
  738   2HB   ALA 100          HB2       ALA 100  10.915   3.127 -16.581
  739   3HB   ALA 100          HB3       ALA 100  12.443   2.311 -16.872
  740    H    GLN 101           H        GLN 101   8.640   2.690 -17.115
  741    HA   GLN 101           HA       GLN 101   6.995   2.674 -19.460
  742   1HB   GLN 101          HB2       GLN 101   7.073   4.593 -17.090
  743   2HB   GLN 101          HB3       GLN 101   5.814   4.592 -18.320
  744   1HG   GLN 101          HG2       GLN 101   6.402   2.339 -16.362
  745   2HG   GLN 101          HG3       GLN 101   5.056   3.480 -16.314
  746   1HE2  GLN 101          HE22      GLN 101   3.445   3.402 -18.149
  747   2HE2  GLN 101          HE21      GLN 101   3.179   1.877 -18.951
  748    H    HIS 102           H        HIS 102   9.557   4.818 -18.375
  749    HA   HIS 102           HA       HIS 102  10.591   6.613 -19.069
  750   1HB   HIS 102          HB2       HIS 102   9.747   5.690 -21.805
  751   2HB   HIS 102          HB3       HIS 102  10.938   6.957 -21.498
  752    HD1  HIS 102           HD1      HIS 102  10.904   3.366 -22.181
  753    HD2  HIS 102           HD2      HIS 102  12.917   5.934 -19.533
  754    HE1  HIS 102           HE1      HIS 102  12.996   2.124 -21.417
  755    H    ALA 103           H        ALA 103   7.266   6.586 -20.393
  756    HA   ALA 103           HA       ALA 103   6.934   9.346 -20.755
  757   1HB   ALA 103          HB1       ALA 103   4.980   7.265 -19.667
  758   2HB   ALA 103          HB2       ALA 103   4.541   8.886 -20.261
  759   3HB   ALA 103          HB3       ALA 103   5.245   7.706 -21.377
  760    H    ILE 104           H        ILE 104   6.689   7.404 -17.755
  761    HA   ILE 104           HA       ILE 104   6.041   9.402 -15.872
  762    HB   ILE 104           HB       ILE 104   7.928   7.033 -15.631
  763   1HG1  ILE 104          HG12      ILE 104   5.656   6.335 -16.340
  764   2HG1  ILE 104          HG13      ILE 104   6.188   5.670 -14.804
  765   1HG2  ILE 104          HG21      ILE 104   6.619   8.658 -13.418
  766   2HG2  ILE 104          HG22      ILE 104   7.377   7.069 -13.174
  767   3HG2  ILE 104          HG23      ILE 104   8.352   8.431 -13.723
  768   1HD1  ILE 104          HD11      ILE 104   4.274   8.024 -15.088
  769   2HD1  ILE 104          HD12      ILE 104   3.807   6.333 -14.806
  770   3HD1  ILE 104          HD13      ILE 104   4.738   7.198 -13.575
  771    H    SER 105           H        SER 105   9.268   8.284 -17.053
  772    HA   SER 105           HA       SER 105  10.827   9.899 -15.464
  773   1HB   SER 105          HB2       SER 105  11.488   8.943 -18.277
  774   2HB   SER 105          HB3       SER 105  12.597   9.264 -16.954
  775    HG   SER 105           HG       SER 105  12.156   7.018 -16.987
  776    H    THR 106           H        THR 106   9.762  10.540 -18.861
  777    HA   THR 106           HA       THR 106  10.788  13.154 -19.024
  778    HB   THR 106           HB       THR 106   8.624  13.437 -20.584
  779    HG1  THR 106           HG1      THR 106   7.748  11.369 -19.825
  780   1HG2  THR 106          HG21      THR 106  11.044  11.682 -21.143
  781   2HG2  THR 106          HG22      THR 106   9.897  12.243 -22.385
  782   3HG2  THR 106          HG23      THR 106  10.839  13.418 -21.476
  783    H    GLU 107           H        GLU 107   7.523  12.166 -17.728
  784    HA   GLU 107           HA       GLU 107   6.682  14.858 -17.378
  785   1HB   GLU 107          HB2       GLU 107   5.793  12.234 -16.119
  786   2HB   GLU 107          HB3       GLU 107   5.049  13.787 -15.715
  787   1HG   GLU 107          HG2       GLU 107   4.509  14.174 -18.102
  788   2HG   GLU 107          HG3       GLU 107   5.192  12.608 -18.523
  789    H    LYS 108           H        LYS 108   8.293  12.577 -15.089
  790    HA   LYS 108           HA       LYS 108   8.215  14.456 -12.901
  791   1HB   LYS 108          HB2       LYS 108  10.018  12.039 -13.405
  792   2HB   LYS 108          HB3       LYS 108   9.963  12.964 -11.908
  793   1HG   LYS 108          HG2       LYS 108   7.742  11.232 -13.022
  794   2HG   LYS 108          HG3       LYS 108   8.708  10.995 -11.570
  795   1HD   LYS 108          HD2       LYS 108   7.678  13.380 -10.893
  796   2HD   LYS 108          HD3       LYS 108   6.472  12.962 -12.107
  797   1HE   LYS 108          HE2       LYS 108   5.637  12.314  -9.970
  798   2HE   LYS 108          HE3       LYS 108   6.013  10.823 -10.844
  799   1HZ   LYS 108          HZ1       LYS 108   6.795  11.084  -8.418
  800   2HZ   LYS 108          HZ2       LYS 108   7.899  10.488  -9.467
  801   3HZ   LYS 108          HZ3       LYS 108   7.990  12.040  -8.997
  802    H    ILE 109           H        ILE 109  10.715  13.776 -15.407
  803    HA   ILE 109           HA       ILE 109  12.628  15.617 -14.350
  804    HB   ILE 109           HB       ILE 109  12.099  14.468 -17.097
  805   1HG1  ILE 109          HG12      ILE 109  14.495  14.084 -15.248
  806   2HG1  ILE 109          HG13      ILE 109  13.064  13.062 -15.167
  807   1HG2  ILE 109          HG21      ILE 109  14.262  15.412 -17.877
  808   2HG2  ILE 109          HG22      ILE 109  13.148  16.710 -17.464
  809   3HG2  ILE 109          HG23      ILE 109  14.442  16.265 -16.345
  810   1HD1  ILE 109          HD11      ILE 109  14.723  11.923 -16.476
  811   2HD1  ILE 109          HD12      ILE 109  13.426  12.424 -17.578
  812   3HD1  ILE 109          HD13      ILE 109  14.964  13.317 -17.532
  813    H    LYS 110           H        LYS 110   9.910  16.140 -16.747
  814    HA   LYS 110           HA       LYS 110  10.472  18.931 -17.008
  815   1HB   LYS 110          HB2       LYS 110   7.886  17.365 -17.416
  816   2HB   LYS 110          HB3       LYS 110   8.051  19.097 -17.756
  817   1HG   LYS 110          HG2       LYS 110   9.903  18.644 -19.327
  818   2HG   LYS 110          HG3       LYS 110   9.722  16.910 -19.023
  819   1HD   LYS 110          HD2       LYS 110   7.455  16.933 -19.951
  820   2HD   LYS 110          HD3       LYS 110   7.580  18.687 -20.243
  821   1HE   LYS 110          HE2       LYS 110   9.530  18.312 -21.731
  822   2HE   LYS 110          HE3       LYS 110   9.470  16.582 -21.410
  823   1HZ   LYS 110          HZ1       LYS 110   7.358  18.125 -22.809
  824   2HZ   LYS 110          HZ2       LYS 110   8.423  17.094 -23.498
  825   3HZ   LYS 110          HZ3       LYS 110   7.281  16.526 -22.484
  826    H    ALA 111           H        ALA 111   8.531  17.188 -14.528
  827    HA   ALA 111           HA       ALA 111   7.474  19.548 -13.338
  828   1HB   ALA 111          HB1       ALA 111   7.082  18.152 -11.370
  829   2HB   ALA 111          HB2       ALA 111   6.651  17.262 -12.842
  830   3HB   ALA 111          HB3       ALA 111   8.171  16.901 -11.989
  831    H    LYS 112           H        LYS 112  10.593  17.825 -12.802
  832    HA   LYS 112           HA       LYS 112  11.283  19.683 -10.639
  833   1HB   LYS 112          HB2       LYS 112  12.655  17.234 -11.783
  834   2HB   LYS 112          HB3       LYS 112  13.353  18.207 -10.494
  835   1HG   LYS 112          HG2       LYS 112  10.670  16.768 -10.394
  836   2HG   LYS 112          HG3       LYS 112  12.153  16.248  -9.602
  837   1HD   LYS 112          HD2       LYS 112  10.463  18.675  -8.903
  838   2HD   LYS 112          HD3       LYS 112  10.664  17.196  -7.973
  839   1HE   LYS 112          HE2       LYS 112  13.082  17.706  -7.655
  840   2HE   LYS 112          HE3       LYS 112  12.886  19.203  -8.575
  841   1HZ   LYS 112          HZ1       LYS 112  11.522  18.599  -6.014
  842   2HZ   LYS 112          HZ2       LYS 112  12.783  19.610  -6.203
  843   3HZ   LYS 112          HZ3       LYS 112  11.345  19.980  -6.870
  844    H    TYR 113           H        TYR 113  11.959  19.532 -14.026
  845    HA   TYR 113           HA       TYR 113  13.339  20.584 -15.401
  846   1HB   TYR 113          HB2       TYR 113  13.011  22.870 -13.437
  847   2HB   TYR 113          HB3       TYR 113  13.701  23.015 -15.044
  848    HD1  TYR 113           HD1      TYR 113  12.274  22.228 -17.069
  849    HD2  TYR 113           HD2      TYR 113  10.669  23.238 -13.191
  850    HE1  TYR 113           HE1      TYR 113  10.085  22.706 -18.111
  851    HE2  TYR 113           HE2      TYR 113   8.471  23.726 -14.223
  852    HH   TYR 113           HH       TYR 113   7.883  23.398 -17.758
  853    HA   PRO 114           HA       PRO 114  17.382  20.030 -13.110
  854   1HB   PRO 114          HB2       PRO 114  18.200  17.654 -14.156
  855   2HB   PRO 114          HB3       PRO 114  17.160  17.743 -12.698
  856   1HG   PRO 114          HG2       PRO 114  16.324  17.281 -15.566
  857   2HG   PRO 114          HG3       PRO 114  15.821  16.361 -14.110
  858   1HD   PRO 114          HD2       PRO 114  14.308  18.377 -15.213
  859   2HD   PRO 114          HD3       PRO 114  14.325  18.042 -13.454
  860    H    ASP 115           H        ASP 115  15.923  19.878 -16.264
  861    HA   ASP 115           HA       ASP 115  17.931  21.599 -17.428
  862   1HB   ASP 115          HB2       ASP 115  18.668  19.306 -18.178
  863   2HB   ASP 115          HB3       ASP 115  17.056  19.049 -18.858
  864    H    TYR 116           H        TYR 116  16.834  22.539 -19.496
  865    HA   TYR 116           HA       TYR 116  14.430  23.659 -18.670
  866   1HB   TYR 116          HB2       TYR 116  15.551  23.524 -21.495
  867   2HB   TYR 116          HB3       TYR 116  14.380  24.691 -20.897
  868    HD1  TYR 116           HD1      TYR 116  15.080  26.284 -18.992
  869    HD2  TYR 116           HD2      TYR 116  17.904  23.936 -21.263
  870    HE1  TYR 116           HE1      TYR 116  16.911  27.784 -18.261
  871    HE2  TYR 116           HE2      TYR 116  19.737  25.425 -20.538
  872    HH   TYR 116           HH       TYR 116  20.326  27.302 -19.286
  873    H    GLU 117           H        GLU 117  14.883  20.845 -20.883
  874    HA   GLU 117           HA       GLU 117  12.144  20.074 -20.509
  875   1HB   GLU 117          HB2       GLU 117  12.019  21.876 -22.328
  876   2HB   GLU 117          HB3       GLU 117  12.921  20.787 -23.373
  877   1HG   GLU 117          HG2       GLU 117  11.085  19.172 -23.318
  878   2HG   GLU 117          HG3       GLU 117  10.272  20.109 -22.049
  879    H    VAL 118           H        VAL 118  11.778  18.011 -22.011
  880    HA   VAL 118           HA       VAL 118  14.180  16.523 -22.590
  881    HB   VAL 118           HB       VAL 118  14.047  16.273 -20.182
  882   1HG1  VAL 118          HG11      VAL 118  11.155  15.497 -20.618
  883   2HG1  VAL 118          HG12      VAL 118  12.047  15.076 -19.162
  884   3HG1  VAL 118          HG13      VAL 118  11.853  16.775 -19.592
  885   1HG2  VAL 118          HG21      VAL 118  14.686  14.241 -21.537
  886   2HG2  VAL 118          HG22      VAL 118  14.091  13.917 -19.905
  887   3HG2  VAL 118          HG23      VAL 118  13.044  13.640 -21.301
  888    H    THR 119           H        THR 119  13.540  14.392 -23.561
  889    HA   THR 119           HA       THR 119  10.754  14.179 -24.537
  890    HB   THR 119           HB       THR 119  11.824  13.629 -26.816
  891    HG1  THR 119           HG1      THR 119  13.995  15.001 -25.576
  892   1HG2  THR 119          HG21      THR 119  10.525  15.653 -26.463
  893   2HG2  THR 119          HG22      THR 119  11.954  16.514 -25.853
  894   3HG2  THR 119          HG23      THR 119  11.897  15.958 -27.543
  895    H    TRP 120           H        TRP 120  10.605  11.891 -25.723
  896    HA   TRP 120           HA       TRP 120  12.625  10.031 -24.789
  897   1HB   TRP 120          HB2       TRP 120  11.230   8.492 -23.646
  898   2HB   TRP 120          HB3       TRP 120  10.982  10.040 -22.885
  899    HD1  TRP 120           HD1      TRP 120   8.580  11.301 -23.997
  900    HE1  TRP 120           HE1      TRP 120   6.266  10.224 -24.017
  901    HE3  TRP 120           HE3      TRP 120   9.999   6.393 -24.063
  902    HZ2  TRP 120           HZ2      TRP 120   5.155   7.548 -24.101
  903    HZ3  TRP 120           HZ3      TRP 120   8.292   4.601 -24.048
  904    HH2  TRP 120           HH2      TRP 120   5.873   5.159 -24.079
  905    H    ALA 121           H        ALA 121  12.195   7.799 -25.625
  906    HA   ALA 121           HA       ALA 121  10.299   7.615 -27.838
  907   1HB   ALA 121          HB1       ALA 121  12.022   6.581 -29.337
  908   2HB   ALA 121          HB2       ALA 121  12.398   8.281 -28.995
  909   3HB   ALA 121          HB3       ALA 121  13.286   6.985 -28.157
  910    H    ASN 122           H        ASN 122   9.589   5.477 -28.075
  911    HA   ASN 122           HA       ASN 122   9.991   3.839 -25.679
  912   1HB   ASN 122          HB2       ASN 122   7.728   4.499 -26.577
  913   2HB   ASN 122          HB3       ASN 122   8.047   3.497 -27.994
  914   1HD2  ASN 122          HD22      ASN 122   6.351   1.971 -27.577
  915   2HD2  ASN 122          HD21      ASN 122   6.377   0.900 -26.201
  916    H    ASP 123           H        ASP 123  12.261   3.863 -27.462
  917    HA   ASP 123           HA       ASP 123  12.619   1.046 -27.989
  918   1HB   ASP 123          HB2       ASP 123  11.446   2.108 -30.110
  919   2HB   ASP 123          HB3       ASP 123  13.022   2.877 -30.358
  920    H    GLY 124           H        GLY 124  14.896   0.925 -29.144
  921   1HA   GLY 124          HA2       GLY 124  16.942   2.444 -29.488
  922   2HA   GLY 124          HA3       GLY 124  16.799   2.769 -27.757
  923    H    TYR 125           H        TYR 125  19.126   1.834 -28.261
  924    HA   TYR 125           HA       TYR 125  19.213  -0.834 -27.097
  925   1HB   TYR 125          HB2       TYR 125  20.720  -0.084 -29.647
  926   2HB   TYR 125          HB3       TYR 125  21.077  -1.476 -28.642
  927    HD1  TYR 125           HD1      TYR 125  18.913  -0.160 -31.273
  928    HD2  TYR 125           HD2      TYR 125  19.421  -3.359 -28.422
  929    HE1  TYR 125           HE1      TYR 125  17.278  -1.533 -32.531
  930    HE2  TYR 125           HE2      TYR 125  17.788  -4.740 -29.666
  931    HH   TYR 125           HH       TYR 125  16.355  -4.855 -31.502
  Start of MODEL   15
    1   1H    MET   1          H1        MET   1  10.303  12.604  16.807
    2   2H    MET   1          H2        MET   1  10.622  14.129  17.326
    3   3H    MET   1          H3        MET   1   9.105  13.713  16.866
    4    HA   MET   1           HA       MET   1  10.118  15.027  15.164
    5   1HB   MET   1          HB2       MET   1  12.467  14.410  15.711
    6   2HB   MET   1          HB3       MET   1  12.200  12.797  15.049
    7   1HG   MET   1          HG2       MET   1  13.358  14.263  13.456
    8   2HG   MET   1          HG3       MET   1  11.816  13.712  12.830
    9   1HE   MET   1          HE1       MET   1  13.994  16.706  14.011
   10   2HE   MET   1          HE2       MET   1  12.842  18.055  14.106
   11   3HE   MET   1          HE3       MET   1  12.778  16.751  15.309
   12    H    ALA   2           H        ALA   2   8.843  14.820  13.377
   13    HA   ALA   2           HA       ALA   2   7.264  12.478  12.933
   14   1HB   ALA   2          HB1       ALA   2   6.517  14.755  12.326
   15   2HB   ALA   2          HB2       ALA   2   7.817  14.867  11.113
   16   3HB   ALA   2          HB3       ALA   2   6.509  13.684  10.913
   17    H    VAL   3           H        VAL   3   7.337  10.956  11.213
   18    HA   VAL   3           HA       VAL   3   9.931  10.172  10.254
   19    HB   VAL   3           HB       VAL   3   8.645   8.449   9.073
   20   1HG1  VAL   3          HG11      VAL   3   7.831   7.256  10.999
   21   2HG1  VAL   3          HG12      VAL   3   9.228   8.221  11.513
   22   3HG1  VAL   3          HG13      VAL   3   7.588   8.754  11.916
   23   1HG2  VAL   3          HG21      VAL   3   6.095   9.713  10.180
   24   2HG2  VAL   3          HG22      VAL   3   6.587   9.732   8.475
   25   3HG2  VAL   3          HG23      VAL   3   6.238   8.198   9.271
   26    H    ALA   4           H        ALA   4  10.452   9.926   7.912
   27    HA   ALA   4           HA       ALA   4   9.832  12.285   6.328
   28   1HB   ALA   4          HB1       ALA   4  12.017  11.108   6.151
   29   2HB   ALA   4          HB2       ALA   4  11.185   9.679   5.498
   30   3HB   ALA   4          HB3       ALA   4  11.176  11.201   4.596
   31    H    ASP   5           H        ASP   5   9.062  11.708   3.897
   32    HA   ASP   5           HA       ASP   5   6.751   9.872   3.904
   33   1HB   ASP   5          HB2       ASP   5   5.854  11.955   4.878
   34   2HB   ASP   5          HB3       ASP   5   6.546  12.896   3.555
   35    H    LEU   6           H        LEU   6   5.947   9.566   1.715
   36    HA   LEU   6           HA       LEU   6   7.916   9.274  -0.241
   37   1HB   LEU   6          HB2       LEU   6   4.883   9.486  -0.440
   38   2HB   LEU   6          HB3       LEU   6   5.920   9.075  -1.781
   39    HG   LEU   6           HG       LEU   6   5.536   7.410   0.714
   40   1HD1  LEU   6          HD11      LEU   6   4.533   5.814  -0.911
   41   2HD1  LEU   6          HD12      LEU   6   3.655   7.351  -0.858
   42   3HD1  LEU   6          HD13      LEU   6   4.740   6.998  -2.208
   43   1HD2  LEU   6          HD21      LEU   6   7.392   6.980  -1.661
   44   2HD2  LEU   6          HD22      LEU   6   7.809   7.032   0.070
   45   3HD2  LEU   6          HD23      LEU   6   6.884   5.682  -0.570
   46    H    ALA   7           H        ALA   7   5.857  12.137   0.351
   47    HA   ALA   7           HA       ALA   7   6.458  13.369  -2.163
   48   1HB   ALA   7          HB1       ALA   7   4.448  13.923  -0.830
   49   2HB   ALA   7          HB2       ALA   7   5.488  14.596   0.451
   50   3HB   ALA   7          HB3       ALA   7   5.436  15.361  -1.150
   51    H    LEU   8           H        LEU   8   8.198  13.075   0.858
   52    HA   LEU   8           HA       LEU   8   9.865  15.472   0.401
   53   1HB   LEU   8          HB2       LEU   8   9.924  13.378   2.612
   54   2HB   LEU   8          HB3       LEU   8  10.908  14.831   2.553
   55    HG   LEU   8           HG       LEU   8   7.865  14.792   2.760
   56   1HD1  LEU   8          HD11      LEU   8   9.996  15.433   4.842
   57   2HD1  LEU   8          HD12      LEU   8   8.237  15.580   5.063
   58   3HD1  LEU   8          HD13      LEU   8   8.960  13.989   4.805
   59   1HD2  LEU   8          HD21      LEU   8   9.827  17.126   2.859
   60   2HD2  LEU   8          HD22      LEU   8   8.586  16.833   1.618
   61   3HD2  LEU   8          HD23      LEU   8   8.100  17.219   3.267
   62    H    ILE   9           H        ILE   9   9.919  12.039  -0.258
   63    HA   ILE   9           HA       ILE   9  12.710  11.605  -0.476
   64    HB   ILE   9           HB       ILE   9  10.406  10.456  -2.117
   65   1HG1  ILE   9          HG12      ILE   9  11.897   9.401   0.343
   66   2HG1  ILE   9          HG13      ILE   9  10.248  10.032   0.340
   67   1HG2  ILE   9          HG21      ILE   9  12.609  10.163  -3.262
   68   2HG2  ILE   9          HG22      ILE   9  13.242   9.409  -1.782
   69   3HG2  ILE   9          HG23      ILE   9  11.942   8.637  -2.710
   70   1HD1  ILE   9          HD11      ILE   9  10.063   7.680   0.395
   71   2HD1  ILE   9          HD12      ILE   9   9.625   8.169  -1.262
   72   3HD1  ILE   9          HD13      ILE   9  11.220   7.459  -0.919
   73    HA   PRO  10           HA       PRO  10  13.565  14.534  -3.858
   74   1HB   PRO  10          HB2       PRO  10  15.853  12.668  -4.442
   75   2HB   PRO  10          HB3       PRO  10  15.847  14.444  -4.288
   76   1HG   PRO  10          HG2       PRO  10  16.769  12.860  -2.267
   77   2HG   PRO  10          HG3       PRO  10  15.806  14.333  -1.925
   78   1HD   PRO  10          HD2       PRO  10  14.883  11.455  -1.942
   79   2HD   PRO  10          HD3       PRO  10  14.494  12.774  -0.795
   80    H    ASP  11           H        ASP  11  12.118  14.363  -5.446
   81    HA   ASP  11           HA       ASP  11  11.141  11.905  -6.412
   82   1HB   ASP  11          HB2       ASP  11   9.989  14.178  -6.163
   83   2HB   ASP  11          HB3       ASP  11  10.740  14.622  -7.699
   84    H    VAL  12           H        VAL  12  13.460  14.193  -7.777
   85    HA   VAL  12           HA       VAL  12  14.233  12.291  -9.889
   86    HB   VAL  12           HB       VAL  12  13.709  15.265 -10.372
   87   1HG1  VAL  12          HG11      VAL  12  14.110  14.702 -12.755
   88   2HG1  VAL  12          HG12      VAL  12  15.537  14.388 -11.767
   89   3HG1  VAL  12          HG13      VAL  12  14.515  13.035 -12.298
   90   1HG2  VAL  12          HG21      VAL  12  12.074  12.902 -11.360
   91   2HG2  VAL  12          HG22      VAL  12  11.532  14.177 -10.251
   92   3HG2  VAL  12          HG23      VAL  12  11.916  14.586 -11.919
   93    H    ASP  13           H        ASP  13  16.465  12.234  -9.961
   94    HA   ASP  13           HA       ASP  13  18.018  14.628  -9.429
   95   1HB   ASP  13          HB2       ASP  13  17.906  13.845  -7.120
   96   2HB   ASP  13          HB3       ASP  13  18.373  12.217  -7.607
   97    H    ILE  14           H        ILE  14  19.066  14.570 -11.350
   98    HA   ILE  14           HA       ILE  14  20.285  12.033 -12.245
   99    HB   ILE  14           HB       ILE  14  19.536  12.469 -14.545
  100   1HG1  ILE  14          HG12      ILE  14  17.534  14.471 -13.396
  101   2HG1  ILE  14          HG13      ILE  14  18.992  14.919 -14.290
  102   1HG2  ILE  14          HG21      ILE  14  18.394  10.855 -13.012
  103   2HG2  ILE  14          HG22      ILE  14  17.176  12.092 -12.653
  104   3HG2  ILE  14          HG23      ILE  14  17.358  11.453 -14.303
  105   1HD1  ILE  14          HD11      ILE  14  17.102  14.985 -15.786
  106   2HD1  ILE  14          HD12      ILE  14  18.154  13.638 -16.265
  107   3HD1  ILE  14          HD13      ILE  14  16.641  13.328 -15.379
  108    H    ASP  15           H        ASP  15  22.016  12.239 -13.566
  109    HA   ASP  15           HA       ASP  15  23.778  14.489 -13.163
  110   1HB   ASP  15          HB2       ASP  15  24.322  12.088 -13.231
  111   2HB   ASP  15          HB3       ASP  15  23.909  12.031 -14.948
  112    H    SER  16           H        SER  16  24.970  15.333 -15.181
  113    HA   SER  16           HA       SER  16  23.263  15.904 -17.529
  114   1HB   SER  16          HB2       SER  16  24.583  18.093 -15.866
  115   2HB   SER  16          HB3       SER  16  23.597  18.312 -17.318
  116    HG   SER  16           HG       SER  16  22.446  18.728 -15.378
  117    H    ASP  17           H        ASP  17  26.288  14.973 -16.288
  118    HA   ASP  17           HA       ASP  17  28.090  16.627 -17.654
  119   1HB   ASP  17          HB2       ASP  17  28.669  15.190 -15.761
  120   2HB   ASP  17          HB3       ASP  17  28.379  13.745 -16.738
  121    H    GLY  18           H        GLY  18  26.313  13.837 -18.936
  122   1HA   GLY  18          HA2       GLY  18  27.033  14.206 -21.647
  123   2HA   GLY  18          HA3       GLY  18  28.129  13.012 -20.928
  124    H    VAL  19           H        VAL  19  27.181  11.333 -22.245
  125    HA   VAL  19           HA       VAL  19  24.412  10.513 -21.915
  126    HB   VAL  19           HB       VAL  19  26.890   9.023 -22.899
  127   1HG1  VAL  19          HG11      VAL  19  23.946   8.285 -23.178
  128   2HG1  VAL  19          HG12      VAL  19  25.292   7.474 -24.003
  129   3HG1  VAL  19          HG13      VAL  19  25.172   7.400 -22.244
  130   1HG2  VAL  19          HG21      VAL  19  24.681  10.432 -24.461
  131   2HG2  VAL  19          HG22      VAL  19  26.375  10.953 -24.349
  132   3HG2  VAL  19          HG23      VAL  19  25.973   9.446 -25.170
  133    H    PHE  20           H        PHE  20  23.621   8.971 -20.408
  134    HA   PHE  20           HA       PHE  20  25.426   7.388 -18.785
  135   1HB   PHE  20          HB2       PHE  20  24.513   8.148 -16.618
  136   2HB   PHE  20          HB3       PHE  20  25.520   9.349 -17.398
  137    HD1  PHE  20           HD1      PHE  20  22.053   8.521 -16.369
  138    HD2  PHE  20           HD2      PHE  20  24.619  11.465 -18.162
  139    HE1  PHE  20           HE1      PHE  20  20.282  10.227 -16.088
  140    HE2  PHE  20           HE2      PHE  20  22.813  13.156 -17.969
  141    HZ   PHE  20           HZ       PHE  20  20.644  12.543 -16.918
  142    H    LYS  21           H        LYS  21  24.033   5.971 -17.233
  143    HA   LYS  21           HA       LYS  21  21.538   5.215 -18.681
  144   1HB   LYS  21          HB2       LYS  21  23.290   3.607 -16.763
  145   2HB   LYS  21          HB3       LYS  21  21.705   3.122 -17.330
  146   1HG   LYS  21          HG2       LYS  21  23.137   1.920 -18.660
  147   2HG   LYS  21          HG3       LYS  21  22.567   3.216 -19.710
  148   1HD   LYS  21          HD2       LYS  21  24.701   4.417 -19.425
  149   2HD   LYS  21          HD3       LYS  21  25.250   3.234 -18.236
  150   1HE   LYS  21          HE2       LYS  21  24.669   2.691 -21.188
  151   2HE   LYS  21          HE3       LYS  21  26.266   2.931 -20.480
  152   1HZ   LYS  21          HZ1       LYS  21  24.450   0.668 -19.903
  153   2HZ   LYS  21          HZ2       LYS  21  25.867   0.608 -20.707
  154   3HZ   LYS  21          HZ3       LYS  21  25.857   0.937 -19.103
  155    H    TYR  22           H        TYR  22  19.666   4.710 -17.397
  156    HA   TYR  22           HA       TYR  22  19.595   5.950 -14.716
  157   1HB   TYR  22          HB2       TYR  22  18.369   7.695 -15.340
  158   2HB   TYR  22          HB3       TYR  22  18.730   7.314 -17.002
  159    HD1  TYR  22           HD1      TYR  22  17.150   5.536 -18.131
  160    HD2  TYR  22           HD2      TYR  22  16.144   7.748 -14.577
  161    HE1  TYR  22           HE1      TYR  22  14.786   4.888 -18.405
  162    HE2  TYR  22           HE2      TYR  22  13.750   7.186 -14.898
  163    HH   TYR  22           HH       TYR  22  12.189   6.141 -16.259
  164    H    VAL  23           H        VAL  23  17.410   5.472 -13.683
  165    HA   VAL  23           HA       VAL  23  16.124   3.009 -14.588
  166    HB   VAL  23           HB       VAL  23  18.108   2.374 -13.164
  167   1HG1  VAL  23          HG11      VAL  23  18.071   4.244 -11.555
  168   2HG1  VAL  23          HG12      VAL  23  16.547   3.666 -10.891
  169   3HG1  VAL  23          HG13      VAL  23  18.004   2.670 -10.733
  170   1HG2  VAL  23          HG21      VAL  23  16.956   0.723 -11.807
  171   2HG2  VAL  23          HG22      VAL  23  15.409   1.564 -12.036
  172   3HG2  VAL  23          HG23      VAL  23  16.253   0.834 -13.421
  173    H    LEU  24           H        LEU  24  14.053   2.735 -13.562
  174    HA   LEU  24           HA       LEU  24  12.925   5.190 -12.287
  175   1HB   LEU  24          HB2       LEU  24  12.152   4.751 -14.641
  176   2HB   LEU  24          HB3       LEU  24  11.624   3.151 -14.156
  177    HG   LEU  24           HG       LEU  24   9.976   4.261 -12.551
  178   1HD1  LEU  24          HD11      LEU  24  11.070   6.467 -12.316
  179   2HD1  LEU  24          HD12      LEU  24  10.839   6.774 -14.055
  180   3HD1  LEU  24          HD13      LEU  24   9.445   6.644 -12.970
  181   1HD2  LEU  24          HD21      LEU  24   9.317   3.429 -14.784
  182   2HD2  LEU  24          HD22      LEU  24   8.394   4.854 -14.298
  183   3HD2  LEU  24          HD23      LEU  24   9.703   5.021 -15.488
  184    H    ILE  25           H        ILE  25  12.527   4.660 -10.122
  185    HA   ILE  25           HA       ILE  25  11.873   1.809  -9.591
  186    HB   ILE  25           HB       ILE  25  13.413   1.471  -8.172
  187   1HG1  ILE  25          HG12      ILE  25  13.350   4.209  -6.895
  188   2HG1  ILE  25          HG13      ILE  25  12.311   2.868  -6.413
  189   1HG2  ILE  25          HG21      ILE  25  15.554   2.594  -8.343
  190   2HG2  ILE  25          HG22      ILE  25  14.782   2.551  -9.924
  191   3HG2  ILE  25          HG23      ILE  25  14.780   4.061  -8.961
  192   1HD1  ILE  25          HD11      ILE  25  14.305   1.487  -5.930
  193   2HD1  ILE  25          HD12      ILE  25  15.328   2.926  -6.189
  194   3HD1  ILE  25          HD13      ILE  25  14.126   2.920  -4.894
  195    H    ARG  26           H        ARG  26  10.218   1.336  -8.407
  196    HA   ARG  26           HA       ARG  26   8.355   3.440  -7.515
  197   1HB   ARG  26          HB2       ARG  26   7.543   1.423  -8.674
  198   2HB   ARG  26          HB3       ARG  26   8.285   0.376  -7.472
  199   1HG   ARG  26          HG2       ARG  26   6.761   0.955  -5.789
  200   2HG   ARG  26          HG3       ARG  26   6.297   2.476  -6.559
  201   1HD   ARG  26          HD2       ARG  26   5.630  -0.255  -7.732
  202   2HD   ARG  26          HD3       ARG  26   4.542   0.662  -6.667
  203    HE   ARG  26           HE       ARG  26   5.271   2.480  -8.603
  204   1HH1  ARG  26          HH21      ARG  26   3.584  -0.651  -8.696
  205   2HH1  ARG  26          HH22      ARG  26   2.714  -0.286 -10.140
  206   1HH2  ARG  26          HH11      ARG  26   4.184   2.962 -10.497
  207   2HH2  ARG  26          HH12      ARG  26   3.042   1.844 -11.184
  208    H    VAL  27           H        VAL  27   8.022   3.829  -5.307
  209    HA   VAL  27           HA       VAL  27   9.521   2.235  -3.315
  210    HB   VAL  27           HB       VAL  27  10.938   4.099  -3.760
  211   1HG1  VAL  27          HG11      VAL  27  10.256   6.472  -3.484
  212   2HG1  VAL  27          HG12      VAL  27   9.577   5.686  -4.908
  213   3HG1  VAL  27          HG13      VAL  27   8.557   5.941  -3.471
  214   1HG2  VAL  27          HG21      VAL  27  10.565   3.480  -1.408
  215   2HG2  VAL  27          HG22      VAL  27  11.083   5.155  -1.603
  216   3HG2  VAL  27          HG23      VAL  27   9.380   4.795  -1.243
  217    H    HIS  28           H        HIS  28   8.376   1.969  -1.411
  218    HA   HIS  28           HA       HIS  28   5.479   2.687  -1.513
  219   1HB   HIS  28          HB2       HIS  28   6.907   0.514   0.055
  220   2HB   HIS  28          HB3       HIS  28   5.171   0.706  -0.164
  221    HD1  HIS  28           HD1      HIS  28   4.568   0.596  -3.095
  222    HD2  HIS  28           HD2      HIS  28   7.889  -1.367  -1.418
  223    HE1  HIS  28           HE1      HIS  28   5.237  -1.224  -4.744
  224    H    SER  29           H        SER  29   4.437   3.528   0.381
  225    HA   SER  29           HA       SER  29   5.954   5.175   2.108
  226   1HB   SER  29          HB2       SER  29   3.205   4.042   2.655
  227   2HB   SER  29          HB3       SER  29   3.883   5.528   3.310
  228    HG   SER  29           HG       SER  29   3.568   6.498   1.400
  229    H    ALA  30           H        ALA  30   7.584   4.089   3.253
  230    HA   ALA  30           HA       ALA  30   6.614   2.943   5.729
  231   1HB   ALA  30          HB1       ALA  30   8.540   1.291   4.043
  232   2HB   ALA  30          HB2       ALA  30   7.972   0.906   5.673
  233   3HB   ALA  30          HB3       ALA  30   6.835   0.911   4.326
  234    HA   PRO  31           HA       PRO  31  10.958   5.183   5.885
  235   1HB   PRO  31          HB2       PRO  31   9.239   7.552   6.618
  236   2HB   PRO  31          HB3       PRO  31  10.927   7.512   6.005
  237   1HG   PRO  31          HG2       PRO  31   8.896   8.036   4.285
  238   2HG   PRO  31          HG3       PRO  31  10.188   6.900   3.804
  239   1HD   PRO  31          HD2       PRO  31   7.435   6.269   4.909
  240   2HD   PRO  31          HD3       PRO  31   8.298   5.553   3.520
  241    H    ARG  32           H        ARG  32  11.866   5.050   7.839
  242    HA   ARG  32           HA       ARG  32  12.146   4.146   9.878
  243   1HB   ARG  32          HB2       ARG  32  10.148   6.283  10.641
  244   2HB   ARG  32          HB3       ARG  32  11.358   5.588  11.710
  245   1HG   ARG  32          HG2       ARG  32  12.038   7.250   9.229
  246   2HG   ARG  32          HG3       ARG  32  11.853   7.885  10.851
  247   1HD   ARG  32          HD2       ARG  32  14.173   7.645  10.462
  248   2HD   ARG  32          HD3       ARG  32  13.703   6.457  11.662
  249    HE   ARG  32           HE       ARG  32  14.205   5.882   8.747
  250   1HH1  ARG  32          HH21      ARG  32  14.270   4.722  12.108
  251   2HH1  ARG  32          HH22      ARG  32  15.203   3.318  11.751
  252   1HH2  ARG  32          HH11      ARG  32  15.673   4.142   8.332
  253   2HH2  ARG  32          HH12      ARG  32  15.923   2.936   9.541
  254    H    SER  33           H        SER  33   9.932   2.828   8.357
  255    HA   SER  33           HA       SER  33   8.268   1.379   8.600
  256   1HB   SER  33          HB2       SER  33   9.531   0.747  11.292
  257   2HB   SER  33          HB3       SER  33   8.541  -0.328  10.291
  258    HG   SER  33           HG       SER  33  10.786  -0.720  10.045
  259    H    GLY  34           H        GLY  34   7.638   4.101   9.432
  260   1HA   GLY  34          HA2       GLY  34   5.338   3.580  11.261
  261   2HA   GLY  34          HA3       GLY  34   6.527   4.837  11.639
  262    H    ALA  35           H        ALA  35   5.658   4.179   8.287
  263    HA   ALA  35           HA       ALA  35   4.802   6.857   7.780
  264   1HB   ALA  35          HB1       ALA  35   4.199   5.980   5.561
  265   2HB   ALA  35          HB2       ALA  35   5.781   5.361   6.066
  266   3HB   ALA  35          HB3       ALA  35   4.343   4.313   6.153
  267    HA   PRO  36           HA       PRO  36   0.558   6.492   9.053
  268   1HB   PRO  36          HB2       PRO  36  -0.664   8.529   7.715
  269   2HB   PRO  36          HB3       PRO  36   0.590   8.814   8.958
  270   1HG   PRO  36          HG2       PRO  36   0.960   8.695   5.943
  271   2HG   PRO  36          HG3       PRO  36   1.513   9.975   7.073
  272   1HD   PRO  36          HD2       PRO  36   3.161   7.964   6.265
  273   2HD   PRO  36          HD3       PRO  36   3.229   8.604   7.934
  274    H    ALA  37           H        ALA  37   1.442   5.572   5.889
  275    HA   ALA  37           HA       ALA  37  -1.146   4.348   5.272
  276   1HB   ALA  37          HB1       ALA  37   0.135   6.461   3.467
  277   2HB   ALA  37          HB2       ALA  37  -1.348   5.537   3.125
  278   3HB   ALA  37          HB3       ALA  37  -1.325   6.713   4.448
  279    H    ALA  38           H        ALA  38  -0.742   3.499   2.796
  280    HA   ALA  38           HA       ALA  38   2.000   2.461   2.419
  281   1HB   ALA  38          HB1       ALA  38   1.183   0.229   1.944
  282   2HB   ALA  38          HB2       ALA  38   0.815   0.676   3.620
  283   3HB   ALA  38          HB3       ALA  38  -0.475   0.702   2.391
  284    H    GLU  39           H        GLU  39   1.363   4.590   1.142
  285    HA   GLU  39           HA       GLU  39   0.051   4.001  -1.427
  286   1HB   GLU  39          HB2       GLU  39   1.403   6.515  -0.337
  287   2HB   GLU  39          HB3       GLU  39   0.668   6.370  -1.938
  288   1HG   GLU  39          HG2       GLU  39  -1.520   5.812  -0.849
  289   2HG   GLU  39          HG3       GLU  39  -0.786   6.118   0.727
  290    H    SER  40           H        SER  40   1.654   5.069  -3.307
  291    HA   SER  40           HA       SER  40   4.438   4.432  -2.896
  292   1HB   SER  40          HB2       SER  40   2.954   2.915  -5.073
  293   2HB   SER  40          HB3       SER  40   4.663   2.777  -4.644
  294    HG   SER  40           HG       SER  40   3.172   2.380  -2.461
  295    H    LYS  41           H        LYS  41   5.728   5.077  -4.765
  296    HA   LYS  41           HA       LYS  41   4.556   6.578  -6.933
  297   1HB   LYS  41          HB2       LYS  41   5.662   8.744  -6.422
  298   2HB   LYS  41          HB3       LYS  41   4.376   8.330  -5.315
  299   1HG   LYS  41          HG2       LYS  41   5.898   9.175  -3.887
  300   2HG   LYS  41          HG3       LYS  41   6.242   7.456  -3.728
  301   1HD   LYS  41          HD2       LYS  41   8.294   8.624  -3.674
  302   2HD   LYS  41          HD3       LYS  41   8.223   7.731  -5.187
  303   1HE   LYS  41          HE2       LYS  41   9.208   9.937  -5.477
  304   2HE   LYS  41          HE3       LYS  41   7.750   9.756  -6.444
  305   1HZ   LYS  41          HZ1       LYS  41   7.902  11.868  -5.416
  306   2HZ   LYS  41          HZ2       LYS  41   6.594  11.111  -4.794
  307   3HZ   LYS  41          HZ3       LYS  41   7.955  11.239  -3.872
  308    H    GLU  42           H        GLU  42   6.410   7.522  -8.302
  309    HA   GLU  42           HA       GLU  42   8.634   5.539  -8.269
  310   1HB   GLU  42          HB2       GLU  42   7.141   6.995 -10.477
  311   2HB   GLU  42          HB3       GLU  42   8.804   6.481 -10.715
  312   1HG   GLU  42          HG2       GLU  42   7.447   4.809 -11.645
  313   2HG   GLU  42          HG3       GLU  42   8.199   4.143 -10.200
  314    H    ILE  43           H        ILE  43  10.754   6.306  -8.676
  315    HA   ILE  43           HA       ILE  43  11.156   9.236  -8.770
  316    HB   ILE  43           HB       ILE  43  13.159   8.988  -7.343
  317   1HG1  ILE  43          HG12      ILE  43  12.091   6.208  -6.675
  318   2HG1  ILE  43          HG13      ILE  43  13.527   6.528  -7.654
  319   1HG2  ILE  43          HG21      ILE  43  11.951   9.081  -5.267
  320   2HG2  ILE  43          HG22      ILE  43  10.898   9.715  -6.533
  321   3HG2  ILE  43          HG23      ILE  43  10.638   8.066  -5.916
  322   1HD1  ILE  43          HD11      ILE  43  14.146   5.927  -5.382
  323   2HD1  ILE  43          HD12      ILE  43  14.623   7.603  -5.715
  324   3HD1  ILE  43          HD13      ILE  43  13.193   7.251  -4.712
  325    H    VAL  44           H        VAL  44  13.063   9.877  -9.808
  326    HA   VAL  44           HA       VAL  44  13.896   7.991 -11.978
  327    HB   VAL  44           HB       VAL  44  13.300  10.983 -11.900
  328   1HG1  VAL  44          HG11      VAL  44  15.141  10.594 -13.488
  329   2HG1  VAL  44          HG12      VAL  44  14.177   9.352 -14.314
  330   3HG1  VAL  44          HG13      VAL  44  13.651  11.043 -14.320
  331   1HG2  VAL  44          HG21      VAL  44  11.871   8.811 -13.477
  332   2HG2  VAL  44          HG22      VAL  44  11.270   9.506 -11.956
  333   3HG2  VAL  44          HG23      VAL  44  11.450  10.533 -13.375
  334    H    ARG  45           H        ARG  45  16.051   7.466 -11.756
  335    HA   ARG  45           HA       ARG  45  17.939   9.574 -10.834
  336   1HB   ARG  45          HB2       ARG  45  17.908   6.699  -9.817
  337   2HB   ARG  45          HB3       ARG  45  19.128   7.904  -9.430
  338   1HG   ARG  45          HG2       ARG  45  16.201   7.963  -8.578
  339   2HG   ARG  45          HG3       ARG  45  17.588   7.554  -7.573
  340   1HD   ARG  45          HD2       ARG  45  18.461   9.813  -7.703
  341   2HD   ARG  45          HD3       ARG  45  17.190  10.295  -8.808
  342    HE   ARG  45           HE       ARG  45  15.644  10.382  -7.103
  343   1HH1  ARG  45          HH11      ARG  45  18.706   9.127  -5.840
  344   2HH1  ARG  45          HH12      ARG  45  18.194   9.105  -4.194
  345   1HH2  ARG  45          HH21      ARG  45  14.961  10.428  -4.928
  346   2HH2  ARG  45          HH22      ARG  45  15.993   9.830  -3.666
  347    H    GLY  46           H        GLY  46  20.035   9.362 -11.769
  348   1HA   GLY  46          HA2       GLY  46  20.980   7.096 -13.136
  349   2HA   GLY  46          HA3       GLY  46  20.204   8.150 -14.328
  350    H    TYR  47           H        TYR  47  23.124   7.412 -13.657
  351    HA   TYR  47           HA       TYR  47  24.242  10.094 -13.846
  352   1HB   TYR  47          HB2       TYR  47  25.209   8.331 -11.585
  353   2HB   TYR  47          HB3       TYR  47  25.557  10.025 -11.851
  354    HD1  TYR  47           HD1      TYR  47  23.038   7.572 -10.708
  355    HD2  TYR  47           HD2      TYR  47  24.114  11.741 -10.836
  356    HE1  TYR  47           HE1      TYR  47  21.369   8.044  -8.940
  357    HE2  TYR  47           HE2      TYR  47  22.449  12.229  -9.072
  358    HH   TYR  47           HH       TYR  47  20.908  11.339  -7.582
  359    H    LYS  48           H        LYS  48  26.491  10.043 -14.525
  360    HA   LYS  48           HA       LYS  48  27.081   7.873 -16.211
  361   1HB   LYS  48          HB2       LYS  48  27.932  10.246 -16.341
  362   2HB   LYS  48          HB3       LYS  48  29.087   9.850 -15.056
  363   1HG   LYS  48          HG2       LYS  48  30.106   8.117 -16.531
  364   2HG   LYS  48          HG3       LYS  48  28.868   8.429 -17.755
  365   1HD   LYS  48          HD2       LYS  48  30.874   9.535 -18.443
  366   2HD   LYS  48          HD3       LYS  48  29.714  10.781 -17.962
  367   1HE   LYS  48          HE2       LYS  48  30.852  10.944 -15.736
  368   2HE   LYS  48          HE3       LYS  48  32.005   9.703 -16.247
  369   1HZ   LYS  48          HZ1       LYS  48  32.914  11.907 -16.543
  370   2HZ   LYS  48          HZ2       LYS  48  32.718  11.233 -18.015
  371   3HZ   LYS  48          HZ3       LYS  48  31.660  12.378 -17.483
  372    H    TRP  49           H        TRP  49  27.984   8.285 -12.771
  373    HA   TRP  49           HA       TRP  49  29.959   6.230 -12.785
  374   1HB   TRP  49          HB2       TRP  49  29.570   6.153 -10.312
  375   2HB   TRP  49          HB3       TRP  49  30.076   7.675 -10.999
  376    HD1  TRP  49           HD1      TRP  49  28.841   9.733 -10.262
  377    HE1  TRP  49           HE1      TRP  49  26.756  10.272  -8.903
  378    HE3  TRP  49           HE3      TRP  49  26.874   5.009  -9.873
  379    HZ2  TRP  49           HZ2      TRP  49  24.482   8.847  -7.809
  380    HZ3  TRP  49           HZ3      TRP  49  24.691   4.662  -8.801
  381    HH2  TRP  49           HH2      TRP  49  23.447   6.573  -7.792
  382    H    ALA  50           H        ALA  50  26.407   5.977 -12.792
  383    HA   ALA  50           HA       ALA  50  26.577   3.102 -12.156
  384   1HB   ALA  50          HB1       ALA  50  24.170   3.108 -12.524
  385   2HB   ALA  50          HB2       ALA  50  24.670   4.218 -11.246
  386   3HB   ALA  50          HB3       ALA  50  24.205   4.862 -12.848
  387    H    GLU  51           H        GLU  51  28.080   2.688 -13.883
  388    HA   GLU  51           HA       GLU  51  27.434   3.037 -16.638
  389   1HB   GLU  51          HB2       GLU  51  29.159   0.940 -15.243
  390   2HB   GLU  51          HB3       GLU  51  29.106   1.203 -16.991
  391   1HG   GLU  51          HG2       GLU  51  29.846   3.566 -16.632
  392   2HG   GLU  51          HG3       GLU  51  30.001   3.232 -14.903
  393    H    TYR  52           H        TYR  52  25.937   1.013 -14.290
  394    HA   TYR  52           HA       TYR  52  24.413  -0.384 -16.366
  395   1HB   TYR  52          HB2       TYR  52  24.469  -2.413 -14.712
  396   2HB   TYR  52          HB3       TYR  52  25.676  -2.206 -15.966
  397    HD1  TYR  52           HD1      TYR  52  25.144  -2.522 -12.389
  398    HD2  TYR  52           HD2      TYR  52  27.913  -1.244 -15.415
  399    HE1  TYR  52           HE1      TYR  52  26.986  -2.686 -10.740
  400    HE2  TYR  52           HE2      TYR  52  29.790  -1.391 -13.775
  401    HH   TYR  52           HH       TYR  52  29.271  -2.415 -10.363
  402    H    HIS  53           H        HIS  53  22.288  -0.680 -15.765
  403    HA   HIS  53           HA       HIS  53  21.152   1.199 -14.041
  404   1HB   HIS  53          HB2       HIS  53  19.741  -1.342 -14.920
  405   2HB   HIS  53          HB3       HIS  53  19.042   0.248 -14.631
  406    HD1  HIS  53           HD1      HIS  53  19.216   2.003 -16.722
  407    HD2  HIS  53           HD2      HIS  53  21.093  -1.744 -17.236
  408    HE1  HIS  53           HE1      HIS  53  19.923   1.841 -19.180
  409    H    ALA  54           H        ALA  54  22.042  -2.185 -13.386
  410    HA   ALA  54           HA       ALA  54  20.599  -2.491 -10.959
  411   1HB   ALA  54          HB1       ALA  54  22.186  -4.314 -10.489
  412   2HB   ALA  54          HB2       ALA  54  21.627  -4.383 -12.172
  413   3HB   ALA  54          HB3       ALA  54  23.248  -3.754 -11.793
  414    H    ASP  55           H        ASP  55  23.593  -0.681 -11.655
  415    HA   ASP  55           HA       ASP  55  24.565  -0.663  -8.953
  416   1HB   ASP  55          HB2       ASP  55  25.865   0.017 -11.079
  417   2HB   ASP  55          HB3       ASP  55  24.992   1.525 -11.018
  418    H    ILE  56           H        ILE  56  22.542   1.633 -10.843
  419    HA   ILE  56           HA       ILE  56  22.125   3.385  -8.589
  420    HB   ILE  56           HB       ILE  56  19.989   3.961 -10.166
  421   1HG1  ILE  56          HG12      ILE  56  21.998   2.770 -12.093
  422   2HG1  ILE  56          HG13      ILE  56  20.251   2.528 -11.963
  423   1HG2  ILE  56          HG21      ILE  56  22.758   5.106 -10.444
  424   2HG2  ILE  56          HG22      ILE  56  21.211   5.907 -10.827
  425   3HG2  ILE  56          HG23      ILE  56  21.568   5.463  -9.167
  426   1HD1  ILE  56          HD11      ILE  56  20.744   3.819 -13.914
  427   2HD1  ILE  56          HD12      ILE  56  19.979   4.910 -12.735
  428   3HD1  ILE  56          HD13      ILE  56  21.744   4.957 -13.003
  429    H    TYR  57           H        TYR  57  20.228   0.597  -9.962
  430    HA   TYR  57           HA       TYR  57  18.013   1.027  -8.249
  431   1HB   TYR  57          HB2       TYR  57  17.861  -0.605 -10.036
  432   2HB   TYR  57          HB3       TYR  57  19.157  -1.569  -9.329
  433    HD1  TYR  57           HD1      TYR  57  18.409  -3.553  -8.323
  434    HD2  TYR  57           HD2      TYR  57  15.946  -0.019  -8.026
  435    HE1  TYR  57           HE1      TYR  57  16.818  -4.782  -6.885
  436    HE2  TYR  57           HE2      TYR  57  14.385  -1.217  -6.556
  437    HH   TYR  57           HH       TYR  57  13.928  -3.240  -5.411
  438    H    ASP  58           H        ASP  58  21.048  -0.864  -7.633
  439    HA   ASP  58           HA       ASP  58  20.319  -1.644  -5.004
  440   1HB   ASP  58          HB2       ASP  58  22.103  -2.750  -6.234
  441   2HB   ASP  58          HB3       ASP  58  23.054  -1.262  -6.272
  442    H    LYS  59           H        LYS  59  22.331   1.144  -6.141
  443    HA   LYS  59           HA       LYS  59  22.947   2.168  -3.569
  444   1HB   LYS  59          HB2       LYS  59  24.174   2.849  -5.475
  445   2HB   LYS  59          HB3       LYS  59  22.745   3.452  -6.314
  446   1HG   LYS  59          HG2       LYS  59  22.679   5.433  -5.184
  447   2HG   LYS  59          HG3       LYS  59  23.318   4.748  -3.673
  448   1HD   LYS  59          HD2       LYS  59  25.558   4.658  -4.515
  449   2HD   LYS  59          HD3       LYS  59  25.036   5.101  -6.146
  450   1HE   LYS  59          HE2       LYS  59  24.224   7.308  -5.244
  451   2HE   LYS  59          HE3       LYS  59  24.866   6.862  -3.657
  452   1HZ   LYS  59          HZ1       LYS  59  26.420   8.237  -4.887
  453   2HZ   LYS  59          HZ2       LYS  59  27.077   6.763  -4.663
  454   3HZ   LYS  59          HZ3       LYS  59  26.471   7.178  -6.129
  455    H    VAL  60           H        VAL  60  20.263   3.087  -5.802
  456    HA   VAL  60           HA       VAL  60  19.249   5.073  -4.015
  457    HB   VAL  60           HB       VAL  60  17.955   3.700  -6.388
  458   1HG1  VAL  60          HG11      VAL  60  16.284   4.734  -4.816
  459   2HG1  VAL  60          HG12      VAL  60  17.185   6.243  -4.860
  460   3HG1  VAL  60          HG13      VAL  60  16.402   5.633  -6.344
  461   1HG2  VAL  60          HG21      VAL  60  18.646   5.612  -7.647
  462   2HG2  VAL  60          HG22      VAL  60  19.247   6.459  -6.189
  463   3HG2  VAL  60          HG23      VAL  60  20.091   5.049  -6.831
  464    H    SER  61           H        SER  61  18.268   1.595  -4.610
  465    HA   SER  61           HA       SER  61  16.173   1.704  -2.681
  466   1HB   SER  61          HB2       SER  61  17.834  -0.711  -3.488
  467   2HB   SER  61          HB3       SER  61  16.237  -0.715  -2.705
  468    HG   SER  61           HG       SER  61  16.993   0.001  -5.299
  469    H    GLY  62           H        GLY  62  19.708   1.310  -2.286
  470   1HA   GLY  62          HA2       GLY  62  19.720   0.503   0.444
  471   2HA   GLY  62          HA3       GLY  62  20.980   1.424  -0.405
  472    H    ASP  63           H        ASP  63  19.780   3.810  -1.076
  473    HA   ASP  63           HA       ASP  63  19.684   5.195   1.408
  474   1HB   ASP  63          HB2       ASP  63  20.338   6.249  -0.755
  475   2HB   ASP  63          HB3       ASP  63  18.646   6.200  -1.265
  476    H    MET  64           H        MET  64  17.013   4.304  -0.896
  477    HA   MET  64           HA       MET  64  14.913   5.333   0.676
  478   1HB   MET  64          HB2       MET  64  14.927   2.823  -1.058
  479   2HB   MET  64          HB3       MET  64  13.496   3.671  -0.484
  480   1HG   MET  64          HG2       MET  64  15.506   4.807  -2.441
  481   2HG   MET  64          HG3       MET  64  13.906   4.205  -2.798
  482   1HE   MET  64          HE1       MET  64  15.101   8.344  -1.412
  483   2HE   MET  64          HE2       MET  64  15.843   6.925  -0.660
  484   3HE   MET  64          HE3       MET  64  15.984   7.174  -2.421
  485    H    GLN  65           H        GLN  65  16.441   2.042   0.958
  486    HA   GLN  65           HA       GLN  65  14.670   1.226   3.044
  487   1HB   GLN  65          HB2       GLN  65  17.366   0.320   2.002
  488   2HB   GLN  65          HB3       GLN  65  16.679  -0.436   3.441
  489   1HG   GLN  65          HG2       GLN  65  14.741  -1.211   2.249
  490   2HG   GLN  65          HG3       GLN  65  15.176  -0.294   0.799
  491   1HE2  GLN  65          HE21      GLN  65  17.406  -0.847  -0.113
  492   2HE2  GLN  65          HE22      GLN  65  17.858  -2.550  -0.160
  493    H    LYS  66           H        LYS  66  17.819   2.977   3.106
  494    HA   LYS  66           HA       LYS  66  18.149   2.938   5.948
  495   1HB   LYS  66          HB2       LYS  66  19.928   3.579   4.444
  496   2HB   LYS  66          HB3       LYS  66  18.955   4.863   3.758
  497   1HG   LYS  66          HG2       LYS  66  19.019   6.034   6.025
  498   2HG   LYS  66          HG3       LYS  66  20.153   4.774   6.545
  499   1HD   LYS  66          HD2       LYS  66  21.451   6.673   5.817
  500   2HD   LYS  66          HD3       LYS  66  21.622   5.404   4.586
  501   1HE   LYS  66          HE2       LYS  66  19.821   6.542   3.235
  502   2HE   LYS  66          HE3       LYS  66  19.746   7.823   4.442
  503   1HZ   LYS  66          HZ1       LYS  66  21.904   8.528   3.817
  504   2HZ   LYS  66          HZ2       LYS  66  22.219   7.167   2.956
  505   3HZ   LYS  66          HZ3       LYS  66  21.097   8.218   2.406
  506    H    GLN  67           H        GLN  67  16.285   5.180   3.757
  507    HA   GLN  67           HA       GLN  67  15.247   6.747   5.923
  508   1HB   GLN  67          HB2       GLN  67  13.949   6.176   3.223
  509   2HB   GLN  67          HB3       GLN  67  13.454   7.403   4.390
  510   1HG   GLN  67          HG2       GLN  67  15.776   8.424   4.196
  511   2HG   GLN  67          HG3       GLN  67  16.111   7.271   2.909
  512   1HE2  GLN  67          HE22      GLN  67  16.305   8.616   1.097
  513   2HE2  GLN  67          HE21      GLN  67  15.029   9.718   0.611
  514    H    GLY  68           H        GLY  68  14.081   3.775   4.392
  515   1HA   GLY  68          HA2       GLY  68  13.522   2.172   6.363
  516   2HA   GLY  68          HA3       GLY  68  12.152   3.255   6.606
  517    H    CYS  69           H        CYS  69  12.657   3.268   3.324
  518    HA   CYS  69           HA       CYS  69  10.104   2.026   2.879
  519   1HB   CYS  69          HB2       CYS  69  12.222   3.311   1.135
  520   2HB   CYS  69          HB3       CYS  69  10.687   2.707   0.501
  521    HG   CYS  69           HG       CYS  69   9.126   4.229   1.520
  522    H    ASP  70           H        ASP  70   9.927   0.771   0.720
  523    HA   ASP  70           HA       ASP  70  12.004  -1.267   0.265
  524   1HB   ASP  70          HB2       ASP  70  10.321  -2.435   1.610
  525   2HB   ASP  70          HB3       ASP  70   9.020  -1.796   0.600
  526    H    CYS  71           H        CYS  71  12.063  -1.755  -2.048
  527    HA   CYS  71           HA       CYS  71  10.483   0.061  -3.769
  528   1HB   CYS  71          HB2       CYS  71  13.539  -0.006  -3.724
  529   2HB   CYS  71          HB3       CYS  71  12.500   1.037  -4.700
  530    HG   CYS  71           HG       CYS  71  12.797   0.937  -1.429
  531    H    GLU  72           H        GLU  72  10.973  -0.258  -6.133
  532    HA   GLU  72           HA       GLU  72  12.301  -2.769  -6.906
  533   1HB   GLU  72          HB2       GLU  72  10.064  -3.535  -6.340
  534   2HB   GLU  72          HB3       GLU  72   9.317  -2.213  -7.252
  535   1HG   GLU  72          HG2       GLU  72  10.112  -3.095  -9.342
  536   2HG   GLU  72          HG3       GLU  72  11.136  -4.283  -8.526
  537    H    CYS  73           H        CYS  73  13.376  -2.345  -8.826
  538    HA   CYS  73           HA       CYS  73  12.981   0.112 -10.317
  539   1HB   CYS  73          HB2       CYS  73  14.485  -1.183 -11.985
  540   2HB   CYS  73          HB3       CYS  73  15.190  -0.674 -10.453
  541    HG   CYS  73           HG       CYS  73  15.952  -3.138 -11.305
  542    H    LEU  74           H        LEU  74  11.247   0.422 -11.603
  543    HA   LEU  74           HA       LEU  74   9.540  -1.786 -12.488
  544   1HB   LEU  74          HB2       LEU  74   9.576   1.174 -13.230
  545   2HB   LEU  74          HB3       LEU  74   8.342   0.012 -13.700
  546    HG   LEU  74           HG       LEU  74   8.941   0.987 -10.879
  547   1HD1  LEU  74          HD11      LEU  74   6.474   1.257 -12.652
  548   2HD1  LEU  74          HD12      LEU  74   6.684   1.920 -11.019
  549   3HD1  LEU  74          HD13      LEU  74   7.680   2.525 -12.357
  550   1HD2  LEU  74          HD21      LEU  74   6.925  -0.360 -10.200
  551   2HD2  LEU  74          HD22      LEU  74   6.961  -1.150 -11.789
  552   3HD2  LEU  74          HD23      LEU  74   8.311  -1.351 -10.645
  553    H    GLY  75           H        GLY  75  12.263   0.066 -13.737
  554   1HA   GLY  75          HA2       GLY  75  13.088  -1.712 -15.684
  555   2HA   GLY  75          HA3       GLY  75  12.004  -0.578 -16.508
  556    H    GLY  76           H        GLY  76  14.187  -0.057 -17.581
  557   1HA   GLY  76          HA2       GLY  76  15.017   2.497 -16.534
  558   2HA   GLY  76          HA3       GLY  76  16.321   1.299 -16.462
  559    H    GLY  77           H        GLY  77  17.187   3.023 -17.998
  560   1HA   GLY  77          HA2       GLY  77  17.176   2.161 -20.722
  561   2HA   GLY  77          HA3       GLY  77  16.165   3.604 -20.520
  562    H    ARG  78           H        ARG  78  17.930   4.571 -21.923
  563    HA   ARG  78           HA       ARG  78  20.261   5.438 -20.274
  564   1HB   ARG  78          HB2       ARG  78  20.860   3.774 -22.025
  565   2HB   ARG  78          HB3       ARG  78  20.216   4.868 -23.264
  566   1HG   ARG  78          HG2       ARG  78  21.958   6.540 -22.692
  567   2HG   ARG  78          HG3       ARG  78  22.506   5.515 -21.351
  568   1HD   ARG  78          HD2       ARG  78  24.014   5.272 -23.221
  569   2HD   ARG  78          HD3       ARG  78  23.175   3.758 -22.920
  570    HE   ARG  78           HE       ARG  78  22.549   5.716 -25.104
  571   1HH1  ARG  78          HH11      ARG  78  22.627   2.301 -24.027
  572   2HH1  ARG  78          HH12      ARG  78  22.088   1.692 -25.567
  573   1HH2  ARG  78          HH21      ARG  78  21.813   4.864 -27.076
  574   2HH2  ARG  78          HH22      ARG  78  21.709   3.135 -27.314
  575    H    ILE  79           H        ILE  79  20.999   7.589 -20.746
  576    HA   ILE  79           HA       ILE  79  18.937   9.345 -21.914
  577    HB   ILE  79           HB       ILE  79  20.330   9.574 -19.214
  578   1HG1  ILE  79          HG12      ILE  79  17.443   9.343 -20.143
  579   2HG1  ILE  79          HG13      ILE  79  18.341   8.182 -19.178
  580   1HG2  ILE  79          HG21      ILE  79  19.254  11.812 -18.990
  581   2HG2  ILE  79          HG22      ILE  79  20.361  11.814 -20.343
  582   3HG2  ILE  79          HG23      ILE  79  18.611  11.676 -20.641
  583   1HD1  ILE  79          HD11      ILE  79  17.309  10.891 -18.254
  584   2HD1  ILE  79          HD12      ILE  79  16.761   9.289 -17.757
  585   3HD1  ILE  79          HD13      ILE  79  18.381   9.842 -17.291
  586    H    SER  80           H        SER  80  19.751  10.871 -23.214
  587    HA   SER  80           HA       SER  80  22.688  11.314 -23.361
  588   1HB   SER  80          HB2       SER  80  20.870  10.610 -25.712
  589   2HB   SER  80          HB3       SER  80  22.604  10.957 -25.787
  590    HG   SER  80           HG       SER  80  22.196   8.727 -25.819
  591    H    HIS  81           H        HIS  81  23.186  13.410 -24.005
  592    HA   HIS  81           HA       HIS  81  21.140  15.466 -24.123
  593   1HB   HIS  81          HB2       HIS  81  23.109  16.884 -24.805
  594   2HB   HIS  81          HB3       HIS  81  23.250  16.080 -23.249
  595    HD1  HIS  81           HD1      HIS  81  24.132  14.203 -26.515
  596    HD2  HIS  81           HD2      HIS  81  25.895  16.055 -23.167
  597    HE1  HIS  81           HE1      HIS  81  26.602  13.558 -26.550
  598    H    GLN  82           H        GLN  82  20.690  16.793 -26.009
  599    HA   GLN  82           HA       GLN  82  21.242  15.499 -28.656
  600   1HB   GLN  82          HB2       GLN  82  18.723  16.987 -27.805
  601   2HB   GLN  82          HB3       GLN  82  19.086  16.420 -29.430
  602   1HG   GLN  82          HG2       GLN  82  19.042  14.088 -28.697
  603   2HG   GLN  82          HG3       GLN  82  18.810  14.578 -27.016
  604   1HE2  GLN  82          HE22      GLN  82  16.839  15.939 -26.545
  605   2HE2  GLN  82          HE21      GLN  82  15.351  15.393 -27.309
  606    H    SER  83           H        SER  83  23.138  16.783 -28.855
  607    HA   SER  83           HA       SER  83  23.508  19.374 -28.084
  608   1HB   SER  83          HB2       SER  83  24.731  18.123 -30.566
  609   2HB   SER  83          HB3       SER  83  25.468  19.298 -29.460
  610    HG   SER  83           HG       SER  83  26.193  17.160 -29.063
  611    H    GLN  84           H        GLN  84  21.515  18.411 -30.734
  612    HA   GLN  84           HA       GLN  84  21.588  20.691 -32.431
  613   1HB   GLN  84          HB2       GLN  84  19.273  18.815 -31.729
  614   2HB   GLN  84          HB3       GLN  84  19.317  19.946 -33.070
  615   1HG   GLN  84          HG2       GLN  84  19.771  17.856 -34.027
  616   2HG   GLN  84          HG3       GLN  84  21.308  18.711 -34.001
  617   1HE2  GLN  84          HE22      GLN  84  22.228  16.485 -34.320
  618   2HE2  GLN  84          HE21      GLN  84  22.451  15.463 -32.923
  619    H    ASP  85           H        ASP  85  19.913  20.051 -29.319
  620    HA   ASP  85           HA       ASP  85  19.131  22.900 -29.135
  621   1HB   ASP  85          HB2       ASP  85  17.315  21.578 -30.342
  622   2HB   ASP  85          HB3       ASP  85  17.099  20.651 -28.859
  623    H    LYS  86           H        LYS  86  20.794  20.670 -27.728
  624    HA   LYS  86           HA       LYS  86  21.623  20.202 -25.740
  625   1HB   LYS  86          HB2       LYS  86  21.361  22.596 -25.148
  626   2HB   LYS  86          HB3       LYS  86  19.760  22.242 -24.481
  627   1HG   LYS  86          HG2       LYS  86  20.828  20.609 -22.896
  628   2HG   LYS  86          HG3       LYS  86  22.416  21.121 -23.500
  629   1HD   LYS  86          HD2       LYS  86  21.921  23.448 -22.786
  630   2HD   LYS  86          HD3       LYS  86  20.328  22.946 -22.213
  631   1HE   LYS  86          HE2       LYS  86  23.020  22.003 -21.123
  632   2HE   LYS  86          HE3       LYS  86  21.941  23.176 -20.366
  633   1HZ   LYS  86          HZ1       LYS  86  21.378  20.301 -20.763
  634   2HZ   LYS  86          HZ2       LYS  86  21.602  21.076 -19.342
  635   3HZ   LYS  86          HZ3       LYS  86  20.251  21.357 -20.232
  636    H    LYS  87           H        LYS  87  18.073  20.532 -25.448
  637    HA   LYS  87           HA       LYS  87  17.367  19.177 -23.283
  638   1HB   LYS  87          HB2       LYS  87  16.123  18.862 -26.038
  639   2HB   LYS  87          HB3       LYS  87  15.471  18.036 -24.634
  640   1HG   LYS  87          HG2       LYS  87  14.187  19.977 -24.976
  641   2HG   LYS  87          HG3       LYS  87  15.103  20.173 -23.476
  642   1HD   LYS  87          HD2       LYS  87  16.619  21.715 -24.468
  643   2HD   LYS  87          HD3       LYS  87  16.036  21.335 -26.098
  644   1HE   LYS  87          HE2       LYS  87  14.282  22.662 -23.991
  645   2HE   LYS  87          HE3       LYS  87  15.338  23.561 -25.085
  646   1HZ   LYS  87          HZ1       LYS  87  13.037  21.881 -25.896
  647   2HZ   LYS  87          HZ2       LYS  87  13.237  23.486 -26.088
  648   3HZ   LYS  87          HZ3       LYS  87  14.188  22.470 -26.952
  649    H    ILE  88           H        ILE  88  17.950  17.309 -22.244
  650    HA   ILE  88           HA       ILE  88  19.096  15.146 -23.731
  651    HB   ILE  88           HB       ILE  88  19.134  13.817 -21.833
  652   1HG1  ILE  88          HG12      ILE  88  16.924  13.984 -20.910
  653   2HG1  ILE  88          HG13      ILE  88  18.153  14.200 -19.691
  654   1HG2  ILE  88          HG21      ILE  88  19.713  16.652 -20.928
  655   2HG2  ILE  88          HG22      ILE  88  20.349  15.146 -20.225
  656   3HG2  ILE  88          HG23      ILE  88  20.777  15.599 -21.878
  657   1HD1  ILE  88          HD11      ILE  88  17.767  16.631 -19.655
  658   2HD1  ILE  88          HD12      ILE  88  16.508  16.453 -20.906
  659   3HD1  ILE  88          HD13      ILE  88  16.296  15.722 -19.305
  660    H    HIS  89           H        HIS  89  18.240  12.917 -23.732
  661    HA   HIS  89           HA       HIS  89  15.339  12.743 -24.329
  662   1HB   HIS  89          HB2       HIS  89  16.821  13.030 -26.362
  663   2HB   HIS  89          HB3       HIS  89  17.650  11.547 -25.926
  664    HD1  HIS  89           HD1      HIS  89  16.198   9.250 -26.309
  665    HD2  HIS  89           HD2      HIS  89  14.508  12.869 -27.615
  666    HE1  HIS  89           HE1      HIS  89  14.255   8.634 -27.834
  667    H    VAL  90           H        VAL  90  14.505  10.618 -23.807
  668    HA   VAL  90           HA       VAL  90  16.318   8.859 -22.205
  669    HB   VAL  90           HB       VAL  90  13.355   9.359 -21.714
  670   1HG1  VAL  90          HG11      VAL  90  15.501   8.248 -19.853
  671   2HG1  VAL  90          HG12      VAL  90  13.753   8.314 -19.571
  672   3HG1  VAL  90          HG13      VAL  90  14.421   7.258 -20.832
  673   1HG2  VAL  90          HG21      VAL  90  14.015  10.761 -19.758
  674   2HG2  VAL  90          HG22      VAL  90  15.685  10.784 -20.365
  675   3HG2  VAL  90          HG23      VAL  90  14.373  11.509 -21.313
  676    H    TYR  91           H        TYR  91  16.423   6.771 -23.056
  677    HA   TYR  91           HA       TYR  91  14.211   5.669 -24.593
  678   1HB   TYR  91          HB2       TYR  91  15.117   5.752 -26.727
  679   2HB   TYR  91          HB3       TYR  91  15.267   7.361 -26.135
  680    HD1  TYR  91           HD1      TYR  91  17.908   7.146 -24.540
  681    HD2  TYR  91           HD2      TYR  91  16.720   5.636 -28.410
  682    HE1  TYR  91           HE1      TYR  91  20.241   7.183 -25.253
  683    HE2  TYR  91           HE2      TYR  91  19.068   5.736 -29.162
  684    HH   TYR  91           HH       TYR  91  21.242   6.422 -28.628
  685    H    GLY  92           H        GLY  92  15.286   3.679 -25.976
  686   1HA   GLY  92          HA2       GLY  92  16.388   1.651 -25.855
  687   2HA   GLY  92          HA3       GLY  92  17.468   2.330 -24.629
  688    H    TYR  93           H        TYR  93  17.287   0.280 -23.524
  689    HA   TYR  93           HA       TYR  93  15.050   0.135 -21.658
  690   1HB   TYR  93          HB2       TYR  93  14.627  -2.215 -22.104
  691   2HB   TYR  93          HB3       TYR  93  14.316  -1.297 -23.565
  692    HD1  TYR  93           HD1      TYR  93  16.097  -1.342 -25.449
  693    HD2  TYR  93           HD2      TYR  93  16.107  -4.063 -22.099
  694    HE1  TYR  93           HE1      TYR  93  17.596  -2.852 -26.691
  695    HE2  TYR  93           HE2      TYR  93  17.612  -5.587 -23.335
  696    HH   TYR  93           HH       TYR  93  18.787  -4.874 -26.653
  697    H    SER  94           H        SER  94  15.699  -1.077 -19.728
  698    HA   SER  94           HA       SER  94  18.609  -1.328 -19.429
  699   1HB   SER  94          HB2       SER  94  18.173  -1.958 -17.148
  700   2HB   SER  94          HB3       SER  94  17.265  -0.500 -17.539
  701    HG   SER  94           HG       SER  94  15.403  -1.954 -17.836
  702    H    MET  95           H        MET  95  19.746  -3.216 -19.826
  703    HA   MET  95           HA       MET  95  18.390  -5.526 -20.883
  704   1HB   MET  95          HB2       MET  95  21.207  -5.207 -19.757
  705   2HB   MET  95          HB3       MET  95  20.602  -6.653 -20.578
  706   1HG   MET  95          HG2       MET  95  20.135  -5.314 -22.614
  707   2HG   MET  95          HG3       MET  95  20.736  -3.871 -21.805
  708   1HE   MET  95          HE1       MET  95  21.584  -7.227 -23.573
  709   2HE   MET  95          HE2       MET  95  23.331  -7.409 -23.305
  710   3HE   MET  95          HE3       MET  95  22.203  -7.633 -21.955
  711    H    ALA  96           H        ALA  96  19.201  -4.495 -17.611
  712    HA   ALA  96           HA       ALA  96  18.924  -7.090 -16.396
  713   1HB   ALA  96          HB1       ALA  96  19.077  -5.808 -14.292
  714   2HB   ALA  96          HB2       ALA  96  20.343  -5.328 -15.438
  715   3HB   ALA  96          HB3       ALA  96  18.918  -4.287 -15.192
  716    H    TYR  97           H        TYR  97  16.642  -4.280 -16.800
  717    HA   TYR  97           HA       TYR  97  14.528  -5.954 -15.521
  718   1HB   TYR  97          HB2       TYR  97  14.951  -2.986 -15.081
  719   2HB   TYR  97          HB3       TYR  97  13.831  -4.045 -14.241
  720    HD1  TYR  97           HD1      TYR  97  15.033  -6.175 -13.053
  721    HD2  TYR  97           HD2      TYR  97  16.923  -2.402 -13.958
  722    HE1  TYR  97           HE1      TYR  97  16.764  -6.640 -11.346
  723    HE2  TYR  97           HE2      TYR  97  18.645  -2.845 -12.241
  724    HH   TYR  97           HH       TYR  97  19.463  -4.384 -10.654
  725    H    GLY  98           H        GLY  98  15.280  -4.492 -18.430
  726   1HA   GLY  98          HA2       GLY  98  13.873  -4.444 -20.271
  727   2HA   GLY  98          HA3       GLY  98  12.448  -4.508 -19.230
  728    HA   PRO  99           HA       PRO  99  13.177  -0.099 -20.669
  729   1HB   PRO  99          HB2       PRO  99  10.849   0.291 -22.064
  730   2HB   PRO  99          HB3       PRO  99  12.321  -0.399 -22.798
  731   1HG   PRO  99          HG2       PRO  99   9.891  -1.865 -21.747
  732   2HG   PRO  99          HG3       PRO  99  10.790  -2.152 -23.268
  733   1HD   PRO  99          HD2       PRO  99  11.174  -3.640 -20.989
  734   2HD   PRO  99          HD3       PRO  99  12.494  -3.311 -22.148
  735    H    ALA 100           H        ALA 100  12.565   1.486 -19.318
  736    HA   ALA 100           HA       ALA 100  10.427   1.111 -17.334
  737   1HB   ALA 100          HB1       ALA 100  11.090   3.500 -16.795
  738   2HB   ALA 100          HB2       ALA 100  12.443   2.374 -16.708
  739   3HB   ALA 100          HB3       ALA 100  12.250   3.410 -18.137
  740    H    GLN 101           H        GLN 101   8.773   2.900 -17.137
  741    HA   GLN 101           HA       GLN 101   7.545   3.623 -19.729
  742   1HB   GLN 101          HB2       GLN 101   6.745   4.195 -16.839
  743   2HB   GLN 101          HB3       GLN 101   5.859   4.757 -18.261
  744   1HG   GLN 101          HG2       GLN 101   6.264   1.885 -17.382
  745   2HG   GLN 101          HG3       GLN 101   4.781   2.856 -17.289
  746   1HE2  GLN 101          HE22      GLN 101   3.839   3.632 -19.438
  747   2HE2  GLN 101          HE21      GLN 101   4.019   2.588 -20.822
  748    H    HIS 102           H        HIS 102   9.487   4.835 -20.422
  749    HA   HIS 102           HA       HIS 102  10.612   6.938 -18.969
  750   1HB   HIS 102          HB2       HIS 102  10.341   6.795 -21.978
  751   2HB   HIS 102          HB3       HIS 102  11.547   7.700 -21.077
  752    HD1  HIS 102           HD1      HIS 102  11.140   4.327 -22.653
  753    HD2  HIS 102           HD2      HIS 102  13.043   5.988 -19.303
  754    HE1  HIS 102           HE1      HIS 102  12.795   2.579 -21.789
  755    H    ALA 103           H        ALA 103   7.481   6.912 -20.476
  756    HA   ALA 103           HA       ALA 103   6.909   9.651 -20.758
  757   1HB   ALA 103          HB1       ALA 103   5.383   7.872 -21.455
  758   2HB   ALA 103          HB2       ALA 103   5.174   7.334 -19.766
  759   3HB   ALA 103          HB3       ALA 103   4.569   8.925 -20.288
  760    H    ILE 104           H        ILE 104   7.131   7.618 -17.813
  761    HA   ILE 104           HA       ILE 104   5.990   9.508 -15.961
  762    HB   ILE 104           HB       ILE 104   8.035   7.284 -15.520
  763   1HG1  ILE 104          HG12      ILE 104   5.905   6.436 -16.546
  764   2HG1  ILE 104          HG13      ILE 104   6.327   5.754 -14.989
  765   1HG2  ILE 104          HG21      ILE 104   7.113   7.269 -13.168
  766   2HG2  ILE 104          HG22      ILE 104   8.072   8.684 -13.610
  767   3HG2  ILE 104          HG23      ILE 104   6.301   8.806 -13.546
  768   1HD1  ILE 104          HD11      ILE 104   4.626   7.063 -13.870
  769   2HD1  ILE 104          HD12      ILE 104   4.247   7.935 -15.386
  770   3HD1  ILE 104          HD13      ILE 104   3.924   6.189 -15.241
  771    H    SER 105           H        SER 105   9.352   8.677 -17.003
  772    HA   SER 105           HA       SER 105  10.719  10.534 -15.458
  773   1HB   SER 105          HB2       SER 105  11.444   9.572 -18.253
  774   2HB   SER 105          HB3       SER 105  12.530  10.176 -17.011
  775    HG   SER 105           HG       SER 105  12.428   7.874 -17.082
  776    H    THR 106           H        THR 106   9.526  10.944 -18.880
  777    HA   THR 106           HA       THR 106  10.550  13.544 -19.112
  778    HB   THR 106           HB       THR 106   8.739  13.804 -20.929
  779    HG1  THR 106           HG1      THR 106   7.267  12.241 -20.265
  780   1HG2  THR 106          HG21      THR 106  10.682  11.453 -21.023
  781   2HG2  THR 106          HG22      THR 106   9.924  12.246 -22.425
  782   3HG2  THR 106          HG23      THR 106  11.044  13.150 -21.410
  783    H    GLU 107           H        GLU 107   7.290  12.567 -17.877
  784    HA   GLU 107           HA       GLU 107   6.358  15.238 -17.590
  785   1HB   GLU 107          HB2       GLU 107   5.658  12.628 -16.184
  786   2HB   GLU 107          HB3       GLU 107   4.829  14.141 -15.823
  787   1HG   GLU 107          HG2       GLU 107   4.966  12.904 -18.609
  788   2HG   GLU 107          HG3       GLU 107   3.644  12.663 -17.473
  789    H    LYS 108           H        LYS 108   8.039  13.058 -15.258
  790    HA   LYS 108           HA       LYS 108   7.989  14.940 -13.100
  791   1HB   LYS 108          HB2       LYS 108   9.753  12.531 -13.715
  792   2HB   LYS 108          HB3       LYS 108   9.896  13.492 -12.236
  793   1HG   LYS 108          HG2       LYS 108   7.645  13.015 -11.557
  794   2HG   LYS 108          HG3       LYS 108   7.313  12.137 -13.060
  795   1HD   LYS 108          HD2       LYS 108   8.937  10.433 -12.524
  796   2HD   LYS 108          HD3       LYS 108   9.517  11.309 -11.103
  797   1HE   LYS 108          HE2       LYS 108   6.588  10.559 -11.351
  798   2HE   LYS 108          HE3       LYS 108   7.762   9.344 -10.822
  799   1HZ   LYS 108          HZ1       LYS 108   8.123  10.393  -8.888
  800   2HZ   LYS 108          HZ2       LYS 108   7.897  11.903  -9.435
  801   3HZ   LYS 108          HZ3       LYS 108   6.593  10.940  -9.104
  802    H    ILE 109           H        ILE 109  10.562  14.246 -15.539
  803    HA   ILE 109           HA       ILE 109  12.439  16.093 -14.445
  804    HB   ILE 109           HB       ILE 109  12.069  14.858 -17.174
  805   1HG1  ILE 109          HG12      ILE 109  14.243  14.300 -15.103
  806   2HG1  ILE 109          HG13      ILE 109  12.731  13.405 -15.162
  807   1HG2  ILE 109          HG21      ILE 109  14.290  15.593 -17.858
  808   2HG2  ILE 109          HG22      ILE 109  13.368  17.022 -17.432
  809   3HG2  ILE 109          HG23      ILE 109  14.574  16.369 -16.300
  810   1HD1  ILE 109          HD11      ILE 109  14.411  12.122 -16.314
  811   2HD1  ILE 109          HD12      ILE 109  13.255  12.712 -17.522
  812   3HD1  ILE 109          HD13      ILE 109  14.849  13.482 -17.349
  813    H    LYS 110           H        LYS 110   9.881  16.551 -17.051
  814    HA   LYS 110           HA       LYS 110  10.644  19.273 -17.498
  815   1HB   LYS 110          HB2       LYS 110   7.978  17.853 -17.899
  816   2HB   LYS 110          HB3       LYS 110   8.267  19.544 -18.340
  817   1HG   LYS 110          HG2       LYS 110  10.110  18.872 -19.850
  818   2HG   LYS 110          HG3       LYS 110   9.850  17.185 -19.419
  819   1HD   LYS 110          HD2       LYS 110   8.837  17.552 -21.543
  820   2HD   LYS 110          HD3       LYS 110   7.548  17.296 -20.357
  821   1HE   LYS 110          HE2       LYS 110   7.182  19.756 -20.224
  822   2HE   LYS 110          HE3       LYS 110   8.508  20.024 -21.364
  823   1HZ   LYS 110          HZ1       LYS 110   7.215  18.837 -23.042
  824   2HZ   LYS 110          HZ2       LYS 110   5.993  18.579 -21.984
  825   3HZ   LYS 110          HZ3       LYS 110   6.358  20.093 -22.459
  826    H    ALA 111           H        ALA 111   8.402  17.851 -15.063
  827    HA   ALA 111           HA       ALA 111   7.506  20.379 -14.071
  828   1HB   ALA 111          HB1       ALA 111   6.738  19.069 -12.122
  829   2HB   ALA 111          HB2       ALA 111   6.305  18.277 -13.649
  830   3HB   ALA 111          HB3       ALA 111   7.665  17.663 -12.684
  831    H    LYS 112           H        LYS 112  10.163  18.195 -12.958
  832    HA   LYS 112           HA       LYS 112  10.867  19.992 -10.770
  833   1HB   LYS 112          HB2       LYS 112  11.890  17.325 -11.785
  834   2HB   LYS 112          HB3       LYS 112  12.856  18.261 -10.658
  835   1HG   LYS 112          HG2       LYS 112  11.511  16.639  -9.454
  836   2HG   LYS 112          HG3       LYS 112  11.106  18.293  -8.998
  837   1HD   LYS 112          HD2       LYS 112   9.035  18.176 -10.381
  838   2HD   LYS 112          HD3       LYS 112   9.484  16.543 -10.894
  839   1HE   LYS 112          HE2       LYS 112   7.795  16.388  -9.208
  840   2HE   LYS 112          HE3       LYS 112   9.304  15.751  -8.571
  841   1HZ   LYS 112          HZ1       LYS 112   8.162  17.183  -6.974
  842   2HZ   LYS 112          HZ2       LYS 112   9.593  17.858  -7.361
  843   3HZ   LYS 112          HZ3       LYS 112   8.204  18.450  -7.990
  844    H    TYR 113           H        TYR 113  11.786  19.808 -14.080
  845    HA   TYR 113           HA       TYR 113  13.111  20.975 -15.362
  846   1HB   TYR 113          HB2       TYR 113  11.820  22.739 -14.000
  847   2HB   TYR 113          HB3       TYR 113  13.331  23.066 -13.186
  848    HD1  TYR 113           HD1      TYR 113  11.597  23.019 -16.493
  849    HD2  TYR 113           HD2      TYR 113  14.953  24.526 -14.237
  850    HE1  TYR 113           HE1      TYR 113  12.040  24.688 -18.269
  851    HE2  TYR 113           HE2      TYR 113  15.414  26.186 -16.012
  852    HH   TYR 113           HH       TYR 113  14.717  27.075 -18.047
  853    HA   PRO 114           HA       PRO 114  17.237  19.874 -13.223
  854   1HB   PRO 114          HB2       PRO 114  17.153  17.481 -15.019
  855   2HB   PRO 114          HB3       PRO 114  17.769  17.612 -13.346
  856   1HG   PRO 114          HG2       PRO 114  15.410  16.365 -13.919
  857   2HG   PRO 114          HG3       PRO 114  15.606  17.360 -12.440
  858   1HD   PRO 114          HD2       PRO 114  14.336  18.155 -15.073
  859   2HD   PRO 114          HD3       PRO 114  13.758  18.379 -13.400
  860    H    ASP 115           H        ASP 115  15.664  19.846 -16.361
  861    HA   ASP 115           HA       ASP 115  17.866  21.251 -17.672
  862   1HB   ASP 115          HB2       ASP 115  18.164  18.779 -18.186
  863   2HB   ASP 115          HB3       ASP 115  16.555  18.791 -18.914
  864    H    TYR 116           H        TYR 116  16.921  22.136 -19.801
  865    HA   TYR 116           HA       TYR 116  14.715  23.744 -19.170
  866   1HB   TYR 116          HB2       TYR 116  15.905  23.012 -21.875
  867   2HB   TYR 116          HB3       TYR 116  14.702  24.267 -21.645
  868    HD1  TYR 116           HD1      TYR 116  18.242  23.348 -21.056
  869    HD2  TYR 116           HD2      TYR 116  15.236  26.409 -20.627
  870    HE1  TYR 116           HE1      TYR 116  20.013  25.004 -20.559
  871    HE2  TYR 116           HE2      TYR 116  16.998  28.079 -20.134
  872    HH   TYR 116           HH       TYR 116  20.494  27.228 -20.043
  873    H    GLU 117           H        GLU 117  14.777  20.655 -20.932
  874    HA   GLU 117           HA       GLU 117  12.022  20.057 -20.606
  875   1HB   GLU 117          HB2       GLU 117  11.641  21.702 -22.331
  876   2HB   GLU 117          HB3       GLU 117  12.985  21.126 -23.288
  877   1HG   GLU 117          HG2       GLU 117  11.719  19.088 -23.864
  878   2HG   GLU 117          HG3       GLU 117  10.394  19.612 -22.805
  879    H    VAL 118           H        VAL 118  11.726  17.891 -22.098
  880    HA   VAL 118           HA       VAL 118  14.188  16.519 -22.726
  881    HB   VAL 118           HB       VAL 118  14.160  16.224 -20.322
  882   1HG1  VAL 118          HG11      VAL 118  12.251  14.895 -19.276
  883   2HG1  VAL 118          HG12      VAL 118  12.003  16.617 -19.584
  884   3HG1  VAL 118          HG13      VAL 118  11.273  15.402 -20.660
  885   1HG2  VAL 118          HG21      VAL 118  14.273  13.868 -20.074
  886   2HG2  VAL 118          HG22      VAL 118  13.219  13.584 -21.469
  887   3HG2  VAL 118          HG23      VAL 118  14.836  14.260 -21.700
  888    H    THR 119           H        THR 119  13.588  14.310 -23.651
  889    HA   THR 119           HA       THR 119  10.838  14.095 -24.706
  890    HB   THR 119           HB       THR 119  12.107  13.630 -26.993
  891    HG1  THR 119           HG1      THR 119  13.873  15.346 -25.578
  892   1HG2  THR 119          HG21      THR 119  11.772  15.937 -27.708
  893   2HG2  THR 119          HG22      THR 119  10.430  15.423 -26.673
  894   3HG2  THR 119          HG23      THR 119  11.694  16.492 -26.023
  895    H    TRP 120           H        TRP 120  10.664  11.827 -25.902
  896    HA   TRP 120           HA       TRP 120  12.676   9.942 -24.997
  897   1HB   TRP 120          HB2       TRP 120  11.255   8.494 -23.753
  898   2HB   TRP 120          HB3       TRP 120  11.076  10.078 -23.044
  899    HD1  TRP 120           HD1      TRP 120   8.686  11.363 -24.145
  900    HE1  TRP 120           HE1      TRP 120   6.341  10.360 -24.096
  901    HE3  TRP 120           HE3      TRP 120   9.940   6.403 -24.107
  902    HZ2  TRP 120           HZ2      TRP 120   5.144   7.724 -24.074
  903    HZ3  TRP 120           HZ3      TRP 120   8.177   4.671 -23.982
  904    HH2  TRP 120           HH2      TRP 120   5.777   5.315 -23.983
  905    H    ALA 121           H        ALA 121  12.167   7.705 -25.664
  906    HA   ALA 121           HA       ALA 121  10.177   7.357 -27.752
  907   1HB   ALA 121          HB1       ALA 121  11.770   6.178 -29.270
  908   2HB   ALA 121          HB2       ALA 121  12.196   7.900 -29.118
  909   3HB   ALA 121          HB3       ALA 121  13.125   6.654 -28.236
  910    H    ASN 122           H        ASN 122   9.491   5.197 -27.777
  911    HA   ASN 122           HA       ASN 122  10.109   3.652 -25.375
  912   1HB   ASN 122          HB2       ASN 122   8.164   2.443 -25.851
  913   2HB   ASN 122          HB3       ASN 122   7.766   4.098 -26.290
  914   1HD2  ASN 122          HD22      ASN 122   6.879   1.215 -27.261
  915   2HD2  ASN 122          HD21      ASN 122   6.913   1.382 -28.995
  916    H    ASP 123           H        ASP 123  12.209   3.875 -27.535
  917    HA   ASP 123           HA       ASP 123  12.695   1.044 -28.103
  918   1HB   ASP 123          HB2       ASP 123  12.387   1.081 -30.308
  919   2HB   ASP 123          HB3       ASP 123  11.348   2.479 -30.033
  920    H    GLY 124           H        GLY 124  14.925   0.773 -29.003
  921   1HA   GLY 124          HA2       GLY 124  16.875   2.364 -29.656
  922   2HA   GLY 124          HA3       GLY 124  16.836   2.791 -27.943
  923    H    TYR 125           H        TYR 125  19.144   1.813 -28.760
  924    HA   TYR 125           HA       TYR 125  19.413  -0.743 -27.363
  925   1HB   TYR 125          HB2       TYR 125  20.531  -0.219 -30.161
  926   2HB   TYR 125          HB3       TYR 125  21.034  -1.527 -29.107
  927    HD1  TYR 125           HD1      TYR 125  18.429  -0.349 -31.412
  928    HD2  TYR 125           HD2      TYR 125  19.510  -3.420 -28.584
  929    HE1  TYR 125           HE1      TYR 125  16.619  -1.794 -32.298
  930    HE2  TYR 125           HE2      TYR 125  17.704  -4.875 -29.456
  931    HH   TYR 125           HH       TYR 125  15.962  -5.081 -30.992
  Start of MODEL   16
    1   1H    MET   1          H1        MET   1  10.541  13.570  16.327
    2   2H    MET   1          H2        MET   1  10.676  15.180  16.622
    3   3H    MET   1          H3        MET   1   9.202  14.504  16.387
    4    HA   MET   1           HA       MET   1   9.839  15.701  14.434
    5   1HB   MET   1          HB2       MET   1  12.300  15.483  14.800
    6   2HB   MET   1          HB3       MET   1  12.211  13.778  14.339
    7   1HG   MET   1          HG2       MET   1  11.383  14.448  12.091
    8   2HG   MET   1          HG3       MET   1  11.462  16.147  12.572
    9   1HE   MET   1          HE1       MET   1  14.311  15.766   9.897
   10   2HE   MET   1          HE2       MET   1  12.753  14.909   9.926
   11   3HE   MET   1          HE3       MET   1  12.829  16.634  10.357
   12    H    ALA   2           H        ALA   2   8.399  15.057  12.896
   13    HA   ALA   2           HA       ALA   2   7.198  12.485  12.872
   14   1HB   ALA   2          HB1       ALA   2   6.095  14.553  12.065
   15   2HB   ALA   2          HB2       ALA   2   7.248  14.641  10.709
   16   3HB   ALA   2          HB3       ALA   2   6.096  13.296  10.816
   17    H    VAL   3           H        VAL   3   7.120  10.988  10.973
   18    HA   VAL   3           HA       VAL   3   9.725  10.119  10.122
   19    HB   VAL   3           HB       VAL   3   8.439   8.442   8.888
   20   1HG1  VAL   3          HG11      VAL   3   8.933   8.196  11.352
   21   2HG1  VAL   3          HG12      VAL   3   7.289   8.756  11.692
   22   3HG1  VAL   3          HG13      VAL   3   7.547   7.259  10.774
   23   1HG2  VAL   3          HG21      VAL   3   6.445   9.786   8.225
   24   2HG2  VAL   3          HG22      VAL   3   6.019   8.263   9.005
   25   3HG2  VAL   3          HG23      VAL   3   5.892   9.780   9.912
   26    H    ALA   4           H        ALA   4  10.346   9.843   7.820
   27    HA   ALA   4           HA       ALA   4   9.907  12.210   6.193
   28   1HB   ALA   4          HB1       ALA   4  11.242  11.017   4.513
   29   2HB   ALA   4          HB2       ALA   4  12.032  10.908   6.095
   30   3HB   ALA   4          HB3       ALA   4  11.146   9.518   5.441
   31    H    ASP   5           H        ASP   5   9.070  11.815   3.816
   32    HA   ASP   5           HA       ASP   5   6.740   9.996   3.727
   33   1HB   ASP   5          HB2       ASP   5   5.856  12.036   4.778
   34   2HB   ASP   5          HB3       ASP   5   6.587  13.034   3.519
   35    H    LEU   6           H        LEU   6   5.986   9.713   1.569
   36    HA   LEU   6           HA       LEU   6   7.943   9.431  -0.379
   37   1HB   LEU   6          HB2       LEU   6   4.918   9.677  -0.591
   38   2HB   LEU   6          HB3       LEU   6   5.949   9.221  -1.925
   39    HG   LEU   6           HG       LEU   6   5.727   7.634   0.638
   40   1HD1  LEU   6          HD11      LEU   6   3.606   7.607  -0.567
   41   2HD1  LEU   6          HD12      LEU   6   4.415   7.211  -2.091
   42   3HD1  LEU   6          HD13      LEU   6   4.401   6.039  -0.770
   43   1HD2  LEU   6          HD21      LEU   6   6.800   5.811  -0.672
   44   2HD2  LEU   6          HD22      LEU   6   7.064   6.930  -2.012
   45   3HD2  LEU   6          HD23      LEU   6   7.866   7.188  -0.444
   46    H    ALA   7           H        ALA   7   5.875  12.313   0.173
   47    HA   ALA   7           HA       ALA   7   6.524  13.502  -2.353
   48   1HB   ALA   7          HB1       ALA   7   5.435  15.494  -1.411
   49   2HB   ALA   7          HB2       ALA   7   4.462  14.044  -1.094
   50   3HB   ALA   7          HB3       ALA   7   5.449  14.761   0.205
   51    H    LEU   8           H        LEU   8   8.165  13.300   0.733
   52    HA   LEU   8           HA       LEU   8   9.796  15.724   0.305
   53   1HB   LEU   8          HB2       LEU   8   9.878  13.612   2.500
   54   2HB   LEU   8          HB3       LEU   8  10.808  15.102   2.474
   55    HG   LEU   8           HG       LEU   8   7.765  14.944   2.626
   56   1HD1  LEU   8          HD11      LEU   8   8.064  15.702   4.947
   57   2HD1  LEU   8          HD12      LEU   8   8.866  14.151   4.680
   58   3HD1  LEU   8          HD13      LEU   8   9.831  15.641   4.756
   59   1HD2  LEU   8          HD21      LEU   8   7.896  17.371   3.166
   60   2HD2  LEU   8          HD22      LEU   8   9.635  17.349   2.795
   61   3HD2  LEU   8          HD23      LEU   8   8.434  17.024   1.523
   62    H    ILE   9           H        ILE   9   9.937  12.297  -0.348
   63    HA   ILE   9           HA       ILE   9  12.725  11.875  -0.395
   64    HB   ILE   9           HB       ILE   9  10.523  10.672  -2.115
   65   1HG1  ILE   9          HG12      ILE   9  11.878   9.775   0.475
   66   2HG1  ILE   9          HG13      ILE   9  10.218  10.336   0.306
   67   1HG2  ILE   9          HG21      ILE   9  12.753  10.344  -3.176
   68   2HG2  ILE   9          HG22      ILE   9  13.362   9.665  -1.655
   69   3HG2  ILE   9          HG23      ILE   9  12.095   8.833  -2.583
   70   1HD1  ILE   9          HD11      ILE   9   9.781   8.369  -1.228
   71   2HD1  ILE   9          HD12      ILE   9  11.359   7.737  -0.700
   72   3HD1  ILE   9          HD13      ILE   9  10.077   8.000   0.489
   73    HA   PRO  10           HA       PRO  10  13.860  14.651  -3.858
   74   1HB   PRO  10          HB2       PRO  10  16.029  12.580  -4.249
   75   2HB   PRO  10          HB3       PRO  10  16.154  14.364  -4.243
   76   1HG   PRO  10          HG2       PRO  10  16.899  12.920  -2.068
   77   2HG   PRO  10          HG3       PRO  10  15.972  14.442  -1.867
   78   1HD   PRO  10          HD2       PRO  10  14.948  11.596  -1.778
   79   2HD   PRO  10          HD3       PRO  10  14.566  12.977  -0.703
   80    H    ASP  11           H        ASP  11  12.447  14.504  -5.538
   81    HA   ASP  11           HA       ASP  11  11.511  11.984  -6.482
   82   1HB   ASP  11          HB2       ASP  11  10.270  14.211  -6.213
   83   2HB   ASP  11          HB3       ASP  11  10.985  14.689  -7.755
   84    H    VAL  12           H        VAL  12  13.750  14.368  -7.868
   85    HA   VAL  12           HA       VAL  12  14.497  12.484 -10.035
   86    HB   VAL  12           HB       VAL  12  13.896  15.461 -10.376
   87   1HG1  VAL  12          HG11      VAL  12  14.393  15.078 -12.777
   88   2HG1  VAL  12          HG12      VAL  12  15.813  14.809 -11.771
   89   3HG1  VAL  12          HG13      VAL  12  14.907  13.417 -12.414
   90   1HG2  VAL  12          HG21      VAL  12  12.173  14.759 -11.981
   91   2HG2  VAL  12          HG22      VAL  12  12.492  13.052 -11.609
   92   3HG2  VAL  12          HG23      VAL  12  11.815  14.121 -10.372
   93    H    ASP  13           H        ASP  13  16.742  12.393 -10.223
   94    HA   ASP  13           HA       ASP  13  18.343  14.686  -9.441
   95   1HB   ASP  13          HB2       ASP  13  18.197  13.522  -7.268
   96   2HB   ASP  13          HB3       ASP  13  18.780  12.036  -8.015
   97    H    ILE  14           H        ILE  14  19.200  14.888 -11.385
   98    HA   ILE  14           HA       ILE  14  20.860  12.823 -12.592
   99    HB   ILE  14           HB       ILE  14  19.851  13.134 -14.818
  100   1HG1  ILE  14          HG12      ILE  14  17.540  14.578 -13.442
  101   2HG1  ILE  14          HG13      ILE  14  18.773  15.357 -14.432
  102   1HG2  ILE  14          HG21      ILE  14  17.754  12.089 -12.877
  103   2HG2  ILE  14          HG22      ILE  14  17.991  11.614 -14.566
  104   3HG2  ILE  14          HG23      ILE  14  19.217  11.206 -13.367
  105   1HD1  ILE  14          HD11      ILE  14  18.058  13.975 -16.386
  106   2HD1  ILE  14          HD12      ILE  14  16.723  13.331 -15.395
  107   3HD1  ILE  14          HD13      ILE  14  16.799  15.059 -15.764
  108    H    ASP  15           H        ASP  15  22.022  13.987 -14.545
  109    HA   ASP  15           HA       ASP  15  22.345  16.909 -14.046
  110   1HB   ASP  15          HB2       ASP  15  24.191  15.873 -12.915
  111   2HB   ASP  15          HB3       ASP  15  24.531  14.829 -14.302
  112    H    SER  16           H        SER  16  21.286  17.597 -15.830
  113    HA   SER  16           HA       SER  16  21.140  16.395 -18.312
  114   1HB   SER  16          HB2       SER  16  21.003  19.376 -17.748
  115   2HB   SER  16          HB3       SER  16  20.105  18.467 -18.976
  116    HG   SER  16           HG       SER  16  19.069  19.081 -16.867
  117    H    ASP  17           H        ASP  17  23.976  17.990 -17.067
  118    HA   ASP  17           HA       ASP  17  24.973  18.892 -19.670
  119   1HB   ASP  17          HB2       ASP  17  25.644  19.952 -17.523
  120   2HB   ASP  17          HB3       ASP  17  26.414  18.439 -17.034
  121    H    GLY  18           H        GLY  18  24.623  15.817 -18.153
  122   1HA   GLY  18          HA2       GLY  18  26.998  14.651 -19.551
  123   2HA   GLY  18          HA3       GLY  18  26.290  14.071 -18.050
  124    H    VAL  19           H        VAL  19  26.670  12.198 -19.752
  125    HA   VAL  19           HA       VAL  19  24.047  11.403 -20.867
  126    HB   VAL  19           HB       VAL  19  26.769  11.250 -22.267
  127   1HG1  VAL  19          HG11      VAL  19  24.090  10.100 -23.125
  128   2HG1  VAL  19          HG12      VAL  19  25.544  10.172 -24.142
  129   3HG1  VAL  19          HG13      VAL  19  25.535   9.179 -22.682
  130   1HG2  VAL  19          HG21      VAL  19  25.629  12.547 -24.083
  131   2HG2  VAL  19          HG22      VAL  19  24.230  12.768 -23.004
  132   3HG2  VAL  19          HG23      VAL  19  25.808  13.457 -22.585
  133    H    PHE  20           H        PHE  20  23.574   9.403 -19.976
  134    HA   PHE  20           HA       PHE  20  25.552   7.478 -19.140
  135   1HB   PHE  20          HB2       PHE  20  24.951   7.797 -16.642
  136   2HB   PHE  20          HB3       PHE  20  26.134   8.862 -17.360
  137    HD1  PHE  20           HD1      PHE  20  25.991  11.154 -16.985
  138    HD2  PHE  20           HD2      PHE  20  22.395   8.779 -16.729
  139    HE1  PHE  20           HE1      PHE  20  24.681  13.178 -16.408
  140    HE2  PHE  20           HE2      PHE  20  21.103  10.805 -16.154
  141    HZ   PHE  20           HZ       PHE  20  22.227  13.012 -16.063
  142    H    LYS  21           H        LYS  21  24.446   5.817 -17.655
  143    HA   LYS  21           HA       LYS  21  21.829   5.203 -18.807
  144   1HB   LYS  21          HB2       LYS  21  23.583   3.688 -16.832
  145   2HB   LYS  21          HB3       LYS  21  22.030   3.117 -17.457
  146   1HG   LYS  21          HG2       LYS  21  22.885   3.152 -19.768
  147   2HG   LYS  21          HG3       LYS  21  24.458   3.737 -19.186
  148   1HD   LYS  21          HD2       LYS  21  24.672   1.692 -17.785
  149   2HD   LYS  21          HD3       LYS  21  23.159   1.070 -18.476
  150   1HE   LYS  21          HE2       LYS  21  24.149   1.120 -20.737
  151   2HE   LYS  21          HE3       LYS  21  25.636   1.831 -20.091
  152   1HZ   LYS  21          HZ1       LYS  21  25.955  -0.203 -18.792
  153   2HZ   LYS  21          HZ2       LYS  21  24.625  -0.885 -19.479
  154   3HZ   LYS  21          HZ3       LYS  21  25.921  -0.519 -20.398
  155    H    TYR  22           H        TYR  22  20.023   4.553 -17.364
  156    HA   TYR  22           HA       TYR  22  19.860   6.053 -14.833
  157   1HB   TYR  22          HB2       TYR  22  18.709   7.728 -15.689
  158   2HB   TYR  22          HB3       TYR  22  18.978   7.128 -17.304
  159    HD1  TYR  22           HD1      TYR  22  16.497   8.186 -15.096
  160    HD2  TYR  22           HD2      TYR  22  17.303   5.045 -17.921
  161    HE1  TYR  22           HE1      TYR  22  14.064   7.810 -15.386
  162    HE2  TYR  22           HE2      TYR  22  14.886   4.605 -18.153
  163    HH   TYR  22           HH       TYR  22  12.441   6.753 -16.626
  164    H    VAL  23           H        VAL  23  17.666   5.573 -13.775
  165    HA   VAL  23           HA       VAL  23  16.380   3.126 -14.676
  166    HB   VAL  23           HB       VAL  23  18.360   2.422 -13.254
  167   1HG1  VAL  23          HG11      VAL  23  16.733   3.550 -10.949
  168   2HG1  VAL  23          HG12      VAL  23  18.221   2.605 -10.828
  169   3HG1  VAL  23          HG13      VAL  23  18.246   4.227 -11.554
  170   1HG2  VAL  23          HG21      VAL  23  17.192   0.703 -12.028
  171   2HG2  VAL  23          HG22      VAL  23  15.647   1.564 -12.194
  172   3HG2  VAL  23          HG23      VAL  23  16.486   0.914 -13.626
  173    H    LEU  24           H        LEU  24  14.337   2.816 -13.619
  174    HA   LEU  24           HA       LEU  24  13.195   5.287 -12.383
  175   1HB   LEU  24          HB2       LEU  24  12.451   4.873 -14.714
  176   2HB   LEU  24          HB3       LEU  24  11.982   3.231 -14.286
  177    HG   LEU  24           HG       LEU  24  10.228   4.158 -12.735
  178   1HD1  LEU  24          HD11      LEU  24   9.637   6.575 -12.983
  179   2HD1  LEU  24          HD12      LEU  24  11.194   6.343 -12.180
  180   3HD1  LEU  24          HD13      LEU  24  11.140   6.825 -13.890
  181   1HD2  LEU  24          HD21      LEU  24   9.700   3.530 -15.051
  182   2HD2  LEU  24          HD22      LEU  24   8.732   4.912 -14.526
  183   3HD2  LEU  24          HD23      LEU  24  10.124   5.170 -15.607
  184    H    ILE  25           H        ILE  25  12.687   4.783 -10.224
  185    HA   ILE  25           HA       ILE  25  11.976   1.963  -9.653
  186    HB   ILE  25           HB       ILE  25  13.977   1.695  -8.977
  187   1HG1  ILE  25          HG12      ILE  25  12.557   1.495  -6.941
  188   2HG1  ILE  25          HG13      ILE  25  14.297   1.546  -6.730
  189   1HG2  ILE  25          HG21      ILE  25  15.683   3.146  -8.083
  190   2HG2  ILE  25          HG22      ILE  25  15.045   3.765  -9.612
  191   3HG2  ILE  25          HG23      ILE  25  14.548   4.526  -8.098
  192   1HD1  ILE  25          HD11      ILE  25  14.267   3.816  -5.926
  193   2HD1  ILE  25          HD12      ILE  25  12.507   3.920  -6.192
  194   3HD1  ILE  25          HD13      ILE  25  13.175   2.810  -4.995
  195    H    ARG  26           H        ARG  26  10.360   1.569  -8.470
  196    HA   ARG  26           HA       ARG  26   8.589   3.722  -7.547
  197   1HB   ARG  26          HB2       ARG  26   7.704   1.775  -8.718
  198   2HB   ARG  26          HB3       ARG  26   8.420   0.671  -7.546
  199   1HG   ARG  26          HG2       ARG  26   6.911   1.279  -5.832
  200   2HG   ARG  26          HG3       ARG  26   6.446   2.789  -6.621
  201   1HD   ARG  26          HD2       ARG  26   5.810   0.036  -7.763
  202   2HD   ARG  26          HD3       ARG  26   4.701   0.968  -6.732
  203    HE   ARG  26           HE       ARG  26   5.420   2.764  -8.669
  204   1HH1  ARG  26          HH11      ARG  26   3.829  -0.416  -8.797
  205   2HH1  ARG  26          HH12      ARG  26   3.021  -0.095 -10.285
  206   1HH2  ARG  26          HH21      ARG  26   4.433   3.179 -10.630
  207   2HH2  ARG  26          HH22      ARG  26   3.342   2.028 -11.344
  208    H    VAL  27           H        VAL  27   8.143   4.087  -5.393
  209    HA   VAL  27           HA       VAL  27   9.668   2.642  -3.297
  210    HB   VAL  27           HB       VAL  27   8.967   5.620  -3.340
  211   1HG1  VAL  27          HG11      VAL  27   9.233   4.636  -1.087
  212   2HG1  VAL  27          HG12      VAL  27  10.833   4.006  -1.552
  213   3HG1  VAL  27          HG13      VAL  27  10.552   5.749  -1.457
  214   1HG2  VAL  27          HG21      VAL  27  11.682   4.392  -3.937
  215   2HG2  VAL  27          HG22      VAL  27  10.670   5.313  -5.080
  216   3HG2  VAL  27          HG23      VAL  27  11.358   6.118  -3.674
  217    H    HIS  28           H        HIS  28   8.308   2.060  -1.589
  218    HA   HIS  28           HA       HIS  28   5.425   2.841  -1.735
  219   1HB   HIS  28          HB2       HIS  28   6.741   0.491  -0.315
  220   2HB   HIS  28          HB3       HIS  28   5.014   0.791  -0.495
  221    HD1  HIS  28           HD1      HIS  28   4.233   0.773  -3.312
  222    HD2  HIS  28           HD2      HIS  28   7.790  -1.111  -2.077
  223    HE1  HIS  28           HE1      HIS  28   4.827  -0.908  -5.125
  224    H    SER  29           H        SER  29   4.481   3.729   0.221
  225    HA   SER  29           HA       SER  29   6.319   5.185   1.843
  226   1HB   SER  29          HB2       SER  29   4.211   5.767   3.154
  227   2HB   SER  29          HB3       SER  29   4.273   6.236   1.471
  228    HG   SER  29           HG       SER  29   2.784   4.226   2.698
  229    H    ALA  30           H        ALA  30   7.672   4.072   3.163
  230    HA   ALA  30           HA       ALA  30   6.439   3.015   5.576
  231   1HB   ALA  30          HB1       ALA  30   6.695   0.990   4.178
  232   2HB   ALA  30          HB2       ALA  30   8.434   1.298   4.041
  233   3HB   ALA  30          HB3       ALA  30   7.715   0.926   5.616
  234    HA   PRO  31           HA       PRO  31  10.903   5.058   6.013
  235   1HB   PRO  31          HB2       PRO  31   9.209   7.504   6.544
  236   2HB   PRO  31          HB3       PRO  31  10.954   7.400   6.133
  237   1HG   PRO  31          HG2       PRO  31   9.140   7.939   4.183
  238   2HG   PRO  31          HG3       PRO  31  10.458   6.780   3.879
  239   1HD   PRO  31          HD2       PRO  31   7.570   6.207   4.573
  240   2HD   PRO  31          HD3       PRO  31   8.660   5.388   3.411
  241    H    ARG  32           H        ARG  32  11.701   4.909   8.011
  242    HA   ARG  32           HA       ARG  32  11.809   4.083  10.113
  243   1HB   ARG  32          HB2       ARG  32  10.312   6.693  10.301
  244   2HB   ARG  32          HB3       ARG  32  10.759   5.826  11.774
  245   1HG   ARG  32          HG2       ARG  32  13.072   5.990  11.364
  246   2HG   ARG  32          HG3       ARG  32  12.856   6.378   9.657
  247   1HD   ARG  32          HD2       ARG  32  13.581   8.327  10.994
  248   2HD   ARG  32          HD3       ARG  32  12.057   8.568  10.126
  249    HE   ARG  32           HE       ARG  32  11.713   7.670  12.881
  250   1HH1  ARG  32          HH21      ARG  32  12.367  10.567  10.953
  251   2HH1  ARG  32          HH22      ARG  32  11.236  11.571  11.792
  252   1HH2  ARG  32          HH12      ARG  32  10.419   9.080  14.200
  253   2HH2  ARG  32          HH11      ARG  32  10.311  10.766  13.823
  254    H    SER  33           H        SER  33   9.592   2.861   8.594
  255    HA   SER  33           HA       SER  33   7.831   1.529   8.844
  256   1HB   SER  33          HB2       SER  33   8.932   1.032  11.632
  257   2HB   SER  33          HB3       SER  33   7.934  -0.064  10.663
  258    HG   SER  33           HG       SER  33  10.168  -0.578  10.558
  259    H    GLY  34           H        GLY  34   7.314   4.338   9.484
  260   1HA   GLY  34          HA2       GLY  34   4.935   4.041  11.276
  261   2HA   GLY  34          HA3       GLY  34   6.138   5.312  11.524
  262    H    ALA  35           H        ALA  35   5.522   4.481   8.202
  263    HA   ALA  35           HA       ALA  35   4.453   7.051   7.542
  264   1HB   ALA  35          HB1       ALA  35   4.084   6.056   5.324
  265   2HB   ALA  35          HB2       ALA  35   5.698   5.646   5.934
  266   3HB   ALA  35          HB3       ALA  35   4.387   4.434   5.973
  267    HA   PRO  36           HA       PRO  36   0.245   6.328   8.649
  268   1HB   PRO  36          HB2       PRO  36  -1.117   8.218   7.228
  269   2HB   PRO  36          HB3       PRO  36   0.075   8.638   8.494
  270   1HG   PRO  36          HG2       PRO  36   0.533   8.485   5.492
  271   2HG   PRO  36          HG3       PRO  36   0.945   9.833   6.605
  272   1HD   PRO  36          HD2       PRO  36   2.783   7.956   5.888
  273   2HD   PRO  36          HD3       PRO  36   2.744   8.630   7.545
  274    H    ALA  37           H        ALA  37   1.226   5.505   5.443
  275    HA   ALA  37           HA       ALA  37  -1.236   4.020   4.862
  276   1HB   ALA  37          HB1       ALA  37  -1.675   6.365   4.076
  277   2HB   ALA  37          HB2       ALA  37  -0.213   6.278   3.068
  278   3HB   ALA  37          HB3       ALA  37  -1.596   5.212   2.734
  279    H    ALA  38           H        ALA  38  -0.861   3.169   2.438
  280    HA   ALA  38           HA       ALA  38   1.959   2.329   2.019
  281   1HB   ALA  38          HB1       ALA  38  -0.498   0.531   1.867
  282   2HB   ALA  38          HB2       ALA  38   1.172   0.076   1.459
  283   3HB   ALA  38          HB3       ALA  38   0.752   0.479   3.134
  284    H    GLU  39           H        GLU  39   1.243   4.478   0.858
  285    HA   GLU  39           HA       GLU  39   0.080   4.029  -1.809
  286   1HB   GLU  39          HB2       GLU  39   1.360   6.469  -0.478
  287   2HB   GLU  39          HB3       GLU  39   0.688   6.461  -2.108
  288   1HG   GLU  39          HG2       GLU  39  -0.865   6.017   0.475
  289   2HG   GLU  39          HG3       GLU  39  -0.863   7.472  -0.509
  290    H    SER  40           H        SER  40   1.600   5.019  -3.638
  291    HA   SER  40           HA       SER  40   4.423   4.410  -3.187
  292   1HB   SER  40          HB2       SER  40   3.065   3.180  -5.590
  293   2HB   SER  40          HB3       SER  40   4.640   2.798  -4.892
  294    HG   SER  40           HG       SER  40   2.064   2.187  -3.843
  295    H    LYS  41           H        LYS  41   5.801   5.260  -4.878
  296    HA   LYS  41           HA       LYS  41   4.733   6.661  -7.142
  297   1HB   LYS  41          HB2       LYS  41   5.760   8.900  -6.604
  298   2HB   LYS  41          HB3       LYS  41   4.308   8.493  -5.727
  299   1HG   LYS  41          HG2       LYS  41   5.675   9.563  -4.183
  300   2HG   LYS  41          HG3       LYS  41   5.671   7.870  -3.748
  301   1HD   LYS  41          HD2       LYS  41   7.870   8.786  -3.379
  302   2HD   LYS  41          HD3       LYS  41   7.952   7.598  -4.656
  303   1HE   LYS  41          HE2       LYS  41   9.321   9.479  -5.249
  304   2HE   LYS  41          HE3       LYS  41   7.955   9.435  -6.353
  305   1HZ   LYS  41          HZ1       LYS  41   8.404  11.641  -5.614
  306   2HZ   LYS  41          HZ2       LYS  41   6.941  11.217  -5.032
  307   3HZ   LYS  41          HZ3       LYS  41   8.222  11.245  -4.004
  308    H    GLU  42           H        GLU  42   6.629   7.647  -8.425
  309    HA   GLU  42           HA       GLU  42   8.876   5.699  -8.207
  310   1HB   GLU  42          HB2       GLU  42   7.515   7.137 -10.515
  311   2HB   GLU  42          HB3       GLU  42   9.163   6.547 -10.660
  312   1HG   GLU  42          HG2       GLU  42   7.789   4.912 -11.616
  313   2HG   GLU  42          HG3       GLU  42   8.424   4.250 -10.116
  314    H    ILE  43           H        ILE  43  11.024   6.433  -8.644
  315    HA   ILE  43           HA       ILE  43  11.435   9.365  -8.705
  316    HB   ILE  43           HB       ILE  43  13.384   9.134  -7.242
  317   1HG1  ILE  43          HG12      ILE  43  12.434   6.296  -6.684
  318   2HG1  ILE  43          HG13      ILE  43  13.896   6.740  -7.566
  319   1HG2  ILE  43          HG21      ILE  43  11.071   9.772  -6.439
  320   2HG2  ILE  43          HG22      ILE  43  10.914   8.116  -5.805
  321   3HG2  ILE  43          HG23      ILE  43  12.181   9.204  -5.190
  322   1HD1  ILE  43          HD11      ILE  43  14.789   7.834  -5.511
  323   2HD1  ILE  43          HD12      ILE  43  13.350   7.300  -4.618
  324   3HD1  ILE  43          HD13      ILE  43  14.464   6.108  -5.288
  325    H    VAL  44           H        VAL  44  13.361   9.993  -9.700
  326    HA   VAL  44           HA       VAL  44  14.203   8.125 -11.879
  327    HB   VAL  44           HB       VAL  44  13.804  11.147 -11.727
  328   1HG1  VAL  44          HG11      VAL  44  15.635  10.710 -13.281
  329   2HG1  VAL  44          HG12      VAL  44  14.661   9.490 -14.121
  330   3HG1  VAL  44          HG13      VAL  44  14.188  11.199 -14.161
  331   1HG2  VAL  44          HG21      VAL  44  12.233   9.024 -13.237
  332   2HG2  VAL  44          HG22      VAL  44  11.671   9.928 -11.818
  333   3HG2  VAL  44          HG23      VAL  44  11.970  10.786 -13.327
  334    H    ARG  45           H        ARG  45  16.328   7.568 -11.862
  335    HA   ARG  45           HA       ARG  45  18.356   9.384 -10.618
  336   1HB   ARG  45          HB2       ARG  45  18.213   6.334 -10.374
  337   2HB   ARG  45          HB3       ARG  45  19.502   7.340  -9.760
  338   1HG   ARG  45          HG2       ARG  45  16.628   7.347  -8.723
  339   2HG   ARG  45          HG3       ARG  45  17.957   6.418  -8.080
  340   1HD   ARG  45          HD2       ARG  45  18.078   8.213  -6.645
  341   2HD   ARG  45          HD3       ARG  45  19.165   8.801  -7.899
  342    HE   ARG  45           HE       ARG  45  17.190   9.985  -8.869
  343   1HH1  ARG  45          HH21      ARG  45  17.214   9.438  -5.330
  344   2HH1  ARG  45          HH22      ARG  45  15.755  10.353  -5.098
  345   1HH2  ARG  45          HH11      ARG  45  15.323  11.090  -8.508
  346   2HH2  ARG  45          HH12      ARG  45  14.712  11.342  -6.881
  347    H    GLY  46           H        GLY  46  20.359   9.343 -11.750
  348   1HA   GLY  46          HA2       GLY  46  21.175   7.227 -13.423
  349   2HA   GLY  46          HA3       GLY  46  20.509   8.511 -14.451
  350    H    TYR  47           H        TYR  47  23.372   7.429 -13.623
  351    HA   TYR  47           HA       TYR  47  24.679  10.048 -13.597
  352   1HB   TYR  47          HB2       TYR  47  25.441   8.063 -11.435
  353   2HB   TYR  47          HB3       TYR  47  25.948   9.731 -11.599
  354    HD1  TYR  47           HD1      TYR  47  23.304   7.441 -10.527
  355    HD2  TYR  47           HD2      TYR  47  24.537  11.560 -10.674
  356    HE1  TYR  47           HE1      TYR  47  21.586   8.001  -8.818
  357    HE2  TYR  47           HE2      TYR  47  22.838  12.137  -8.965
  358    HH   TYR  47           HH       TYR  47  21.183  11.332  -7.540
  359    H    LYS  48           H        LYS  48  26.935   9.810 -14.206
  360    HA   LYS  48           HA       LYS  48  27.435   7.672 -15.996
  361   1HB   LYS  48          HB2       LYS  48  28.392  10.003 -16.060
  362   2HB   LYS  48          HB3       LYS  48  29.483   9.550 -14.740
  363   1HG   LYS  48          HG2       LYS  48  30.508   7.817 -16.168
  364   2HG   LYS  48          HG3       LYS  48  29.341   8.165 -17.461
  365   1HD   LYS  48          HD2       LYS  48  30.220  10.488 -17.608
  366   2HD   LYS  48          HD3       LYS  48  31.418  10.124 -16.363
  367   1HE   LYS  48          HE2       LYS  48  31.181   8.704 -19.060
  368   2HE   LYS  48          HE3       LYS  48  32.282  10.040 -18.724
  369   1HZ   LYS  48          HZ1       LYS  48  33.374   8.650 -17.061
  370   2HZ   LYS  48          HZ2       LYS  48  32.375   7.395 -17.393
  371   3HZ   LYS  48          HZ3       LYS  48  33.411   7.938 -18.524
  372    H    TRP  49           H        TRP  49  28.269   7.962 -12.531
  373    HA   TRP  49           HA       TRP  49  30.170   5.845 -12.571
  374   1HB   TRP  49          HB2       TRP  49  29.746   5.732 -10.100
  375   2HB   TRP  49          HB3       TRP  49  30.320   7.244 -10.757
  376    HD1  TRP  49           HD1      TRP  49  29.164   9.334  -9.978
  377    HE1  TRP  49           HE1      TRP  49  27.092   9.923  -8.621
  378    HE3  TRP  49           HE3      TRP  49  26.993   4.692  -9.758
  379    HZ2  TRP  49           HZ2      TRP  49  24.771   8.544  -7.533
  380    HZ3  TRP  49           HZ3      TRP  49  24.807   4.396  -8.682
  381    HH2  TRP  49           HH2      TRP  49  23.669   6.316  -7.560
  382    H    ALA  50           H        ALA  50  26.619   5.694 -12.653
  383    HA   ALA  50           HA       ALA  50  26.676   2.824 -12.007
  384   1HB   ALA  50          HB1       ALA  50  24.409   4.665 -12.821
  385   2HB   ALA  50          HB2       ALA  50  24.287   2.911 -12.521
  386   3HB   ALA  50          HB3       ALA  50  24.776   3.986 -11.205
  387    H    GLU  51           H        GLU  51  28.125   2.136 -13.626
  388    HA   GLU  51           HA       GLU  51  27.647   2.522 -16.428
  389   1HB   GLU  51          HB2       GLU  51  29.190   0.347 -14.937
  390   2HB   GLU  51          HB3       GLU  51  29.252   0.621 -16.684
  391   1HG   GLU  51          HG2       GLU  51  30.082   2.944 -16.255
  392   2HG   GLU  51          HG3       GLU  51  30.134   2.578 -14.528
  393    H    TYR  52           H        TYR  52  25.736   0.814 -14.215
  394    HA   TYR  52           HA       TYR  52  24.330  -0.572 -16.347
  395   1HB   TYR  52          HB2       TYR  52  24.178  -2.618 -14.691
  396   2HB   TYR  52          HB3       TYR  52  25.417  -2.488 -15.920
  397    HD1  TYR  52           HD1      TYR  52  27.721  -1.733 -15.334
  398    HD2  TYR  52           HD2      TYR  52  24.803  -2.745 -12.347
  399    HE1  TYR  52           HE1      TYR  52  29.551  -2.059 -13.678
  400    HE2  TYR  52           HE2      TYR  52  26.603  -3.080 -10.674
  401    HH   TYR  52           HH       TYR  52  30.081  -2.621 -11.476
  402    H    HIS  53           H        HIS  53  22.112  -0.867 -15.781
  403    HA   HIS  53           HA       HIS  53  21.015   1.117 -14.136
  404   1HB   HIS  53          HB2       HIS  53  19.524  -1.427 -14.842
  405   2HB   HIS  53          HB3       HIS  53  18.902   0.217 -14.719
  406    HD1  HIS  53           HD1      HIS  53  19.713  -2.215 -17.294
  407    HD2  HIS  53           HD2      HIS  53  20.270   1.923 -16.762
  408    HE1  HIS  53           HE1      HIS  53  20.237  -1.251 -19.596
  409    H    ALA  54           H        ALA  54  21.721  -2.296 -13.423
  410    HA   ALA  54           HA       ALA  54  20.353  -2.502 -10.962
  411   1HB   ALA  54          HB1       ALA  54  21.857  -4.388 -10.507
  412   2HB   ALA  54          HB2       ALA  54  21.274  -4.439 -12.179
  413   3HB   ALA  54          HB3       ALA  54  22.929  -3.889 -11.826
  414    H    ASP  55           H        ASP  55  23.393  -0.782 -11.683
  415    HA   ASP  55           HA       ASP  55  24.390  -0.881  -8.982
  416   1HB   ASP  55          HB2       ASP  55  25.744  -0.287 -11.081
  417   2HB   ASP  55          HB3       ASP  55  24.961   1.270 -11.050
  418    H    ILE  56           H        ILE  56  22.554   1.595 -10.842
  419    HA   ILE  56           HA       ILE  56  22.293   3.358  -8.581
  420    HB   ILE  56           HB       ILE  56  20.168   4.079 -10.148
  421   1HG1  ILE  56          HG12      ILE  56  22.132   2.820 -12.085
  422   2HG1  ILE  56          HG13      ILE  56  20.388   2.597 -11.947
  423   1HG2  ILE  56          HG21      ILE  56  21.503   5.941 -10.817
  424   2HG2  ILE  56          HG22      ILE  56  21.886   5.480  -9.165
  425   3HG2  ILE  56          HG23      ILE  56  23.003   5.045 -10.475
  426   1HD1  ILE  56          HD11      ILE  56  21.905   5.022 -12.980
  427   2HD1  ILE  56          HD12      ILE  56  20.893   3.899 -13.894
  428   3HD1  ILE  56          HD13      ILE  56  20.142   5.000 -12.711
  429    H    TYR  57           H        TYR  57  20.195   0.735  -9.921
  430    HA   TYR  57           HA       TYR  57  18.034   1.310  -8.148
  431   1HB   TYR  57          HB2       TYR  57  17.682  -0.247  -9.969
  432   2HB   TYR  57          HB3       TYR  57  18.936  -1.332  -9.365
  433    HD1  TYR  57           HD1      TYR  57  15.897   0.420  -7.961
  434    HD2  TYR  57           HD2      TYR  57  18.158  -3.240  -8.221
  435    HE1  TYR  57           HE1      TYR  57  14.319  -0.636  -6.391
  436    HE2  TYR  57           HE2      TYR  57  16.564  -4.335  -6.677
  437    HH   TYR  57           HH       TYR  57  13.763  -2.644  -5.214
  438    H    ASP  58           H        ASP  58  20.895  -0.947  -7.714
  439    HA   ASP  58           HA       ASP  58  20.109  -1.813  -5.145
  440   1HB   ASP  58          HB2       ASP  58  21.816  -2.972  -6.434
  441   2HB   ASP  58          HB3       ASP  58  22.884  -1.564  -6.360
  442    H    LYS  59           H        LYS  59  22.290   0.888  -6.087
  443    HA   LYS  59           HA       LYS  59  23.003   1.745  -3.488
  444   1HB   LYS  59          HB2       LYS  59  24.184   2.455  -5.423
  445   2HB   LYS  59          HB3       LYS  59  22.755   3.180  -6.157
  446   1HG   LYS  59          HG2       LYS  59  22.887   5.105  -4.954
  447   2HG   LYS  59          HG3       LYS  59  23.517   4.309  -3.491
  448   1HD   LYS  59          HD2       LYS  59  25.721   4.108  -4.428
  449   2HD   LYS  59          HD3       LYS  59  25.167   4.664  -6.015
  450   1HE   LYS  59          HE2       LYS  59  24.540   6.871  -4.975
  451   2HE   LYS  59          HE3       LYS  59  25.220   6.308  -3.442
  452   1HZ   LYS  59          HZ1       LYS  59  26.806   7.639  -4.681
  453   2HZ   LYS  59          HZ2       LYS  59  27.373   6.117  -4.558
  454   3HZ   LYS  59          HZ3       LYS  59  26.730   6.641  -5.972
  455    H    VAL  60           H        VAL  60  20.292   2.917  -5.592
  456    HA   VAL  60           HA       VAL  60  19.512   4.741  -3.482
  457    HB   VAL  60           HB       VAL  60  18.304   4.206  -6.202
  458   1HG1  VAL  60          HG11      VAL  60  17.119   6.342  -5.850
  459   2HG1  VAL  60          HG12      VAL  60  16.646   5.187  -4.610
  460   3HG1  VAL  60          HG13      VAL  60  17.796   6.468  -4.203
  461   1HG2  VAL  60          HG21      VAL  60  20.212   6.342  -5.086
  462   2HG2  VAL  60          HG22      VAL  60  20.638   5.083  -6.263
  463   3HG2  VAL  60          HG23      VAL  60  19.543   6.356  -6.718
  464    H    SER  61           H        SER  61  18.255   1.561  -4.617
  465    HA   SER  61           HA       SER  61  15.953   1.577  -2.929
  466   1HB   SER  61          HB2       SER  61  16.455  -0.069  -4.747
  467   2HB   SER  61          HB3       SER  61  17.705  -0.789  -3.713
  468    HG   SER  61           HG       SER  61  15.641  -1.837  -3.614
  469    H    GLY  62           H        GLY  62  19.444   0.806  -2.317
  470   1HA   GLY  62          HA2       GLY  62  19.228   0.010   0.378
  471   2HA   GLY  62          HA3       GLY  62  20.618   0.820  -0.372
  472    H    ASP  63           H        ASP  63  19.676   3.349  -0.996
  473    HA   ASP  63           HA       ASP  63  19.662   4.659   1.516
  474   1HB   ASP  63          HB2       ASP  63  20.446   5.694  -0.579
  475   2HB   ASP  63          HB3       ASP  63  18.783   5.790  -1.161
  476    H    MET  64           H        MET  64  16.943   4.058  -0.793
  477    HA   MET  64           HA       MET  64  14.921   5.285   0.769
  478   1HB   MET  64          HB2       MET  64  14.744   2.872  -1.074
  479   2HB   MET  64          HB3       MET  64  13.375   3.800  -0.479
  480   1HG   MET  64          HG2       MET  64  15.487   4.944  -2.313
  481   2HG   MET  64          HG3       MET  64  13.894   4.374  -2.772
  482   1HE   MET  64          HE1       MET  64  15.823   6.905  -0.464
  483   2HE   MET  64          HE2       MET  64  15.927   7.396  -2.174
  484   3HE   MET  64          HE3       MET  64  15.049   8.404  -1.000
  485    H    GLN  65           H        GLN  65  16.113   1.863   0.848
  486    HA   GLN  65           HA       GLN  65  14.298   1.025   2.867
  487   1HB   GLN  65          HB2       GLN  65  16.975   0.040   1.829
  488   2HB   GLN  65          HB3       GLN  65  16.156  -0.781   3.162
  489   1HG   GLN  65          HG2       GLN  65  14.227  -1.276   1.768
  490   2HG   GLN  65          HG3       GLN  65  14.871  -0.323   0.434
  491   1HE2  GLN  65          HE22      GLN  65  15.947  -1.543  -1.156
  492   2HE2  GLN  65          HE21      GLN  65  16.684  -3.096  -0.853
  493    H    LYS  66           H        LYS  66  17.529   2.604   3.081
  494    HA   LYS  66           HA       LYS  66  17.787   2.382   5.922
  495   1HB   LYS  66          HB2       LYS  66  19.658   2.916   4.518
  496   2HB   LYS  66          HB3       LYS  66  18.834   4.303   3.842
  497   1HG   LYS  66          HG2       LYS  66  18.928   5.407   6.133
  498   2HG   LYS  66          HG3       LYS  66  19.913   4.031   6.664
  499   1HD   LYS  66          HD2       LYS  66  21.414   5.813   6.034
  500   2HD   LYS  66          HD3       LYS  66  21.512   4.561   4.776
  501   1HE   LYS  66          HE2       LYS  66  19.890   5.889   3.384
  502   2HE   LYS  66          HE3       LYS  66  19.858   7.136   4.627
  503   1HZ   LYS  66          HZ1       LYS  66  22.336   6.329   3.226
  504   2HZ   LYS  66          HZ2       LYS  66  21.321   7.483   2.675
  505   3HZ   LYS  66          HZ3       LYS  66  22.094   7.682   4.124
  506    H    GLN  67           H        GLN  67  16.094   4.846   3.834
  507    HA   GLN  67           HA       GLN  67  15.151   6.433   6.042
  508   1HB   GLN  67          HB2       GLN  67  13.588   5.870   3.506
  509   2HB   GLN  67          HB3       GLN  67  13.379   7.200   4.625
  510   1HG   GLN  67          HG2       GLN  67  15.650   8.065   3.996
  511   2HG   GLN  67          HG3       GLN  67  15.769   6.795   2.777
  512   1HE2  GLN  67          HE22      GLN  67  13.192   6.708   1.667
  513   2HE2  GLN  67          HE21      GLN  67  12.907   8.229   0.862
  514    H    GLY  68           H        GLY  68  13.928   3.499   4.492
  515   1HA   GLY  68          HA2       GLY  68  13.186   1.863   6.340
  516   2HA   GLY  68          HA3       GLY  68  11.904   3.039   6.637
  517    H    CYS  69           H        CYS  69  12.483   3.179   3.347
  518    HA   CYS  69           HA       CYS  69   9.853   2.271   2.758
  519   1HB   CYS  69          HB2       CYS  69  12.163   2.889   0.907
  520   2HB   CYS  69          HB3       CYS  69  10.458   2.948   0.484
  521    HG   CYS  69           HG       CYS  69  11.173   5.373   0.580
  522    H    ASP  70           H        ASP  70   9.608   1.010   0.599
  523    HA   ASP  70           HA       ASP  70  11.397  -1.314   0.280
  524   1HB   ASP  70          HB2       ASP  70   9.433  -2.192   1.483
  525   2HB   ASP  70          HB3       ASP  70   8.351  -1.405   0.326
  526    H    CYS  71           H        CYS  71  11.509  -1.843  -2.063
  527    HA   CYS  71           HA       CYS  71  10.356   0.216  -3.851
  528   1HB   CYS  71          HB2       CYS  71  13.355  -0.236  -3.427
  529   2HB   CYS  71          HB3       CYS  71  12.620   0.826  -4.627
  530    HG   CYS  71           HG       CYS  71  11.138   1.690  -2.206
  531    H    GLU  72           H        GLU  72  10.946  -0.107  -6.169
  532    HA   GLU  72           HA       GLU  72  12.144  -2.669  -6.958
  533   1HB   GLU  72          HB2       GLU  72   9.797  -3.256  -6.523
  534   2HB   GLU  72          HB3       GLU  72   9.247  -1.889  -7.514
  535   1HG   GLU  72          HG2       GLU  72  10.126  -2.870  -9.512
  536   2HG   GLU  72          HG3       GLU  72  11.003  -4.108  -8.606
  537    H    CYS  73           H        CYS  73  13.335  -2.246  -8.825
  538    HA   CYS  73           HA       CYS  73  13.054   0.242 -10.316
  539   1HB   CYS  73          HB2       CYS  73  14.666  -1.036 -11.888
  540   2HB   CYS  73          HB3       CYS  73  15.271  -0.564 -10.305
  541    HG   CYS  73           HG       CYS  73  13.914  -3.449 -11.177
  542    H    LEU  74           H        LEU  74  11.436   0.569 -11.715
  543    HA   LEU  74           HA       LEU  74   9.704  -1.610 -12.590
  544   1HB   LEU  74          HB2       LEU  74   9.806   1.328 -13.406
  545   2HB   LEU  74          HB3       LEU  74   8.540   0.180 -13.825
  546    HG   LEU  74           HG       LEU  74   9.191   1.261 -11.055
  547   1HD1  LEU  74          HD11      LEU  74   7.900   2.732 -12.573
  548   2HD1  LEU  74          HD12      LEU  74   6.695   1.448 -12.798
  549   3HD1  LEU  74          HD13      LEU  74   6.924   2.180 -11.198
  550   1HD2  LEU  74          HD21      LEU  74   7.194  -0.045 -10.267
  551   2HD2  LEU  74          HD22      LEU  74   7.188  -0.912 -11.817
  552   3HD2  LEU  74          HD23      LEU  74   8.566  -1.061 -10.699
  553    H    GLY  75           H        GLY  75  12.508   0.105 -13.878
  554   1HA   GLY  75          HA2       GLY  75  13.179  -1.829 -15.747
  555   2HA   GLY  75          HA3       GLY  75  12.252  -0.616 -16.629
  556    H    GLY  76           H        GLY  76  14.677  -0.649 -17.546
  557   1HA   GLY  76          HA2       GLY  76  16.078   1.682 -16.313
  558   2HA   GLY  76          HA3       GLY  76  16.989   0.232 -16.739
  559    H    GLY  77           H        GLY  77  17.848   2.437 -17.913
  560   1HA   GLY  77          HA2       GLY  77  17.602   2.141 -20.702
  561   2HA   GLY  77          HA3       GLY  77  16.502   3.431 -20.180
  562    H    ARG  78           H        ARG  78  17.882   4.939 -21.359
  563    HA   ARG  78           HA       ARG  78  20.297   5.771 -19.893
  564   1HB   ARG  78          HB2       ARG  78  20.828   4.265 -21.883
  565   2HB   ARG  78          HB3       ARG  78  20.145   5.524 -22.924
  566   1HG   ARG  78          HG2       ARG  78  21.896   7.112 -21.988
  567   2HG   ARG  78          HG3       ARG  78  22.579   5.746 -21.095
  568   1HD   ARG  78          HD2       ARG  78  22.359   6.011 -24.119
  569   2HD   ARG  78          HD3       ARG  78  23.808   6.246 -23.150
  570    HE   ARG  78           HE       ARG  78  23.968   3.952 -22.685
  571   1HH1  ARG  78          HH21      ARG  78  21.408   4.629 -25.076
  572   2HH1  ARG  78          HH22      ARG  78  21.207   2.948 -25.497
  573   1HH2  ARG  78          HH11      ARG  78  23.682   1.733 -23.341
  574   2HH2  ARG  78          HH12      ARG  78  22.415   1.320 -24.459
  575    H    ILE  79           H        ILE  79  20.870   7.912 -20.197
  576    HA   ILE  79           HA       ILE  79  18.744   9.775 -21.111
  577    HB   ILE  79           HB       ILE  79  20.502   9.603 -18.640
  578   1HG1  ILE  79          HG12      ILE  79  17.607  10.449 -19.178
  579   2HG1  ILE  79          HG13      ILE  79  18.122   8.856 -18.640
  580   1HG2  ILE  79          HG21      ILE  79  20.129  12.025 -18.159
  581   2HG2  ILE  79          HG22      ILE  79  21.108  11.816 -19.596
  582   3HG2  ILE  79          HG23      ILE  79  19.385  12.228 -19.756
  583   1HD1  ILE  79          HD11      ILE  79  18.261  11.447 -17.055
  584   2HD1  ILE  79          HD12      ILE  79  17.238  10.041 -16.754
  585   3HD1  ILE  79          HD13      ILE  79  18.994   9.912 -16.523
  586    H    SER  80           H        SER  80  19.448  11.027 -22.765
  587    HA   SER  80           HA       SER  80  22.304  11.552 -23.191
  588   1HB   SER  80          HB2       SER  80  20.632  10.073 -25.279
  589   2HB   SER  80          HB3       SER  80  22.342  10.522 -25.404
  590    HG   SER  80           HG       SER  80  22.200   9.151 -23.215
  591    H    HIS  81           H        HIS  81  22.549  13.111 -25.083
  592    HA   HIS  81           HA       HIS  81  20.338  15.029 -25.179
  593   1HB   HIS  81          HB2       HIS  81  22.926  14.861 -26.781
  594   2HB   HIS  81          HB3       HIS  81  21.791  16.208 -26.793
  595    HD1  HIS  81           HD1      HIS  81  21.528  17.528 -24.308
  596    HD2  HIS  81           HD2      HIS  81  24.814  14.966 -24.945
  597    HE1  HIS  81           HE1      HIS  81  23.228  18.061 -22.483
  598    H    GLN  82           H        GLN  82  18.857  15.252 -26.856
  599    HA   GLN  82           HA       GLN  82  18.553  13.129 -28.815
  600   1HB   GLN  82          HB2       GLN  82  16.771  14.751 -27.656
  601   2HB   GLN  82          HB3       GLN  82  17.182  15.823 -28.991
  602   1HG   GLN  82          HG2       GLN  82  16.575  13.950 -30.590
  603   2HG   GLN  82          HG3       GLN  82  16.185  12.944 -29.197
  604   1HE2  GLN  82          HE22      GLN  82  13.978  12.681 -29.854
  605   2HE2  GLN  82          HE21      GLN  82  12.831  13.989 -29.706
  606    H    SER  83           H        SER  83  20.508  15.917 -28.603
  607    HA   SER  83           HA       SER  83  21.901  17.018 -29.916
  608   1HB   SER  83          HB2       SER  83  21.668  14.641 -31.785
  609   2HB   SER  83          HB3       SER  83  23.008  15.797 -31.687
  610    HG   SER  83           HG       SER  83  23.420  13.871 -30.509
  611    H    GLN  84           H        GLN  84  18.753  16.931 -30.814
  612    HA   GLN  84           HA       GLN  84  18.986  18.229 -33.421
  613   1HB   GLN  84          HB2       GLN  84  16.605  18.266 -31.518
  614   2HB   GLN  84          HB3       GLN  84  16.612  18.593 -33.250
  615   1HG   GLN  84          HG2       GLN  84  17.012  15.924 -31.854
  616   2HG   GLN  84          HG3       GLN  84  15.680  16.401 -32.886
  617   1HE2  GLN  84          HE22      GLN  84  18.655  14.736 -32.814
  618   2HE2  GLN  84          HE21      GLN  84  18.918  14.630 -34.544
  619    H    ASP  85           H        ASP  85  18.454  19.234 -30.020
  620    HA   ASP  85           HA       ASP  85  19.648  21.861 -30.496
  621   1HB   ASP  85          HB2       ASP  85  17.279  22.172 -31.211
  622   2HB   ASP  85          HB3       ASP  85  16.733  21.598 -29.637
  623    H    LYS  86           H        LYS  86  20.667  19.820 -29.047
  624    HA   LYS  86           HA       LYS  86  21.542  19.152 -27.106
  625   1HB   LYS  86          HB2       LYS  86  22.109  21.567 -27.092
  626   2HB   LYS  86          HB3       LYS  86  20.729  21.890 -26.067
  627   1HG   LYS  86          HG2       LYS  86  22.421  19.796 -24.877
  628   2HG   LYS  86          HG3       LYS  86  23.386  21.175 -25.343
  629   1HD   LYS  86          HD2       LYS  86  22.674  21.419 -23.042
  630   2HD   LYS  86          HD3       LYS  86  21.970  22.695 -24.043
  631   1HE   LYS  86          HE2       LYS  86  19.819  21.404 -24.127
  632   2HE   LYS  86          HE3       LYS  86  20.535  20.170 -23.085
  633   1HZ   LYS  86          HZ1       LYS  86  20.101  23.006 -22.337
  634   2HZ   LYS  86          HZ2       LYS  86  19.198  21.740 -21.836
  635   3HZ   LYS  86          HZ3       LYS  86  20.760  21.868 -21.361
  636    H    LYS  87           H        LYS  87  18.190  19.921 -26.972
  637    HA   LYS  87           HA       LYS  87  17.276  19.367 -24.505
  638   1HB   LYS  87          HB2       LYS  87  16.032  19.830 -26.692
  639   2HB   LYS  87          HB3       LYS  87  16.093  18.089 -27.012
  640   1HG   LYS  87          HG2       LYS  87  14.880  17.710 -24.841
  641   2HG   LYS  87          HG3       LYS  87  14.784  19.466 -24.632
  642   1HD   LYS  87          HD2       LYS  87  13.539  17.881 -26.921
  643   2HD   LYS  87          HD3       LYS  87  12.684  18.490 -25.498
  644   1HE   LYS  87          HE2       LYS  87  13.367  20.835 -26.147
  645   2HE   LYS  87          HE3       LYS  87  14.073  20.176 -27.627
  646   1HZ   LYS  87          HZ1       LYS  87  11.893  20.969 -28.089
  647   2HZ   LYS  87          HZ2       LYS  87  11.815  19.345 -28.186
  648   3HZ   LYS  87          HZ3       LYS  87  11.199  20.137 -26.873
  649    H    ILE  88           H        ILE  88  17.482  17.750 -23.010
  650    HA   ILE  88           HA       ILE  88  18.731  15.234 -23.660
  651    HB   ILE  88           HB       ILE  88  17.401  16.415 -21.222
  652   1HG1  ILE  88          HG12      ILE  88  19.682  17.159 -21.814
  653   2HG1  ILE  88          HG13      ILE  88  19.556  16.396 -20.239
  654   1HG2  ILE  88          HG21      ILE  88  18.109  14.438 -19.884
  655   2HG2  ILE  88          HG22      ILE  88  16.773  14.102 -20.983
  656   3HG2  ILE  88          HG23      ILE  88  18.407  13.555 -21.402
  657   1HD1  ILE  88          HD11      ILE  88  20.694  15.073 -22.739
  658   2HD1  ILE  88          HD12      ILE  88  21.613  15.721 -21.380
  659   3HD1  ILE  88          HD13      ILE  88  20.578  14.315 -21.132
  660    H    HIS  89           H        HIS  89  17.836  13.152 -23.570
  661    HA   HIS  89           HA       HIS  89  14.953  12.830 -24.102
  662   1HB   HIS  89          HB2       HIS  89  16.231  13.119 -26.233
  663   2HB   HIS  89          HB3       HIS  89  17.270  11.770 -25.783
  664    HD1  HIS  89           HD1      HIS  89  13.710  12.532 -26.990
  665    HD2  HIS  89           HD2      HIS  89  16.307   9.306 -26.216
  666    HE1  HIS  89           HE1      HIS  89  12.630  10.447 -28.037
  667    H    VAL  90           H        VAL  90  14.254  10.679 -23.530
  668    HA   VAL  90           HA       VAL  90  16.187   9.078 -21.916
  669    HB   VAL  90           HB       VAL  90  13.299   9.565 -21.129
  670   1HG1  VAL  90          HG11      VAL  90  14.663   7.650 -20.163
  671   2HG1  VAL  90          HG12      VAL  90  15.757   8.838 -19.464
  672   3HG1  VAL  90          HG13      VAL  90  14.057   8.790 -18.949
  673   1HG2  VAL  90          HG21      VAL  90  14.188  11.813 -21.087
  674   2HG2  VAL  90          HG22      VAL  90  14.113  11.217 -19.430
  675   3HG2  VAL  90          HG23      VAL  90  15.676  11.269 -20.277
  676    H    TYR  91           H        TYR  91  16.221   6.958 -22.588
  677    HA   TYR  91           HA       TYR  91  13.925   5.684 -23.874
  678   1HB   TYR  91          HB2       TYR  91  14.837   5.530 -26.034
  679   2HB   TYR  91          HB3       TYR  91  14.968   7.218 -25.634
  680    HD1  TYR  91           HD1      TYR  91  16.603   4.647 -27.228
  681    HD2  TYR  91           HD2      TYR  91  17.447   7.749 -24.341
  682    HE1  TYR  91           HE1      TYR  91  19.012   4.497 -27.769
  683    HE2  TYR  91           HE2      TYR  91  19.846   7.585 -24.860
  684    HH   TYR  91           HH       TYR  91  21.144   5.377 -27.371
  685    H    GLY  92           H        GLY  92  14.945   3.417 -24.844
  686   1HA   GLY  92          HA2       GLY  92  17.034   2.117 -24.734
  687   2HA   GLY  92          HA3       GLY  92  17.231   2.604 -23.068
  688    H    TYR  93           H        TYR  93  17.461   0.385 -22.625
  689    HA   TYR  93           HA       TYR  93  15.042  -1.100 -21.990
  690   1HB   TYR  93          HB2       TYR  93  15.435  -1.766 -24.310
  691   2HB   TYR  93          HB3       TYR  93  17.153  -1.987 -24.009
  692    HD1  TYR  93           HD1      TYR  93  18.004  -4.111 -23.380
  693    HD2  TYR  93           HD2      TYR  93  13.773  -3.320 -23.133
  694    HE1  TYR  93           HE1      TYR  93  17.591  -6.503 -22.900
  695    HE2  TYR  93           HE2      TYR  93  13.348  -5.711 -22.617
  696    HH   TYR  93           HH       TYR  93  14.300  -7.819 -22.301
  697    H    SER  94           H        SER  94  15.752  -3.026 -20.632
  698    HA   SER  94           HA       SER  94  18.542  -2.988 -19.667
  699   1HB   SER  94          HB2       SER  94  17.257  -1.707 -17.989
  700   2HB   SER  94          HB3       SER  94  16.088  -3.034 -17.861
  701    HG   SER  94           HG       SER  94  17.756  -3.092 -16.234
  702    H    MET  95           H        MET  95  19.272  -5.064 -19.901
  703    HA   MET  95           HA       MET  95  17.547  -7.260 -20.583
  704   1HB   MET  95          HB2       MET  95  20.004  -7.056 -21.135
  705   2HB   MET  95          HB3       MET  95  20.372  -7.302 -19.426
  706   1HG   MET  95          HG2       MET  95  20.659  -9.375 -20.656
  707   2HG   MET  95          HG3       MET  95  19.347  -9.535 -19.503
  708   1HE   MET  95          HE1       MET  95  18.910  -9.390 -24.126
  709   2HE   MET  95          HE2       MET  95  19.498  -7.983 -23.219
  710   3HE   MET  95          HE3       MET  95  20.449  -9.486 -23.240
  711    H    ALA  96           H        ALA  96  18.639  -5.844 -17.518
  712    HA   ALA  96           HA       ALA  96  17.983  -8.190 -15.931
  713   1HB   ALA  96          HB1       ALA  96  19.814  -6.650 -15.308
  714   2HB   ALA  96          HB2       ALA  96  18.642  -5.323 -15.115
  715   3HB   ALA  96          HB3       ALA  96  18.575  -6.732 -14.041
  716    H    TYR  97           H        TYR  97  16.372  -5.069 -16.706
  717    HA   TYR  97           HA       TYR  97  14.057  -5.925 -15.005
  718   1HB   TYR  97          HB2       TYR  97  15.095  -3.107 -15.361
  719   2HB   TYR  97          HB3       TYR  97  13.874  -3.658 -14.220
  720    HD1  TYR  97           HD1      TYR  97  16.863  -2.241 -14.090
  721    HD2  TYR  97           HD2      TYR  97  15.086  -5.995 -12.908
  722    HE1  TYR  97           HE1      TYR  97  18.577  -2.503 -12.334
  723    HE2  TYR  97           HE2      TYR  97  16.819  -6.283 -11.179
  724    HH   TYR  97           HH       TYR  97  18.685  -5.368 -10.151
  725    H    GLY  98           H        GLY  98  14.771  -5.271 -18.236
  726   1HA   GLY  98          HA2       GLY  98  13.349  -4.939 -20.009
  727   2HA   GLY  98          HA3       GLY  98  11.980  -4.729 -18.912
  728    HA   PRO  99           HA       PRO  99  13.499  -0.570 -20.542
  729   1HB   PRO  99          HB2       PRO  99  11.346   0.192 -22.031
  730   2HB   PRO  99          HB3       PRO  99  12.621  -0.881 -22.681
  731   1HG   PRO  99          HG2       PRO  99   9.913  -1.661 -21.584
  732   2HG   PRO  99          HG3       PRO  99  10.732  -2.259 -23.058
  733   1HD   PRO  99          HD2       PRO  99  10.752  -3.577 -20.617
  734   2HD   PRO  99          HD3       PRO  99  12.055  -3.739 -21.821
  735    H    ALA 100           H        ALA 100  13.089   1.239 -19.324
  736    HA   ALA 100           HA       ALA 100  11.053   1.194 -17.239
  737   1HB   ALA 100          HB1       ALA 100  13.217   2.400 -16.962
  738   2HB   ALA 100          HB2       ALA 100  12.793   3.417 -18.355
  739   3HB   ALA 100          HB3       ALA 100  11.837   3.513 -16.859
  740    H    GLN 101           H        GLN 101   9.391   2.857 -17.043
  741    HA   GLN 101           HA       GLN 101   8.044   3.564 -19.578
  742   1HB   GLN 101          HB2       GLN 101   7.294   4.093 -16.668
  743   2HB   GLN 101          HB3       GLN 101   6.333   4.554 -18.080
  744   1HG   GLN 101          HG2       GLN 101   6.992   1.748 -17.150
  745   2HG   GLN 101          HG3       GLN 101   5.432   2.597 -17.046
  746   1HE2  GLN 101          HE22      GLN 101   4.434   3.289 -19.225
  747   2HE2  GLN 101          HE21      GLN 101   4.652   2.205 -20.574
  748    H    HIS 102           H        HIS 102   9.996   4.798 -20.237
  749    HA   HIS 102           HA       HIS 102  11.056   6.978 -18.892
  750   1HB   HIS 102          HB2       HIS 102  10.578   6.795 -21.870
  751   2HB   HIS 102          HB3       HIS 102  11.817   7.755 -21.070
  752    HD1  HIS 102           HD1      HIS 102  11.527   4.521 -22.811
  753    HD2  HIS 102           HD2      HIS 102  13.454   5.992 -19.383
  754    HE1  HIS 102           HE1      HIS 102  13.194   2.726 -22.054
  755    H    ALA 103           H        ALA 103   7.888   6.815 -20.394
  756    HA   ALA 103           HA       ALA 103   7.139   9.491 -20.652
  757   1HB   ALA 103          HB1       ALA 103   4.859   8.624 -20.153
  758   2HB   ALA 103          HB2       ALA 103   5.729   7.587 -21.286
  759   3HB   ALA 103          HB3       ALA 103   5.566   7.088 -19.584
  760    H    ILE 104           H        ILE 104   7.350   7.491 -17.668
  761    HA   ILE 104           HA       ILE 104   6.074   9.353 -15.883
  762    HB   ILE 104           HB       ILE 104   8.203   7.234 -15.336
  763   1HG1  ILE 104          HG12      ILE 104   6.193   6.253 -16.452
  764   2HG1  ILE 104          HG13      ILE 104   6.553   5.618 -14.860
  765   1HG2  ILE 104          HG21      ILE 104   7.206   7.176 -13.029
  766   2HG2  ILE 104          HG22      ILE 104   8.063   8.667 -13.432
  767   3HG2  ILE 104          HG23      ILE 104   6.288   8.642 -13.444
  768   1HD1  ILE 104          HD11      ILE 104   4.725   6.851 -13.867
  769   2HD1  ILE 104          HD12      ILE 104   4.387   7.669 -15.421
  770   3HD1  ILE 104          HD13      ILE 104   4.156   5.910 -15.256
  771    H    SER 105           H        SER 105   9.460   8.643 -16.813
  772    HA   SER 105           HA       SER 105  10.715  10.531 -15.172
  773   1HB   SER 105          HB2       SER 105  11.623   9.463 -17.882
  774   2HB   SER 105          HB3       SER 105  12.633  10.093 -16.589
  775    HG   SER 105           HG       SER 105  11.637   8.368 -15.257
  776    H    THR 106           H        THR 106   9.743  10.851 -18.667
  777    HA   THR 106           HA       THR 106  10.688  13.489 -18.879
  778    HB   THR 106           HB       THR 106   8.961  13.684 -20.772
  779    HG1  THR 106           HG1      THR 106   7.526  12.035 -20.051
  780   1HG2  THR 106          HG21      THR 106  11.322  13.042 -21.130
  781   2HG2  THR 106          HG22      THR 106  10.923  11.350 -20.778
  782   3HG2  THR 106          HG23      THR 106  10.220  12.163 -22.197
  783    H    GLU 107           H        GLU 107   7.443  12.413 -17.665
  784    HA   GLU 107           HA       GLU 107   6.426  15.073 -17.481
  785   1HB   GLU 107          HB2       GLU 107   5.738  12.493 -16.016
  786   2HB   GLU 107          HB3       GLU 107   4.916  14.026 -15.695
  787   1HG   GLU 107          HG2       GLU 107   4.298  14.204 -18.099
  788   2HG   GLU 107          HG3       GLU 107   5.035  12.635 -18.404
  789    H    LYS 108           H        LYS 108   8.176  13.020 -15.086
  790    HA   LYS 108           HA       LYS 108   8.075  14.961 -12.979
  791   1HB   LYS 108          HB2       LYS 108   9.951  12.620 -13.551
  792   2HB   LYS 108          HB3       LYS 108  10.030  13.599 -12.077
  793   1HG   LYS 108          HG2       LYS 108   7.801  13.013 -11.424
  794   2HG   LYS 108          HG3       LYS 108   7.511  12.136 -12.932
  795   1HD   LYS 108          HD2       LYS 108   9.167  10.468 -12.398
  796   2HD   LYS 108          HD3       LYS 108   9.727  11.361 -10.973
  797   1HE   LYS 108          HE2       LYS 108   6.830  10.488 -11.268
  798   2HE   LYS 108          HE3       LYS 108   8.052   9.379 -10.626
  799   1HZ   LYS 108          HZ1       LYS 108   6.737  10.969  -9.028
  800   2HZ   LYS 108          HZ2       LYS 108   8.311  10.588  -8.753
  801   3HZ   LYS 108          HZ3       LYS 108   7.966  12.020  -9.391
  802    H    ILE 109           H        ILE 109  10.572  14.307 -15.466
  803    HA   ILE 109           HA       ILE 109  12.433  16.251 -14.501
  804    HB   ILE 109           HB       ILE 109  12.030  14.925 -17.203
  805   1HG1  ILE 109          HG12      ILE 109  14.230  14.424 -15.136
  806   2HG1  ILE 109          HG13      ILE 109  12.733  13.515 -15.138
  807   1HG2  ILE 109          HG21      ILE 109  14.503  16.479 -16.311
  808   2HG2  ILE 109          HG22      ILE 109  14.267  15.668 -17.849
  809   3HG2  ILE 109          HG23      ILE 109  13.306  17.091 -17.478
  810   1HD1  ILE 109          HD11      ILE 109  14.799  13.552 -17.374
  811   2HD1  ILE 109          HD12      ILE 109  14.389  12.215 -16.298
  812   3HD1  ILE 109          HD13      ILE 109  13.205  12.771 -17.496
  813    H    LYS 110           H        LYS 110   9.809  16.473 -17.072
  814    HA   LYS 110           HA       LYS 110  10.354  19.223 -17.595
  815   1HB   LYS 110          HB2       LYS 110   7.820  17.565 -17.921
  816   2HB   LYS 110          HB3       LYS 110   7.897  19.285 -18.312
  817   1HG   LYS 110          HG2       LYS 110   9.823  18.831 -19.864
  818   2HG   LYS 110          HG3       LYS 110   9.631  17.108 -19.560
  819   1HD   LYS 110          HD2       LYS 110   8.564  17.649 -21.648
  820   2HD   LYS 110          HD3       LYS 110   7.309  17.219 -20.483
  821   1HE   LYS 110          HE2       LYS 110   6.709  19.537 -20.133
  822   2HE   LYS 110          HE3       LYS 110   8.127  20.116 -21.015
  823   1HZ   LYS 110          HZ1       LYS 110   6.009  18.545 -22.349
  824   2HZ   LYS 110          HZ2       LYS 110   5.961  20.170 -22.233
  825   3HZ   LYS 110          HZ3       LYS 110   7.183  19.485 -23.050
  826    H    ALA 111           H        ALA 111   8.363  17.733 -14.982
  827    HA   ALA 111           HA       ALA 111   7.290  20.213 -14.072
  828   1HB   ALA 111          HB1       ALA 111   7.882  17.677 -12.488
  829   2HB   ALA 111          HB2       ALA 111   6.823  19.008 -11.986
  830   3HB   ALA 111          HB3       ALA 111   6.392  18.021 -13.394
  831    H    LYS 112           H        LYS 112  10.363  18.515 -13.221
  832    HA   LYS 112           HA       LYS 112  11.036  20.595 -11.253
  833   1HB   LYS 112          HB2       LYS 112  12.098  17.897 -12.007
  834   2HB   LYS 112          HB3       LYS 112  13.302  19.064 -11.486
  835   1HG   LYS 112          HG2       LYS 112  12.611  17.875  -9.542
  836   2HG   LYS 112          HG3       LYS 112  12.059  19.536  -9.427
  837   1HD   LYS 112          HD2       LYS 112  10.302  18.237  -8.581
  838   2HD   LYS 112          HD3       LYS 112   9.744  18.712 -10.188
  839   1HE   LYS 112          HE2       LYS 112  10.449  16.477 -11.067
  840   2HE   LYS 112          HE3       LYS 112  11.072  16.058  -9.470
  841   1HZ   LYS 112          HZ1       LYS 112   8.740  16.358  -8.647
  842   2HZ   LYS 112          HZ2       LYS 112   8.231  16.444 -10.198
  843   3HZ   LYS 112          HZ3       LYS 112   8.958  15.077  -9.625
  844    H    TYR 113           H        TYR 113  11.557  20.209 -14.616
  845    HA   TYR 113           HA       TYR 113  12.825  21.103 -16.148
  846   1HB   TYR 113          HB2       TYR 113  12.828  23.549 -14.361
  847   2HB   TYR 113          HB3       TYR 113  13.322  23.522 -16.044
  848    HD1  TYR 113           HD1      TYR 113  11.701  22.972 -17.867
  849    HD2  TYR 113           HD2      TYR 113  10.468  23.710 -13.796
  850    HE1  TYR 113           HE1      TYR 113   9.408  23.446 -18.660
  851    HE2  TYR 113           HE2      TYR 113   8.164  24.182 -14.576
  852    HH   TYR 113           HH       TYR 113   7.234  24.041 -18.049
  853    HA   PRO 114           HA       PRO 114  17.072  20.509 -14.109
  854   1HB   PRO 114          HB2       PRO 114  16.939  17.880 -15.554
  855   2HB   PRO 114          HB3       PRO 114  17.692  18.261 -13.976
  856   1HG   PRO 114          HG2       PRO 114  15.343  16.898 -14.120
  857   2HG   PRO 114          HG3       PRO 114  15.599  18.151 -12.863
  858   1HD   PRO 114          HD2       PRO 114  14.156  18.453 -15.519
  859   2HD   PRO 114          HD3       PRO 114  13.642  18.922 -13.879
  860    H    ASP 115           H        ASP 115  15.306  20.047 -17.102
  861    HA   ASP 115           HA       ASP 115  17.333  21.487 -18.626
  862   1HB   ASP 115          HB2       ASP 115  17.649  19.013 -19.137
  863   2HB   ASP 115          HB3       ASP 115  15.988  18.982 -19.730
  864    H    TYR 116           H        TYR 116  16.153  22.387 -20.614
  865    HA   TYR 116           HA       TYR 116  13.908  23.846 -19.674
  866   1HB   TYR 116          HB2       TYR 116  15.499  24.654 -21.369
  867   2HB   TYR 116          HB3       TYR 116  14.952  23.427 -22.504
  868    HD1  TYR 116           HD1      TYR 116  13.904  26.494 -20.637
  869    HD2  TYR 116           HD2      TYR 116  12.988  23.774 -23.863
  870    HE1  TYR 116           HE1      TYR 116  12.157  28.052 -21.450
  871    HE2  TYR 116           HE2      TYR 116  11.244  25.322 -24.683
  872    HH   TYR 116           HH       TYR 116  10.150  27.354 -24.354
  873    H    GLU 117           H        GLU 117  14.106  20.961 -21.745
  874    HA   GLU 117           HA       GLU 117  11.465  20.116 -21.048
  875   1HB   GLU 117          HB2       GLU 117  10.875  21.580 -22.948
  876   2HB   GLU 117          HB3       GLU 117  12.102  20.813 -23.967
  877   1HG   GLU 117          HG2       GLU 117  10.859  18.740 -24.016
  878   2HG   GLU 117          HG3       GLU 117   9.788  19.290 -22.723
  879    H    VAL 118           H        VAL 118  11.257  17.788 -22.021
  880    HA   VAL 118           HA       VAL 118  13.695  16.655 -23.106
  881    HB   VAL 118           HB       VAL 118  13.549  14.680 -21.548
  882   1HG1  VAL 118          HG11      VAL 118  15.038  15.570 -19.954
  883   2HG1  VAL 118          HG12      VAL 118  15.249  16.553 -21.412
  884   3HG1  VAL 118          HG13      VAL 118  14.324  17.199 -20.053
  885   1HG2  VAL 118          HG21      VAL 118  12.072  16.537 -19.631
  886   2HG2  VAL 118          HG22      VAL 118  11.260  15.282 -20.578
  887   3HG2  VAL 118          HG23      VAL 118  12.517  14.829 -19.415
  888    H    THR 119           H        THR 119  13.223  14.373 -23.871
  889    HA   THR 119           HA       THR 119  10.366  13.905 -24.525
  890    HB   THR 119           HB       THR 119  11.233  13.258 -26.856
  891    HG1  THR 119           HG1      THR 119  13.343  15.022 -26.152
  892   1HG2  THR 119          HG21      THR 119   9.845  15.238 -26.510
  893   2HG2  THR 119          HG22      THR 119  11.281  16.212 -26.125
  894   3HG2  THR 119          HG23      THR 119  11.076  15.523 -27.752
  895    H    TRP 120           H        TRP 120  10.245  11.564 -25.591
  896    HA   TRP 120           HA       TRP 120  12.315   9.820 -24.506
  897   1HB   TRP 120          HB2       TRP 120  10.842   8.360 -23.346
  898   2HB   TRP 120          HB3       TRP 120  10.648   9.942 -22.654
  899    HD1  TRP 120           HD1      TRP 120   8.352  11.246 -23.914
  900    HE1  TRP 120           HE1      TRP 120   5.979  10.303 -23.955
  901    HE3  TRP 120           HE3      TRP 120   9.454   6.254 -23.568
  902    HZ2  TRP 120           HZ2      TRP 120   4.720   7.703 -24.027
  903    HZ3  TRP 120           HZ3      TRP 120   7.638   4.586 -23.503
  904    HH2  TRP 120           HH2      TRP 120   5.271   5.284 -23.777
  905    H    ALA 121           H        ALA 121  11.852   7.505 -25.064
  906    HA   ALA 121           HA       ALA 121  10.056   7.093 -27.308
  907   1HB   ALA 121          HB1       ALA 121  11.797   5.882 -28.635
  908   2HB   ALA 121          HB2       ALA 121  12.227   7.596 -28.430
  909   3HB   ALA 121          HB3       ALA 121  13.031   6.349 -27.447
  910    H    ASN 122           H        ASN 122   9.324   4.950 -27.353
  911    HA   ASN 122           HA       ASN 122   9.496   3.597 -24.765
  912   1HB   ASN 122          HB2       ASN 122   7.340   4.152 -25.970
  913   2HB   ASN 122          HB3       ASN 122   7.791   2.980 -27.208
  914   1HD2  ASN 122          HD22      ASN 122   6.092   1.470 -26.816
  915   2HD2  ASN 122          HD21      ASN 122   5.929   0.604 -25.312
  916    H    ASP 123           H        ASP 123  11.886   3.422 -26.547
  917    HA   ASP 123           HA       ASP 123  12.279   0.555 -26.656
  918   1HB   ASP 123          HB2       ASP 123  11.042   1.277 -28.869
  919   2HB   ASP 123          HB3       ASP 123  12.577   2.072 -29.257
  920    H    GLY 124           H        GLY 124  14.514   0.301 -27.857
  921   1HA   GLY 124          HA2       GLY 124  16.532   1.711 -28.512
  922   2HA   GLY 124          HA3       GLY 124  16.441   2.370 -26.877
  923    H    TYR 125           H        TYR 125  18.762   1.381 -27.202
  924    HA   TYR 125           HA       TYR 125  18.909  -0.774 -25.345
  925   1HB   TYR 125          HB2       TYR 125  20.423  -2.191 -26.638
  926   2HB   TYR 125          HB3       TYR 125  18.830  -2.168 -27.360
  927    HD1  TYR 125           HD1      TYR 125  18.443  -1.120 -29.565
  928    HD2  TYR 125           HD2      TYR 125  22.365  -1.167 -27.767
  929    HE1  TYR 125           HE1      TYR 125  19.447  -0.517 -31.750
  930    HE2  TYR 125           HE2      TYR 125  23.379  -0.568 -29.942
  931    HH   TYR 125           HH       TYR 125  22.992  -0.085 -32.190
  Start of MODEL   17
    1   1H    MET   1          H1        MET   1   9.946  11.711  17.545
    2   2H    MET   1          H2        MET   1  10.959  12.991  17.713
    3   3H    MET   1          H3        MET   1   9.382  13.230  17.346
    4    HA   MET   1           HA       MET   1  10.714  13.564  15.401
    5   1HB   MET   1          HB2       MET   1  12.580  12.102  16.057
    6   2HB   MET   1          HB3       MET   1  11.571  10.666  15.844
    7   1HG   MET   1          HG2       MET   1  11.328  11.170  13.451
    8   2HG   MET   1          HG3       MET   1  12.277  12.645  13.633
    9   1HE   MET   1          HE1       MET   1  14.845  12.765  13.762
   10   2HE   MET   1          HE2       MET   1  14.813  11.938  15.338
   11   3HE   MET   1          HE3       MET   1  15.910  11.376  14.061
   12    H    ALA   2           H        ALA   2   9.041  13.820  14.017
   13    HA   ALA   2           HA       ALA   2   6.799  12.000  13.833
   14   1HB   ALA   2          HB1       ALA   2   6.609  14.421  13.324
   15   2HB   ALA   2          HB2       ALA   2   7.740  14.224  11.960
   16   3HB   ALA   2          HB3       ALA   2   6.153  13.431  11.925
   17    H    VAL   3           H        VAL   3   6.250  10.703  11.889
   18    HA   VAL   3           HA       VAL   3   8.495   9.278  10.816
   19    HB   VAL   3           HB       VAL   3   6.777   8.114   9.497
   20   1HG1  VAL   3          HG11      VAL   3   7.382   7.371  11.763
   21   2HG1  VAL   3          HG12      VAL   3   6.103   8.392  12.457
   22   3HG1  VAL   3          HG13      VAL   3   5.685   7.031  11.415
   23   1HG2  VAL   3          HG21      VAL   3   5.130   9.903   9.111
   24   2HG2  VAL   3          HG22      VAL   3   4.386   8.488   9.855
   25   3HG2  VAL   3          HG23      VAL   3   4.721   9.920  10.844
   26    H    ALA   4           H        ALA   4   9.126   9.200   8.586
   27    HA   ALA   4           HA       ALA   4   8.961  11.764   7.138
   28   1HB   ALA   4          HB1       ALA   4  10.491  10.470   5.529
   29   2HB   ALA   4          HB2       ALA   4  11.136  10.768   7.150
   30   3HB   ALA   4          HB3       ALA   4  10.520   9.171   6.740
   31    H    ASP   5           H        ASP   5   8.547  11.276   4.584
   32    HA   ASP   5           HA       ASP   5   6.302   9.425   4.157
   33   1HB   ASP   5          HB2       ASP   5   5.207  11.444   5.078
   34   2HB   ASP   5          HB3       ASP   5   6.048  12.455   3.899
   35    H    LEU   6           H        LEU   6   5.875   9.184   1.839
   36    HA   LEU   6           HA       LEU   6   8.212   9.114   0.282
   37   1HB   LEU   6          HB2       LEU   6   5.276   9.027  -0.543
   38   2HB   LEU   6          HB3       LEU   6   6.619   8.679  -1.601
   39    HG   LEU   6           HG       LEU   6   5.711   7.053   0.778
   40   1HD1  LEU   6          HD11      LEU   6   5.365   5.310  -0.915
   41   2HD1  LEU   6          HD12      LEU   6   4.511   6.768  -1.419
   42   3HD1  LEU   6          HD13      LEU   6   6.069   6.315  -2.168
   43   1HD2  LEU   6          HD21      LEU   6   7.533   5.447   0.223
   44   2HD2  LEU   6          HD22      LEU   6   8.210   6.624  -0.911
   45   3HD2  LEU   6          HD23      LEU   6   8.158   6.971   0.838
   46    H    ALA   7           H        ALA   7   5.863  11.778   0.607
   47    HA   ALA   7           HA       ALA   7   6.571  13.123  -1.786
   48   1HB   ALA   7          HB1       ALA   7   5.579  14.266   0.860
   49   2HB   ALA   7          HB2       ALA   7   5.544  15.086  -0.714
   50   3HB   ALA   7          HB3       ALA   7   4.553  13.639  -0.456
   51    H    LEU   8           H        LEU   8   8.349  12.746   1.219
   52    HA   LEU   8           HA       LEU   8   9.893  15.212   0.961
   53   1HB   LEU   8          HB2       LEU   8  10.432  12.741   2.656
   54   2HB   LEU   8          HB3       LEU   8  11.207  14.310   2.821
   55    HG   LEU   8           HG       LEU   8   8.278  13.685   3.380
   56   1HD1  LEU   8          HD11      LEU   8   8.859  14.118   5.703
   57   2HD1  LEU   8          HD12      LEU   8   9.937  12.867   5.055
   58   3HD1  LEU   8          HD13      LEU   8  10.530  14.525   5.251
   59   1HD2  LEU   8          HD21      LEU   8   8.403  15.972   2.521
   60   2HD2  LEU   8          HD22      LEU   8   8.144  16.009   4.266
   61   3HD2  LEU   8          HD23      LEU   8   9.763  16.340   3.607
   62    H    ILE   9           H        ILE   9  10.063  12.061  -0.477
   63    HA   ILE   9           HA       ILE   9  12.877  11.720  -0.585
   64    HB   ILE   9           HB       ILE   9  10.637  10.620  -2.333
   65   1HG1  ILE   9          HG12      ILE   9  12.105   9.436   0.077
   66   2HG1  ILE   9          HG13      ILE   9  10.464  10.082   0.115
   67   1HG2  ILE   9          HG21      ILE   9  12.172   8.858  -3.034
   68   2HG2  ILE   9          HG22      ILE   9  12.862  10.408  -3.467
   69   3HG2  ILE   9          HG23      ILE   9  13.469   9.540  -2.040
   70   1HD1  ILE   9          HD11      ILE   9  10.336   7.702   0.034
   71   2HD1  ILE   9          HD12      ILE   9   9.758   8.343  -1.526
   72   3HD1  ILE   9          HD13      ILE   9  11.377   7.619  -1.387
   73    HA   PRO  10           HA       PRO  10  13.731  14.672  -3.976
   74   1HB   PRO  10          HB2       PRO  10  16.107  13.626  -4.924
   75   2HB   PRO  10          HB3       PRO  10  15.962  14.656  -3.468
   76   1HG   PRO  10          HG2       PRO  10  16.118  11.637  -3.610
   77   2HG   PRO  10          HG3       PRO  10  16.981  12.745  -2.500
   78   1HD   PRO  10          HD2       PRO  10  14.737  11.408  -1.751
   79   2HD   PRO  10          HD3       PRO  10  15.049  13.072  -1.183
   80    H    ASP  11           H        ASP  11  12.297  14.410  -5.578
   81    HA   ASP  11           HA       ASP  11  11.517  11.882  -6.567
   82   1HB   ASP  11          HB2       ASP  11  10.174  14.035  -6.255
   83   2HB   ASP  11          HB3       ASP  11  10.854  14.580  -7.789
   84    H    VAL  12           H        VAL  12  13.673  14.337  -7.952
   85    HA   VAL  12           HA       VAL  12  14.394  12.498 -10.175
   86    HB   VAL  12           HB       VAL  12  13.796  15.481 -10.434
   87   1HG1  VAL  12          HG11      VAL  12  15.716  14.852 -11.863
   88   2HG1  VAL  12          HG12      VAL  12  14.790  13.486 -12.532
   89   3HG1  VAL  12          HG13      VAL  12  14.286  15.162 -12.841
   90   1HG2  VAL  12          HG21      VAL  12  11.730  14.122 -10.446
   91   2HG2  VAL  12          HG22      VAL  12  12.071  14.798 -12.042
   92   3HG2  VAL  12          HG23      VAL  12  12.412  13.084 -11.710
   93    H    ASP  13           H        ASP  13  16.609  12.331 -10.331
   94    HA   ASP  13           HA       ASP  13  18.320  14.564  -9.757
   95   1HB   ASP  13          HB2       ASP  13  18.090  13.594  -7.429
   96   2HB   ASP  13          HB3       ASP  13  18.676  12.063  -8.043
   97    H    ILE  14           H        ILE  14  19.503  14.416 -11.628
   98    HA   ILE  14           HA       ILE  14  20.490  11.816 -12.563
   99    HB   ILE  14           HB       ILE  14  19.617  12.222 -14.845
  100   1HG1  ILE  14          HG12      ILE  14  17.713  14.294 -13.666
  101   2HG1  ILE  14          HG13      ILE  14  19.183  14.719 -14.549
  102   1HG2  ILE  14          HG21      ILE  14  17.311  11.984 -12.887
  103   2HG2  ILE  14          HG22      ILE  14  17.450  11.294 -14.521
  104   3HG2  ILE  14          HG23      ILE  14  18.478  10.693 -13.224
  105   1HD1  ILE  14          HD11      ILE  14  16.828  13.160 -15.671
  106   2HD1  ILE  14          HD12      ILE  14  17.285  14.830 -16.042
  107   3HD1  ILE  14          HD13      ILE  14  18.344  13.497 -16.543
  108    H    ASP  15           H        ASP  15  21.865  12.140 -14.542
  109    HA   ASP  15           HA       ASP  15  23.021  14.841 -14.899
  110   1HB   ASP  15          HB2       ASP  15  24.478  13.329 -13.393
  111   2HB   ASP  15          HB3       ASP  15  24.737  12.333 -14.825
  112    H    SER  16           H        SER  16  24.034  14.923 -17.091
  113    HA   SER  16           HA       SER  16  23.261  12.926 -19.073
  114   1HB   SER  16          HB2       SER  16  21.999  15.694 -19.238
  115   2HB   SER  16          HB3       SER  16  21.741  14.322 -20.332
  116    HG   SER  16           HG       SER  16  21.193  13.432 -17.952
  117    H    ASP  17           H        ASP  17  25.596  14.807 -17.942
  118    HA   ASP  17           HA       ASP  17  26.516  16.449 -20.025
  119   1HB   ASP  17          HB2       ASP  17  27.450  16.427 -17.768
  120   2HB   ASP  17          HB3       ASP  17  28.057  14.786 -18.003
  121    H    GLY  18           H        GLY  18  26.382  12.969 -19.931
  122   1HA   GLY  18          HA2       GLY  18  27.285  12.799 -22.688
  123   2HA   GLY  18          HA3       GLY  18  28.223  11.839 -21.521
  124    H    VAL  19           H        VAL  19  27.090  10.218 -23.165
  125    HA   VAL  19           HA       VAL  19  24.338   9.500 -22.632
  126    HB   VAL  19           HB       VAL  19  26.597   7.836 -23.833
  127   1HG1  VAL  19          HG11      VAL  19  24.775   6.568 -24.905
  128   2HG1  VAL  19          HG12      VAL  19  24.657   6.476 -23.144
  129   3HG1  VAL  19          HG13      VAL  19  23.567   7.552 -24.044
  130   1HG2  VAL  19          HG21      VAL  19  25.638   8.498 -26.042
  131   2HG2  VAL  19          HG22      VAL  19  24.605   9.679 -25.212
  132   3HG2  VAL  19          HG23      VAL  19  26.370   9.851 -25.182
  133    H    PHE  20           H        PHE  20  23.700   8.669 -20.667
  134    HA   PHE  20           HA       PHE  20  25.543   6.865 -19.167
  135   1HB   PHE  20          HB2       PHE  20  23.839   9.018 -17.868
  136   2HB   PHE  20          HB3       PHE  20  24.961   7.925 -17.076
  137    HD1  PHE  20           HD1      PHE  20  24.627  11.133 -17.251
  138    HD2  PHE  20           HD2      PHE  20  27.437   8.249 -18.793
  139    HE1  PHE  20           HE1      PHE  20  26.402  12.866 -17.296
  140    HE2  PHE  20           HE2      PHE  20  29.169  10.006 -18.924
  141    HZ   PHE  20           HZ       PHE  20  28.666  12.318 -18.157
  142    H    LYS  21           H        LYS  21  24.308   5.517 -17.560
  143    HA   LYS  21           HA       LYS  21  21.761   4.695 -18.794
  144   1HB   LYS  21          HB2       LYS  21  23.103   3.578 -16.283
  145   2HB   LYS  21          HB3       LYS  21  21.796   2.851 -17.189
  146   1HG   LYS  21          HG2       LYS  21  24.709   3.042 -17.941
  147   2HG   LYS  21          HG3       LYS  21  23.695   1.608 -17.725
  148   1HD   LYS  21          HD2       LYS  21  22.372   2.412 -19.782
  149   2HD   LYS  21          HD3       LYS  21  23.680   3.567 -20.055
  150   1HE   LYS  21          HE2       LYS  21  23.824   0.528 -20.064
  151   2HE   LYS  21          HE3       LYS  21  24.039   1.622 -21.432
  152   1HZ   LYS  21          HZ1       LYS  21  26.076   2.444 -20.304
  153   2HZ   LYS  21          HZ2       LYS  21  25.899   1.280 -19.144
  154   3HZ   LYS  21          HZ3       LYS  21  26.163   0.869 -20.700
  155    H    TYR  22           H        TYR  22  19.865   4.300 -17.438
  156    HA   TYR  22           HA       TYR  22  19.648   5.870 -14.983
  157   1HB   TYR  22          HB2       TYR  22  18.500   7.543 -15.863
  158   2HB   TYR  22          HB3       TYR  22  18.709   6.894 -17.469
  159    HD1  TYR  22           HD1      TYR  22  17.051   4.963 -18.147
  160    HD2  TYR  22           HD2      TYR  22  16.309   7.806 -15.001
  161    HE1  TYR  22           HE1      TYR  22  14.638   4.462 -18.276
  162    HE2  TYR  22           HE2      TYR  22  13.871   7.366 -15.183
  163    HH   TYR  22           HH       TYR  22  12.203   6.372 -16.443
  164    H    VAL  23           H        VAL  23  17.484   5.352 -13.931
  165    HA   VAL  23           HA       VAL  23  16.206   2.897 -14.791
  166    HB   VAL  23           HB       VAL  23  18.206   2.220 -13.368
  167   1HG1  VAL  23          HG11      VAL  23  16.563   3.317 -11.064
  168   2HG1  VAL  23          HG12      VAL  23  18.072   2.403 -10.951
  169   3HG1  VAL  23          HG13      VAL  23  18.065   4.028 -11.672
  170   1HG2  VAL  23          HG21      VAL  23  17.042   0.484 -12.155
  171   2HG2  VAL  23          HG22      VAL  23  15.497   1.347 -12.309
  172   3HG2  VAL  23          HG23      VAL  23  16.322   0.703 -13.749
  173    H    LEU  24           H        LEU  24  14.138   2.633 -13.688
  174    HA   LEU  24           HA       LEU  24  13.110   5.141 -12.432
  175   1HB   LEU  24          HB2       LEU  24  12.292   4.658 -14.759
  176   2HB   LEU  24          HB3       LEU  24  11.673   3.112 -14.201
  177    HG   LEU  24           HG       LEU  24  10.123   4.378 -12.624
  178   1HD1  LEU  24          HD11      LEU  24  11.401   6.511 -12.468
  179   2HD1  LEU  24          HD12      LEU  24  11.106   6.806 -14.197
  180   3HD1  LEU  24          HD13      LEU  24   9.759   6.771 -13.037
  181   1HD2  LEU  24          HD21      LEU  24   8.585   5.088 -14.404
  182   2HD2  LEU  24          HD22      LEU  24   9.914   5.062 -15.588
  183   3HD2  LEU  24          HD23      LEU  24   9.363   3.554 -14.813
  184    H    ILE  25           H        ILE  25  12.678   4.666 -10.257
  185    HA   ILE  25           HA       ILE  25  11.985   1.850  -9.624
  186    HB   ILE  25           HB       ILE  25  14.019   1.648  -9.017
  187   1HG1  ILE  25          HG12      ILE  25  12.611   1.399  -6.958
  188   2HG1  ILE  25          HG13      ILE  25  14.352   1.463  -6.774
  189   1HG2  ILE  25          HG21      ILE  25  15.668   3.185  -8.095
  190   2HG2  ILE  25          HG22      ILE  25  15.004   3.788  -9.623
  191   3HG2  ILE  25          HG23      ILE  25  14.466   4.499  -8.100
  192   1HD1  ILE  25          HD11      ILE  25  14.335   3.690  -5.913
  193   2HD1  ILE  25          HD12      ILE  25  12.583   3.842  -6.202
  194   3HD1  ILE  25          HD13      ILE  25  13.209   2.693  -5.013
  195    H    ARG  26           H        ARG  26  10.396   1.463  -8.405
  196    HA   ARG  26           HA       ARG  26   8.651   3.632  -7.476
  197   1HB   ARG  26          HB2       ARG  26   7.730   1.679  -8.637
  198   2HB   ARG  26          HB3       ARG  26   8.436   0.583  -7.453
  199   1HG   ARG  26          HG2       ARG  26   6.966   1.290  -5.722
  200   2HG   ARG  26          HG3       ARG  26   6.473   2.748  -6.596
  201   1HD   ARG  26          HD2       ARG  26   5.885  -0.057  -7.619
  202   2HD   ARG  26          HD3       ARG  26   4.782   0.842  -6.554
  203    HE   ARG  26           HE       ARG  26   5.294   2.655  -8.547
  204   1HH1  ARG  26          HH21      ARG  26   3.989  -0.668  -8.660
  205   2HH1  ARG  26          HH22      ARG  26   3.043  -0.353 -10.066
  206   1HH2  ARG  26          HH11      ARG  26   4.132   3.055 -10.239
  207   2HH2  ARG  26          HH12      ARG  26   3.108   1.873 -11.039
  208    H    VAL  27           H        VAL  27   8.190   3.967  -5.302
  209    HA   VAL  27           HA       VAL  27   9.733   2.468  -3.258
  210    HB   VAL  27           HB       VAL  27   9.063   5.445  -3.145
  211   1HG1  VAL  27          HG11      VAL  27  11.006   3.689  -1.584
  212   2HG1  VAL  27          HG12      VAL  27  10.774   5.426  -1.345
  213   3HG1  VAL  27          HG13      VAL  27   9.450   4.316  -0.985
  214   1HG2  VAL  27          HG21      VAL  27  10.675   5.230  -4.997
  215   2HG2  VAL  27          HG22      VAL  27  11.444   5.945  -3.585
  216   3HG2  VAL  27          HG23      VAL  27  11.731   4.236  -3.962
  217    H    HIS  28           H        HIS  28   8.436   1.882  -1.522
  218    HA   HIS  28           HA       HIS  28   5.493   2.439  -1.686
  219   1HB   HIS  28          HB2       HIS  28   7.028   0.194  -0.323
  220   2HB   HIS  28          HB3       HIS  28   5.278   0.341  -0.472
  221    HD1  HIS  28           HD1      HIS  28   4.513   0.446  -3.313
  222    HD2  HIS  28           HD2      HIS  28   8.128  -1.344  -2.109
  223    HE1  HIS  28           HE1      HIS  28   5.184  -1.161  -5.177
  224    H    SER  29           H        SER  29   4.420   3.105   0.176
  225    HA   SER  29           HA       SER  29   5.868   4.838   1.865
  226   1HB   SER  29          HB2       SER  29   3.026   3.857   2.133
  227   2HB   SER  29          HB3       SER  29   3.723   5.232   2.997
  228    HG   SER  29           HG       SER  29   3.370   4.929   0.192
  229    H    ALA  30           H        ALA  30   7.455   3.584   2.887
  230    HA   ALA  30           HA       ALA  30   6.512   2.786   5.554
  231   1HB   ALA  30          HB1       ALA  30   6.863   0.679   4.341
  232   2HB   ALA  30          HB2       ALA  30   8.530   1.149   3.966
  233   3HB   ALA  30          HB3       ALA  30   8.041   0.870   5.646
  234    HA   PRO  31           HA       PRO  31  10.648   5.383   5.513
  235   1HB   PRO  31          HB2       PRO  31   8.793   7.724   5.744
  236   2HB   PRO  31          HB3       PRO  31  10.479   7.663   5.120
  237   1HG   PRO  31          HG2       PRO  31   8.318   7.803   3.458
  238   2HG   PRO  31          HG3       PRO  31   9.784   6.885   3.045
  239   1HD   PRO  31          HD2       PRO  31   7.126   5.879   4.013
  240   2HD   PRO  31          HD3       PRO  31   8.318   5.114   2.919
  241    H    ARG  32           H        ARG  32  11.394   5.859   7.517
  242    HA   ARG  32           HA       ARG  32  11.617   5.310   9.664
  243   1HB   ARG  32          HB2       ARG  32   9.486   7.457   9.882
  244   2HB   ARG  32          HB3       ARG  32  10.447   6.868  11.248
  245   1HG   ARG  32          HG2       ARG  32  12.542   7.469  10.042
  246   2HG   ARG  32          HG3       ARG  32  11.579   8.171   8.736
  247   1HD   ARG  32          HD2       ARG  32  10.620   9.808  10.341
  248   2HD   ARG  32          HD3       ARG  32  11.609   9.114  11.637
  249    HE   ARG  32           HE       ARG  32  13.518   9.665   9.869
  250   1HH1  ARG  32          HH22      ARG  32  10.849  11.780  10.971
  251   2HH1  ARG  32          HH21      ARG  32  11.686  13.232  10.553
  252   1HH2  ARG  32          HH11      ARG  32  14.612  11.608   9.394
  253   2HH2  ARG  32          HH12      ARG  32  13.876  13.132   9.697
  254    H    SER  33           H        SER  33   9.883   3.487   8.276
  255    HA   SER  33           HA       SER  33   8.594   1.724   8.611
  256   1HB   SER  33          HB2       SER  33   9.646   1.848  11.459
  257   2HB   SER  33          HB3       SER  33   9.104   0.411  10.574
  258    HG   SER  33           HG       SER  33  11.388   0.637  10.572
  259    H    GLY  34           H        GLY  34   7.190   4.334   9.072
  260   1HA   GLY  34          HA2       GLY  34   4.781   3.242  10.353
  261   2HA   GLY  34          HA3       GLY  34   5.622   4.493  11.279
  262    H    ALA  35           H        ALA  35   5.715   4.767   7.768
  263    HA   ALA  35           HA       ALA  35   4.475   7.274   7.666
  264   1HB   ALA  35          HB1       ALA  35   5.887   6.409   5.890
  265   2HB   ALA  35          HB2       ALA  35   4.304   6.853   5.228
  266   3HB   ALA  35          HB3       ALA  35   4.690   5.140   5.505
  267    HA   PRO  36           HA       PRO  36   0.310   6.387   8.451
  268   1HB   PRO  36          HB2       PRO  36  -1.045   8.535   7.415
  269   2HB   PRO  36          HB3       PRO  36   0.151   8.673   8.735
  270   1HG   PRO  36          HG2       PRO  36   0.623   9.085   5.761
  271   2HG   PRO  36          HG3       PRO  36   1.032  10.201   7.107
  272   1HD   PRO  36          HD2       PRO  36   2.875   8.495   6.088
  273   2HD   PRO  36          HD3       PRO  36   2.793   8.809   7.847
  274    H    ALA  37           H        ALA  37   1.249   5.545   5.407
  275    HA   ALA  37           HA       ALA  37  -1.396   4.593   4.587
  276   1HB   ALA  37          HB1       ALA  37   0.213   6.533   2.855
  277   2HB   ALA  37          HB2       ALA  37  -1.338   5.763   2.432
  278   3HB   ALA  37          HB3       ALA  37  -1.269   6.955   3.739
  279    H    ALA  38           H        ALA  38  -0.990   3.586   2.230
  280    HA   ALA  38           HA       ALA  38   1.698   2.362   1.987
  281   1HB   ALA  38          HB1       ALA  38  -0.902   0.838   1.649
  282   2HB   ALA  38          HB2       ALA  38   0.753   0.233   1.383
  283   3HB   ALA  38          HB3       ALA  38   0.229   0.672   3.021
  284    H    GLU  39           H        GLU  39   0.851   4.717   0.805
  285    HA   GLU  39           HA       GLU  39   0.086   4.185  -1.944
  286   1HB   GLU  39          HB2       GLU  39   1.370   6.609  -0.597
  287   2HB   GLU  39          HB3       GLU  39   0.863   6.568  -2.283
  288   1HG   GLU  39          HG2       GLU  39  -0.977   6.271   0.127
  289   2HG   GLU  39          HG3       GLU  39  -0.773   7.716  -0.849
  290    H    SER  40           H        SER  40   1.653   4.808  -3.734
  291    HA   SER  40           HA       SER  40   4.472   4.366  -3.098
  292   1HB   SER  40          HB2       SER  40   3.187   2.864  -5.393
  293   2HB   SER  40          HB3       SER  40   4.818   2.681  -4.752
  294    HG   SER  40           HG       SER  40   2.402   2.010  -3.406
  295    H    LYS  41           H        LYS  41   5.843   5.127  -4.842
  296    HA   LYS  41           HA       LYS  41   4.726   6.502  -7.119
  297   1HB   LYS  41          HB2       LYS  41   5.742   8.744  -6.585
  298   2HB   LYS  41          HB3       LYS  41   4.294   8.321  -5.712
  299   1HG   LYS  41          HG2       LYS  41   5.712   9.456  -4.201
  300   2HG   LYS  41          HG3       LYS  41   5.588   7.797  -3.695
  301   1HD   LYS  41          HD2       LYS  41   7.878   8.593  -3.379
  302   2HD   LYS  41          HD3       LYS  41   7.868   7.338  -4.590
  303   1HE   LYS  41          HE2       LYS  41   9.330   9.118  -5.298
  304   2HE   LYS  41          HE3       LYS  41   7.945   9.088  -6.380
  305   1HZ   LYS  41          HZ1       LYS  41   8.398  11.017  -4.166
  306   2HZ   LYS  41          HZ2       LYS  41   8.471  11.307  -5.792
  307   3HZ   LYS  41          HZ3       LYS  41   7.038  10.977  -5.089
  308    H    GLU  42           H        GLU  42   6.602   7.489  -8.441
  309    HA   GLU  42           HA       GLU  42   8.869   5.563  -8.245
  310   1HB   GLU  42          HB2       GLU  42   7.750   7.103 -10.627
  311   2HB   GLU  42          HB3       GLU  42   9.153   6.044 -10.657
  312   1HG   GLU  42          HG2       GLU  42   7.364   4.823 -11.577
  313   2HG   GLU  42          HG3       GLU  42   7.737   4.122  -9.999
  314    H    ILE  43           H        ILE  43  11.002   6.330  -8.749
  315    HA   ILE  43           HA       ILE  43  11.354   9.269  -8.889
  316    HB   ILE  43           HB       ILE  43  13.344   9.109  -7.476
  317   1HG1  ILE  43          HG12      ILE  43  12.488   6.249  -6.878
  318   2HG1  ILE  43          HG13      ILE  43  13.939   6.749  -7.754
  319   1HG2  ILE  43          HG21      ILE  43  12.206   9.228  -5.413
  320   2HG2  ILE  43          HG22      ILE  43  11.007   9.678  -6.629
  321   3HG2  ILE  43          HG23      ILE  43  10.978   8.042  -5.920
  322   1HD1  ILE  43          HD11      ILE  43  13.347   7.273  -4.810
  323   2HD1  ILE  43          HD12      ILE  43  14.509   6.128  -5.477
  324   3HD1  ILE  43          HD13      ILE  43  14.775   7.868  -5.686
  325    H    VAL  44           H        VAL  44  13.227   9.909  -9.958
  326    HA   VAL  44           HA       VAL  44  14.027   8.014 -12.126
  327    HB   VAL  44           HB       VAL  44  13.645  11.041 -11.987
  328   1HG1  VAL  44          HG11      VAL  44  13.952  11.114 -14.408
  329   2HG1  VAL  44          HG12      VAL  44  15.410  10.504 -13.623
  330   3HG1  VAL  44          HG13      VAL  44  14.316   9.381 -14.446
  331   1HG2  VAL  44          HG21      VAL  44  11.505   9.737 -12.002
  332   2HG2  VAL  44          HG22      VAL  44  11.728  10.742 -13.430
  333   3HG2  VAL  44          HG23      VAL  44  12.009   8.990 -13.533
  334    H    ARG  45           H        ARG  45  16.156   7.427 -12.090
  335    HA   ARG  45           HA       ARG  45  18.205   9.234 -10.868
  336   1HB   ARG  45          HB2       ARG  45  17.940   6.203 -10.531
  337   2HB   ARG  45          HB3       ARG  45  19.299   7.159  -9.982
  338   1HG   ARG  45          HG2       ARG  45  16.457   7.381  -8.895
  339   2HG   ARG  45          HG3       ARG  45  17.753   6.429  -8.219
  340   1HD   ARG  45          HD2       ARG  45  18.043   8.304  -6.913
  341   2HD   ARG  45          HD3       ARG  45  19.063   8.800  -8.262
  342    HE   ARG  45           HE       ARG  45  17.119   9.999  -9.181
  343   1HH1  ARG  45          HH21      ARG  45  17.186   9.566  -5.623
  344   2HH1  ARG  45          HH22      ARG  45  15.713  10.473  -5.414
  345   1HH2  ARG  45          HH11      ARG  45  15.182  11.011  -8.828
  346   2HH2  ARG  45          HH12      ARG  45  14.634  11.359  -7.193
  347    H    GLY  46           H        GLY  46  20.238   9.136 -11.971
  348   1HA   GLY  46          HA2       GLY  46  21.082   7.040 -13.626
  349   2HA   GLY  46          HA3       GLY  46  20.296   8.228 -14.676
  350    H    TYR  47           H        TYR  47  23.274   7.334 -13.809
  351    HA   TYR  47           HA       TYR  47  24.418  10.048 -13.934
  352   1HB   TYR  47          HB2       TYR  47  25.271   8.174 -11.709
  353   2HB   TYR  47          HB3       TYR  47  25.704   9.855 -11.926
  354    HD1  TYR  47           HD1      TYR  47  23.166   7.490 -10.773
  355    HD2  TYR  47           HD2      TYR  47  24.198  11.654 -11.109
  356    HE1  TYR  47           HE1      TYR  47  21.467   8.037  -9.043
  357    HE2  TYR  47           HE2      TYR  47  22.532  12.216  -9.365
  358    HH   TYR  47           HH       TYR  47  21.039  11.372  -7.789
  359    H    LYS  48           H        LYS  48  26.781   9.941 -14.246
  360    HA   LYS  48           HA       LYS  48  27.655   8.054 -16.116
  361   1HB   LYS  48          HB2       LYS  48  28.626  10.309 -15.730
  362   2HB   LYS  48          HB3       LYS  48  29.310   9.761 -14.198
  363   1HG   LYS  48          HG2       LYS  48  30.755   8.158 -15.363
  364   2HG   LYS  48          HG3       LYS  48  29.999   8.560 -16.917
  365   1HD   LYS  48          HD2       LYS  48  30.869  10.871 -16.763
  366   2HD   LYS  48          HD3       LYS  48  31.496  10.541 -15.146
  367   1HE   LYS  48          HE2       LYS  48  33.344  10.450 -16.655
  368   2HE   LYS  48          HE3       LYS  48  33.026   8.815 -16.075
  369   1HZ   LYS  48          HZ1       LYS  48  31.925   8.356 -18.198
  370   2HZ   LYS  48          HZ2       LYS  48  32.207   9.887 -18.719
  371   3HZ   LYS  48          HZ3       LYS  48  33.446   8.871 -18.451
  372    H    TRP  49           H        TRP  49  28.160   8.036 -12.541
  373    HA   TRP  49           HA       TRP  49  30.034   5.911 -12.641
  374   1HB   TRP  49          HB2       TRP  49  29.543   5.727 -10.160
  375   2HB   TRP  49          HB3       TRP  49  30.189   7.228 -10.777
  376    HD1  TRP  49           HD1      TRP  49  29.041   9.367 -10.091
  377    HE1  TRP  49           HE1      TRP  49  26.950  10.012  -8.789
  378    HE3  TRP  49           HE3      TRP  49  26.803   4.759  -9.821
  379    HZ2  TRP  49           HZ2      TRP  49  24.605   8.680  -7.695
  380    HZ3  TRP  49           HZ3      TRP  49  24.596   4.510  -8.763
  381    HH2  TRP  49           HH2      TRP  49  23.468   6.477  -7.714
  382    H    ALA  50           H        ALA  50  26.481   5.769 -12.691
  383    HA   ALA  50           HA       ALA  50  26.552   2.869 -12.180
  384   1HB   ALA  50          HB1       ALA  50  24.146   2.978 -12.617
  385   2HB   ALA  50          HB2       ALA  50  24.671   3.985 -11.264
  386   3HB   ALA  50          HB3       ALA  50  24.262   4.746 -12.835
  387    H    GLU  51           H        GLU  51  28.006   2.335 -13.883
  388    HA   GLU  51           HA       GLU  51  27.431   2.806 -16.646
  389   1HB   GLU  51          HB2       GLU  51  28.971   0.558 -15.272
  390   2HB   GLU  51          HB3       GLU  51  28.946   0.842 -17.019
  391   1HG   GLU  51          HG2       GLU  51  29.869   3.135 -16.630
  392   2HG   GLU  51          HG3       GLU  51  29.990   2.773 -14.906
  393    H    TYR  52           H        TYR  52  25.761   0.870 -14.342
  394    HA   TYR  52           HA       TYR  52  24.137  -0.377 -16.440
  395   1HB   TYR  52          HB2       TYR  52  24.083  -2.440 -14.814
  396   2HB   TYR  52          HB3       TYR  52  25.274  -2.283 -16.091
  397    HD1  TYR  52           HD1      TYR  52  27.580  -1.535 -15.602
  398    HD2  TYR  52           HD2      TYR  52  24.802  -2.571 -12.491
  399    HE1  TYR  52           HE1      TYR  52  29.486  -1.847 -14.018
  400    HE2  TYR  52           HE2      TYR  52  26.671  -2.892 -10.897
  401    HH   TYR  52           HH       TYR  52  28.982  -2.822 -10.590
  402    H    HIS  53           H        HIS  53  22.009  -0.545 -15.843
  403    HA   HIS  53           HA       HIS  53  20.899   1.275 -14.088
  404   1HB   HIS  53          HB2       HIS  53  19.365  -1.229 -14.783
  405   2HB   HIS  53          HB3       HIS  53  18.823   0.444 -14.783
  406    HD1  HIS  53           HD1      HIS  53  19.427   1.850 -17.099
  407    HD2  HIS  53           HD2      HIS  53  20.637  -2.174 -16.896
  408    HE1  HIS  53           HE1      HIS  53  20.324   1.237 -19.414
  409    H    ALA  54           H        ALA  54  21.735  -2.132 -13.448
  410    HA   ALA  54           HA       ALA  54  20.302  -2.416 -11.019
  411   1HB   ALA  54          HB1       ALA  54  21.267  -4.320 -12.261
  412   2HB   ALA  54          HB2       ALA  54  22.909  -3.752 -11.875
  413   3HB   ALA  54          HB3       ALA  54  21.825  -4.293 -10.580
  414    H    ASP  55           H        ASP  55  23.359  -0.709 -11.713
  415    HA   ASP  55           HA       ASP  55  24.334  -0.771  -9.006
  416   1HB   ASP  55          HB2       ASP  55  25.698  -0.186 -11.102
  417   2HB   ASP  55          HB3       ASP  55  24.911   1.371 -11.081
  418    H    ILE  56           H        ILE  56  22.509   1.686 -10.899
  419    HA   ILE  56           HA       ILE  56  22.205   3.483  -8.685
  420    HB   ILE  56           HB       ILE  56  20.047   4.112 -10.242
  421   1HG1  ILE  56          HG12      ILE  56  21.962   2.763 -12.163
  422   2HG1  ILE  56          HG13      ILE  56  20.212   2.606 -11.996
  423   1HG2  ILE  56          HG21      ILE  56  21.350   5.967 -11.004
  424   2HG2  ILE  56          HG22      ILE  56  21.753   5.571  -9.340
  425   3HG2  ILE  56          HG23      ILE  56  22.864   5.104 -10.643
  426   1HD1  ILE  56          HD11      ILE  56  20.022   4.962 -12.855
  427   2HD1  ILE  56          HD12      ILE  56  21.790   4.946 -13.124
  428   3HD1  ILE  56          HD13      ILE  56  20.757   3.811 -14.000
  429    H    TYR  57           H        TYR  57  20.158   0.800  -9.944
  430    HA   TYR  57           HA       TYR  57  17.974   1.352  -8.216
  431   1HB   TYR  57          HB2       TYR  57  17.749  -0.227 -10.053
  432   2HB   TYR  57          HB3       TYR  57  19.007  -1.267  -9.387
  433    HD1  TYR  57           HD1      TYR  57  15.882   0.377  -8.070
  434    HD2  TYR  57           HD2      TYR  57  18.195  -3.242  -8.405
  435    HE1  TYR  57           HE1      TYR  57  14.281  -0.746  -6.590
  436    HE2  TYR  57           HE2      TYR  57  16.560  -4.421  -6.970
  437    HH   TYR  57           HH       TYR  57  13.747  -2.799  -5.463
  438    H    ASP  58           H        ASP  58  20.883  -0.779  -7.675
  439    HA   ASP  58           HA       ASP  58  20.104  -1.557  -5.059
  440   1HB   ASP  58          HB2       ASP  58  21.768  -2.791  -6.336
  441   2HB   ASP  58          HB3       ASP  58  22.852  -1.394  -6.348
  442    H    LYS  59           H        LYS  59  22.311   1.053  -6.173
  443    HA   LYS  59           HA       LYS  59  23.163   2.104  -3.707
  444   1HB   LYS  59          HB2       LYS  59  24.040   2.758  -5.922
  445   2HB   LYS  59          HB3       LYS  59  22.491   3.450  -6.353
  446   1HG   LYS  59          HG2       LYS  59  23.463   5.387  -5.793
  447   2HG   LYS  59          HG3       LYS  59  22.918   4.976  -4.191
  448   1HD   LYS  59          HD2       LYS  59  25.171   5.771  -4.070
  449   2HD   LYS  59          HD3       LYS  59  25.179   4.039  -3.673
  450   1HE   LYS  59          HE2       LYS  59  25.937   3.552  -6.018
  451   2HE   LYS  59          HE3       LYS  59  25.912   5.283  -6.369
  452   1HZ   LYS  59          HZ1       LYS  59  27.641   5.583  -4.695
  453   2HZ   LYS  59          HZ2       LYS  59  27.660   3.981  -4.362
  454   3HZ   LYS  59          HZ3       LYS  59  28.131   4.517  -5.825
  455    H    VAL  60           H        VAL  60  20.321   3.122  -5.678
  456    HA   VAL  60           HA       VAL  60  19.583   5.008  -3.631
  457    HB   VAL  60           HB       VAL  60  18.271   4.278  -6.257
  458   1HG1  VAL  60          HG11      VAL  60  17.044   6.411  -5.959
  459   2HG1  VAL  60          HG12      VAL  60  16.648   5.295  -4.648
  460   3HG1  VAL  60          HG13      VAL  60  17.776   6.621  -4.346
  461   1HG2  VAL  60          HG21      VAL  60  20.118   6.564  -5.347
  462   2HG2  VAL  60          HG22      VAL  60  20.588   5.237  -6.426
  463   3HG2  VAL  60          HG23      VAL  60  19.423   6.405  -6.961
  464    H    SER  61           H        SER  61  18.316   1.733  -4.540
  465    HA   SER  61           HA       SER  61  16.133   1.891  -2.698
  466   1HB   SER  61          HB2       SER  61  17.720  -0.567  -3.525
  467   2HB   SER  61          HB3       SER  61  16.108  -0.531  -2.772
  468    HG   SER  61           HG       SER  61  16.940   0.272  -5.322
  469    H    GLY  62           H        GLY  62  19.636   1.219  -2.214
  470   1HA   GLY  62          HA2       GLY  62  19.533   0.437   0.506
  471   2HA   GLY  62          HA3       GLY  62  20.857   1.313  -0.294
  472    H    ASP  63           H        ASP  63  19.730   3.757  -0.972
  473    HA   ASP  63           HA       ASP  63  19.649   5.121   1.523
  474   1HB   ASP  63          HB2       ASP  63  20.370   6.171  -0.617
  475   2HB   ASP  63          HB3       ASP  63  18.688   6.186  -1.154
  476    H    MET  64           H        MET  64  16.984   4.316  -0.805
  477    HA   MET  64           HA       MET  64  14.897   5.452   0.730
  478   1HB   MET  64          HB2       MET  64  14.794   2.926  -0.973
  479   2HB   MET  64          HB3       MET  64  13.412   3.885  -0.457
  480   1HG   MET  64          HG2       MET  64  15.494   4.778  -2.447
  481   2HG   MET  64          HG3       MET  64  13.849   4.285  -2.758
  482   1HE   MET  64          HE1       MET  64  15.941   6.984  -0.661
  483   2HE   MET  64          HE2       MET  64  16.197   7.065  -2.424
  484   3HE   MET  64          HE3       MET  64  15.368   8.388  -1.580
  485    H    GLN  65           H        GLN  65  16.308   2.121   0.969
  486    HA   GLN  65           HA       GLN  65  14.490   1.260   2.984
  487   1HB   GLN  65          HB2       GLN  65  17.220   0.366   2.010
  488   2HB   GLN  65          HB3       GLN  65  16.414  -0.465   3.348
  489   1HG   GLN  65          HG2       GLN  65  14.581  -1.155   1.981
  490   2HG   GLN  65          HG3       GLN  65  15.017  -0.049   0.683
  491   1HE2  GLN  65          HE22      GLN  65  15.061  -1.779  -0.870
  492   2HE2  GLN  65          HE21      GLN  65  16.358  -2.948  -0.895
  493    H    LYS  66           H        LYS  66  17.636   3.005   3.172
  494    HA   LYS  66           HA       LYS  66  17.842   2.929   6.037
  495   1HB   LYS  66          HB2       LYS  66  19.722   3.495   4.645
  496   2HB   LYS  66          HB3       LYS  66  18.839   4.794   3.878
  497   1HG   LYS  66          HG2       LYS  66  18.812   6.008   6.131
  498   2HG   LYS  66          HG3       LYS  66  19.882   4.727   6.726
  499   1HD   LYS  66          HD2       LYS  66  21.269   6.573   6.032
  500   2HD   LYS  66          HD3       LYS  66  21.458   5.285   4.823
  501   1HE   LYS  66          HE2       LYS  66  19.750   6.457   3.382
  502   2HE   LYS  66          HE3       LYS  66  19.658   7.753   4.572
  503   1HZ   LYS  66          HZ1       LYS  66  21.864   8.388   4.038
  504   2HZ   LYS  66          HZ2       LYS  66  22.173   7.014   3.197
  505   3HZ   LYS  66          HZ3       LYS  66  21.107   8.096   2.598
  506    H    GLN  67           H        GLN  67  16.122   5.193   3.758
  507    HA   GLN  67           HA       GLN  67  15.003   6.815   5.867
  508   1HB   GLN  67          HB2       GLN  67  13.844   6.262   3.105
  509   2HB   GLN  67          HB3       GLN  67  13.331   7.503   4.244
  510   1HG   GLN  67          HG2       GLN  67  15.679   8.469   4.148
  511   2HG   GLN  67          HG3       GLN  67  16.043   7.300   2.881
  512   1HE2  GLN  67          HE22      GLN  67  16.349   8.637   1.080
  513   2HE2  GLN  67          HE21      GLN  67  15.111   9.748   0.520
  514    H    GLY  68           H        GLY  68  14.060   3.703   4.496
  515   1HA   GLY  68          HA2       GLY  68  13.276   2.239   6.420
  516   2HA   GLY  68          HA3       GLY  68  11.939   3.382   6.579
  517    H    CYS  69           H        CYS  69  12.521   3.309   3.338
  518    HA   CYS  69           HA       CYS  69   9.974   2.193   2.791
  519   1HB   CYS  69          HB2       CYS  69  12.231   2.885   0.905
  520   2HB   CYS  69          HB3       CYS  69  10.510   2.865   0.522
  521    HG   CYS  69           HG       CYS  69  11.381   5.339   0.600
  522    H    ASP  70           H        ASP  70   9.834   0.918   0.635
  523    HA   ASP  70           HA       ASP  70  11.707  -1.332   0.338
  524   1HB   ASP  70          HB2       ASP  70   9.782  -2.288   1.545
  525   2HB   ASP  70          HB3       ASP  70   8.667  -1.551   0.386
  526    H    CYS  71           H        CYS  71  11.696  -1.966  -2.029
  527    HA   CYS  71           HA       CYS  71  10.602   0.150  -3.794
  528   1HB   CYS  71          HB2       CYS  71  13.587  -0.482  -3.524
  529   2HB   CYS  71          HB3       CYS  71  12.855   0.672  -4.629
  530    HG   CYS  71           HG       CYS  71  11.536   1.633  -2.224
  531    H    GLU  72           H        GLU  72  11.031  -0.218  -6.132
  532    HA   GLU  72           HA       GLU  72  12.093  -2.837  -6.966
  533   1HB   GLU  72          HB2       GLU  72   9.719  -3.254  -6.450
  534   2HB   GLU  72          HB3       GLU  72   9.245  -1.863  -7.447
  535   1HG   GLU  72          HG2       GLU  72   9.992  -2.926  -9.451
  536   2HG   GLU  72          HG3       GLU  72  10.822  -4.204  -8.555
  537    H    CYS  73           H        CYS  73  13.256  -2.460  -8.897
  538    HA   CYS  73           HA       CYS  73  12.993   0.078 -10.327
  539   1HB   CYS  73          HB2       CYS  73  14.509  -1.170 -11.998
  540   2HB   CYS  73          HB3       CYS  73  15.196  -0.751 -10.440
  541    HG   CYS  73           HG       CYS  73  16.007  -3.129 -11.273
  542    H    LEU  74           H        LEU  74  11.255   0.445 -11.590
  543    HA   LEU  74           HA       LEU  74   9.459  -1.688 -12.439
  544   1HB   LEU  74          HB2       LEU  74   9.638   1.241 -13.277
  545   2HB   LEU  74          HB3       LEU  74   8.346   0.125 -13.706
  546    HG   LEU  74           HG       LEU  74   8.997   1.187 -10.930
  547   1HD1  LEU  74          HD11      LEU  74   6.756   2.178 -11.106
  548   2HD1  LEU  74          HD12      LEU  74   7.773   2.696 -12.465
  549   3HD1  LEU  74          HD13      LEU  74   6.533   1.451 -12.710
  550   1HD2  LEU  74          HD21      LEU  74   6.940  -0.924 -11.724
  551   2HD2  LEU  74          HD22      LEU  74   8.298  -1.117 -10.587
  552   3HD2  LEU  74          HD23      LEU  74   6.950  -0.061 -10.173
  553    H    GLY  75           H        GLY  75  12.209   0.068 -13.807
  554   1HA   GLY  75          HA2       GLY  75  12.993  -1.901 -15.581
  555   2HA   GLY  75          HA3       GLY  75  11.982  -0.788 -16.522
  556    H    GLY  76           H        GLY  76  14.291  -0.549 -17.527
  557   1HA   GLY  76          HA2       GLY  76  15.334   2.000 -16.522
  558   2HA   GLY  76          HA3       GLY  76  16.507   0.675 -16.539
  559    H    GLY  77           H        GLY  77  17.387   2.488 -18.004
  560   1HA   GLY  77          HA2       GLY  77  17.349   1.807 -20.764
  561   2HA   GLY  77          HA3       GLY  77  16.290   3.202 -20.465
  562    H    ARG  78           H        ARG  78  17.812   4.604 -21.606
  563    HA   ARG  78           HA       ARG  78  20.033   5.471 -19.884
  564   1HB   ARG  78          HB2       ARG  78  21.603   5.646 -21.777
  565   2HB   ARG  78          HB3       ARG  78  21.199   3.990 -21.340
  566   1HG   ARG  78          HG2       ARG  78  19.734   3.768 -23.278
  567   2HG   ARG  78          HG3       ARG  78  19.968   5.488 -23.681
  568   1HD   ARG  78          HD2       ARG  78  22.259   5.175 -24.203
  569   2HD   ARG  78          HD3       ARG  78  22.333   3.600 -23.400
  570    HE   ARG  78           HE       ARG  78  20.640   2.907 -25.285
  571   1HH1  ARG  78          HH21      ARG  78  23.435   5.072 -25.731
  572   2HH1  ARG  78          HH22      ARG  78  23.852   4.432 -27.280
  573   1HH2  ARG  78          HH11      ARG  78  21.271   1.984 -27.245
  574   2HH2  ARG  78          HH12      ARG  78  22.515   2.714 -28.217
  575    H    ILE  79           H        ILE  79  20.991   7.497 -20.748
  576    HA   ILE  79           HA       ILE  79  18.877   9.400 -21.570
  577    HB   ILE  79           HB       ILE  79  20.351   9.093 -18.936
  578   1HG1  ILE  79          HG12      ILE  79  17.534   9.892 -19.780
  579   2HG1  ILE  79          HG13      ILE  79  18.034   8.346 -19.113
  580   1HG2  ILE  79          HG21      ILE  79  19.353  11.803 -19.954
  581   2HG2  ILE  79          HG22      ILE  79  19.947  11.453 -18.315
  582   3HG2  ILE  79          HG23      ILE  79  21.054  11.363 -19.659
  583   1HD1  ILE  79          HD11      ILE  79  18.656   9.612 -16.966
  584   2HD1  ILE  79          HD12      ILE  79  17.794  11.004 -17.663
  585   3HD1  ILE  79          HD13      ILE  79  16.924   9.498 -17.357
  586    H    SER  80           H        SER  80  19.676  11.184 -22.605
  587    HA   SER  80           HA       SER  80  22.572  11.652 -22.864
  588   1HB   SER  80          HB2       SER  80  20.752  11.170 -25.273
  589   2HB   SER  80          HB3       SER  80  22.476  11.569 -25.314
  590    HG   SER  80           HG       SER  80  22.026   9.326 -25.618
  591    H    HIS  81           H        HIS  81  22.931  13.741 -24.014
  592    HA   HIS  81           HA       HIS  81  20.618  15.622 -23.881
  593   1HB   HIS  81          HB2       HIS  81  22.659  16.167 -22.520
  594   2HB   HIS  81          HB3       HIS  81  23.602  16.227 -24.007
  595    HD1  HIS  81           HD1      HIS  81  22.109  18.169 -25.884
  596    HD2  HIS  81           HD2      HIS  81  22.156  18.517 -21.675
  597    HE1  HIS  81           HE1      HIS  81  21.639  20.598 -25.352
  598    H    GLN  82           H        GLN  82  19.834  16.262 -25.836
  599    HA   GLN  82           HA       GLN  82  20.825  14.981 -28.257
  600   1HB   GLN  82          HB2       GLN  82  18.560  16.958 -27.729
  601   2HB   GLN  82          HB3       GLN  82  18.854  16.147 -29.271
  602   1HG   GLN  82          HG2       GLN  82  18.528  13.943 -28.136
  603   2HG   GLN  82          HG3       GLN  82  18.173  14.798 -26.629
  604   1HE2  GLN  82          HE22      GLN  82  16.001  15.281 -26.241
  605   2HE2  GLN  82          HE21      GLN  82  14.770  15.185 -27.474
  606    H    SER  83           H        SER  83  21.005  16.327 -30.277
  607    HA   SER  83           HA       SER  83  22.236  19.009 -29.818
  608   1HB   SER  83          HB2       SER  83  23.048  16.969 -31.921
  609   2HB   SER  83          HB3       SER  83  23.806  18.538 -31.603
  610    HG   SER  83           HG       SER  83  24.937  16.782 -30.637
  611    H    GLN  84           H        GLN  84  20.091  16.995 -31.847
  612    HA   GLN  84           HA       GLN  84  19.518  18.917 -33.842
  613   1HB   GLN  84          HB2       GLN  84  17.506  17.617 -34.260
  614   2HB   GLN  84          HB3       GLN  84  18.903  16.564 -34.040
  615   1HG   GLN  84          HG2       GLN  84  18.147  16.082 -31.700
  616   2HG   GLN  84          HG3       GLN  84  16.735  17.108 -31.952
  617   1HE2  GLN  84          HE22      GLN  84  16.166  14.634 -31.133
  618   2HE2  GLN  84          HE21      GLN  84  15.563  13.641 -32.448
  619    H    ASP  85           H        ASP  85  18.519  18.702 -30.498
  620    HA   ASP  85           HA       ASP  85  17.474  21.393 -30.572
  621   1HB   ASP  85          HB2       ASP  85  15.427  19.905 -30.868
  622   2HB   ASP  85          HB3       ASP  85  15.811  19.164 -29.314
  623    H    LYS  86           H        LYS  86  17.642  22.195 -28.274
  624    HA   LYS  86           HA       LYS  86  20.046  20.868 -27.138
  625   1HB   LYS  86          HB2       LYS  86  19.009  23.655 -26.523
  626   2HB   LYS  86          HB3       LYS  86  20.600  22.985 -26.165
  627   1HG   LYS  86          HG2       LYS  86  19.443  23.739 -28.873
  628   2HG   LYS  86          HG3       LYS  86  20.787  24.495 -28.026
  629   1HD   LYS  86          HD2       LYS  86  22.174  22.464 -28.372
  630   2HD   LYS  86          HD3       LYS  86  20.815  21.672 -29.203
  631   1HE   LYS  86          HE2       LYS  86  20.769  23.592 -30.839
  632   2HE   LYS  86          HE3       LYS  86  22.243  24.213 -30.088
  633   1HZ   LYS  86          HZ1       LYS  86  23.340  22.128 -30.725
  634   2HZ   LYS  86          HZ2       LYS  86  21.961  21.585 -31.446
  635   3HZ   LYS  86          HZ3       LYS  86  22.742  22.893 -32.032
  636    H    LYS  87           H        LYS  87  18.387  19.173 -26.386
  637    HA   LYS  87           HA       LYS  87  17.612  19.772 -23.603
  638   1HB   LYS  87          HB2       LYS  87  15.312  19.192 -23.901
  639   2HB   LYS  87          HB3       LYS  87  15.706  20.492 -25.004
  640   1HG   LYS  87          HG2       LYS  87  15.888  18.755 -26.854
  641   2HG   LYS  87          HG3       LYS  87  15.318  17.535 -25.685
  642   1HD   LYS  87          HD2       LYS  87  13.253  18.802 -25.311
  643   2HD   LYS  87          HD3       LYS  87  13.849  20.111 -26.349
  644   1HE   LYS  87          HE2       LYS  87  13.972  18.220 -28.188
  645   2HE   LYS  87          HE3       LYS  87  12.849  17.363 -27.116
  646   1HZ   LYS  87          HZ1       LYS  87  11.570  18.695 -28.626
  647   2HZ   LYS  87          HZ2       LYS  87  11.513  19.505 -27.176
  648   3HZ   LYS  87          HZ3       LYS  87  12.529  20.011 -28.374
  649    H    ILE  88           H        ILE  88  16.575  17.726 -22.596
  650    HA   ILE  88           HA       ILE  88  18.566  15.620 -22.991
  651    HB   ILE  88           HB       ILE  88  16.278  15.852 -21.000
  652   1HG1  ILE  88          HG12      ILE  88  17.587  17.801 -20.651
  653   2HG1  ILE  88          HG13      ILE  88  17.993  16.670 -19.381
  654   1HG2  ILE  88          HG21      ILE  88  18.775  14.110 -20.939
  655   2HG2  ILE  88          HG22      ILE  88  17.739  14.408 -19.534
  656   3HG2  ILE  88          HG23      ILE  88  17.077  13.578 -20.927
  657   1HD1  ILE  88          HD11      ILE  88  20.072  16.038 -20.730
  658   2HD1  ILE  88          HD12      ILE  88  19.678  17.379 -21.819
  659   3HD1  ILE  88          HD13      ILE  88  20.032  17.700 -20.114
  660    H    HIS  89           H        HIS  89  17.837  13.275 -23.022
  661    HA   HIS  89           HA       HIS  89  15.145  12.782 -24.069
  662   1HB   HIS  89          HB2       HIS  89  16.859  13.028 -26.006
  663   2HB   HIS  89          HB3       HIS  89  17.547  11.518 -25.432
  664    HD1  HIS  89           HD1      HIS  89  14.063  12.856 -26.628
  665    HD2  HIS  89           HD2      HIS  89  16.509   9.426 -26.604
  666    HE1  HIS  89           HE1      HIS  89  12.833  11.068 -27.976
  667    H    VAL  90           H        VAL  90  14.440  10.650 -23.475
  668    HA   VAL  90           HA       VAL  90  16.280   9.012 -21.788
  669    HB   VAL  90           HB       VAL  90  13.331   9.456 -21.187
  670   1HG1  VAL  90          HG11      VAL  90  13.842   8.460 -19.063
  671   2HG1  VAL  90          HG12      VAL  90  14.593   7.437 -20.298
  672   3HG1  VAL  90          HG13      VAL  90  15.587   8.544 -19.355
  673   1HG2  VAL  90          HG21      VAL  90  15.627  11.047 -19.980
  674   2HG2  VAL  90          HG22      VAL  90  14.242  11.660 -20.903
  675   3HG2  VAL  90          HG23      VAL  90  13.985  10.954 -19.309
  676    H    TYR  91           H        TYR  91  16.316   6.891 -22.636
  677    HA   TYR  91           HA       TYR  91  13.990   5.861 -24.094
  678   1HB   TYR  91          HB2       TYR  91  15.055   5.826 -26.255
  679   2HB   TYR  91          HB3       TYR  91  15.065   7.472 -25.692
  680    HD1  TYR  91           HD1      TYR  91  17.059   4.746 -26.904
  681    HD2  TYR  91           HD2      TYR  91  17.297   8.358 -24.562
  682    HE1  TYR  91           HE1      TYR  91  19.477   4.849 -27.344
  683    HE2  TYR  91           HE2      TYR  91  19.725   8.462 -24.965
  684    HH   TYR  91           HH       TYR  91  21.444   6.125 -27.079
  685    H    GLY  92           H        GLY  92  14.970   3.831 -25.480
  686   1HA   GLY  92          HA2       GLY  92  16.406   2.059 -25.609
  687   2HA   GLY  92          HA3       GLY  92  17.273   2.615 -24.181
  688    H    TYR  93           H        TYR  93  17.318   0.352 -23.669
  689    HA   TYR  93           HA       TYR  93  14.975  -0.642 -22.159
  690   1HB   TYR  93          HB2       TYR  93  16.570  -2.123 -24.310
  691   2HB   TYR  93          HB3       TYR  93  15.676  -2.950 -23.053
  692    HD1  TYR  93           HD1      TYR  93  13.523  -3.696 -23.516
  693    HD2  TYR  93           HD2      TYR  93  15.106  -0.394 -25.793
  694    HE1  TYR  93           HE1      TYR  93  11.468  -3.657 -24.892
  695    HE2  TYR  93           HE2      TYR  93  13.041  -0.310 -27.129
  696    HH   TYR  93           HH       TYR  93  10.923  -1.191 -27.457
  697    H    SER  94           H        SER  94  15.722  -1.707 -20.255
  698    HA   SER  94           HA       SER  94  18.427  -1.222 -19.462
  699   1HB   SER  94          HB2       SER  94  16.789  -1.283 -17.768
  700   2HB   SER  94          HB3       SER  94  16.171  -2.853 -18.287
  701    HG   SER  94           HG       SER  94  17.718  -2.676 -16.380
  702    H    MET  95           H        MET  95  20.163  -2.646 -19.287
  703    HA   MET  95           HA       MET  95  20.217  -4.972 -21.035
  704   1HB   MET  95          HB2       MET  95  22.498  -5.212 -20.416
  705   2HB   MET  95          HB3       MET  95  22.187  -3.491 -20.630
  706   1HG   MET  95          HG2       MET  95  21.991  -3.273 -18.132
  707   2HG   MET  95          HG3       MET  95  22.364  -4.986 -17.978
  708   1HE   MET  95          HE1       MET  95  23.616  -1.412 -18.587
  709   2HE   MET  95          HE2       MET  95  25.313  -1.614 -19.081
  710   3HE   MET  95          HE3       MET  95  24.004  -2.037 -20.208
  711    H    ALA  96           H        ALA  96  19.036  -4.503 -17.841
  712    HA   ALA  96           HA       ALA  96  19.405  -7.393 -17.153
  713   1HB   ALA  96          HB1       ALA  96  21.004  -5.945 -15.937
  714   2HB   ALA  96          HB2       ALA  96  19.647  -4.968 -15.321
  715   3HB   ALA  96          HB3       ALA  96  19.812  -6.668 -14.841
  716    H    TYR  97           H        TYR  97  17.160  -4.807 -17.512
  717    HA   TYR  97           HA       TYR  97  15.007  -6.304 -16.116
  718   1HB   TYR  97          HB2       TYR  97  15.324  -3.283 -16.027
  719   2HB   TYR  97          HB3       TYR  97  14.157  -4.259 -15.160
  720    HD1  TYR  97           HD1      TYR  97  16.682  -2.181 -14.447
  721    HD2  TYR  97           HD2      TYR  97  15.664  -6.326 -13.797
  722    HE1  TYR  97           HE1      TYR  97  18.181  -2.241 -12.477
  723    HE2  TYR  97           HE2      TYR  97  17.153  -6.391 -11.831
  724    HH   TYR  97           HH       TYR  97  18.621  -5.204 -10.485
  725    H    GLY  98           H        GLY  98  12.842  -4.907 -16.811
  726   1HA   GLY  98          HA2       GLY  98  12.664  -4.998 -19.719
  727   2HA   GLY  98          HA3       GLY  98  11.408  -4.494 -18.580
  728    HA   PRO  99           HA       PRO  99  13.251  -0.588 -20.508
  729   1HB   PRO  99          HB2       PRO  99  11.096   0.191 -21.996
  730   2HB   PRO  99          HB3       PRO  99  12.383  -0.863 -22.651
  731   1HG   PRO  99          HG2       PRO  99   9.687  -1.681 -21.530
  732   2HG   PRO  99          HG3       PRO  99  10.464  -2.239 -23.037
  733   1HD   PRO  99          HD2       PRO  99  10.562  -3.661 -20.692
  734   2HD   PRO  99          HD3       PRO  99  11.917  -3.678 -21.855
  735    H    ALA 100           H        ALA 100  12.795   1.255 -19.311
  736    HA   ALA 100           HA       ALA 100  10.792   1.131 -17.201
  737   1HB   ALA 100          HB1       ALA 100  12.464   3.422 -18.274
  738   2HB   ALA 100          HB2       ALA 100  11.558   3.432 -16.751
  739   3HB   ALA 100          HB3       ALA 100  12.951   2.360 -16.944
  740    H    GLN 101           H        GLN 101   9.175   2.866 -16.928
  741    HA   GLN 101           HA       GLN 101   7.665   3.519 -19.378
  742   1HB   GLN 101          HB2       GLN 101   7.169   4.017 -16.404
  743   2HB   GLN 101          HB3       GLN 101   6.135   4.641 -17.696
  744   1HG   GLN 101          HG2       GLN 101   5.618   2.394 -18.466
  745   2HG   GLN 101          HG3       GLN 101   6.714   1.685 -17.267
  746   1HE2  GLN 101          HE22      GLN 101   3.665   3.575 -17.632
  747   2HE2  GLN 101          HE21      GLN 101   3.012   3.131 -16.077
  748    H    HIS 102           H        HIS 102   9.676   4.690 -20.179
  749    HA   HIS 102           HA       HIS 102  10.846   6.857 -18.912
  750   1HB   HIS 102          HB2       HIS 102  10.354   6.627 -21.891
  751   2HB   HIS 102          HB3       HIS 102  11.630   7.553 -21.109
  752    HD1  HIS 102           HD1      HIS 102  11.062   4.156 -22.564
  753    HD2  HIS 102           HD2      HIS 102  13.295   5.872 -19.452
  754    HE1  HIS 102           HE1      HIS 102  12.815   2.439 -21.881
  755    H    ALA 103           H        ALA 103   7.660   6.821 -20.360
  756    HA   ALA 103           HA       ALA 103   7.114   9.538 -20.747
  757   1HB   ALA 103          HB1       ALA 103   5.352   7.346 -19.564
  758   2HB   ALA 103          HB2       ALA 103   4.784   8.907 -20.197
  759   3HB   ALA 103          HB3       ALA 103   5.545   7.736 -21.291
  760    H    ILE 104           H        ILE 104   7.345   7.659 -17.706
  761    HA   ILE 104           HA       ILE 104   6.328   9.670 -15.932
  762    HB   ILE 104           HB       ILE 104   8.233   7.326 -15.480
  763   1HG1  ILE 104          HG12      ILE 104   5.959   6.666 -16.340
  764   2HG1  ILE 104          HG13      ILE 104   6.367   6.018 -14.763
  765   1HG2  ILE 104          HG21      ILE 104   7.459   7.478 -13.076
  766   2HG2  ILE 104          HG22      ILE 104   8.550   8.751 -13.631
  767   3HG2  ILE 104          HG23      ILE 104   6.814   9.091 -13.466
  768   1HD1  ILE 104          HD11      ILE 104   4.649   8.508 -15.135
  769   2HD1  ILE 104          HD12      ILE 104   4.020   6.846 -14.954
  770   3HD1  ILE 104          HD13      ILE 104   4.943   7.584 -13.634
  771    H    SER 105           H        SER 105   9.648   8.809 -17.084
  772    HA   SER 105           HA       SER 105  11.039  10.681 -15.531
  773   1HB   SER 105          HB2       SER 105  11.702   9.748 -18.349
  774   2HB   SER 105          HB3       SER 105  12.807  10.371 -17.130
  775    HG   SER 105           HG       SER 105  12.800   8.092 -17.170
  776    H    THR 106           H        THR 106   9.739  11.016 -18.913
  777    HA   THR 106           HA       THR 106  10.486  13.717 -19.181
  778    HB   THR 106           HB       THR 106   8.407  13.750 -20.805
  779    HG1  THR 106           HG1      THR 106   7.565  11.716 -19.896
  780   1HG2  THR 106          HG21      THR 106  10.830  11.937 -21.188
  781   2HG2  THR 106          HG22      THR 106   9.722  12.452 -22.480
  782   3HG2  THR 106          HG23      THR 106  10.683  13.656 -21.623
  783    H    GLU 107           H        GLU 107   7.433  12.389 -17.747
  784    HA   GLU 107           HA       GLU 107   6.222  14.924 -17.380
  785   1HB   GLU 107          HB2       GLU 107   5.870  12.191 -16.049
  786   2HB   GLU 107          HB3       GLU 107   4.992  13.615 -15.480
  787   1HG   GLU 107          HG2       GLU 107   4.071  13.990 -17.744
  788   2HG   GLU 107          HG3       GLU 107   4.924  12.572 -18.342
  789    H    LYS 108           H        LYS 108   8.245  12.974 -15.111
  790    HA   LYS 108           HA       LYS 108   8.030  14.915 -13.000
  791   1HB   LYS 108          HB2       LYS 108   9.968  12.612 -13.501
  792   2HB   LYS 108          HB3       LYS 108   9.951  13.593 -12.024
  793   1HG   LYS 108          HG2       LYS 108   7.710  12.948 -11.474
  794   2HG   LYS 108          HG3       LYS 108   7.522  12.051 -12.988
  795   1HD   LYS 108          HD2       LYS 108   9.221  10.460 -12.365
  796   2HD   LYS 108          HD3       LYS 108   9.665  11.367 -10.914
  797   1HE   LYS 108          HE2       LYS 108   6.822  10.386 -11.354
  798   2HE   LYS 108          HE3       LYS 108   8.055   9.306 -10.680
  799   1HZ   LYS 108          HZ1       LYS 108   6.630  10.784  -9.095
  800   2HZ   LYS 108          HZ2       LYS 108   8.226  10.519  -8.787
  801   3HZ   LYS 108          HZ3       LYS 108   7.795  11.925  -9.420
  802    H    ILE 109           H        ILE 109  10.583  14.340 -15.477
  803    HA   ILE 109           HA       ILE 109  12.389  16.303 -14.435
  804    HB   ILE 109           HB       ILE 109  12.010  15.017 -17.140
  805   1HG1  ILE 109          HG12      ILE 109  14.325  14.696 -15.173
  806   2HG1  ILE 109          HG13      ILE 109  12.886  13.679 -15.121
  807   1HG2  ILE 109          HG21      ILE 109  14.176  15.931 -17.885
  808   2HG2  ILE 109          HG22      ILE 109  13.061  17.247 -17.545
  809   3HG2  ILE 109          HG23      ILE 109  14.329  16.834 -16.378
  810   1HD1  ILE 109          HD11      ILE 109  13.336  12.987 -17.509
  811   2HD1  ILE 109          HD12      ILE 109  14.887  13.852 -17.407
  812   3HD1  ILE 109          HD13      ILE 109  14.565  12.483 -16.338
  813    H    LYS 110           H        LYS 110   9.728  16.563 -16.967
  814    HA   LYS 110           HA       LYS 110  10.263  19.349 -17.369
  815   1HB   LYS 110          HB2       LYS 110   7.735  17.719 -17.840
  816   2HB   LYS 110          HB3       LYS 110   7.895  19.438 -18.257
  817   1HG   LYS 110          HG2       LYS 110   9.805  18.980 -19.705
  818   2HG   LYS 110          HG3       LYS 110   9.713  17.256 -19.311
  819   1HD   LYS 110          HD2       LYS 110   7.499  17.080 -20.333
  820   2HD   LYS 110          HD3       LYS 110   7.496  18.830 -20.685
  821   1HE   LYS 110          HE2       LYS 110   9.522  18.575 -22.085
  822   2HE   LYS 110          HE3       LYS 110   9.595  16.857 -21.697
  823   1HZ   LYS 110          HZ1       LYS 110   7.442  18.166 -23.257
  824   2HZ   LYS 110          HZ2       LYS 110   8.610  17.176 -23.837
  825   3HZ   LYS 110          HZ3       LYS 110   7.456  16.583 -22.849
  826    H    ALA 111           H        ALA 111   8.256  17.679 -14.891
  827    HA   ALA 111           HA       ALA 111   7.084  20.071 -13.870
  828   1HB   ALA 111          HB1       ALA 111   6.662  18.757 -11.841
  829   2HB   ALA 111          HB2       ALA 111   6.270  17.817 -13.293
  830   3HB   ALA 111          HB3       ALA 111   7.772  17.491 -12.398
  831    H    LYS 112           H        LYS 112  10.227  18.461 -13.113
  832    HA   LYS 112           HA       LYS 112  10.788  20.449 -11.017
  833   1HB   LYS 112          HB2       LYS 112  11.903  17.811 -11.858
  834   2HB   LYS 112          HB3       LYS 112  13.106  18.970 -11.327
  835   1HG   LYS 112          HG2       LYS 112  12.438  17.704  -9.413
  836   2HG   LYS 112          HG3       LYS 112  11.917  19.370  -9.232
  837   1HD   LYS 112          HD2       LYS 112  10.168  18.038  -8.393
  838   2HD   LYS 112          HD3       LYS 112   9.575  18.635  -9.947
  839   1HE   LYS 112          HE2       LYS 112  10.169  16.454 -10.999
  840   2HE   LYS 112          HE3       LYS 112  10.858  15.909  -9.470
  841   1HZ   LYS 112          HZ1       LYS 112   8.729  14.985  -9.563
  842   2HZ   LYS 112          HZ2       LYS 112   8.568  16.217  -8.516
  843   3HZ   LYS 112          HZ3       LYS 112   7.996  16.389 -10.037
  844    H    TYR 113           H        TYR 113  11.547  20.173 -14.395
  845    HA   TYR 113           HA       TYR 113  13.027  21.098 -15.757
  846   1HB   TYR 113          HB2       TYR 113  12.471  23.563 -14.085
  847   2HB   TYR 113          HB3       TYR 113  13.337  23.570 -15.613
  848    HD1  TYR 113           HD1      TYR 113  12.140  22.432 -17.668
  849    HD2  TYR 113           HD2      TYR 113  10.137  23.997 -14.177
  850    HE1  TYR 113           HE1      TYR 113  10.064  22.699 -18.987
  851    HE2  TYR 113           HE2      TYR 113   8.060  24.282 -15.489
  852    HH   TYR 113           HH       TYR 113   7.033  24.026 -17.568
  853    HA   PRO 114           HA       PRO 114  16.845  20.840 -13.080
  854   1HB   PRO 114          HB2       PRO 114  17.739  18.362 -13.708
  855   2HB   PRO 114          HB3       PRO 114  16.508  18.609 -12.429
  856   1HG   PRO 114          HG2       PRO 114  16.072  17.832 -15.320
  857   2HG   PRO 114          HG3       PRO 114  15.377  17.064 -13.858
  858   1HD   PRO 114          HD2       PRO 114  14.040  18.960 -15.352
  859   2HD   PRO 114          HD3       PRO 114  13.805  18.774 -13.590
  860    H    ASP 115           H        ASP 115  15.686  20.420 -16.313
  861    HA   ASP 115           HA       ASP 115  17.942  21.832 -17.442
  862   1HB   ASP 115          HB2       ASP 115  18.371  19.292 -17.778
  863   2HB   ASP 115          HB3       ASP 115  16.969  19.315 -18.844
  864    H    TYR 116           H        TYR 116  17.041  22.142 -19.989
  865    HA   TYR 116           HA       TYR 116  14.867  23.944 -19.537
  866   1HB   TYR 116          HB2       TYR 116  16.645  24.403 -21.126
  867   2HB   TYR 116          HB3       TYR 116  16.285  22.941 -22.035
  868    HD1  TYR 116           HD1      TYR 116  14.800  23.012 -23.876
  869    HD2  TYR 116           HD2      TYR 116  14.770  26.225 -20.992
  870    HE1  TYR 116           HE1      TYR 116  13.240  24.278 -25.316
  871    HE2  TYR 116           HE2      TYR 116  13.207  27.504 -22.428
  872    HH   TYR 116           HH       TYR 116  12.007  26.241 -25.576
  873    H    GLU 117           H        GLU 117  15.071  20.762 -21.233
  874    HA   GLU 117           HA       GLU 117  12.280  20.215 -20.857
  875   1HB   GLU 117          HB2       GLU 117  12.368  21.855 -22.865
  876   2HB   GLU 117          HB3       GLU 117  13.176  20.568 -23.750
  877   1HG   GLU 117          HG2       GLU 117  11.138  19.148 -23.450
  878   2HG   GLU 117          HG3       GLU 117  10.396  20.434 -22.500
  879    H    VAL 118           H        VAL 118  11.894  18.065 -22.349
  880    HA   VAL 118           HA       VAL 118  14.204  16.427 -22.784
  881    HB   VAL 118           HB       VAL 118  14.089  16.340 -20.349
  882   1HG1  VAL 118          HG11      VAL 118  11.159  15.672 -20.698
  883   2HG1  VAL 118          HG12      VAL 118  12.069  15.300 -19.235
  884   3HG1  VAL 118          HG13      VAL 118  11.919  16.978 -19.759
  885   1HG2  VAL 118          HG21      VAL 118  14.041  14.015 -19.943
  886   2HG2  VAL 118          HG22      VAL 118  12.973  13.699 -21.318
  887   3HG2  VAL 118          HG23      VAL 118  14.644  14.229 -21.590
  888    H    THR 119           H        THR 119  13.398  14.256 -23.628
  889    HA   THR 119           HA       THR 119  10.560  14.053 -24.330
  890    HB   THR 119           HB       THR 119  11.411  13.426 -26.744
  891    HG1  THR 119           HG1      THR 119  13.445  15.124 -25.739
  892   1HG2  THR 119          HG21      THR 119  11.287  16.363 -25.943
  893   2HG2  THR 119          HG22      THR 119  11.073  15.686 -27.572
  894   3HG2  THR 119          HG23      THR 119   9.893  15.324 -26.302
  895    H    TRP 120           H        TRP 120  10.370  11.707 -25.515
  896    HA   TRP 120           HA       TRP 120  12.481   9.936 -24.566
  897   1HB   TRP 120          HB2       TRP 120  11.059   8.390 -23.463
  898   2HB   TRP 120          HB3       TRP 120  10.760   9.949 -22.725
  899    HD1  TRP 120           HD1      TRP 120   8.413  11.168 -23.936
  900    HE1  TRP 120           HE1      TRP 120   6.116  10.089 -24.163
  901    HE3  TRP 120           HE3      TRP 120   9.856   6.261 -24.006
  902    HZ2  TRP 120           HZ2      TRP 120   5.017   7.402 -24.243
  903    HZ3  TRP 120           HZ3      TRP 120   8.158   4.461 -24.079
  904    HH2  TRP 120           HH2      TRP 120   5.738   5.016 -24.207
  905    H    ALA 121           H        ALA 121  12.198   7.707 -25.402
  906    HA   ALA 121           HA       ALA 121  10.314   7.357 -27.576
  907   1HB   ALA 121          HB1       ALA 121  13.332   7.078 -28.061
  908   2HB   ALA 121          HB2       ALA 121  12.053   6.611 -29.202
  909   3HB   ALA 121          HB3       ALA 121  12.283   8.322 -28.780
  910    H    ASN 122           H        ASN 122   9.871   5.141 -27.855
  911    HA   ASN 122           HA       ASN 122  10.704   3.404 -25.636
  912   1HB   ASN 122          HB2       ASN 122   8.814   2.107 -26.156
  913   2HB   ASN 122          HB3       ASN 122   8.282   3.776 -26.310
  914   1HD2  ASN 122          HD22      ASN 122   7.466   1.029 -27.632
  915   2HD2  ASN 122          HD21      ASN 122   7.355   1.445 -29.322
  916    H    ASP 123           H        ASP 123  12.702   3.983 -27.705
  917    HA   ASP 123           HA       ASP 123  13.284   1.328 -28.813
  918   1HB   ASP 123          HB2       ASP 123  11.740   2.699 -30.420
  919   2HB   ASP 123          HB3       ASP 123  13.158   3.701 -30.700
  920    H    GLY 124           H        GLY 124  15.438   2.241 -30.476
  921   1HA   GLY 124          HA2       GLY 124  17.456   3.307 -30.518
  922   2HA   GLY 124          HA3       GLY 124  17.062   4.164 -29.029
  923    H    TYR 125           H        TYR 125  16.448   1.463 -27.769
  924    HA   TYR 125           HA       TYR 125  17.451   0.067 -26.282
  925   1HB   TYR 125          HB2       TYR 125  18.845  -0.727 -28.852
  926   2HB   TYR 125          HB3       TYR 125  18.865  -1.670 -27.370
  927    HD1  TYR 125           HD1      TYR 125  16.623  -0.359 -30.059
  928    HD2  TYR 125           HD2      TYR 125  17.028  -3.062 -26.720
  929    HE1  TYR 125           HE1      TYR 125  14.478  -1.437 -30.675
  930    HE2  TYR 125           HE2      TYR 125  14.900  -4.155 -27.334
  931    HH   TYR 125           HH       TYR 125  13.106  -4.198 -28.825
  Start of MODEL   18
    1   1H    MET   1          H1        MET   1   9.325  17.030  16.184
    2   2H    MET   1          H2        MET   1   8.093  16.728  15.147
    3   3H    MET   1          H3        MET   1   8.141  15.967  16.592
    4    HA   MET   1           HA       MET   1  10.054  15.616  14.394
    5   1HB   MET   1          HB2       MET   1  11.120  15.380  16.626
    6   2HB   MET   1          HB3       MET   1   9.926  14.161  17.076
    7   1HG   MET   1          HG2       MET   1  12.049  13.143  16.387
    8   2HG   MET   1          HG3       MET   1  10.730  12.654  15.340
    9   1HE   MET   1          HE1       MET   1  14.111  14.541  15.691
   10   2HE   MET   1          HE2       MET   1  14.265  15.419  14.154
   11   3HE   MET   1          HE3       MET   1  13.070  15.946  15.357
   12    H    ALA   2           H        ALA   2   9.505  14.094  12.887
   13    HA   ALA   2           HA       ALA   2   7.638  11.942  13.462
   14   1HB   ALA   2          HB1       ALA   2   6.141  12.514  11.565
   15   2HB   ALA   2          HB2       ALA   2   6.073  13.770  12.813
   16   3HB   ALA   2          HB3       ALA   2   7.011  14.043  11.325
   17    H    VAL   3           H        VAL   3   7.583  10.456  11.508
   18    HA   VAL   3           HA       VAL   3  10.184  10.084  10.359
   19    HB   VAL   3           HB       VAL   3   9.073   8.247   9.170
   20   1HG1  VAL   3          HG11      VAL   3   8.199   8.282  12.088
   21   2HG1  VAL   3          HG12      VAL   3   8.581   6.872  11.081
   22   3HG1  VAL   3          HG13      VAL   3   9.861   8.009  11.546
   23   1HG2  VAL   3          HG21      VAL   3   6.812   9.277   8.799
   24   2HG2  VAL   3          HG22      VAL   3   6.759   7.648   9.471
   25   3HG2  VAL   3          HG23      VAL   3   6.456   9.046  10.521
   26    H    ALA   4           H        ALA   4  10.523   9.888   7.956
   27    HA   ALA   4           HA       ALA   4   9.657  12.235   6.499
   28   1HB   ALA   4          HB1       ALA   4  11.861  11.132   6.118
   29   2HB   ALA   4          HB2       ALA   4  11.026   9.702   5.477
   30   3HB   ALA   4          HB3       ALA   4  10.904  11.253   4.636
   31    H    ASP   5           H        ASP   5   8.792  11.614   4.073
   32    HA   ASP   5           HA       ASP   5   6.581   9.678   4.164
   33   1HB   ASP   5          HB2       ASP   5   5.567  11.713   5.131
   34   2HB   ASP   5          HB3       ASP   5   6.179  12.680   3.787
   35    H    LEU   6           H        LEU   6   5.782   9.300   1.959
   36    HA   LEU   6           HA       LEU   6   7.765   9.143   0.002
   37   1HB   LEU   6          HB2       LEU   6   4.727   9.189  -0.198
   38   2HB   LEU   6          HB3       LEU   6   5.774   8.896  -1.561
   39    HG   LEU   6           HG       LEU   6   5.469   7.117   0.863
   40   1HD1  LEU   6          HD11      LEU   6   4.616   5.530  -0.828
   41   2HD1  LEU   6          HD12      LEU   6   3.669   7.025  -0.831
   42   3HD1  LEU   6          HD13      LEU   6   4.864   6.733  -2.106
   43   1HD2  LEU   6          HD21      LEU   6   7.431   6.891  -1.454
   44   2HD2  LEU   6          HD22      LEU   6   7.788   6.912   0.294
   45   3HD2  LEU   6          HD23      LEU   6   6.975   5.527  -0.421
   46    H    ALA   7           H        ALA   7   5.490  11.844   0.585
   47    HA   ALA   7           HA       ALA   7   6.017  13.132  -1.911
   48   1HB   ALA   7          HB1       ALA   7   3.972  13.542  -0.577
   49   2HB   ALA   7          HB2       ALA   7   4.962  14.288   0.704
   50   3HB   ALA   7          HB3       ALA   7   4.855  15.047  -0.897
   51    H    LEU   8           H        LEU   8   7.782  12.956   1.099
   52    HA   LEU   8           HA       LEU   8   9.297  15.449   0.629
   53   1HB   LEU   8          HB2       LEU   8   9.523  13.350   2.825
   54   2HB   LEU   8          HB3       LEU   8  10.423  14.857   2.752
   55    HG   LEU   8           HG       LEU   8   7.392  14.646   3.027
   56   1HD1  LEU   8          HD11      LEU   8   8.576  13.895   5.042
   57   2HD1  LEU   8          HD12      LEU   8   9.531  15.394   5.065
   58   3HD1  LEU   8          HD13      LEU   8   7.773  15.441   5.328
   59   1HD2  LEU   8          HD21      LEU   8   9.224  17.086   3.097
   60   2HD2  LEU   8          HD22      LEU   8   7.972  16.731   1.883
   61   3HD2  LEU   8          HD23      LEU   8   7.504  17.081   3.546
   62    H    ILE   9           H        ILE   9   9.525  12.028  -0.078
   63    HA   ILE   9           HA       ILE   9  12.343  11.791  -0.330
   64    HB   ILE   9           HB       ILE   9  10.119  10.430  -1.898
   65   1HG1  ILE   9          HG12      ILE   9  11.706   9.567   0.572
   66   2HG1  ILE   9          HG13      ILE   9  10.001  10.054   0.555
   67   1HG2  ILE   9          HG21      ILE   9  12.317  10.286  -3.067
   68   2HG2  ILE   9          HG22      ILE   9  13.034   9.630  -1.581
   69   3HG2  ILE   9          HG23      ILE   9  11.790   8.724  -2.470
   70   1HD1  ILE   9          HD11      ILE   9  11.199   7.536  -0.615
   71   2HD1  ILE   9          HD12      ILE   9   9.997   7.709   0.667
   72   3HD1  ILE   9          HD13      ILE   9   9.561   8.109  -1.013
   73    HA   PRO  10           HA       PRO  10  12.859  14.820  -3.699
   74   1HB   PRO  10          HB2       PRO  10  15.222  13.051  -4.357
   75   2HB   PRO  10          HB3       PRO  10  15.147  14.837  -4.258
   76   1HG   PRO  10          HG2       PRO  10  16.223  13.390  -2.229
   77   2HG   PRO  10          HG3       PRO  10  15.146  14.780  -1.875
   78   1HD   PRO  10          HD2       PRO  10  14.470  11.831  -1.860
   79   2HD   PRO  10          HD3       PRO  10  14.005  13.114  -0.699
   80    H    ASP  11           H        ASP  11  12.102  14.817  -5.842
   81    HA   ASP  11           HA       ASP  11  10.933  12.294  -6.690
   82   1HB   ASP  11          HB2       ASP  11   9.809  14.566  -6.654
   83   2HB   ASP  11          HB3       ASP  11  10.771  14.995  -8.071
   84    H    VAL  12           H        VAL  12  13.400  14.543  -8.030
   85    HA   VAL  12           HA       VAL  12  14.354  12.425  -9.876
   86    HB   VAL  12           HB       VAL  12  13.708  15.287 -10.678
   87   1HG1  VAL  12          HG11      VAL  12  14.832  13.029 -12.386
   88   2HG1  VAL  12          HG12      VAL  12  14.337  14.639 -12.953
   89   3HG1  VAL  12          HG13      VAL  12  15.707  14.488 -11.871
   90   1HG2  VAL  12          HG21      VAL  12  12.133  14.219 -12.306
   91   2HG2  VAL  12          HG22      VAL  12  12.337  12.688 -11.433
   92   3HG2  VAL  12          HG23      VAL  12  11.633  14.103 -10.624
   93    H    ASP  13           H        ASP  13  16.574  12.473 -10.081
   94    HA   ASP  13           HA       ASP  13  18.109  14.869  -9.676
   95   1HB   ASP  13          HB2       ASP  13  18.029  14.208  -7.310
   96   2HB   ASP  13          HB3       ASP  13  18.513  12.561  -7.722
   97    H    ILE  14           H        ILE  14  19.397  14.682 -11.471
   98    HA   ILE  14           HA       ILE  14  20.504  12.076 -12.248
   99    HB   ILE  14           HB       ILE  14  19.768  12.374 -14.583
  100   1HG1  ILE  14          HG12      ILE  14  17.835  14.518 -13.584
  101   2HG1  ILE  14          HG13      ILE  14  19.310  14.848 -14.496
  102   1HG2  ILE  14          HG21      ILE  14  17.339  12.193 -12.757
  103   2HG2  ILE  14          HG22      ILE  14  17.568  11.435 -14.347
  104   3HG2  ILE  14          HG23      ILE  14  18.531  10.899 -12.974
  105   1HD1  ILE  14          HD11      ILE  14  17.429  14.902 -15.999
  106   2HD1  ILE  14          HD12      ILE  14  18.438  13.496 -16.396
  107   3HD1  ILE  14          HD13      ILE  14  16.910  13.285 -15.507
  108    H    ASP  15           H        ASP  15  22.214  12.336 -13.867
  109    HA   ASP  15           HA       ASP  15  23.868  14.674 -13.533
  110   1HB   ASP  15          HB2       ASP  15  24.791  12.491 -14.115
  111   2HB   ASP  15          HB3       ASP  15  23.884  12.472 -15.627
  112    H    SER  16           H        SER  16  23.686  16.640 -14.536
  113    HA   SER  16           HA       SER  16  21.331  17.279 -15.882
  114   1HB   SER  16          HB2       SER  16  23.882  18.928 -15.825
  115   2HB   SER  16          HB3       SER  16  22.212  19.514 -15.918
  116    HG   SER  16           HG       SER  16  23.085  19.658 -13.794
  117    H    ASP  17           H        ASP  17  24.475  16.408 -17.316
  118    HA   ASP  17           HA       ASP  17  23.447  16.710 -20.063
  119   1HB   ASP  17          HB2       ASP  17  24.138  19.008 -19.565
  120   2HB   ASP  17          HB3       ASP  17  25.657  18.452 -18.877
  121    H    GLY  18           H        GLY  18  24.352  15.011 -21.227
  122   1HA   GLY  18          HA2       GLY  18  26.874  14.269 -21.615
  123   2HA   GLY  18          HA3       GLY  18  26.603  13.545 -20.026
  124    H    VAL  19           H        VAL  19  27.003  11.541 -21.007
  125    HA   VAL  19           HA       VAL  19  24.639  10.274 -22.271
  126    HB   VAL  19           HB       VAL  19  27.586   9.819 -22.936
  127   1HG1  VAL  19          HG11      VAL  19  26.802   8.180 -24.594
  128   2HG1  VAL  19          HG12      VAL  19  26.343   7.683 -22.963
  129   3HG1  VAL  19          HG13      VAL  19  25.131   8.397 -24.045
  130   1HG2  VAL  19          HG21      VAL  19  25.322  10.936 -24.644
  131   2HG2  VAL  19          HG22      VAL  19  26.757  11.813 -24.079
  132   3HG2  VAL  19          HG23      VAL  19  26.938  10.501 -25.242
  133    H    PHE  20           H        PHE  20  23.844   8.971 -20.671
  134    HA   PHE  20           HA       PHE  20  25.575   7.288 -19.041
  135   1HB   PHE  20          HB2       PHE  20  24.903   8.225 -16.909
  136   2HB   PHE  20          HB3       PHE  20  25.781   9.427 -17.828
  137    HD1  PHE  20           HD1      PHE  20  22.603   8.593 -16.231
  138    HD2  PHE  20           HD2      PHE  20  24.517  11.351 -18.934
  139    HE1  PHE  20           HE1      PHE  20  20.719  10.182 -15.947
  140    HE2  PHE  20           HE2      PHE  20  22.617  12.923 -18.668
  141    HZ   PHE  20           HZ       PHE  20  20.722  12.345 -17.170
  142    H    LYS  21           H        LYS  21  24.037   6.206 -17.279
  143    HA   LYS  21           HA       LYS  21  21.533   5.449 -18.724
  144   1HB   LYS  21          HB2       LYS  21  23.609   3.805 -17.235
  145   2HB   LYS  21          HB3       LYS  21  21.978   3.203 -17.530
  146   1HG   LYS  21          HG2       LYS  21  22.224   3.077 -19.826
  147   2HG   LYS  21          HG3       LYS  21  23.463   4.320 -19.899
  148   1HD   LYS  21          HD2       LYS  21  24.038   1.600 -18.686
  149   2HD   LYS  21          HD3       LYS  21  24.206   1.959 -20.417
  150   1HE   LYS  21          HE2       LYS  21  25.688   3.924 -19.818
  151   2HE   LYS  21          HE3       LYS  21  25.645   3.383 -18.136
  152   1HZ   LYS  21          HZ1       LYS  21  26.652   1.297 -18.867
  153   2HZ   LYS  21          HZ2       LYS  21  26.761   1.852 -20.419
  154   3HZ   LYS  21          HZ3       LYS  21  27.609   2.576 -19.205
  155    H    TYR  22           H        TYR  22  19.735   4.819 -17.415
  156    HA   TYR  22           HA       TYR  22  19.724   5.984 -14.698
  157   1HB   TYR  22          HB2       TYR  22  18.482   7.779 -15.230
  158   2HB   TYR  22          HB3       TYR  22  19.056   7.555 -16.863
  159    HD1  TYR  22           HD1      TYR  22  17.581   6.214 -18.474
  160    HD2  TYR  22           HD2      TYR  22  16.240   7.526 -14.591
  161    HE1  TYR  22           HE1      TYR  22  15.300   5.427 -18.997
  162    HE2  TYR  22           HE2      TYR  22  13.951   6.729 -15.103
  163    HH   TYR  22           HH       TYR  22  13.244   4.919 -18.088
  164    H    VAL  23           H        VAL  23  17.476   5.602 -13.694
  165    HA   VAL  23           HA       VAL  23  16.118   3.182 -14.645
  166    HB   VAL  23           HB       VAL  23  18.054   2.506 -13.183
  167   1HG1  VAL  23          HG11      VAL  23  16.505   3.874 -10.948
  168   2HG1  VAL  23          HG12      VAL  23  17.919   2.822 -10.750
  169   3HG1  VAL  23          HG13      VAL  23  18.063   4.381 -11.587
  170   1HG2  VAL  23          HG21      VAL  23  15.315   1.775 -12.100
  171   2HG2  VAL  23          HG22      VAL  23  16.185   1.001 -13.444
  172   3HG2  VAL  23          HG23      VAL  23  16.837   0.906 -11.807
  173    H    LEU  24           H        LEU  24  13.996   2.965 -13.698
  174    HA   LEU  24           HA       LEU  24  12.912   5.416 -12.379
  175   1HB   LEU  24          HB2       LEU  24  12.056   5.047 -14.716
  176   2HB   LEU  24          HB3       LEU  24  11.552   3.427 -14.251
  177    HG   LEU  24           HG       LEU  24   9.905   4.476 -12.591
  178   1HD1  LEU  24          HD11      LEU  24  10.693   7.053 -13.997
  179   2HD1  LEU  24          HD12      LEU  24   9.397   6.836 -12.801
  180   3HD1  LEU  24          HD13      LEU  24  11.069   6.658 -12.300
  181   1HD2  LEU  24          HD21      LEU  24   9.588   5.323 -15.482
  182   2HD2  LEU  24          HD22      LEU  24   9.187   3.724 -14.797
  183   3HD2  LEU  24          HD23      LEU  24   8.303   5.150 -14.260
  184    H    ILE  25           H        ILE  25  12.531   4.863 -10.203
  185    HA   ILE  25           HA       ILE  25  11.856   2.010  -9.696
  186    HB   ILE  25           HB       ILE  25  13.378   1.651  -8.273
  187   1HG1  ILE  25          HG12      ILE  25  13.337   4.380  -6.973
  188   2HG1  ILE  25          HG13      ILE  25  12.294   3.041  -6.501
  189   1HG2  ILE  25          HG21      ILE  25  14.804   4.221  -9.000
  190   2HG2  ILE  25          HG22      ILE  25  15.535   2.719  -8.412
  191   3HG2  ILE  25          HG23      ILE  25  14.776   2.734 -10.000
  192   1HD1  ILE  25          HD11      ILE  25  15.310   3.096  -6.269
  193   2HD1  ILE  25          HD12      ILE  25  14.104   3.079  -4.977
  194   3HD1  ILE  25          HD13      ILE  25  14.291   1.652  -6.022
  195    H    ARG  26           H        ARG  26  10.227   1.529  -8.449
  196    HA   ARG  26           HA       ARG  26   8.399   3.658  -7.534
  197   1HB   ARG  26          HB2       ARG  26   7.535   1.662  -8.721
  198   2HB   ARG  26          HB3       ARG  26   8.245   0.598  -7.513
  199   1HG   ARG  26          HG2       ARG  26   6.765   1.312  -5.806
  200   2HG   ARG  26          HG3       ARG  26   6.271   2.762  -6.690
  201   1HD   ARG  26          HD2       ARG  26   5.678  -0.048  -7.695
  202   2HD   ARG  26          HD3       ARG  26   4.579   0.853  -6.629
  203    HE   ARG  26           HE       ARG  26   5.036   2.679  -8.592
  204   1HH1  ARG  26          HH21      ARG  26   3.899  -0.698  -8.817
  205   2HH1  ARG  26          HH22      ARG  26   2.990  -0.399 -10.252
  206   1HH2  ARG  26          HH11      ARG  26   3.917   3.060 -10.313
  207   2HH2  ARG  26          HH12      ARG  26   2.983   1.849 -11.178
  208    H    VAL  27           H        VAL  27   8.020   3.949  -5.303
  209    HA   VAL  27           HA       VAL  27   9.532   2.313  -3.376
  210    HB   VAL  27           HB       VAL  27  10.955   4.187  -3.755
  211   1HG1  VAL  27          HG11      VAL  27  10.257   6.553  -3.415
  212   2HG1  VAL  27          HG12      VAL  27   9.555   5.808  -4.852
  213   3HG1  VAL  27          HG13      VAL  27   8.561   6.011  -3.392
  214   1HG2  VAL  27          HG21      VAL  27  11.086   5.194  -1.567
  215   2HG2  VAL  27          HG22      VAL  27   9.396   4.783  -1.212
  216   3HG2  VAL  27          HG23      VAL  27  10.609   3.500  -1.422
  217    H    HIS  28           H        HIS  28   8.424   2.041  -1.443
  218    HA   HIS  28           HA       HIS  28   5.505   2.673  -1.554
  219   1HB   HIS  28          HB2       HIS  28   6.927   0.385  -0.158
  220   2HB   HIS  28          HB3       HIS  28   5.200   0.562  -0.447
  221    HD1  HIS  28           HD1      HIS  28   4.626   0.536  -3.322
  222    HD2  HIS  28           HD2      HIS  28   8.174  -1.156  -1.819
  223    HE1  HIS  28           HE1      HIS  28   5.463  -1.092  -5.097
  224    H    SER  29           H        SER  29   4.459   3.370   0.385
  225    HA   SER  29           HA       SER  29   5.964   4.946   2.150
  226   1HB   SER  29          HB2       SER  29   3.246   3.770   2.735
  227   2HB   SER  29          HB3       SER  29   3.914   5.266   3.375
  228    HG   SER  29           HG       SER  29   3.481   6.243   1.512
  229    H    ALA  30           H        ALA  30   7.590   3.968   3.320
  230    HA   ALA  30           HA       ALA  30   6.659   2.686   5.747
  231   1HB   ALA  30          HB1       ALA  30   8.762   1.254   4.073
  232   2HB   ALA  30          HB2       ALA  30   8.184   0.780   5.676
  233   3HB   ALA  30          HB3       ALA  30   7.087   0.727   4.296
  234    HA   PRO  31           HA       PRO  31  10.802   5.376   5.903
  235   1HB   PRO  31          HB2       PRO  31   8.731   7.417   6.731
  236   2HB   PRO  31          HB3       PRO  31  10.442   7.688   6.252
  237   1HG   PRO  31          HG2       PRO  31   8.493   7.962   4.388
  238   2HG   PRO  31          HG3       PRO  31   9.972   7.057   3.975
  239   1HD   PRO  31          HD2       PRO  31   7.253   5.993   4.755
  240   2HD   PRO  31          HD3       PRO  31   8.412   5.394   3.530
  241    H    ARG  32           H        ARG  32  11.825   5.091   7.679
  242    HA   ARG  32           HA       ARG  32  12.270   3.765   9.478
  243   1HB   ARG  32          HB2       ARG  32  11.028   6.205  10.770
  244   2HB   ARG  32          HB3       ARG  32  12.204   5.131  11.513
  245   1HG   ARG  32          HG2       ARG  32  12.668   6.976   9.135
  246   2HG   ARG  32          HG3       ARG  32  13.292   7.171  10.763
  247   1HD   ARG  32          HD2       ARG  32  14.066   4.951   8.818
  248   2HD   ARG  32          HD3       ARG  32  15.026   6.377   9.214
  249    HE   ARG  32           HE       ARG  32  14.466   5.098  11.643
  250   1HH1  ARG  32          HH21      ARG  32  16.354   4.407   8.677
  251   2HH1  ARG  32          HH22      ARG  32  17.426   3.325   9.485
  252   1HH2  ARG  32          HH11      ARG  32  15.922   3.662  12.674
  253   2HH2  ARG  32          HH12      ARG  32  17.193   2.911  11.790
  254    H    SER  33           H        SER  33   9.930   2.688   8.438
  255    HA   SER  33           HA       SER  33   8.256   1.305   8.903
  256   1HB   SER  33          HB2       SER  33   9.695   0.838  11.538
  257   2HB   SER  33          HB3       SER  33   8.630  -0.288  10.681
  258    HG   SER  33           HG       SER  33  10.849  -0.728  10.313
  259    H    GLY  34           H        GLY  34   7.751   4.107   9.642
  260   1HA   GLY  34          HA2       GLY  34   5.539   3.691  11.615
  261   2HA   GLY  34          HA3       GLY  34   6.684   5.034  11.757
  262    H    ALA  35           H        ALA  35   5.820   4.080   8.513
  263    HA   ALA  35           HA       ALA  35   4.727   6.629   7.869
  264   1HB   ALA  35          HB1       ALA  35   5.847   5.139   6.242
  265   2HB   ALA  35          HB2       ALA  35   4.500   3.979   6.365
  266   3HB   ALA  35          HB3       ALA  35   4.225   5.598   5.691
  267    HA   PRO  36           HA       PRO  36   0.533   5.950   9.174
  268   1HB   PRO  36          HB2       PRO  36  -0.827   7.911   7.861
  269   2HB   PRO  36          HB3       PRO  36   0.431   8.277   9.078
  270   1HG   PRO  36          HG2       PRO  36   0.751   8.169   6.056
  271   2HG   PRO  36          HG3       PRO  36   1.241   9.488   7.172
  272   1HD   PRO  36          HD2       PRO  36   2.998   7.574   6.343
  273   2HD   PRO  36          HD3       PRO  36   3.058   8.239   8.002
  274    H    ALA  37           H        ALA  37   1.442   5.143   5.969
  275    HA   ALA  37           HA       ALA  37  -1.089   3.793   5.346
  276   1HB   ALA  37          HB1       ALA  37   0.072   6.017   3.593
  277   2HB   ALA  37          HB2       ALA  37  -1.372   5.037   3.241
  278   3HB   ALA  37          HB3       ALA  37  -1.386   6.173   4.598
  279    H    ALA  38           H        ALA  38  -0.660   3.086   2.810
  280    HA   ALA  38           HA       ALA  38   2.108   2.146   2.392
  281   1HB   ALA  38          HB1       ALA  38   0.993   0.279   3.537
  282   2HB   ALA  38          HB2       ALA  38  -0.308   0.306   2.320
  283   3HB   ALA  38          HB3       ALA  38   1.360  -0.098   1.844
  284    H    GLU  39           H        GLU  39   1.421   4.283   1.188
  285    HA   GLU  39           HA       GLU  39   0.080   3.758  -1.381
  286   1HB   GLU  39          HB2       GLU  39   1.428   6.265  -0.271
  287   2HB   GLU  39          HB3       GLU  39   0.558   6.161  -1.797
  288   1HG   GLU  39          HG2       GLU  39  -0.627   5.853   0.989
  289   2HG   GLU  39          HG3       GLU  39  -0.821   7.220  -0.095
  290    H    SER  40           H        SER  40   1.644   5.005  -3.218
  291    HA   SER  40           HA       SER  40   4.441   4.386  -2.854
  292   1HB   SER  40          HB2       SER  40   2.982   3.012  -5.134
  293   2HB   SER  40          HB3       SER  40   4.694   2.876  -4.719
  294    HG   SER  40           HG       SER  40   3.226   2.287  -2.568
  295    H    LYS  41           H        LYS  41   5.724   5.188  -4.648
  296    HA   LYS  41           HA       LYS  41   4.517   6.781  -6.737
  297   1HB   LYS  41          HB2       LYS  41   5.638   8.905  -6.202
  298   2HB   LYS  41          HB3       LYS  41   4.419   8.465  -5.038
  299   1HG   LYS  41          HG2       LYS  41   6.018   9.302  -3.673
  300   2HG   LYS  41          HG3       LYS  41   6.335   7.579  -3.561
  301   1HD   LYS  41          HD2       LYS  41   8.425   8.440  -3.609
  302   2HD   LYS  41          HD3       LYS  41   8.233   8.047  -5.311
  303   1HE   LYS  41          HE2       LYS  41   7.819  10.809  -4.034
  304   2HE   LYS  41          HE3       LYS  41   9.325  10.265  -4.769
  305   1HZ   LYS  41          HZ1       LYS  41   8.101   9.981  -6.875
  306   2HZ   LYS  41          HZ2       LYS  41   6.770  10.691  -6.184
  307   3HZ   LYS  41          HZ3       LYS  41   8.163  11.519  -6.411
  308    H    GLU  42           H        GLU  42   6.349   7.677  -8.171
  309    HA   GLU  42           HA       GLU  42   8.577   5.694  -8.171
  310   1HB   GLU  42          HB2       GLU  42   7.363   7.318 -10.450
  311   2HB   GLU  42          HB3       GLU  42   8.779   6.283 -10.568
  312   1HG   GLU  42          HG2       GLU  42   6.997   5.047 -11.465
  313   2HG   GLU  42          HG3       GLU  42   7.420   4.316  -9.917
  314    H    ILE  43           H        ILE  43  10.690   6.488  -8.775
  315    HA   ILE  43           HA       ILE  43  11.103   9.412  -8.788
  316    HB   ILE  43           HB       ILE  43  13.083   9.139  -7.338
  317   1HG1  ILE  43          HG12      ILE  43  12.026   6.372  -6.636
  318   2HG1  ILE  43          HG13      ILE  43  13.427   6.676  -7.669
  319   1HG2  ILE  43          HG21      ILE  43  10.559   8.242  -5.912
  320   2HG2  ILE  43          HG22      ILE  43  11.895   9.200  -5.238
  321   3HG2  ILE  43          HG23      ILE  43  10.857   9.903  -6.481
  322   1HD1  ILE  43          HD11      ILE  43  14.167   6.107  -5.446
  323   2HD1  ILE  43          HD12      ILE  43  14.586   7.797  -5.783
  324   3HD1  ILE  43          HD13      ILE  43  13.210   7.404  -4.721
  325    H    VAL  44           H        VAL  44  13.073  10.007  -9.824
  326    HA   VAL  44           HA       VAL  44  14.002   7.987 -11.832
  327    HB   VAL  44           HB       VAL  44  13.747  11.013 -12.074
  328   1HG1  VAL  44          HG11      VAL  44  15.430  10.019 -13.607
  329   2HG1  VAL  44          HG12      VAL  44  14.186   8.907 -14.223
  330   3HG1  VAL  44          HG13      VAL  44  14.034  10.652 -14.483
  331   1HG2  VAL  44          HG21      VAL  44  11.475  10.094 -11.915
  332   2HG2  VAL  44          HG22      VAL  44  11.822  10.638 -13.556
  333   3HG2  VAL  44          HG23      VAL  44  11.863   8.902 -13.177
  334    H    ARG  45           H        ARG  45  16.169   7.521 -11.699
  335    HA   ARG  45           HA       ARG  45  18.056   9.583 -10.701
  336   1HB   ARG  45          HB2       ARG  45  17.969   6.667  -9.784
  337   2HB   ARG  45          HB3       ARG  45  19.315   7.754  -9.485
  338   1HG   ARG  45          HG2       ARG  45  16.502   8.031  -8.364
  339   2HG   ARG  45          HG3       ARG  45  17.922   7.501  -7.497
  340   1HD   ARG  45          HD2       ARG  45  18.440   9.557  -6.886
  341   2HD   ARG  45          HD3       ARG  45  18.629  10.026  -8.570
  342    HE   ARG  45           HE       ARG  45  16.388  10.688  -8.705
  343   1HH1  ARG  45          HH22      ARG  45  17.268   9.903  -5.346
  344   2HH1  ARG  45          HH21      ARG  45  15.755  10.411  -4.691
  345   1HH2  ARG  45          HH11      ARG  45  14.383  11.330  -7.836
  346   2HH2  ARG  45          HH12      ARG  45  14.092  11.267  -6.139
  347    H    GLY  46           H        GLY  46  20.137   9.401 -11.703
  348   1HA   GLY  46          HA2       GLY  46  21.040   7.149 -13.122
  349   2HA   GLY  46          HA3       GLY  46  20.280   8.242 -14.288
  350    H    TYR  47           H        TYR  47  23.174   7.423 -13.616
  351    HA   TYR  47           HA       TYR  47  24.362  10.112 -13.737
  352   1HB   TYR  47          HB2       TYR  47  25.222   8.158 -11.575
  353   2HB   TYR  47          HB3       TYR  47  25.743   9.818 -11.786
  354    HD1  TYR  47           HD1      TYR  47  23.120   7.579 -10.529
  355    HD2  TYR  47           HD2      TYR  47  24.307  11.699 -10.984
  356    HE1  TYR  47           HE1      TYR  47  21.472   8.238  -8.797
  357    HE2  TYR  47           HE2      TYR  47  22.652  12.371  -9.270
  358    HH   TYR  47           HH       TYR  47  21.065  11.653  -7.742
  359    H    LYS  48           H        LYS  48  26.627   9.961 -14.398
  360    HA   LYS  48           HA       LYS  48  27.180   7.854 -16.205
  361   1HB   LYS  48          HB2       LYS  48  28.097  10.190 -16.262
  362   2HB   LYS  48          HB3       LYS  48  29.173   9.771 -14.919
  363   1HG   LYS  48          HG2       LYS  48  30.260   8.043 -16.319
  364   2HG   LYS  48          HG3       LYS  48  29.116   8.375 -17.638
  365   1HD   LYS  48          HD2       LYS  48  29.983  10.695 -17.801
  366   2HD   LYS  48          HD3       LYS  48  31.121  10.363 -16.476
  367   1HE   LYS  48          HE2       LYS  48  32.157   8.549 -17.831
  368   2HE   LYS  48          HE3       LYS  48  31.030   8.890 -19.150
  369   1HZ   LYS  48          HZ1       LYS  48  32.015  11.102 -19.332
  370   2HZ   LYS  48          HZ2       LYS  48  33.056  10.787 -18.111
  371   3HZ   LYS  48          HZ3       LYS  48  33.161   9.959 -19.509
  372    H    TRP  49           H        TRP  49  28.071   8.190 -12.743
  373    HA   TRP  49           HA       TRP  49  29.987   6.095 -12.778
  374   1HB   TRP  49          HB2       TRP  49  29.621   6.011 -10.306
  375   2HB   TRP  49          HB3       TRP  49  30.125   7.537 -10.986
  376    HD1  TRP  49           HD1      TRP  49  28.896   9.594 -10.224
  377    HE1  TRP  49           HE1      TRP  49  26.835  10.123  -8.825
  378    HE3  TRP  49           HE3      TRP  49  26.940   4.865  -9.832
  379    HZ2  TRP  49           HZ2      TRP  49  24.590   8.679  -7.675
  380    HZ3  TRP  49           HZ3      TRP  49  24.784   4.507  -8.712
  381    HH2  TRP  49           HH2      TRP  49  23.570   6.405  -7.644
  382    H    ALA  50           H        ALA  50  26.431   5.904 -12.709
  383    HA   ALA  50           HA       ALA  50  26.543   3.034 -12.078
  384   1HB   ALA  50          HB1       ALA  50  24.145   3.070 -12.424
  385   2HB   ALA  50          HB2       ALA  50  24.200   4.812 -12.817
  386   3HB   ALA  50          HB3       ALA  50  24.665   4.224 -11.193
  387    H    GLU  51           H        GLU  51  28.091   2.667 -13.826
  388    HA   GLU  51           HA       GLU  51  27.348   2.916 -16.563
  389   1HB   GLU  51          HB2       GLU  51  29.289   1.117 -15.055
  390   2HB   GLU  51          HB3       GLU  51  29.106   0.973 -16.797
  391   1HG   GLU  51          HG2       GLU  51  29.856   3.571 -15.400
  392   2HG   GLU  51          HG3       GLU  51  31.013   2.399 -16.019
  393    H    TYR  52           H        TYR  52  25.918   0.944 -14.176
  394    HA   TYR  52           HA       TYR  52  24.460  -0.519 -16.241
  395   1HB   TYR  52          HB2       TYR  52  24.469  -2.526 -14.562
  396   2HB   TYR  52          HB3       TYR  52  25.699  -2.342 -15.793
  397    HD1  TYR  52           HD1      TYR  52  27.933  -1.386 -15.220
  398    HD2  TYR  52           HD2      TYR  52  25.112  -2.618 -12.221
  399    HE1  TYR  52           HE1      TYR  52  29.784  -1.524 -13.550
  400    HE2  TYR  52           HE2      TYR  52  26.927  -2.772 -10.544
  401    HH   TYR  52           HH       TYR  52  29.209  -2.507 -10.136
  402    H    HIS  53           H        HIS  53  22.315  -0.656 -15.710
  403    HA   HIS  53           HA       HIS  53  21.256   1.264 -13.974
  404   1HB   HIS  53          HB2       HIS  53  19.690  -1.148 -14.938
  405   2HB   HIS  53          HB3       HIS  53  19.108   0.487 -14.648
  406    HD1  HIS  53           HD1      HIS  53  19.325   2.181 -16.759
  407    HD2  HIS  53           HD2      HIS  53  21.181  -1.587 -17.185
  408    HE1  HIS  53           HE1      HIS  53  20.116   2.005 -19.185
  409    H    ALA  54           H        ALA  54  21.918  -2.172 -13.393
  410    HA   ALA  54           HA       ALA  54  20.468  -2.488 -10.980
  411   1HB   ALA  54          HB1       ALA  54  21.478  -4.368 -12.213
  412   2HB   ALA  54          HB2       ALA  54  23.108  -3.769 -11.815
  413   3HB   ALA  54          HB3       ALA  54  22.027  -4.336 -10.528
  414    H    ASP  55           H        ASP  55  23.499  -0.711 -11.608
  415    HA   ASP  55           HA       ASP  55  24.443  -0.754  -8.899
  416   1HB   ASP  55          HB2       ASP  55  25.767  -0.060 -11.022
  417   2HB   ASP  55          HB3       ASP  55  24.940   1.469 -10.910
  418    H    ILE  56           H        ILE  56  22.488   1.617 -10.784
  419    HA   ILE  56           HA       ILE  56  22.079   3.325  -8.494
  420    HB   ILE  56           HB       ILE  56  19.979   3.996 -10.070
  421   1HG1  ILE  56          HG12      ILE  56  21.960   2.801 -12.020
  422   2HG1  ILE  56          HG13      ILE  56  20.206   2.593 -11.898
  423   1HG2  ILE  56          HG21      ILE  56  22.787   5.059 -10.322
  424   2HG2  ILE  56          HG22      ILE  56  21.271   5.919 -10.693
  425   3HG2  ILE  56          HG23      ILE  56  21.610   5.436  -9.041
  426   1HD1  ILE  56          HD11      ILE  56  20.744   3.916 -13.820
  427   2HD1  ILE  56          HD12      ILE  56  19.990   4.998 -12.624
  428   3HD1  ILE  56          HD13      ILE  56  21.755   5.016 -12.871
  429    H    TYR  57           H        TYR  57  20.145   0.602  -9.955
  430    HA   TYR  57           HA       TYR  57  17.926   1.052  -8.257
  431   1HB   TYR  57          HB2       TYR  57  17.748  -0.546 -10.068
  432   2HB   TYR  57          HB3       TYR  57  19.010  -1.559  -9.364
  433    HD1  TYR  57           HD1      TYR  57  15.825   0.076  -8.102
  434    HD2  TYR  57           HD2      TYR  57  18.222  -3.508  -8.323
  435    HE1  TYR  57           HE1      TYR  57  14.242  -1.058  -6.614
  436    HE2  TYR  57           HE2      TYR  57  16.598  -4.682  -6.873
  437    HH   TYR  57           HH       TYR  57  13.739  -3.065  -5.430
  438    H    ASP  58           H        ASP  58  20.904  -0.927  -7.626
  439    HA   ASP  58           HA       ASP  58  20.113  -1.719  -5.017
  440   1HB   ASP  58          HB2       ASP  58  21.877  -2.869  -6.238
  441   2HB   ASP  58          HB3       ASP  58  22.875  -1.410  -6.249
  442    H    LYS  59           H        LYS  59  22.239   1.007  -6.091
  443    HA   LYS  59           HA       LYS  59  22.876   1.971  -3.502
  444   1HB   LYS  59          HB2       LYS  59  24.125   2.578  -5.434
  445   2HB   LYS  59          HB3       LYS  59  22.733   3.326  -6.219
  446   1HG   LYS  59          HG2       LYS  59  22.848   5.258  -4.996
  447   2HG   LYS  59          HG3       LYS  59  23.503   4.459  -3.545
  448   1HD   LYS  59          HD2       LYS  59  25.683   4.242  -4.511
  449   2HD   LYS  59          HD3       LYS  59  25.110   4.780  -6.098
  450   1HE   LYS  59          HE2       LYS  59  24.508   7.006  -5.071
  451   2HE   LYS  59          HE3       LYS  59  25.232   6.462  -3.553
  452   1HZ   LYS  59          HZ1       LYS  59  26.663   6.756  -6.133
  453   2HZ   LYS  59          HZ2       LYS  59  26.784   7.768  -4.857
  454   3HZ   LYS  59          HZ3       LYS  59  27.350   6.246  -4.734
  455    H    VAL  60           H        VAL  60  20.228   2.967  -5.735
  456    HA   VAL  60           HA       VAL  60  19.264   5.000  -3.965
  457    HB   VAL  60           HB       VAL  60  17.946   3.684  -6.349
  458   1HG1  VAL  60          HG11      VAL  60  17.303   6.274  -4.843
  459   2HG1  VAL  60          HG12      VAL  60  16.503   5.702  -6.333
  460   3HG1  VAL  60          HG13      VAL  60  16.319   4.817  -4.805
  461   1HG2  VAL  60          HG21      VAL  60  20.184   4.928  -6.740
  462   2HG2  VAL  60          HG22      VAL  60  18.792   5.517  -7.618
  463   3HG2  VAL  60          HG23      VAL  60  19.378   6.375  -6.153
  464    H    SER  61           H        SER  61  18.192   1.556  -4.584
  465    HA   SER  61           HA       SER  61  16.077   1.714  -2.676
  466   1HB   SER  61          HB2       SER  61  17.703  -0.732  -3.462
  467   2HB   SER  61          HB3       SER  61  16.103  -0.709  -2.687
  468    HG   SER  61           HG       SER  61  16.880  -0.002  -5.280
  469    H    GLY  62           H        GLY  62  19.601   1.237  -2.255
  470   1HA   GLY  62          HA2       GLY  62  19.567   0.466   0.487
  471   2HA   GLY  62          HA3       GLY  62  20.868   1.322  -0.368
  472    H    ASP  63           H        ASP  63  19.780   3.751  -1.071
  473    HA   ASP  63           HA       ASP  63  19.743   5.176   1.387
  474   1HB   ASP  63          HB2       ASP  63  20.424   6.176  -0.783
  475   2HB   ASP  63          HB3       ASP  63  18.737   6.159  -1.307
  476    H    MET  64           H        MET  64  17.026   4.368  -0.885
  477    HA   MET  64           HA       MET  64  14.966   5.467   0.697
  478   1HB   MET  64          HB2       MET  64  14.885   2.957  -1.033
  479   2HB   MET  64          HB3       MET  64  13.493   3.864  -0.475
  480   1HG   MET  64          HG2       MET  64  15.558   5.033  -2.351
  481   2HG   MET  64          HG3       MET  64  14.020   4.337  -2.815
  482   1HE   MET  64          HE1       MET  64  14.852   8.517  -1.283
  483   2HE   MET  64          HE2       MET  64  15.726   7.118  -0.635
  484   3HE   MET  64          HE3       MET  64  15.817   7.497  -2.377
  485    H    GLN  65           H        GLN  65  16.412   2.131   0.976
  486    HA   GLN  65           HA       GLN  65  14.644   1.371   3.080
  487   1HB   GLN  65          HB2       GLN  65  17.294   0.392   2.007
  488   2HB   GLN  65          HB3       GLN  65  16.639  -0.321   3.484
  489   1HG   GLN  65          HG2       GLN  65  14.645  -1.073   2.373
  490   2HG   GLN  65          HG3       GLN  65  15.055  -0.201   0.889
  491   1HE2  GLN  65          HE22      GLN  65  17.226  -0.827  -0.091
  492   2HE2  GLN  65          HE21      GLN  65  17.643  -2.541  -0.110
  493    H    LYS  66           H        LYS  66  17.796   3.110   3.140
  494    HA   LYS  66           HA       LYS  66  18.092   3.073   6.000
  495   1HB   LYS  66          HB2       LYS  66  19.921   3.660   4.555
  496   2HB   LYS  66          HB3       LYS  66  18.987   4.919   3.779
  497   1HG   LYS  66          HG2       LYS  66  18.988   6.192   5.997
  498   2HG   LYS  66          HG3       LYS  66  20.101   4.951   6.600
  499   1HD   LYS  66          HD2       LYS  66  21.429   6.809   5.821
  500   2HD   LYS  66          HD3       LYS  66  21.620   5.487   4.648
  501   1HE   LYS  66          HE2       LYS  66  19.866   6.576   3.205
  502   2HE   LYS  66          HE3       LYS  66  19.758   7.904   4.357
  503   1HZ   LYS  66          HZ1       LYS  66  22.270   7.187   2.965
  504   2HZ   LYS  66          HZ2       LYS  66  21.169   8.224   2.351
  505   3HZ   LYS  66          HZ3       LYS  66  21.940   8.577   3.771
  506    H    GLN  67           H        GLN  67  16.320   5.307   3.740
  507    HA   GLN  67           HA       GLN  67  15.218   6.905   5.863
  508   1HB   GLN  67          HB2       GLN  67  14.054   6.375   3.094
  509   2HB   GLN  67          HB3       GLN  67  13.535   7.610   4.241
  510   1HG   GLN  67          HG2       GLN  67  15.917   8.540   4.175
  511   2HG   GLN  67          HG3       GLN  67  16.239   7.413   2.861
  512   1HE2  GLN  67          HE22      GLN  67  16.506   8.761   1.064
  513   2HE2  GLN  67          HE21      GLN  67  15.319   9.968   0.607
  514    H    GLY  68           H        GLY  68  14.315   3.776   4.531
  515   1HA   GLY  68          HA2       GLY  68  13.555   2.282   6.408
  516   2HA   GLY  68          HA3       GLY  68  12.229   3.418   6.641
  517    H    CYS  69           H        CYS  69  12.693   3.461   3.403
  518    HA   CYS  69           HA       CYS  69  10.117   2.332   2.908
  519   1HB   CYS  69          HB2       CYS  69  12.306   3.354   1.091
  520   2HB   CYS  69          HB3       CYS  69  10.620   3.122   0.630
  521    HG   CYS  69           HG       CYS  69  11.125   5.678   0.912
  522    H    ASP  70           H        ASP  70   9.950   1.104   0.680
  523    HA   ASP  70           HA       ASP  70  11.976  -0.994   0.266
  524   1HB   ASP  70          HB2       ASP  70  10.222  -2.117   1.576
  525   2HB   ASP  70          HB3       ASP  70   8.976  -1.474   0.496
  526    H    CYS  71           H        CYS  71  11.916  -1.644  -2.077
  527    HA   CYS  71           HA       CYS  71  10.490   0.265  -3.820
  528   1HB   CYS  71          HB2       CYS  71  13.542   0.059  -3.822
  529   2HB   CYS  71          HB3       CYS  71  12.525   1.171  -4.743
  530    HG   CYS  71           HG       CYS  71  11.409   1.885  -2.219
  531    H    GLU  72           H        GLU  72  10.946  -0.081  -6.173
  532    HA   GLU  72           HA       GLU  72  12.168  -2.641  -6.958
  533   1HB   GLU  72          HB2       GLU  72   9.907  -3.317  -6.381
  534   2HB   GLU  72          HB3       GLU  72   9.208  -1.962  -7.281
  535   1HG   GLU  72          HG2       GLU  72   9.955  -2.866  -9.381
  536   2HG   GLU  72          HG3       GLU  72  10.929  -4.102  -8.575
  537    H    CYS  73           H        CYS  73  13.261  -2.231  -8.889
  538    HA   CYS  73           HA       CYS  73  12.930   0.256 -10.348
  539   1HB   CYS  73          HB2       CYS  73  14.382  -1.051 -12.043
  540   2HB   CYS  73          HB3       CYS  73  15.109  -0.608 -10.502
  541    HG   CYS  73           HG       CYS  73  15.803  -3.062 -11.400
  542    H    LEU  74           H        LEU  74  11.211   0.649 -11.636
  543    HA   LEU  74           HA       LEU  74   9.410  -1.476 -12.541
  544   1HB   LEU  74          HB2       LEU  74   9.608   1.485 -13.268
  545   2HB   LEU  74          HB3       LEU  74   8.336   0.388 -13.793
  546    HG   LEU  74           HG       LEU  74   8.884   1.283 -10.935
  547   1HD1  LEU  74          HD11      LEU  74   6.531   1.763 -12.816
  548   2HD1  LEU  74          HD12      LEU  74   6.670   2.343 -11.145
  549   3HD1  LEU  74          HD13      LEU  74   7.784   2.946 -12.385
  550   1HD2  LEU  74          HD21      LEU  74   6.765   0.050 -10.365
  551   2HD2  LEU  74          HD22      LEU  74   6.808  -0.700 -11.973
  552   3HD2  LEU  74          HD23      LEU  74   8.100  -1.017 -10.789
  553    H    GLY  75           H        GLY  75  12.202   0.302 -13.759
  554   1HA   GLY  75          HA2       GLY  75  13.098  -1.496 -15.627
  555   2HA   GLY  75          HA3       GLY  75  11.988  -0.442 -16.522
  556    H    GLY  76           H        GLY  76  14.069   0.244 -17.618
  557   1HA   GLY  76          HA2       GLY  76  14.732   2.844 -16.635
  558   2HA   GLY  76          HA3       GLY  76  16.118   1.756 -16.451
  559    H    GLY  77           H        GLY  77  17.087   3.265 -18.040
  560   1HA   GLY  77          HA2       GLY  77  17.091   2.311 -20.731
  561   2HA   GLY  77          HA3       GLY  77  16.117   3.785 -20.604
  562    H    ARG  78           H        ARG  78  17.836   4.772 -21.959
  563    HA   ARG  78           HA       ARG  78  20.238   5.541 -20.377
  564   1HB   ARG  78          HB2       ARG  78  20.725   3.812 -22.110
  565   2HB   ARG  78          HB3       ARG  78  20.148   4.928 -23.362
  566   1HG   ARG  78          HG2       ARG  78  21.981   6.482 -22.854
  567   2HG   ARG  78          HG3       ARG  78  22.418   5.533 -21.431
  568   1HD   ARG  78          HD2       ARG  78  24.010   5.060 -23.139
  569   2HD   ARG  78          HD3       ARG  78  23.033   3.619 -22.864
  570    HE   ARG  78           HE       ARG  78  22.638   5.572 -25.106
  571   1HH1  ARG  78          HH21      ARG  78  22.638   2.150 -24.060
  572   2HH1  ARG  78          HH22      ARG  78  22.135   1.570 -25.625
  573   1HH2  ARG  78          HH11      ARG  78  22.027   4.786 -27.085
  574   2HH2  ARG  78          HH12      ARG  78  21.852   3.063 -27.379
  575    H    ILE  79           H        ILE  79  21.086   7.639 -20.978
  576    HA   ILE  79           HA       ILE  79  19.128   9.476 -22.210
  577    HB   ILE  79           HB       ILE  79  20.567   9.795 -19.534
  578   1HG1  ILE  79          HG12      ILE  79  17.615   9.595 -20.284
  579   2HG1  ILE  79          HG13      ILE  79  18.549   8.432 -19.346
  580   1HG2  ILE  79          HG21      ILE  79  19.580  12.048 -19.419
  581   2HG2  ILE  79          HG22      ILE  79  20.586  11.922 -20.849
  582   3HG2  ILE  79          HG23      ILE  79  18.815  11.823 -21.004
  583   1HD1  ILE  79          HD11      ILE  79  17.137   9.638 -17.843
  584   2HD1  ILE  79          HD12      ILE  79  18.810  10.136 -17.533
  585   3HD1  ILE  79          HD13      ILE  79  17.703  11.203 -18.435
  586    H    SER  80           H        SER  80  20.152  10.688 -23.732
  587    HA   SER  80           HA       SER  80  23.072  11.061 -23.683
  588   1HB   SER  80          HB2       SER  80  21.760   9.639 -26.037
  589   2HB   SER  80          HB3       SER  80  23.480   9.931 -25.761
  590    HG   SER  80           HG       SER  80  22.909   8.600 -23.710
  591    H    HIS  81           H        HIS  81  23.002  13.280 -23.891
  592    HA   HIS  81           HA       HIS  81  22.091  14.364 -26.385
  593   1HB   HIS  81          HB2       HIS  81  19.995  14.197 -24.639
  594   2HB   HIS  81          HB3       HIS  81  20.709  15.708 -24.084
  595    HD1  HIS  81           HD1      HIS  81  19.688  17.777 -25.422
  596    HD2  HIS  81           HD2      HIS  81  19.628  14.094 -27.492
  597    HE1  HIS  81           HE1      HIS  81  18.639  18.233 -27.677
  598    H    GLN  82           H        GLN  82  22.204  16.930 -26.123
  599    HA   GLN  82           HA       GLN  82  24.402  17.677 -24.259
  600   1HB   GLN  82          HB2       GLN  82  24.006  18.666 -27.115
  601   2HB   GLN  82          HB3       GLN  82  25.062  19.400 -25.909
  602   1HG   GLN  82          HG2       GLN  82  26.493  18.073 -27.218
  603   2HG   GLN  82          HG3       GLN  82  26.287  17.195 -25.711
  604   1HE2  GLN  82          HE22      GLN  82  26.000  14.988 -26.033
  605   2HE2  GLN  82          HE21      GLN  82  25.328  14.263 -27.473
  606    H    SER  83           H        SER  83  22.900  18.246 -22.701
  607    HA   SER  83           HA       SER  83  20.679  20.014 -23.052
  608   1HB   SER  83          HB2       SER  83  22.319  19.924 -20.541
  609   2HB   SER  83          HB3       SER  83  20.561  19.941 -20.739
  610    HG   SER  83           HG       SER  83  21.508  17.949 -19.987
  611    H    GLN  84           H        GLN  84  24.180  20.411 -22.752
  612    HA   GLN  84           HA       GLN  84  24.394  23.189 -22.343
  613   1HB   GLN  84          HB2       GLN  84  26.035  21.260 -24.037
  614   2HB   GLN  84          HB3       GLN  84  26.483  22.952 -23.799
  615   1HG   GLN  84          HG2       GLN  84  26.618  22.628 -21.367
  616   2HG   GLN  84          HG3       GLN  84  26.128  20.947 -21.537
  617   1HE2  GLN  84          HE22      GLN  84  27.785  19.408 -21.798
  618   2HE2  GLN  84          HE21      GLN  84  29.432  19.827 -22.237
  619    H    ASP  85           H        ASP  85  23.254  21.459 -25.251
  620    HA   ASP  85           HA       ASP  85  23.126  24.008 -26.777
  621   1HB   ASP  85          HB2       ASP  85  23.825  22.098 -28.089
  622   2HB   ASP  85          HB3       ASP  85  22.428  21.159 -27.567
  623    H    LYS  86           H        LYS  86  20.766  21.312 -26.219
  624    HA   LYS  86           HA       LYS  86  18.913  22.974 -24.743
  625   1HB   LYS  86          HB2       LYS  86  18.311  22.075 -27.606
  626   2HB   LYS  86          HB3       LYS  86  17.031  22.393 -26.463
  627   1HG   LYS  86          HG2       LYS  86  18.976  24.556 -27.370
  628   2HG   LYS  86          HG3       LYS  86  17.502  24.137 -28.189
  629   1HD   LYS  86          HD2       LYS  86  16.948  26.009 -26.911
  630   2HD   LYS  86          HD3       LYS  86  16.167  24.636 -26.160
  631   1HE   LYS  86          HE2       LYS  86  16.976  26.125 -24.462
  632   2HE   LYS  86          HE3       LYS  86  17.896  24.629 -24.365
  633   1HZ   LYS  86          HZ1       LYS  86  18.848  27.113 -25.687
  634   2HZ   LYS  86          HZ2       LYS  86  19.278  26.631 -24.189
  635   3HZ   LYS  86          HZ3       LYS  86  19.724  25.732 -25.475
  636    H    LYS  87           H        LYS  87  17.479  21.659 -23.692
  637    HA   LYS  87           HA       LYS  87  16.633  19.871 -22.668
  638   1HB   LYS  87          HB2       LYS  87  15.081  18.644 -23.972
  639   2HB   LYS  87          HB3       LYS  87  15.167  20.265 -24.640
  640   1HG   LYS  87          HG2       LYS  87  16.455  19.487 -26.519
  641   2HG   LYS  87          HG3       LYS  87  16.673  17.881 -25.770
  642   1HD   LYS  87          HD2       LYS  87  14.260  17.460 -25.928
  643   2HD   LYS  87          HD3       LYS  87  14.024  19.049 -26.700
  644   1HE   LYS  87          HE2       LYS  87  15.502  18.385 -28.564
  645   2HE   LYS  87          HE3       LYS  87  15.856  16.846 -27.764
  646   1HZ   LYS  87          HZ1       LYS  87  14.182  16.565 -29.462
  647   2HZ   LYS  87          HZ2       LYS  87  13.539  16.244 -27.988
  648   3HZ   LYS  87          HZ3       LYS  87  13.191  17.658 -28.761
  649    H    ILE  88           H        ILE  88  16.186  17.347 -22.828
  650    HA   ILE  88           HA       ILE  88  18.651  15.923 -23.475
  651    HB   ILE  88           HB       ILE  88  17.467  14.846 -21.010
  652   1HG1  ILE  88          HG12      ILE  88  18.905  17.520 -20.713
  653   2HG1  ILE  88          HG13      ILE  88  17.197  17.255 -20.394
  654   1HG2  ILE  88          HG21      ILE  88  19.805  14.506 -20.437
  655   2HG2  ILE  88          HG22      ILE  88  19.589  14.103 -22.134
  656   3HG2  ILE  88          HG23      ILE  88  20.324  15.656 -21.682
  657   1HD1  ILE  88          HD11      ILE  88  18.325  17.261 -18.299
  658   2HD1  ILE  88          HD12      ILE  88  17.793  15.598 -18.619
  659   3HD1  ILE  88          HD13      ILE  88  19.504  16.056 -18.831
  660    H    HIS  89           H        HIS  89  18.046  13.369 -23.307
  661    HA   HIS  89           HA       HIS  89  15.279  13.002 -24.258
  662   1HB   HIS  89          HB2       HIS  89  16.816  13.556 -26.205
  663   2HB   HIS  89          HB3       HIS  89  17.703  12.076 -25.846
  664    HD1  HIS  89           HD1      HIS  89  15.962   9.747 -25.986
  665    HD2  HIS  89           HD2      HIS  89  14.862  13.339 -27.883
  666    HE1  HIS  89           HE1      HIS  89  14.159   9.148 -27.670
  667    H    VAL  90           H        VAL  90  14.483  10.991 -23.723
  668    HA   VAL  90           HA       VAL  90  16.286   9.141 -22.214
  669    HB   VAL  90           HB       VAL  90  13.299   9.601 -21.815
  670   1HG1  VAL  90          HG11      VAL  90  14.252   7.455 -20.972
  671   2HG1  VAL  90          HG12      VAL  90  15.396   8.366 -19.971
  672   3HG1  VAL  90          HG13      VAL  90  13.649   8.488 -19.666
  673   1HG2  VAL  90          HG21      VAL  90  15.573  10.924 -20.273
  674   2HG2  VAL  90          HG22      VAL  90  14.316  11.737 -21.236
  675   3HG2  VAL  90          HG23      VAL  90  13.873  10.890 -19.756
  676    H    TYR  91           H        TYR  91  16.305   6.986 -23.013
  677    HA   TYR  91           HA       TYR  91  14.198   6.041 -24.799
  678   1HB   TYR  91          HB2       TYR  91  15.461   6.009 -26.810
  679   2HB   TYR  91          HB3       TYR  91  15.484   7.644 -26.237
  680    HD1  TYR  91           HD1      TYR  91  17.435   5.243 -27.757
  681    HD2  TYR  91           HD2      TYR  91  17.683   8.137 -24.559
  682    HE1  TYR  91           HE1      TYR  91  19.892   5.270 -27.967
  683    HE2  TYR  91           HE2      TYR  91  20.114   8.103 -24.701
  684    HH   TYR  91           HH       TYR  91  21.951   7.394 -25.882
  685    H    GLY  92           H        GLY  92  15.182   3.959 -25.994
  686   1HA   GLY  92          HA2       GLY  92  16.199   1.906 -25.859
  687   2HA   GLY  92          HA3       GLY  92  17.315   2.568 -24.657
  688    H    TYR  93           H        TYR  93  17.151   0.558 -23.534
  689    HA   TYR  93           HA       TYR  93  14.915   0.381 -21.652
  690   1HB   TYR  93          HB2       TYR  93  14.727  -2.048 -22.017
  691   2HB   TYR  93          HB3       TYR  93  14.231  -1.153 -23.440
  692    HD1  TYR  93           HD1      TYR  93  15.737  -1.104 -25.479
  693    HD2  TYR  93           HD2      TYR  93  16.546  -3.625 -22.067
  694    HE1  TYR  93           HE1      TYR  93  17.280  -2.456 -26.849
  695    HE2  TYR  93           HE2      TYR  93  18.081  -4.991 -23.433
  696    HH   TYR  93           HH       TYR  93  19.046  -5.305 -25.535
  697    H    SER  94           H        SER  94  15.623  -0.777 -19.679
  698    HA   SER  94           HA       SER  94  18.445  -0.413 -19.240
  699   1HB   SER  94          HB2       SER  94  18.087  -1.355 -17.016
  700   2HB   SER  94          HB3       SER  94  16.970  -0.049 -17.377
  701    HG   SER  94           HG       SER  94  15.362  -1.681 -17.791
  702    H    MET  95           H        MET  95  20.072  -1.806 -19.408
  703    HA   MET  95           HA       MET  95  19.720  -4.441 -20.562
  704   1HB   MET  95          HB2       MET  95  22.191  -3.053 -19.423
  705   2HB   MET  95          HB3       MET  95  22.194  -4.512 -20.424
  706   1HG   MET  95          HG2       MET  95  21.223  -1.764 -21.295
  707   2HG   MET  95          HG3       MET  95  22.758  -2.503 -21.724
  708   1HE   MET  95          HE1       MET  95  20.414  -2.304 -24.995
  709   2HE   MET  95          HE2       MET  95  20.216  -1.261 -23.571
  710   3HE   MET  95          HE3       MET  95  21.844  -1.609 -24.199
  711    H    ALA  96           H        ALA  96  18.297  -4.223 -18.102
  712    HA   ALA  96           HA       ALA  96  19.434  -6.370 -16.496
  713   1HB   ALA  96          HB1       ALA  96  19.358  -5.085 -14.374
  714   2HB   ALA  96          HB2       ALA  96  20.571  -4.424 -15.485
  715   3HB   ALA  96          HB3       ALA  96  19.008  -3.599 -15.279
  716    H    TYR  97           H        TYR  97  16.834  -3.834 -16.823
  717    HA   TYR  97           HA       TYR  97  14.892  -5.813 -15.737
  718   1HB   TYR  97          HB2       TYR  97  14.925  -2.834 -15.189
  719   2HB   TYR  97          HB3       TYR  97  13.934  -4.056 -14.414
  720    HD1  TYR  97           HD1      TYR  97  15.394  -6.045 -13.257
  721    HD2  TYR  97           HD2      TYR  97  16.750  -2.011 -13.973
  722    HE1  TYR  97           HE1      TYR  97  17.101  -6.316 -11.489
  723    HE2  TYR  97           HE2      TYR  97  18.446  -2.262 -12.183
  724    HH   TYR  97           HH       TYR  97  18.846  -5.327 -10.333
  725    H    GLY  98           H        GLY  98  15.596  -4.149 -18.558
  726   1HA   GLY  98          HA2       GLY  98  14.258  -4.069 -20.460
  727   2HA   GLY  98          HA3       GLY  98  12.825  -4.429 -19.494
  728    HA   PRO  99           HA       PRO  99  13.051   0.112 -20.607
  729   1HB   PRO  99          HB2       PRO  99  10.688   0.383 -21.968
  730   2HB   PRO  99          HB3       PRO  99  12.199  -0.178 -22.737
  731   1HG   PRO  99          HG2       PRO  99   9.893  -1.849 -21.707
  732   2HG   PRO  99          HG3       PRO  99  10.780  -2.014 -23.254
  733   1HD   PRO  99          HD2       PRO  99  11.320  -3.555 -21.045
  734   2HD   PRO  99          HD3       PRO  99  12.591  -3.077 -22.207
  735    H    ALA 100           H        ALA 100  12.317   1.629 -19.239
  736    HA   ALA 100           HA       ALA 100  10.262   1.054 -17.218
  737   1HB   ALA 100          HB1       ALA 100  11.719   3.594 -18.048
  738   2HB   ALA 100          HB2       ALA 100  10.751   3.422 -16.582
  739   3HB   ALA 100          HB3       ALA 100  12.256   2.522 -16.741
  740    H    GLN 101           H        GLN 101   8.547   2.816 -16.955
  741    HA   GLN 101           HA       GLN 101   7.089   3.385 -19.457
  742   1HB   GLN 101          HB2       GLN 101   6.580   3.963 -16.499
  743   2HB   GLN 101          HB3       GLN 101   5.595   4.656 -17.799
  744   1HG   GLN 101          HG2       GLN 101   4.913   2.487 -18.574
  745   2HG   GLN 101          HG3       GLN 101   5.982   1.670 -17.419
  746   1HE2  GLN 101          HE22      GLN 101   3.040   3.728 -17.689
  747   2HE2  GLN 101          HE21      GLN 101   2.397   3.304 -16.125
  748    H    HIS 102           H        HIS 102   8.993   4.538 -20.362
  749    HA   HIS 102           HA       HIS 102  10.294   6.663 -19.129
  750   1HB   HIS 102          HB2       HIS 102   9.802   6.014 -22.041
  751   2HB   HIS 102          HB3       HIS 102  10.885   7.322 -21.531
  752    HD1  HIS 102           HD1      HIS 102  11.129   3.738 -22.361
  753    HD2  HIS 102           HD2      HIS 102  12.669   6.329 -19.434
  754    HE1  HIS 102           HE1      HIS 102  13.137   2.553 -21.325
  755    H    ALA 103           H        ALA 103   7.079   6.750 -20.401
  756    HA   ALA 103           HA       ALA 103   6.752   9.557 -20.741
  757   1HB   ALA 103          HB1       ALA 103   4.821   7.411 -19.730
  758   2HB   ALA 103          HB2       ALA 103   4.367   9.059 -20.224
  759   3HB   ALA 103          HB3       ALA 103   5.044   7.938 -21.417
  760    H    ILE 104           H        ILE 104   6.826   7.476 -17.783
  761    HA   ILE 104           HA       ILE 104   6.082   9.555 -15.921
  762    HB   ILE 104           HB       ILE 104   7.825   7.088 -15.489
  763   1HG1  ILE 104          HG12      ILE 104   5.548   6.476 -16.326
  764   2HG1  ILE 104          HG13      ILE 104   5.946   5.860 -14.725
  765   1HG2  ILE 104          HG21      ILE 104   6.432   8.926 -13.504
  766   2HG2  ILE 104          HG22      ILE 104   7.088   7.329 -13.084
  767   3HG2  ILE 104          HG23      ILE 104   8.164   8.608 -13.665
  768   1HD1  ILE 104          HD11      ILE 104   4.560   7.478 -13.647
  769   2HD1  ILE 104          HD12      ILE 104   4.330   8.412 -15.156
  770   3HD1  ILE 104          HD13      ILE 104   3.611   6.782 -14.973
  771    H    SER 105           H        SER 105   9.244   8.188 -17.071
  772    HA   SER 105           HA       SER 105  10.876   9.696 -15.450
  773   1HB   SER 105          HB2       SER 105  11.450   8.787 -18.303
  774   2HB   SER 105          HB3       SER 105  12.615   9.046 -17.000
  775    HG   SER 105           HG       SER 105  12.116   6.834 -17.001
  776    H    THR 106           H        THR 106   9.805  10.461 -18.785
  777    HA   THR 106           HA       THR 106  10.976  13.068 -18.784
  778    HB   THR 106           HB       THR 106   9.349  13.453 -20.730
  779    HG1  THR 106           HG1      THR 106   9.009  10.631 -20.481
  780   1HG2  THR 106          HG21      THR 106  11.265  11.091 -20.899
  781   2HG2  THR 106          HG22      THR 106  10.723  12.157 -22.224
  782   3HG2  THR 106          HG23      THR 106  11.742  12.800 -20.933
  783    H    GLU 107           H        GLU 107   7.578  12.057 -17.932
  784    HA   GLU 107           HA       GLU 107   6.615  14.677 -17.559
  785   1HB   GLU 107          HB2       GLU 107   5.861  11.974 -16.344
  786   2HB   GLU 107          HB3       GLU 107   5.117  13.443 -15.749
  787   1HG   GLU 107          HG2       GLU 107   5.108  12.710 -18.703
  788   2HG   GLU 107          HG3       GLU 107   3.845  12.235 -17.571
  789    H    LYS 108           H        LYS 108   8.299  12.536 -15.226
  790    HA   LYS 108           HA       LYS 108   8.138  14.442 -13.071
  791   1HB   LYS 108          HB2       LYS 108   9.834  11.948 -13.532
  792   2HB   LYS 108          HB3       LYS 108   9.917  12.941 -12.065
  793   1HG   LYS 108          HG2       LYS 108   7.434  12.701 -11.820
  794   2HG   LYS 108          HG3       LYS 108   7.449  11.494 -13.105
  795   1HD   LYS 108          HD2       LYS 108   8.826   9.992 -11.810
  796   2HD   LYS 108          HD3       LYS 108   9.179  11.229 -10.598
  797   1HE   LYS 108          HE2       LYS 108   6.402  10.096 -11.168
  798   2HE   LYS 108          HE3       LYS 108   7.461   9.587  -9.846
  799   1HZ   LYS 108          HZ1       LYS 108   7.408  11.881  -9.009
  800   2HZ   LYS 108          HZ2       LYS 108   6.381  12.323 -10.194
  801   3HZ   LYS 108          HZ3       LYS 108   5.875  11.247  -9.080
  802    H    ILE 109           H        ILE 109  10.749  13.708 -15.473
  803    HA   ILE 109           HA       ILE 109  12.582  15.591 -14.367
  804    HB   ILE 109           HB       ILE 109  12.240  14.449 -17.156
  805   1HG1  ILE 109          HG12      ILE 109  14.535  14.071 -15.176
  806   2HG1  ILE 109          HG13      ILE 109  13.101  13.053 -15.120
  807   1HG2  ILE 109          HG21      ILE 109  14.435  16.318 -16.152
  808   2HG2  ILE 109          HG22      ILE 109  14.520  15.413 -17.655
  809   3HG2  ILE 109          HG23      ILE 109  13.294  16.662 -17.462
  810   1HD1  ILE 109          HD11      ILE 109  14.813  11.903 -16.378
  811   2HD1  ILE 109          HD12      ILE 109  13.518  12.361 -17.498
  812   3HD1  ILE 109          HD13      ILE 109  15.042  13.275 -17.463
  813    H    LYS 110           H        LYS 110   9.927  16.070 -16.824
  814    HA   LYS 110           HA       LYS 110  10.497  18.853 -17.153
  815   1HB   LYS 110          HB2       LYS 110   7.952  17.219 -17.524
  816   2HB   LYS 110          HB3       LYS 110   8.034  18.955 -17.861
  817   1HG   LYS 110          HG2       LYS 110   9.840  18.618 -19.481
  818   2HG   LYS 110          HG3       LYS 110   9.856  16.879 -19.145
  819   1HD   LYS 110          HD2       LYS 110   7.562  16.650 -19.989
  820   2HD   LYS 110          HD3       LYS 110   7.478  18.405 -20.287
  821   1HE   LYS 110          HE2       LYS 110   9.397  18.236 -21.855
  822   2HE   LYS 110          HE3       LYS 110   9.516  16.503 -21.540
  823   1HZ   LYS 110          HZ1       LYS 110   8.342  16.927 -23.576
  824   2HZ   LYS 110          HZ2       LYS 110   7.299  16.247 -22.522
  825   3HZ   LYS 110          HZ3       LYS 110   7.213  17.850 -22.837
  826    H    ALA 111           H        ALA 111   8.364  17.166 -14.779
  827    HA   ALA 111           HA       ALA 111   7.306  19.528 -13.633
  828   1HB   ALA 111          HB1       ALA 111   6.715  18.090 -11.726
  829   2HB   ALA 111          HB2       ALA 111   6.358  17.279 -13.263
  830   3HB   ALA 111          HB3       ALA 111   7.795  16.814 -12.322
  831    H    LYS 112           H        LYS 112  10.181  17.575 -12.619
  832    HA   LYS 112           HA       LYS 112  10.826  19.370 -10.451
  833   1HB   LYS 112          HB2       LYS 112  11.345  16.927 -10.586
  834   2HB   LYS 112          HB3       LYS 112  12.579  17.258 -11.795
  835   1HG   LYS 112          HG2       LYS 112  12.684  18.734  -9.149
  836   2HG   LYS 112          HG3       LYS 112  13.075  17.020  -9.157
  837   1HD   LYS 112          HD2       LYS 112  14.827  17.375 -10.853
  838   2HD   LYS 112          HD3       LYS 112  14.519  19.110 -10.853
  839   1HE   LYS 112          HE2       LYS 112  15.401  17.468  -8.435
  840   2HE   LYS 112          HE3       LYS 112  16.482  18.405  -9.465
  841   1HZ   LYS 112          HZ1       LYS 112  15.899  19.648  -7.504
  842   2HZ   LYS 112          HZ2       LYS 112  15.280  20.414  -8.799
  843   3HZ   LYS 112          HZ3       LYS 112  14.305  19.548  -7.808
  844    H    TYR 113           H        TYR 113  11.737  19.196 -13.840
  845    HA   TYR 113           HA       TYR 113  13.000  20.350 -15.200
  846   1HB   TYR 113          HB2       TYR 113  11.222  22.037 -14.324
  847   2HB   TYR 113          HB3       TYR 113  12.575  22.862 -13.592
  848    HD1  TYR 113           HD1      TYR 113  14.238  24.031 -15.051
  849    HD2  TYR 113           HD2      TYR 113  10.951  21.797 -16.734
  850    HE1  TYR 113           HE1      TYR 113  14.599  25.145 -17.236
  851    HE2  TYR 113           HE2      TYR 113  11.300  22.903 -18.917
  852    HH   TYR 113           HH       TYR 113  12.519  24.500 -20.100
  853    HA   PRO 114           HA       PRO 114  16.574  20.022 -12.211
  854   1HB   PRO 114          HB2       PRO 114  17.995  18.008 -13.454
  855   2HB   PRO 114          HB3       PRO 114  16.649  17.708 -12.319
  856   1HG   PRO 114          HG2       PRO 114  16.560  17.764 -15.340
  857   2HG   PRO 114          HG3       PRO 114  15.858  16.549 -14.222
  858   1HD   PRO 114          HD2       PRO 114  14.365  18.561 -15.296
  859   2HD   PRO 114          HD3       PRO 114  14.091  17.984 -13.622
  860    H    ASP 115           H        ASP 115  16.420  20.437 -15.705
  861    HA   ASP 115           HA       ASP 115  18.494  22.474 -15.531
  862   1HB   ASP 115          HB2       ASP 115  19.902  20.485 -15.950
  863   2HB   ASP 115          HB3       ASP 115  18.938  20.089 -17.374
  864    H    TYR 116           H        TYR 116  16.475  20.492 -17.820
  865    HA   TYR 116           HA       TYR 116  15.241  22.887 -18.877
  866   1HB   TYR 116          HB2       TYR 116  17.558  22.529 -20.069
  867   2HB   TYR 116          HB3       TYR 116  16.765  21.192 -20.870
  868    HD1  TYR 116           HD1      TYR 116  15.293  21.676 -22.780
  869    HD2  TYR 116           HD2      TYR 116  16.601  24.867 -20.192
  870    HE1  TYR 116           HE1      TYR 116  14.330  23.327 -24.347
  871    HE2  TYR 116           HE2      TYR 116  15.627  26.529 -21.742
  872    HH   TYR 116           HH       TYR 116  14.426  26.866 -23.718
  873    H    GLU 117           H        GLU 117  14.000  21.976 -21.018
  874    HA   GLU 117           HA       GLU 117  12.051  20.040 -20.324
  875   1HB   GLU 117          HB2       GLU 117  12.038  21.937 -22.076
  876   2HB   GLU 117          HB3       GLU 117  12.952  20.843 -23.130
  877   1HG   GLU 117          HG2       GLU 117  11.077  19.293 -23.211
  878   2HG   GLU 117          HG3       GLU 117  10.228  20.187 -21.943
  879    H    VAL 118           H        VAL 118  11.685  18.009 -21.744
  880    HA   VAL 118           HA       VAL 118  14.056  16.729 -22.800
  881    HB   VAL 118           HB       VAL 118  13.419  14.568 -21.567
  882   1HG1  VAL 118          HG11      VAL 118  14.606  16.706 -19.781
  883   2HG1  VAL 118          HG12      VAL 118  14.945  14.950 -19.811
  884   3HG1  VAL 118          HG13      VAL 118  15.441  15.978 -21.157
  885   1HG2  VAL 118          HG21      VAL 118  11.261  15.324 -20.595
  886   2HG2  VAL 118          HG22      VAL 118  12.405  14.714 -19.391
  887   3HG2  VAL 118          HG23      VAL 118  12.149  16.459 -19.550
  888    H    THR 119           H        THR 119  13.468  14.657 -23.892
  889    HA   THR 119           HA       THR 119  10.624  14.317 -24.585
  890    HB   THR 119           HB       THR 119  11.490  13.920 -27.022
  891    HG1  THR 119           HG1      THR 119  13.754  14.353 -26.260
  892   1HG2  THR 119          HG21      THR 119  11.052  16.216 -27.650
  893   2HG2  THR 119          HG22      THR 119   9.976  15.797 -26.310
  894   3HG2  THR 119          HG23      THR 119  11.416  16.797 -26.009
  895    H    TRP 120           H        TRP 120  10.476  12.075 -25.869
  896    HA   TRP 120           HA       TRP 120  12.660  10.288 -25.204
  897   1HB   TRP 120          HB2       TRP 120  11.367   8.641 -24.033
  898   2HB   TRP 120          HB3       TRP 120  11.233  10.139 -23.160
  899    HD1  TRP 120           HD1      TRP 120   8.761  11.497 -23.956
  900    HE1  TRP 120           HE1      TRP 120   6.424  10.469 -23.839
  901    HE3  TRP 120           HE3      TRP 120  10.054   6.577 -24.403
  902    HZ2  TRP 120           HZ2      TRP 120   5.254   7.818 -23.947
  903    HZ3  TRP 120           HZ3      TRP 120   8.314   4.817 -24.331
  904    HH2  TRP 120           HH2      TRP 120   5.914   5.420 -24.116
  905    H    ALA 121           H        ALA 121  12.145   8.036 -26.025
  906    HA   ALA 121           HA       ALA 121  10.086   7.885 -28.058
  907   1HB   ALA 121          HB1       ALA 121  13.025   7.304 -28.740
  908   2HB   ALA 121          HB2       ALA 121  11.635   6.971 -29.790
  909   3HB   ALA 121          HB3       ALA 121  12.060   8.649 -29.399
  910    H    ASN 122           H        ASN 122   9.427   5.717 -28.301
  911    HA   ASN 122           HA       ASN 122  10.056   4.071 -25.977
  912   1HB   ASN 122          HB2       ASN 122   7.720   4.624 -26.740
  913   2HB   ASN 122          HB3       ASN 122   8.006   3.654 -28.186
  914   1HD2  ASN 122          HD22      ASN 122   6.423   2.029 -27.701
  915   2HD2  ASN 122          HD21      ASN 122   6.576   0.953 -26.339
  916    H    ASP 123           H        ASP 123  12.277   4.143 -27.719
  917    HA   ASP 123           HA       ASP 123  12.653   1.345 -28.340
  918   1HB   ASP 123          HB2       ASP 123  11.536   2.505 -30.450
  919   2HB   ASP 123          HB3       ASP 123  13.137   3.239 -30.636
  920    H    GLY 124           H        GLY 124  14.939   1.227 -29.410
  921   1HA   GLY 124          HA2       GLY 124  17.027   2.675 -29.684
  922   2HA   GLY 124          HA3       GLY 124  16.842   3.038 -27.964
  923    H    TYR 125           H        TYR 125  19.170   1.906 -28.840
  924    HA   TYR 125           HA       TYR 125  19.265  -0.605 -27.346
  925   1HB   TYR 125          HB2       TYR 125  20.378  -0.284 -30.177
  926   2HB   TYR 125          HB3       TYR 125  20.813  -1.570 -29.069
  927    HD1  TYR 125           HD1      TYR 125  19.186  -3.342 -28.441
  928    HD2  TYR 125           HD2      TYR 125  18.254  -0.344 -31.401
  929    HE1  TYR 125           HE1      TYR 125  17.300  -4.729 -29.237
  930    HE2  TYR 125           HE2      TYR 125  16.361  -1.725 -32.211
  931    HH   TYR 125           HH       TYR 125  15.539  -4.911 -30.754
  Start of MODEL   19
    1   1H    MET   1          H1        MET   1  13.247   8.617  18.954
    2   2H    MET   1          H2        MET   1  14.194   9.196  17.750
    3   3H    MET   1          H3        MET   1  13.177  10.204  18.536
    4    HA   MET   1           HA       MET   1  12.394   7.959  16.821
    5   1HB   MET   1          HB2       MET   1  10.841   8.348  18.721
    6   2HB   MET   1          HB3       MET   1  10.590  10.012  18.194
    7   1HG   MET   1          HG2       MET   1  10.013   7.603  16.424
    8   2HG   MET   1          HG3       MET   1   8.848   8.237  17.576
    9   1HE   MET   1          HE1       MET   1   7.115   8.276  15.581
   10   2HE   MET   1          HE2       MET   1   7.338   9.219  14.092
   11   3HE   MET   1          HE3       MET   1   8.356   7.794  14.399
   12    H    ALA   2           H        ALA   2  12.106   8.425  14.670
   13    HA   ALA   2           HA       ALA   2  11.727  11.161  13.752
   14   1HB   ALA   2          HB1       ALA   2  14.207  10.953  13.682
   15   2HB   ALA   2          HB2       ALA   2  14.056   9.443  12.752
   16   3HB   ALA   2          HB3       ALA   2  13.524  10.983  12.047
   17    H    VAL   3           H        VAL   3  11.014  11.088  11.449
   18    HA   VAL   3           HA       VAL   3  10.395   8.587  10.183
   19    HB   VAL   3           HB       VAL   3   8.617   8.732  11.930
   20   1HG1  VAL   3          HG11      VAL   3   8.353  11.173  12.104
   21   2HG1  VAL   3          HG12      VAL   3   7.635  11.216  10.478
   22   3HG1  VAL   3          HG13      VAL   3   6.813  10.362  11.796
   23   1HG2  VAL   3          HG21      VAL   3   8.196   7.545   9.790
   24   2HG2  VAL   3          HG22      VAL   3   6.750   8.166  10.592
   25   3HG2  VAL   3          HG23      VAL   3   7.383   9.008   9.180
   26    H    ALA   4           H        ALA   4   9.117   9.198   8.062
   27    HA   ALA   4           HA       ALA   4   9.383  11.944   7.172
   28   1HB   ALA   4          HB1       ALA   4  11.654  10.991   6.656
   29   2HB   ALA   4          HB2       ALA   4  10.879   9.737   5.669
   30   3HB   ALA   4          HB3       ALA   4  10.750  11.438   5.204
   31    H    ASP   5           H        ASP   5   8.722  11.582   4.515
   32    HA   ASP   5           HA       ASP   5   6.449   9.716   4.355
   33   1HB   ASP   5          HB2       ASP   5   5.458  11.725   5.378
   34   2HB   ASP   5          HB3       ASP   5   6.197  12.750   4.145
   35    H    LEU   6           H        LEU   6   5.767   9.482   2.112
   36    HA   LEU   6           HA       LEU   6   7.811   9.297   0.244
   37   1HB   LEU   6          HB2       LEU   6   4.801   9.600  -0.118
   38   2HB   LEU   6          HB3       LEU   6   5.910   9.249  -1.422
   39    HG   LEU   6           HG       LEU   6   5.358   7.436   0.938
   40   1HD1  LEU   6          HD11      LEU   6   3.514   7.433  -0.583
   41   2HD1  LEU   6          HD12      LEU   6   4.553   7.413  -2.008
   42   3HD1  LEU   6          HD13      LEU   6   4.456   5.985  -0.974
   43   1HD2  LEU   6          HD21      LEU   6   6.710   5.751  -0.362
   44   2HD2  LEU   6          HD22      LEU   6   7.276   7.071  -1.401
   45   3HD2  LEU   6          HD23      LEU   6   7.658   7.058   0.336
   46    H    ALA   7           H        ALA   7   5.686  12.120   0.846
   47    HA   ALA   7           HA       ALA   7   6.302  13.458  -1.583
   48   1HB   ALA   7          HB1       ALA   7   5.406  14.608   1.094
   49   2HB   ALA   7          HB2       ALA   7   5.321  15.426  -0.479
   50   3HB   ALA   7          HB3       ALA   7   4.331  13.984  -0.183
   51    H    LEU   8           H        LEU   8   8.148  13.077   1.372
   52    HA   LEU   8           HA       LEU   8   9.760  15.508   0.976
   53   1HB   LEU   8          HB2       LEU   8  10.126  13.195   2.924
   54   2HB   LEU   8          HB3       LEU   8  10.991  14.725   2.947
   55    HG   LEU   8           HG       LEU   8   8.012  14.344   3.470
   56   1HD1  LEU   8          HD11      LEU   8   8.568  15.017   5.759
   57   2HD1  LEU   8          HD12      LEU   8   9.503  13.591   5.296
   58   3HD1  LEU   8          HD13      LEU   8  10.283  15.184   5.323
   59   1HD2  LEU   8          HD21      LEU   8   8.319  16.522   2.397
   60   2HD2  LEU   8          HD22      LEU   8   8.018  16.753   4.120
   61   3HD2  LEU   8          HD23      LEU   8   9.672  16.906   3.487
   62    H    ILE   9           H        ILE   9   9.791  12.221  -0.139
   63    HA   ILE   9           HA       ILE   9  12.587  11.763  -0.287
   64    HB   ILE   9           HB       ILE   9  10.284  10.641  -1.935
   65   1HG1  ILE   9          HG12      ILE   9  11.718   9.662   0.582
   66   2HG1  ILE   9          HG13      ILE   9  10.048  10.241   0.490
   67   1HG2  ILE   9          HG21      ILE   9  12.418  10.301  -3.117
   68   2HG2  ILE   9          HG22      ILE   9  13.126   9.632  -1.634
   69   3HG2  ILE   9          HG23      ILE   9  11.821   8.778  -2.483
   70   1HD1  ILE   9          HD11      ILE   9  11.163   7.656  -0.610
   71   2HD1  ILE   9          HD12      ILE   9   9.931   7.895   0.632
   72   3HD1  ILE   9          HD13      ILE   9   9.559   8.294  -1.062
   73    HA   PRO  10           HA       PRO  10  13.478  14.653  -3.722
   74   1HB   PRO  10          HB2       PRO  10  15.806  12.820  -4.223
   75   2HB   PRO  10          HB3       PRO  10  15.769  14.595  -4.074
   76   1HG   PRO  10          HG2       PRO  10  16.674  13.023  -2.033
   77   2HG   PRO  10          HG3       PRO  10  15.696  14.491  -1.713
   78   1HD   PRO  10          HD2       PRO  10  14.787  11.607  -1.746
   79   2HD   PRO  10          HD3       PRO  10  14.383  12.919  -0.595
   80    H    ASP  11           H        ASP  11  12.093  14.416  -5.376
   81    HA   ASP  11           HA       ASP  11  11.201  11.884  -6.273
   82   1HB   ASP  11          HB2       ASP  11   9.874  14.002  -6.109
   83   2HB   ASP  11          HB3       ASP  11  10.728  14.614  -7.536
   84    H    VAL  12           H        VAL  12  13.445  14.222  -7.724
   85    HA   VAL  12           HA       VAL  12  14.276  12.228  -9.721
   86    HB   VAL  12           HB       VAL  12  13.704  15.143 -10.383
   87   1HG1  VAL  12          HG11      VAL  12  15.566  14.215 -11.699
   88   2HG1  VAL  12          HG12      VAL  12  14.557  12.839 -12.189
   89   3HG1  VAL  12          HG13      VAL  12  14.157  14.489 -12.719
   90   1HG2  VAL  12          HG21      VAL  12  12.090  12.702 -11.168
   91   2HG2  VAL  12          HG22      VAL  12  11.554  14.107 -10.226
   92   3HG2  VAL  12          HG23      VAL  12  11.947  14.304 -11.929
   93    H    ASP  13           H        ASP  13  16.499  12.215  -9.819
   94    HA   ASP  13           HA       ASP  13  18.035  14.634  -9.351
   95   1HB   ASP  13          HB2       ASP  13  17.910  13.911  -7.025
   96   2HB   ASP  13          HB3       ASP  13  18.371  12.267  -7.466
   97    H    ILE  14           H        ILE  14  19.183  14.538 -11.218
   98    HA   ILE  14           HA       ILE  14  20.389  12.010 -12.094
   99    HB   ILE  14           HB       ILE  14  19.482  12.294 -14.367
  100   1HG1  ILE  14          HG12      ILE  14  17.508  14.331 -13.245
  101   2HG1  ILE  14          HG13      ILE  14  18.930  14.768 -14.188
  102   1HG2  ILE  14          HG21      ILE  14  17.341  11.279 -14.013
  103   2HG2  ILE  14          HG22      ILE  14  18.403  10.772 -12.706
  104   3HG2  ILE  14          HG23      ILE  14  17.177  12.013 -12.402
  105   1HD1  ILE  14          HD11      ILE  14  16.609  13.084 -15.181
  106   2HD1  ILE  14          HD12      ILE  14  17.012  14.746 -15.640
  107   3HD1  ILE  14          HD13      ILE  14  18.095  13.419 -16.099
  108    H    ASP  15           H        ASP  15  21.916  12.338 -13.872
  109    HA   ASP  15           HA       ASP  15  23.410  14.862 -13.744
  110   1HB   ASP  15          HB2       ASP  15  24.599  12.754 -14.094
  111   2HB   ASP  15          HB3       ASP  15  23.651  12.408 -15.529
  112    H    SER  16           H        SER  16  23.689  16.228 -15.787
  113    HA   SER  16           HA       SER  16  21.699  15.889 -17.893
  114   1HB   SER  16          HB2       SER  16  21.678  18.392 -16.143
  115   2HB   SER  16          HB3       SER  16  20.729  18.147 -17.624
  116    HG   SER  16           HG       SER  16  20.401  16.074 -15.960
  117    H    ASP  17           H        ASP  17  24.561  15.656 -17.770
  118    HA   ASP  17           HA       ASP  17  25.445  18.016 -19.389
  119   1HB   ASP  17          HB2       ASP  17  26.192  18.213 -17.047
  120   2HB   ASP  17          HB3       ASP  17  26.950  16.623 -17.152
  121    H    GLY  18           H        GLY  18  25.316  14.523 -19.120
  122   1HA   GLY  18          HA2       GLY  18  26.744  14.306 -21.694
  123   2HA   GLY  18          HA3       GLY  18  27.470  13.484 -20.307
  124    H    VAL  19           H        VAL  19  27.048  11.666 -21.910
  125    HA   VAL  19           HA       VAL  19  24.345  10.511 -21.921
  126    HB   VAL  19           HB       VAL  19  27.098   9.485 -22.766
  127   1HG1  VAL  19          HG11      VAL  19  24.381   8.141 -23.029
  128   2HG1  VAL  19          HG12      VAL  19  25.835   7.644 -23.923
  129   3HG1  VAL  19          HG13      VAL  19  25.802   7.531 -22.162
  130   1HG2  VAL  19          HG21      VAL  19  26.221   9.711 -25.063
  131   2HG2  VAL  19          HG22      VAL  19  24.697  10.363 -24.430
  132   3HG2  VAL  19          HG23      VAL  19  26.211  11.270 -24.237
  133    H    PHE  20           H        PHE  20  23.621   8.994 -20.422
  134    HA   PHE  20           HA       PHE  20  25.409   7.465 -18.766
  135   1HB   PHE  20          HB2       PHE  20  24.600   8.246 -16.596
  136   2HB   PHE  20          HB3       PHE  20  25.428   9.547 -17.419
  137    HD1  PHE  20           HD1      PHE  20  24.096  11.432 -18.467
  138    HD2  PHE  20           HD2      PHE  20  22.271   8.453 -15.967
  139    HE1  PHE  20           HE1      PHE  20  22.111  12.887 -18.187
  140    HE2  PHE  20           HE2      PHE  20  20.298   9.924 -15.649
  141    HZ   PHE  20           HZ       PHE  20  20.216  12.144 -16.760
  142    H    LYS  21           H        LYS  21  23.938   6.142 -17.141
  143    HA   LYS  21           HA       LYS  21  21.487   5.392 -18.670
  144   1HB   LYS  21          HB2       LYS  21  23.190   3.634 -16.847
  145   2HB   LYS  21          HB3       LYS  21  21.753   3.153 -17.757
  146   1HG   LYS  21          HG2       LYS  21  23.007   3.846 -19.884
  147   2HG   LYS  21          HG3       LYS  21  24.456   3.994 -18.874
  148   1HD   LYS  21          HD2       LYS  21  24.087   1.555 -18.187
  149   2HD   LYS  21          HD3       LYS  21  22.780   1.506 -19.372
  150   1HE   LYS  21          HE2       LYS  21  24.602   0.614 -20.536
  151   2HE   LYS  21          HE3       LYS  21  24.468   2.276 -21.130
  152   1HZ   LYS  21          HZ1       LYS  21  26.317   2.878 -19.712
  153   2HZ   LYS  21          HZ2       LYS  21  26.364   1.384 -19.029
  154   3HZ   LYS  21          HZ3       LYS  21  26.759   1.588 -20.607
  155    H    TYR  22           H        TYR  22  19.620   4.797 -17.402
  156    HA   TYR  22           HA       TYR  22  19.586   5.938 -14.667
  157   1HB   TYR  22          HB2       TYR  22  18.352   7.704 -15.200
  158   2HB   TYR  22          HB3       TYR  22  18.808   7.438 -16.862
  159    HD1  TYR  22           HD1      TYR  22  17.281   5.823 -18.240
  160    HD2  TYR  22           HD2      TYR  22  16.108   7.623 -14.506
  161    HE1  TYR  22           HE1      TYR  22  14.951   5.102 -18.626
  162    HE2  TYR  22           HE2      TYR  22  13.757   6.966 -14.919
  163    HH   TYR  22           HH       TYR  22  12.285   5.961 -16.381
  164    H    VAL  23           H        VAL  23  17.365   5.491 -13.648
  165    HA   VAL  23           HA       VAL  23  16.088   3.021 -14.578
  166    HB   VAL  23           HB       VAL  23  18.058   2.417 -13.127
  167   1HG1  VAL  23          HG11      VAL  23  17.920   2.730 -10.697
  168   2HG1  VAL  23          HG12      VAL  23  18.002   4.294 -11.536
  169   3HG1  VAL  23          HG13      VAL  23  16.467   3.725 -10.887
  170   1HG2  VAL  23          HG21      VAL  23  16.253   0.841 -13.377
  171   2HG2  VAL  23          HG22      VAL  23  16.899   0.781 -11.737
  172   3HG2  VAL  23          HG23      VAL  23  15.347   1.590 -12.045
  173    H    LEU  24           H        LEU  24  13.990   2.751 -13.612
  174    HA   LEU  24           HA       LEU  24  12.830   5.204 -12.357
  175   1HB   LEU  24          HB2       LEU  24  12.061   4.761 -14.700
  176   2HB   LEU  24          HB3       LEU  24  11.576   3.140 -14.228
  177    HG   LEU  24           HG       LEU  24   9.850   4.174 -12.660
  178   1HD1  LEU  24          HD11      LEU  24   9.284   6.520 -12.935
  179   2HD1  LEU  24          HD12      LEU  24  10.935   6.392 -12.350
  180   3HD1  LEU  24          HD13      LEU  24  10.632   6.754 -14.069
  181   1HD2  LEU  24          HD21      LEU  24   9.670   5.000 -15.585
  182   2HD2  LEU  24          HD22      LEU  24   9.259   3.398 -14.917
  183   3HD2  LEU  24          HD23      LEU  24   8.318   4.819 -14.446
  184    H    ILE  25           H        ILE  25  12.350   4.680 -10.183
  185    HA   ILE  25           HA       ILE  25  11.782   1.811  -9.665
  186    HB   ILE  25           HB       ILE  25  13.309   1.488  -8.229
  187   1HG1  ILE  25          HG12      ILE  25  13.236   4.247  -6.991
  188   2HG1  ILE  25          HG13      ILE  25  12.238   2.892  -6.469
  189   1HG2  ILE  25          HG21      ILE  25  14.663   2.582 -10.006
  190   2HG2  ILE  25          HG22      ILE  25  14.701   4.064  -8.997
  191   3HG2  ILE  25          HG23      ILE  25  15.446   2.560  -8.432
  192   1HD1  ILE  25          HD11      ILE  25  15.258   3.030  -6.303
  193   2HD1  ILE  25          HD12      ILE  25  14.085   3.013  -4.984
  194   3HD1  ILE  25          HD13      ILE  25  14.290   1.566  -5.999
  195    H    ARG  26           H        ARG  26  10.152   1.284  -8.454
  196    HA   ARG  26           HA       ARG  26   8.244   3.338  -7.540
  197   1HB   ARG  26          HB2       ARG  26   7.462   1.297  -8.654
  198   2HB   ARG  26          HB3       ARG  26   8.237   0.279  -7.448
  199   1HG   ARG  26          HG2       ARG  26   6.709   0.861  -5.753
  200   2HG   ARG  26          HG3       ARG  26   6.200   2.350  -6.558
  201   1HD   ARG  26          HD2       ARG  26   5.609  -0.427  -7.660
  202   2HD   ARG  26          HD3       ARG  26   4.498   0.487  -6.616
  203    HE   ARG  26           HE       ARG  26   5.154   2.285  -8.584
  204   1HH1  ARG  26          HH11      ARG  26   3.606  -0.920  -8.637
  205   2HH1  ARG  26          HH12      ARG  26   2.749  -0.625 -10.102
  206   1HH2  ARG  26          HH21      ARG  26   4.091   2.672 -10.511
  207   2HH2  ARG  26          HH22      ARG  26   3.001   1.494 -11.187
  208    H    VAL  27           H        VAL  27   7.815   3.643  -5.346
  209    HA   VAL  27           HA       VAL  27   9.617   2.452  -3.312
  210    HB   VAL  27           HB       VAL  27   8.783   5.378  -3.619
  211   1HG1  VAL  27          HG11      VAL  27  10.450   5.834  -1.882
  212   2HG1  VAL  27          HG12      VAL  27   9.225   4.716  -1.282
  213   3HG1  VAL  27          HG13      VAL  27  10.831   4.111  -1.759
  214   1HG2  VAL  27          HG21      VAL  27  10.371   4.947  -5.411
  215   2HG2  VAL  27          HG22      VAL  27  11.156   5.888  -4.147
  216   3HG2  VAL  27          HG23      VAL  27  11.488   4.147  -4.282
  217    H    HIS  28           H        HIS  28   8.480   2.010  -1.400
  218    HA   HIS  28           HA       HIS  28   5.520   2.484  -1.397
  219   1HB   HIS  28          HB2       HIS  28   7.191   0.368   0.007
  220   2HB   HIS  28          HB3       HIS  28   5.432   0.481  -0.021
  221    HD1  HIS  28           HD1      HIS  28   4.497   0.442  -2.844
  222    HD2  HIS  28           HD2      HIS  28   8.137  -1.346  -1.703
  223    HE1  HIS  28           HE1      HIS  28   5.070  -1.251  -4.656
  224    H    SER  29           H        SER  29   4.546   3.267   0.472
  225    HA   SER  29           HA       SER  29   6.044   5.022   2.152
  226   1HB   SER  29          HB2       SER  29   3.277   3.884   2.644
  227   2HB   SER  29          HB3       SER  29   3.966   5.335   3.374
  228    HG   SER  29           HG       SER  29   3.352   4.883   0.629
  229    H    ALA  30           H        ALA  30   7.652   3.993   3.339
  230    HA   ALA  30           HA       ALA  30   6.669   2.712   5.761
  231   1HB   ALA  30          HB1       ALA  30   8.788   1.338   4.056
  232   2HB   ALA  30          HB2       ALA  30   8.227   0.812   5.653
  233   3HB   ALA  30          HB3       ALA  30   7.120   0.784   4.280
  234    HA   PRO  31           HA       PRO  31  10.892   5.249   5.925
  235   1HB   PRO  31          HB2       PRO  31   9.017   7.480   6.709
  236   2HB   PRO  31          HB3       PRO  31  10.731   7.578   6.170
  237   1HG   PRO  31          HG2       PRO  31   8.744   7.971   4.367
  238   2HG   PRO  31          HG3       PRO  31  10.137   6.937   3.934
  239   1HD   PRO  31          HD2       PRO  31   7.372   6.108   4.826
  240   2HD   PRO  31          HD3       PRO  31   8.428   5.410   3.572
  241    H    ARG  32           H        ARG  32  11.911   5.070   7.747
  242    HA   ARG  32           HA       ARG  32  12.355   3.967   9.679
  243   1HB   ARG  32          HB2       ARG  32  10.853   6.372  10.747
  244   2HB   ARG  32          HB3       ARG  32  12.105   5.467  11.588
  245   1HG   ARG  32          HG2       ARG  32  12.457   7.212   9.119
  246   2HG   ARG  32          HG3       ARG  32  13.043   7.538  10.739
  247   1HD   ARG  32          HD2       ARG  32  14.025   5.295   8.918
  248   2HD   ARG  32          HD3       ARG  32  14.850   6.822   9.232
  249    HE   ARG  32           HE       ARG  32  14.416   5.666  11.733
  250   1HH1  ARG  32          HH11      ARG  32  16.286   4.840   8.780
  251   2HH1  ARG  32          HH12      ARG  32  17.443   3.911   9.653
  252   1HH2  ARG  32          HH21      ARG  32  15.985   4.416  12.839
  253   2HH2  ARG  32          HH22      ARG  32  17.282   3.674  11.986
  254    H    SER  33           H        SER  33   9.968   2.799   8.567
  255    HA   SER  33           HA       SER  33   8.283   1.437   9.058
  256   1HB   SER  33          HB2       SER  33   9.741   0.964  11.681
  257   2HB   SER  33          HB3       SER  33   8.644  -0.147  10.845
  258    HG   SER  33           HG       SER  33  10.853  -0.631  10.459
  259    H    GLY  34           H        GLY  34   7.834   4.253   9.777
  260   1HA   GLY  34          HA2       GLY  34   5.626   3.892  11.765
  261   2HA   GLY  34          HA3       GLY  34   6.808   5.202  11.912
  262    H    ALA  35           H        ALA  35   6.027   4.389   8.647
  263    HA   ALA  35           HA       ALA  35   4.947   6.945   8.065
  264   1HB   ALA  35          HB1       ALA  35   4.573   6.005   5.826
  265   2HB   ALA  35          HB2       ALA  35   6.145   5.491   6.470
  266   3HB   ALA  35          HB3       ALA  35   4.771   4.356   6.457
  267    HA   PRO  36           HA       PRO  36   0.741   6.323   9.220
  268   1HB   PRO  36          HB2       PRO  36  -0.578   8.292   7.873
  269   2HB   PRO  36          HB3       PRO  36   0.673   8.646   9.102
  270   1HG   PRO  36          HG2       PRO  36   1.025   8.503   6.084
  271   2HG   PRO  36          HG3       PRO  36   1.522   9.827   7.190
  272   1HD   PRO  36          HD2       PRO  36   3.264   7.885   6.408
  273   2HD   PRO  36          HD3       PRO  36   3.302   8.553   8.067
  274    H    ALA  37           H        ALA  37   1.635   5.429   6.035
  275    HA   ALA  37           HA       ALA  37  -0.950   4.159   5.443
  276   1HB   ALA  37          HB1       ALA  37   0.319   6.268   3.624
  277   2HB   ALA  37          HB2       ALA  37  -1.171   5.349   3.301
  278   3HB   ALA  37          HB3       ALA  37  -1.131   6.527   4.621
  279    H    ALA  38           H        ALA  38  -0.614   3.255   3.015
  280    HA   ALA  38           HA       ALA  38   2.131   2.229   2.583
  281   1HB   ALA  38          HB1       ALA  38  -0.360   0.493   2.546
  282   2HB   ALA  38          HB2       ALA  38   1.307  -0.002   2.155
  283   3HB   ALA  38          HB3       ALA  38   0.896   0.476   3.812
  284    H    GLU  39           H        GLU  39   0.945   4.451   1.381
  285    HA   GLU  39           HA       GLU  39   0.016   3.683  -1.268
  286   1HB   GLU  39          HB2       GLU  39   1.099   6.322  -0.163
  287   2HB   GLU  39          HB3       GLU  39   0.414   6.121  -1.773
  288   1HG   GLU  39          HG2       GLU  39  -1.074   5.765   0.863
  289   2HG   GLU  39          HG3       GLU  39  -1.197   7.134  -0.228
  290    H    SER  40           H        SER  40   1.410   4.505  -3.215
  291    HA   SER  40           HA       SER  40   4.295   4.117  -2.769
  292   1HB   SER  40          HB2       SER  40   2.807   2.628  -4.954
  293   2HB   SER  40          HB3       SER  40   4.497   2.451  -4.481
  294    HG   SER  40           HG       SER  40   2.199   1.738  -2.958
  295    H    LYS  41           H        LYS  41   5.572   4.789  -4.642
  296    HA   LYS  41           HA       LYS  41   4.355   6.428  -6.727
  297   1HB   LYS  41          HB2       LYS  41   5.528   8.509  -6.062
  298   2HB   LYS  41          HB3       LYS  41   4.292   8.028  -4.931
  299   1HG   LYS  41          HG2       LYS  41   5.921   8.698  -3.506
  300   2HG   LYS  41          HG3       LYS  41   6.170   6.966  -3.514
  301   1HD   LYS  41          HD2       LYS  41   8.301   7.746  -3.501
  302   2HD   LYS  41          HD3       LYS  41   8.103   7.480  -5.221
  303   1HE   LYS  41          HE2       LYS  41   7.767  10.159  -3.763
  304   2HE   LYS  41          HE3       LYS  41   9.241   9.624  -4.567
  305   1HZ   LYS  41          HZ1       LYS  41   6.661  10.226  -5.887
  306   2HZ   LYS  41          HZ2       LYS  41   8.083  11.004  -6.100
  307   3HZ   LYS  41          HZ3       LYS  41   7.939   9.503  -6.659
  308    H    GLU  42           H        GLU  42   6.137   7.328  -8.186
  309    HA   GLU  42           HA       GLU  42   8.443   5.437  -8.208
  310   1HB   GLU  42          HB2       GLU  42   6.856   6.848 -10.378
  311   2HB   GLU  42          HB3       GLU  42   8.540   6.432 -10.649
  312   1HG   GLU  42          HG2       GLU  42   7.308   4.688 -11.584
  313   2HG   GLU  42          HG3       GLU  42   8.060   4.049 -10.130
  314    H    ILE  43           H        ILE  43  10.535   6.284  -8.717
  315    HA   ILE  43           HA       ILE  43  10.885   9.222  -8.781
  316    HB   ILE  43           HB       ILE  43  12.875   9.044  -7.346
  317   1HG1  ILE  43          HG12      ILE  43  11.964   6.205  -6.723
  318   2HG1  ILE  43          HG13      ILE  43  13.361   6.613  -7.718
  319   1HG2  ILE  43          HG21      ILE  43  10.432   7.969  -5.896
  320   2HG2  ILE  43          HG22      ILE  43  11.703   9.035  -5.245
  321   3HG2  ILE  43          HG23      ILE  43  10.593   9.648  -6.475
  322   1HD1  ILE  43          HD11      ILE  43  13.078   7.292  -4.763
  323   2HD1  ILE  43          HD12      ILE  43  14.037   5.990  -5.472
  324   3HD1  ILE  43          HD13      ILE  43  14.467   7.682  -5.806
  325    H    VAL  44           H        VAL  44  12.940   9.831  -9.749
  326    HA   VAL  44           HA       VAL  44  13.782   7.900 -11.882
  327    HB   VAL  44           HB       VAL  44  13.191  10.892 -11.948
  328   1HG1  VAL  44          HG11      VAL  44  14.113   9.121 -14.240
  329   2HG1  VAL  44          HG12      VAL  44  13.593  10.808 -14.366
  330   3HG1  VAL  44          HG13      VAL  44  15.062  10.413 -13.471
  331   1HG2  VAL  44          HG21      VAL  44  11.130   9.501 -11.983
  332   2HG2  VAL  44          HG22      VAL  44  11.390  10.337 -13.512
  333   3HG2  VAL  44          HG23      VAL  44  11.779   8.614 -13.380
  334    H    ARG  45           H        ARG  45  15.955   7.431 -11.683
  335    HA   ARG  45           HA       ARG  45  17.799   9.565 -10.735
  336   1HB   ARG  45          HB2       ARG  45  17.735   6.709  -9.670
  337   2HB   ARG  45          HB3       ARG  45  18.982   7.892  -9.300
  338   1HG   ARG  45          HG2       ARG  45  16.047   8.048  -8.474
  339   2HG   ARG  45          HG3       ARG  45  17.413   7.626  -7.448
  340   1HD   ARG  45          HD2       ARG  45  18.364   9.872  -7.693
  341   2HD   ARG  45          HD3       ARG  45  17.042  10.347  -8.738
  342    HE   ARG  45           HE       ARG  45  15.564  10.430  -6.954
  343   1HH1  ARG  45          HH21      ARG  45  18.746   9.341  -5.840
  344   2HH1  ARG  45          HH22      ARG  45  18.330   9.345  -4.167
  345   1HH2  ARG  45          HH11      ARG  45  15.016  10.542  -4.741
  346   2HH2  ARG  45          HH12      ARG  45  16.147  10.032  -3.527
  347    H    GLY  46           H        GLY  46  19.938   9.324 -11.568
  348   1HA   GLY  46          HA2       GLY  46  20.974   7.083 -12.863
  349   2HA   GLY  46          HA3       GLY  46  20.192   8.062 -14.112
  350    H    TYR  47           H        TYR  47  23.114   7.465 -13.398
  351    HA   TYR  47           HA       TYR  47  24.143  10.226 -13.461
  352   1HB   TYR  47          HB2       TYR  47  25.065   8.270 -11.328
  353   2HB   TYR  47          HB3       TYR  47  25.508   9.957 -11.492
  354    HD1  TYR  47           HD1      TYR  47  22.882   7.583 -10.456
  355    HD2  TYR  47           HD2      TYR  47  24.089  11.718 -10.514
  356    HE1  TYR  47           HE1      TYR  47  21.209   8.085  -8.693
  357    HE2  TYR  47           HE2      TYR  47  22.425  12.234  -8.758
  358    HH   TYR  47           HH       TYR  47  20.839  11.381  -7.304
  359    H    LYS  48           H        LYS  48  26.438  10.211 -14.060
  360    HA   LYS  48           HA       LYS  48  27.105   8.220 -15.946
  361   1HB   LYS  48          HB2       LYS  48  27.930  10.587 -15.876
  362   2HB   LYS  48          HB3       LYS  48  29.002  10.148 -14.535
  363   1HG   LYS  48          HG2       LYS  48  30.185   8.539 -15.996
  364   2HG   LYS  48          HG3       LYS  48  29.046   8.880 -17.316
  365   1HD   LYS  48          HD2       LYS  48  29.813  11.239 -17.364
  366   2HD   LYS  48          HD3       LYS  48  30.943  10.899 -16.034
  367   1HE   LYS  48          HE2       LYS  48  32.081   9.197 -17.449
  368   2HE   LYS  48          HE3       LYS  48  30.959   9.541 -18.771
  369   1HZ   LYS  48          HZ1       LYS  48  33.045  10.721 -19.046
  370   2HZ   LYS  48          HZ2       LYS  48  31.845  11.801 -18.843
  371   3HZ   LYS  48          HZ3       LYS  48  32.880  11.482 -17.618
  372    H    TRP  49           H        TRP  49  27.935   8.399 -12.454
  373    HA   TRP  49           HA       TRP  49  29.904   6.341 -12.586
  374   1HB   TRP  49          HB2       TRP  49  29.524   6.137 -10.115
  375   2HB   TRP  49          HB3       TRP  49  30.035   7.690 -10.726
  376    HD1  TRP  49           HD1      TRP  49  28.824   9.706  -9.858
  377    HE1  TRP  49           HE1      TRP  49  26.728  10.190  -8.494
  378    HE3  TRP  49           HE3      TRP  49  26.812   4.984  -9.740
  379    HZ2  TRP  49           HZ2      TRP  49  24.404   8.736  -7.543
  380    HZ3  TRP  49           HZ3      TRP  49  24.588   4.611  -8.754
  381    HH2  TRP  49           HH2      TRP  49  23.317   6.507  -7.740
  382    H    ALA  50           H        ALA  50  26.364   6.091 -12.652
  383    HA   ALA  50           HA       ALA  50  26.506   3.214 -12.035
  384   1HB   ALA  50          HB1       ALA  50  24.581   4.344 -11.180
  385   2HB   ALA  50          HB2       ALA  50  24.151   4.961 -12.804
  386   3HB   ALA  50          HB3       ALA  50  24.127   3.209 -12.455
  387    H    GLU  51           H        GLU  51  28.049   2.792 -13.721
  388    HA   GLU  51           HA       GLU  51  27.482   3.161 -16.486
  389   1HB   GLU  51          HB2       GLU  51  29.169   1.049 -15.063
  390   2HB   GLU  51          HB3       GLU  51  29.173   1.335 -16.809
  391   1HG   GLU  51          HG2       GLU  51  29.896   3.693 -16.392
  392   2HG   GLU  51          HG3       GLU  51  29.999   3.332 -14.665
  393    H    TYR  52           H        TYR  52  25.879   1.138 -14.221
  394    HA   TYR  52           HA       TYR  52  24.420  -0.225 -16.356
  395   1HB   TYR  52          HB2       TYR  52  24.444  -2.304 -14.768
  396   2HB   TYR  52          HB3       TYR  52  25.676  -2.059 -15.990
  397    HD1  TYR  52           HD1      TYR  52  25.068  -2.474 -12.433
  398    HD2  TYR  52           HD2      TYR  52  27.904  -1.126 -15.365
  399    HE1  TYR  52           HE1      TYR  52  26.873  -2.686 -10.749
  400    HE2  TYR  52           HE2      TYR  52  29.747  -1.328 -13.691
  401    HH   TYR  52           HH       TYR  52  29.151  -2.437 -10.319
  402    H    HIS  53           H        HIS  53  22.272  -0.570 -15.768
  403    HA   HIS  53           HA       HIS  53  21.132   1.280 -14.009
  404   1HB   HIS  53          HB2       HIS  53  19.698  -1.234 -14.917
  405   2HB   HIS  53          HB3       HIS  53  19.023   0.365 -14.624
  406    HD1  HIS  53           HD1      HIS  53  19.142   2.080 -16.736
  407    HD2  HIS  53           HD2      HIS  53  21.108  -1.622 -17.200
  408    HE1  HIS  53           HE1      HIS  53  19.813   1.883 -19.203
  409    H    ALA  54           H        ALA  54  21.984  -2.133 -13.430
  410    HA   ALA  54           HA       ALA  54  20.536  -2.485 -11.017
  411   1HB   ALA  54          HB1       ALA  54  22.125  -4.302 -10.560
  412   2HB   ALA  54          HB2       ALA  54  21.589  -4.346 -12.249
  413   3HB   ALA  54          HB3       ALA  54  23.204  -3.717 -11.840
  414    H    ASP  55           H        ASP  55  23.542  -0.674 -11.662
  415    HA   ASP  55           HA       ASP  55  24.488  -0.655  -8.957
  416   1HB   ASP  55          HB2       ASP  55  25.772   0.072 -11.102
  417   2HB   ASP  55          HB3       ASP  55  24.904   1.578 -10.972
  418    H    ILE  56           H        ILE  56  22.384   1.570 -10.834
  419    HA   ILE  56           HA       ILE  56  22.015   3.333  -8.566
  420    HB   ILE  56           HB       ILE  56  19.892   3.946 -10.178
  421   1HG1  ILE  56          HG12      ILE  56  22.007   2.854 -12.055
  422   2HG1  ILE  56          HG13      ILE  56  20.266   2.552 -11.998
  423   1HG2  ILE  56          HG21      ILE  56  21.424   5.427  -9.069
  424   2HG2  ILE  56          HG22      ILE  56  22.657   5.121 -10.320
  425   3HG2  ILE  56          HG23      ILE  56  21.115   5.918 -10.725
  426   1HD1  ILE  56          HD11      ILE  56  21.717   5.037 -12.919
  427   2HD1  ILE  56          HD12      ILE  56  20.764   3.901 -13.887
  428   3HD1  ILE  56          HD13      ILE  56  19.944   4.943 -12.699
  429    H    TYR  57           H        TYR  57  20.124   0.553  -9.937
  430    HA   TYR  57           HA       TYR  57  17.881   0.970  -8.235
  431   1HB   TYR  57          HB2       TYR  57  17.786  -0.703  -9.989
  432   2HB   TYR  57          HB3       TYR  57  19.080  -1.634  -9.233
  433    HD1  TYR  57           HD1      TYR  57  18.291  -3.600  -8.214
  434    HD2  TYR  57           HD2      TYR  57  15.878  -0.028  -7.969
  435    HE1  TYR  57           HE1      TYR  57  16.687  -4.779  -6.743
  436    HE2  TYR  57           HE2      TYR  57  14.304  -1.170  -6.482
  437    HH   TYR  57           HH       TYR  57  13.801  -3.186  -5.313
  438    H    ASP  58           H        ASP  58  20.985  -0.819  -7.622
  439    HA   ASP  58           HA       ASP  58  20.339  -1.543  -4.954
  440   1HB   ASP  58          HB2       ASP  58  22.109  -2.651  -6.203
  441   2HB   ASP  58          HB3       ASP  58  23.033  -1.148  -6.302
  442    H    LYS  59           H        LYS  59  22.276   1.248  -6.207
  443    HA   LYS  59           HA       LYS  59  22.960   2.420  -3.741
  444   1HB   LYS  59          HB2       LYS  59  23.827   3.117  -5.990
  445   2HB   LYS  59          HB3       LYS  59  22.249   3.775  -6.377
  446   1HG   LYS  59          HG2       LYS  59  23.302   5.701  -5.736
  447   2HG   LYS  59          HG3       LYS  59  22.558   5.261  -4.232
  448   1HD   LYS  59          HD2       LYS  59  24.792   5.979  -3.788
  449   2HD   LYS  59          HD3       LYS  59  24.741   4.229  -3.495
  450   1HE   LYS  59          HE2       LYS  59  25.758   3.847  -5.746
  451   2HE   LYS  59          HE3       LYS  59  25.755   5.589  -6.043
  452   1HZ   LYS  59          HZ1       LYS  59  27.914   4.818  -5.297
  453   2HZ   LYS  59          HZ2       LYS  59  27.301   5.841  -4.189
  454   3HZ   LYS  59          HZ3       LYS  59  27.299   4.230  -3.908
  455    H    VAL  60           H        VAL  60  20.104   3.111  -5.819
  456    HA   VAL  60           HA       VAL  60  19.090   5.073  -4.013
  457    HB   VAL  60           HB       VAL  60  17.774   3.679  -6.355
  458   1HG1  VAL  60          HG11      VAL  60  16.125   4.711  -4.763
  459   2HG1  VAL  60          HG12      VAL  60  17.025   6.224  -4.815
  460   3HG1  VAL  60          HG13      VAL  60  16.224   5.617  -6.289
  461   1HG2  VAL  60          HG21      VAL  60  19.059   6.446  -6.174
  462   2HG2  VAL  60          HG22      VAL  60  19.880   5.046  -6.864
  463   3HG2  VAL  60          HG23      VAL  60  18.408   5.618  -7.619
  464    H    SER  61           H        SER  61  18.228   1.558  -4.547
  465    HA   SER  61           HA       SER  61  16.171   1.589  -2.585
  466   1HB   SER  61          HB2       SER  61  17.963  -0.732  -3.381
  467   2HB   SER  61          HB3       SER  61  16.401  -0.827  -2.537
  468    HG   SER  61           HG       SER  61  17.003  -0.094  -5.171
  469    H    GLY  62           H        GLY  62  19.731   1.418  -2.220
  470   1HA   GLY  62          HA2       GLY  62  19.779   0.659   0.534
  471   2HA   GLY  62          HA3       GLY  62  21.017   1.579  -0.346
  472    H    ASP  63           H        ASP  63  19.825   3.929  -1.057
  473    HA   ASP  63           HA       ASP  63  19.732   5.375   1.389
  474   1HB   ASP  63          HB2       ASP  63  20.394   6.369  -0.789
  475   2HB   ASP  63          HB3       ASP  63  18.711   6.284  -1.326
  476    H    MET  64           H        MET  64  17.085   4.400  -0.868
  477    HA   MET  64           HA       MET  64  14.915   5.415   0.618
  478   1HB   MET  64          HB2       MET  64  15.170   2.905  -1.084
  479   2HB   MET  64          HB3       MET  64  13.645   3.543  -0.498
  480   1HG   MET  64          HG2       MET  64  15.504   4.991  -2.409
  481   2HG   MET  64          HG3       MET  64  13.984   4.226  -2.803
  482   1HE   MET  64          HE1       MET  64  15.651   7.442  -2.447
  483   2HE   MET  64          HE2       MET  64  14.765   8.395  -1.234
  484   3HE   MET  64          HE3       MET  64  15.733   7.014  -0.721
  485    H    GLN  65           H        GLN  65  16.535   2.164   1.046
  486    HA   GLN  65           HA       GLN  65  14.738   1.461   3.146
  487   1HB   GLN  65          HB2       GLN  65  17.421   0.464   2.155
  488   2HB   GLN  65          HB3       GLN  65  16.720  -0.220   3.624
  489   1HG   GLN  65          HG2       GLN  65  14.761  -0.997   2.461
  490   2HG   GLN  65          HG3       GLN  65  15.225  -0.156   0.976
  491   1HE2  GLN  65          HE22      GLN  65  17.420  -0.800   0.073
  492   2HE2  GLN  65          HE21      GLN  65  17.843  -2.512   0.109
  493    H    LYS  66           H        LYS  66  17.857   3.241   3.186
  494    HA   LYS  66           HA       LYS  66  18.158   3.283   6.041
  495   1HB   LYS  66          HB2       LYS  66  19.948   3.912   4.551
  496   2HB   LYS  66          HB3       LYS  66  18.956   5.136   3.787
  497   1HG   LYS  66          HG2       LYS  66  18.950   6.420   5.992
  498   2HG   LYS  66          HG3       LYS  66  20.101   5.215   6.598
  499   1HD   LYS  66          HD2       LYS  66  21.368   7.108   5.799
  500   2HD   LYS  66          HD3       LYS  66  21.598   5.780   4.642
  501   1HE   LYS  66          HE2       LYS  66  19.816   6.795   3.184
  502   2HE   LYS  66          HE3       LYS  66  19.659   8.130   4.322
  503   1HZ   LYS  66          HZ1       LYS  66  21.062   8.478   2.317
  504   2HZ   LYS  66          HZ2       LYS  66  21.817   8.874   3.733
  505   3HZ   LYS  66          HZ3       LYS  66  22.198   7.487   2.944
  506    H    GLN  67           H        GLN  67  16.325   5.424   3.747
  507    HA   GLN  67           HA       GLN  67  15.166   7.020   5.848
  508   1HB   GLN  67          HB2       GLN  67  14.118   6.445   3.041
  509   2HB   GLN  67          HB3       GLN  67  13.473   7.640   4.169
  510   1HG   GLN  67          HG2       GLN  67  15.777   8.722   4.220
  511   2HG   GLN  67          HG3       GLN  67  16.262   7.617   2.938
  512   1HE2  GLN  67          HE22      GLN  67  16.408   8.831   1.028
  513   2HE2  GLN  67          HE21      GLN  67  15.199  10.005   0.557
  514    H    GLY  68           H        GLY  68  14.243   3.943   4.383
  515   1HA   GLY  68          HA2       GLY  68  13.504   2.357   6.208
  516   2HA   GLY  68          HA3       GLY  68  12.178   3.477   6.496
  517    H    CYS  69           H        CYS  69  12.715   3.554   3.207
  518    HA   CYS  69           HA       CYS  69  10.125   2.364   2.671
  519   1HB   CYS  69          HB2       CYS  69  12.295   3.751   1.067
  520   2HB   CYS  69          HB3       CYS  69  10.872   3.044   0.280
  521    HG   CYS  69           HG       CYS  69   9.097   4.378   1.364
  522    H    ASP  70           H        ASP  70   9.942   1.002   0.638
  523    HA   ASP  70           HA       ASP  70  12.095  -0.985   0.234
  524   1HB   ASP  70          HB2       ASP  70  10.419  -2.133   1.617
  525   2HB   ASP  70          HB3       ASP  70   9.123  -1.580   0.549
  526    H    CYS  71           H        CYS  71  12.085  -1.674  -2.080
  527    HA   CYS  71           HA       CYS  71  10.492   0.078  -3.842
  528   1HB   CYS  71          HB2       CYS  71  13.552   0.090  -3.845
  529   2HB   CYS  71          HB3       CYS  71  12.461   1.065  -4.837
  530    HG   CYS  71           HG       CYS  71  11.266   1.796  -2.329
  531    H    GLU  72           H        GLU  72  10.974  -0.229  -6.165
  532    HA   GLU  72           HA       GLU  72  12.180  -2.820  -6.965
  533   1HB   GLU  72          HB2       GLU  72   9.279  -1.991  -7.453
  534   2HB   GLU  72          HB3       GLU  72  10.096  -3.240  -8.373
  535   1HG   GLU  72          HG2       GLU  72   9.515  -3.306  -5.387
  536   2HG   GLU  72          HG3       GLU  72   8.630  -4.152  -6.649
  537    H    CYS  73           H        CYS  73  13.408  -2.352  -8.790
  538    HA   CYS  73           HA       CYS  73  13.109   0.118 -10.290
  539   1HB   CYS  73          HB2       CYS  73  14.638  -1.155 -11.910
  540   2HB   CYS  73          HB3       CYS  73  15.284  -0.733 -10.321
  541    HG   CYS  73           HG       CYS  73  13.862  -3.575 -11.211
  542    H    LEU  74           H        LEU  74  11.297   0.395 -11.570
  543    HA   LEU  74           HA       LEU  74   9.679  -1.873 -12.456
  544   1HB   LEU  74          HB2       LEU  74   9.546   1.093 -13.158
  545   2HB   LEU  74          HB3       LEU  74   8.356  -0.128 -13.594
  546    HG   LEU  74           HG       LEU  74   9.001   0.886 -10.800
  547   1HD1  LEU  74          HD11      LEU  74   6.448   0.949 -12.466
  548   2HD1  LEU  74          HD12      LEU  74   6.673   1.649 -10.852
  549   3HD1  LEU  74          HD13      LEU  74   7.565   2.309 -12.232
  550   1HD2  LEU  74          HD21      LEU  74   7.172  -1.422 -11.601
  551   2HD2  LEU  74          HD22      LEU  74   8.571  -1.483 -10.499
  552   3HD2  LEU  74          HD23      LEU  74   7.119  -0.610 -10.024
  553    H    GLY  75           H        GLY  75  12.317   0.063 -13.742
  554   1HA   GLY  75          HA2       GLY  75  13.097  -1.710 -15.723
  555   2HA   GLY  75          HA3       GLY  75  12.030  -0.542 -16.516
  556    H    GLY  76           H        GLY  76  14.248  -0.076 -17.595
  557   1HA   GLY  76          HA2       GLY  76  15.087   2.469 -16.521
  558   2HA   GLY  76          HA3       GLY  76  16.392   1.269 -16.497
  559    H    GLY  77           H        GLY  77  17.173   3.094 -18.015
  560   1HA   GLY  77          HA2       GLY  77  17.164   2.234 -20.743
  561   2HA   GLY  77          HA3       GLY  77  16.125   3.655 -20.525
  562    H    ARG  78           H        ARG  78  17.807   4.719 -21.917
  563    HA   ARG  78           HA       ARG  78  20.205   5.537 -20.334
  564   1HB   ARG  78          HB2       ARG  78  20.700   4.033 -22.324
  565   2HB   ARG  78          HB3       ARG  78  20.074   5.321 -23.367
  566   1HG   ARG  78          HG2       ARG  78  21.830   6.866 -22.446
  567   2HG   ARG  78          HG3       ARG  78  22.388   5.565 -21.390
  568   1HD   ARG  78          HD2       ARG  78  23.891   5.714 -23.206
  569   2HD   ARG  78          HD3       ARG  78  22.981   4.224 -23.385
  570    HE   ARG  78           HE       ARG  78  22.541   6.786 -24.910
  571   1HH1  ARG  78          HH21      ARG  78  22.287   3.224 -24.817
  572   2HH1  ARG  78          HH22      ARG  78  21.621   3.109 -26.422
  573   1HH2  ARG  78          HH11      ARG  78  21.690   6.563 -27.076
  574   2HH2  ARG  78          HH12      ARG  78  21.320   4.987 -27.699
  575    H    ILE  79           H        ILE  79  20.824   7.706 -20.559
  576    HA   ILE  79           HA       ILE  79  18.830   9.522 -21.770
  577    HB   ILE  79           HB       ILE  79  20.292   9.785 -19.114
  578   1HG1  ILE  79          HG12      ILE  79  17.365   9.596 -19.943
  579   2HG1  ILE  79          HG13      ILE  79  18.270   8.435 -18.987
  580   1HG2  ILE  79          HG21      ILE  79  19.249  12.054 -18.973
  581   2HG2  ILE  79          HG22      ILE  79  20.341  11.982 -20.336
  582   3HG2  ILE  79          HG23      ILE  79  18.585  11.863 -20.606
  583   1HD1  ILE  79          HD11      ILE  79  18.418  10.119 -17.136
  584   2HD1  ILE  79          HD12      ILE  79  17.350  11.187 -18.081
  585   3HD1  ILE  79          HD13      ILE  79  16.769   9.610 -17.540
  586    H    SER  80           H        SER  80  19.753  11.046 -23.073
  587    HA   SER  80           HA       SER  80  22.679  11.213 -23.387
  588   1HB   SER  80          HB2       SER  80  20.746   9.820 -25.302
  589   2HB   SER  80          HB3       SER  80  22.314  10.427 -25.833
  590    HG   SER  80           HG       SER  80  22.332   8.852 -23.550
  591    H    HIS  81           H        HIS  81  23.231  12.760 -25.099
  592    HA   HIS  81           HA       HIS  81  21.001  14.427 -26.107
  593   1HB   HIS  81          HB2       HIS  81  22.179  15.565 -24.203
  594   2HB   HIS  81          HB3       HIS  81  23.678  15.502 -25.130
  595    HD1  HIS  81           HD1      HIS  81  23.726  18.234 -25.165
  596    HD2  HIS  81           HD2      HIS  81  20.415  16.396 -27.003
  597    HE1  HIS  81           HE1      HIS  81  22.555  20.038 -26.528
  598    H    GLN  82           H        GLN  82  22.332  12.096 -27.230
  599    HA   GLN  82           HA       GLN  82  24.358  12.878 -29.108
  600   1HB   GLN  82          HB2       GLN  82  22.507  10.454 -29.013
  601   2HB   GLN  82          HB3       GLN  82  23.872  10.637 -30.121
  602   1HG   GLN  82          HG2       GLN  82  25.451  10.748 -28.241
  603   2HG   GLN  82          HG3       GLN  82  24.143  10.670 -27.076
  604   1HE2  GLN  82          HE22      GLN  82  23.725   8.606 -26.219
  605   2HE2  GLN  82          HE21      GLN  82  24.245   7.132 -27.010
  606    H    SER  83           H        SER  83  20.900  13.227 -29.091
  607    HA   SER  83           HA       SER  83  20.302  13.651 -31.778
  608   1HB   SER  83          HB2       SER  83  19.349  15.232 -29.367
  609   2HB   SER  83          HB3       SER  83  18.443  14.903 -30.861
  610    HG   SER  83           HG       SER  83  17.789  13.509 -29.185
  611    H    GLN  84           H        GLN  84  22.258  15.610 -29.580
  612    HA   GLN  84           HA       GLN  84  23.106  17.678 -29.611
  613   1HB   GLN  84          HB2       GLN  84  23.574  16.892 -32.504
  614   2HB   GLN  84          HB3       GLN  84  24.334  18.278 -31.719
  615   1HG   GLN  84          HG2       GLN  84  24.620  15.407 -30.709
  616   2HG   GLN  84          HG3       GLN  84  25.745  16.190 -31.805
  617   1HE2  GLN  84          HE22      GLN  84  24.633  16.055 -28.426
  618   2HE2  GLN  84          HE21      GLN  84  25.894  17.093 -27.801
  619    H    ASP  85           H        ASP  85  20.907  18.279 -29.101
  620    HA   ASP  85           HA       ASP  85  19.738  20.251 -31.005
  621   1HB   ASP  85          HB2       ASP  85  18.271  18.288 -30.794
  622   2HB   ASP  85          HB3       ASP  85  18.297  18.434 -29.038
  623    H    LYS  86           H        LYS  86  18.232  20.413 -27.987
  624    HA   LYS  86           HA       LYS  86  20.390  22.024 -26.703
  625   1HB   LYS  86          HB2       LYS  86  17.472  22.818 -27.133
  626   2HB   LYS  86          HB3       LYS  86  18.599  23.713 -26.127
  627   1HG   LYS  86          HG2       LYS  86  18.923  23.336 -29.131
  628   2HG   LYS  86          HG3       LYS  86  18.214  24.739 -28.339
  629   1HD   LYS  86          HD2       LYS  86  20.332  25.206 -27.164
  630   2HD   LYS  86          HD3       LYS  86  21.087  23.797 -27.935
  631   1HE   LYS  86          HE2       LYS  86  20.654  24.782 -30.170
  632   2HE   LYS  86          HE3       LYS  86  19.906  26.191 -29.408
  633   1HZ   LYS  86          HZ1       LYS  86  22.048  26.687 -28.378
  634   2HZ   LYS  86          HZ2       LYS  86  22.740  25.384 -29.084
  635   3HZ   LYS  86          HZ3       LYS  86  22.203  26.620 -29.997
  636    H    LYS  87           H        LYS  87  18.924  19.221 -26.227
  637    HA   LYS  87           HA       LYS  87  18.461  19.585 -23.366
  638   1HB   LYS  87          HB2       LYS  87  16.157  18.821 -23.409
  639   2HB   LYS  87          HB3       LYS  87  16.331  20.365 -24.240
  640   1HG   LYS  87          HG2       LYS  87  16.412  18.884 -26.425
  641   2HG   LYS  87          HG3       LYS  87  15.758  17.609 -25.386
  642   1HD   LYS  87          HD2       LYS  87  13.847  19.130 -24.795
  643   2HD   LYS  87          HD3       LYS  87  14.543  20.362 -25.874
  644   1HE   LYS  87          HE2       LYS  87  14.469  18.498 -27.699
  645   2HE   LYS  87          HE3       LYS  87  13.379  17.648 -26.594
  646   1HZ   LYS  87          HZ1       LYS  87  11.980  19.742 -26.659
  647   2HZ   LYS  87          HZ2       LYS  87  12.960  20.303 -27.837
  648   3HZ   LYS  87          HZ3       LYS  87  12.085  18.957 -28.103
  649    H    ILE  88           H        ILE  88  18.536  17.621 -22.225
  650    HA   ILE  88           HA       ILE  88  19.519  15.289 -23.653
  651    HB   ILE  88           HB       ILE  88  19.330  14.083 -21.563
  652   1HG1  ILE  88          HG12      ILE  88  17.872  16.525 -20.528
  653   2HG1  ILE  88          HG13      ILE  88  17.333  14.844 -20.589
  654   1HG2  ILE  88          HG21      ILE  88  21.296  15.534 -22.056
  655   2HG2  ILE  88          HG22      ILE  88  20.584  16.785 -21.008
  656   3HG2  ILE  88          HG23      ILE  88  21.034  15.182 -20.353
  657   1HD1  ILE  88          HD11      ILE  88  19.093  14.303 -18.858
  658   2HD1  ILE  88          HD12      ILE  88  19.413  16.047 -18.732
  659   3HD1  ILE  88          HD13      ILE  88  17.819  15.409 -18.310
  660    H    HIS  89           H        HIS  89  18.418  13.197 -23.642
  661    HA   HIS  89           HA       HIS  89  15.466  13.289 -23.950
  662   1HB   HIS  89          HB2       HIS  89  16.657  13.769 -26.110
  663   2HB   HIS  89          HB3       HIS  89  17.550  12.261 -25.935
  664    HD1  HIS  89           HD1      HIS  89  14.083  13.573 -26.891
  665    HD2  HIS  89           HD2      HIS  89  16.250   9.980 -26.526
  666    HE1  HIS  89           HE1      HIS  89  12.780  11.805 -28.193
  667    H    VAL  90           H        VAL  90  14.546  11.122 -23.766
  668    HA   VAL  90           HA       VAL  90  16.296   9.215 -22.264
  669    HB   VAL  90           HB       VAL  90  13.320   9.722 -21.855
  670   1HG1  VAL  90          HG11      VAL  90  15.401   8.358 -20.089
  671   2HG1  VAL  90          HG12      VAL  90  13.674   8.549 -19.728
  672   3HG1  VAL  90          HG13      VAL  90  14.185   7.536 -21.081
  673   1HG2  VAL  90          HG21      VAL  90  14.345  11.823 -21.244
  674   2HG2  VAL  90          HG22      VAL  90  13.937  10.953 -19.767
  675   3HG2  VAL  90          HG23      VAL  90  15.622  10.999 -20.325
  676    H    TYR  91           H        TYR  91  16.357   7.137 -23.132
  677    HA   TYR  91           HA       TYR  91  14.140   6.044 -24.635
  678   1HB   TYR  91          HB2       TYR  91  15.308   5.841 -26.792
  679   2HB   TYR  91          HB3       TYR  91  14.903   7.473 -26.377
  680    HD1  TYR  91           HD1      TYR  91  17.946   6.419 -24.608
  681    HD2  TYR  91           HD2      TYR  91  16.373   7.928 -28.337
  682    HE1  TYR  91           HE1      TYR  91  20.171   7.191 -25.226
  683    HE2  TYR  91           HE2      TYR  91  18.640   8.593 -29.026
  684    HH   TYR  91           HH       TYR  91  20.890   8.697 -28.421
  685    H    GLY  92           H        GLY  92  15.522   4.042 -26.057
  686   1HA   GLY  92          HA2       GLY  92  16.615   2.058 -25.802
  687   2HA   GLY  92          HA3       GLY  92  17.570   2.795 -24.507
  688    H    TYR  93           H        TYR  93  17.440   0.725 -23.466
  689    HA   TYR  93           HA       TYR  93  15.162   0.387 -21.690
  690   1HB   TYR  93          HB2       TYR  93  14.826  -1.974 -22.293
  691   2HB   TYR  93          HB3       TYR  93  14.414  -0.925 -23.635
  692    HD1  TYR  93           HD1      TYR  93  15.939  -0.773 -25.643
  693    HD2  TYR  93           HD2      TYR  93  16.553  -3.652 -22.488
  694    HE1  TYR  93           HE1      TYR  93  17.446  -2.067 -27.120
  695    HE2  TYR  93           HE2      TYR  93  18.059  -4.950 -23.951
  696    HH   TYR  93           HH       TYR  93  19.060  -5.100 -26.053
  697    H    SER  94           H        SER  94  15.796  -1.032 -19.870
  698    HA   SER  94           HA       SER  94  18.720  -1.278 -19.578
  699   1HB   SER  94          HB2       SER  94  18.292  -1.980 -17.324
  700   2HB   SER  94          HB3       SER  94  17.379  -0.508 -17.657
  701    HG   SER  94           HG       SER  94  15.514  -1.926 -17.979
  702    H    MET  95           H        MET  95  19.855  -3.177 -19.900
  703    HA   MET  95           HA       MET  95  18.516  -5.464 -21.038
  704   1HB   MET  95          HB2       MET  95  20.622  -6.540 -21.027
  705   2HB   MET  95          HB3       MET  95  20.899  -4.872 -21.487
  706   1HG   MET  95          HG2       MET  95  21.470  -6.164 -18.791
  707   2HG   MET  95          HG3       MET  95  22.651  -5.712 -20.001
  708   1HE   MET  95          HE1       MET  95  22.821  -1.819 -19.736
  709   2HE   MET  95          HE2       MET  95  23.531  -3.282 -20.454
  710   3HE   MET  95          HE3       MET  95  21.892  -2.768 -20.914
  711    H    ALA  96           H        ALA  96  19.296  -4.431 -17.764
  712    HA   ALA  96           HA       ALA  96  19.032  -7.004 -16.530
  713   1HB   ALA  96          HB1       ALA  96  20.408  -5.193 -15.588
  714   2HB   ALA  96          HB2       ALA  96  18.955  -4.190 -15.349
  715   3HB   ALA  96          HB3       ALA  96  19.157  -5.699 -14.438
  716    H    TYR  97           H        TYR  97  16.720  -4.237 -16.959
  717    HA   TYR  97           HA       TYR  97  14.609  -5.914 -15.683
  718   1HB   TYR  97          HB2       TYR  97  14.941  -2.928 -15.341
  719   2HB   TYR  97          HB3       TYR  97  13.891  -4.005 -14.440
  720    HD1  TYR  97           HD1      TYR  97  16.816  -2.131 -14.217
  721    HD2  TYR  97           HD2      TYR  97  15.308  -6.058 -13.251
  722    HE1  TYR  97           HE1      TYR  97  18.554  -2.367 -12.462
  723    HE2  TYR  97           HE2      TYR  97  17.058  -6.317 -11.525
  724    HH   TYR  97           HH       TYR  97  18.864  -5.335 -10.450
  725    H    GLY  98           H        GLY  98  15.403  -4.454 -18.605
  726   1HA   GLY  98          HA2       GLY  98  14.049  -4.361 -20.484
  727   2HA   GLY  98          HA3       GLY  98  12.598  -4.496 -19.483
  728    HA   PRO  99           HA       PRO  99  13.245  -0.018 -20.741
  729   1HB   PRO  99          HB2       PRO  99  10.884   0.365 -22.097
  730   2HB   PRO  99          HB3       PRO  99  12.375  -0.232 -22.873
  731   1HG   PRO  99          HG2       PRO  99  10.010  -1.837 -21.882
  732   2HG   PRO  99          HG3       PRO  99  10.908  -2.017 -23.420
  733   1HD   PRO  99          HD2       PRO  99  11.365  -3.604 -21.231
  734   2HD   PRO  99          HD3       PRO  99  12.672  -3.151 -22.363
  735    H    ALA 100           H        ALA 100  12.603   1.500 -19.334
  736    HA   ALA 100           HA       ALA 100  10.497   1.027 -17.344
  737   1HB   ALA 100          HB1       ALA 100  12.341   3.321 -18.097
  738   2HB   ALA 100          HB2       ALA 100  11.148   3.454 -16.790
  739   3HB   ALA 100          HB3       ALA 100  12.462   2.291 -16.661
  740    H    GLN 101           H        GLN 101   8.853   2.837 -17.056
  741    HA   GLN 101           HA       GLN 101   7.457   3.508 -19.562
  742   1HB   GLN 101          HB2       GLN 101   6.881   4.134 -16.628
  743   2HB   GLN 101          HB3       GLN 101   5.914   4.731 -17.984
  744   1HG   GLN 101          HG2       GLN 101   5.445   2.409 -18.692
  745   2HG   GLN 101          HG3       GLN 101   6.326   1.802 -17.275
  746   1HE2  GLN 101          HE22      GLN 101   5.497   2.760 -15.070
  747   2HE2  GLN 101          HE21      GLN 101   3.769   2.945 -14.917
  748    H    HIS 102           H        HIS 102   9.401   4.651 -20.415
  749    HA   HIS 102           HA       HIS 102  10.615   6.828 -19.174
  750   1HB   HIS 102          HB2       HIS 102  10.165   6.365 -22.138
  751   2HB   HIS 102          HB3       HIS 102  11.367   7.461 -21.448
  752    HD1  HIS 102           HD1      HIS 102  11.180   3.980 -22.657
  753    HD2  HIS 102           HD2      HIS 102  12.945   5.984 -19.413
  754    HE1  HIS 102           HE1      HIS 102  12.953   2.416 -21.692
  755    H    ALA 103           H        ALA 103   7.412   6.783 -20.525
  756    HA   ALA 103           HA       ALA 103   6.944   9.544 -20.941
  757   1HB   ALA 103          HB1       ALA 103   5.126   7.365 -19.788
  758   2HB   ALA 103          HB2       ALA 103   4.589   8.943 -20.407
  759   3HB   ALA 103          HB3       ALA 103   5.325   7.765 -21.511
  760    H    ILE 104           H        ILE 104   7.125   7.594 -17.923
  761    HA   ILE 104           HA       ILE 104   6.211   9.657 -16.132
  762    HB   ILE 104           HB       ILE 104   8.068   7.282 -15.628
  763   1HG1  ILE 104          HG12      ILE 104   5.783   6.624 -16.456
  764   2HG1  ILE 104          HG13      ILE 104   6.199   6.024 -14.860
  765   1HG2  ILE 104          HG21      ILE 104   8.398   8.806 -13.828
  766   2HG2  ILE 104          HG22      ILE 104   6.665   9.162 -13.697
  767   3HG2  ILE 104          HG23      ILE 104   7.286   7.571 -13.223
  768   1HD1  ILE 104          HD11      ILE 104   3.854   6.883 -15.076
  769   2HD1  ILE 104          HD12      ILE 104   4.793   7.621 -13.770
  770   3HD1  ILE 104          HD13      ILE 104   4.517   8.531 -15.284
  771    H    SER 105           H        SER 105   9.485   8.551 -17.250
  772    HA   SER 105           HA       SER 105  10.999  10.331 -15.790
  773   1HB   SER 105          HB2       SER 105  11.547   9.454 -18.650
  774   2HB   SER 105          HB3       SER 105  12.712   9.930 -17.420
  775    HG   SER 105           HG       SER 105  12.502   7.653 -17.491
  776    H    THR 106           H        THR 106   9.684  10.905 -19.145
  777    HA   THR 106           HA       THR 106  10.636  13.566 -19.213
  778    HB   THR 106           HB       THR 106   8.802  13.854 -21.003
  779    HG1  THR 106           HG1      THR 106   7.461  12.093 -20.306
  780   1HG2  THR 106          HG21      THR 106  10.821  11.576 -21.242
  781   2HG2  THR 106          HG22      THR 106  10.057  12.457 -22.582
  782   3HG2  THR 106          HG23      THR 106  11.168  13.297 -21.497
  783    H    GLU 107           H        GLU 107   7.466  12.353 -17.942
  784    HA   GLU 107           HA       GLU 107   6.385  14.940 -17.498
  785   1HB   GLU 107          HB2       GLU 107   5.842  12.184 -16.285
  786   2HB   GLU 107          HB3       GLU 107   5.055  13.635 -15.663
  787   1HG   GLU 107          HG2       GLU 107   4.191  14.172 -17.919
  788   2HG   GLU 107          HG3       GLU 107   4.946  12.721 -18.567
  789    H    LYS 108           H        LYS 108   8.241  12.788 -15.305
  790    HA   LYS 108           HA       LYS 108   8.100  14.600 -13.071
  791   1HB   LYS 108          HB2       LYS 108   9.973  12.267 -13.672
  792   2HB   LYS 108          HB3       LYS 108   9.817  13.059 -12.107
  793   1HG   LYS 108          HG2       LYS 108   7.575  11.531 -13.497
  794   2HG   LYS 108          HG3       LYS 108   8.627  10.924 -12.237
  795   1HD   LYS 108          HD2       LYS 108   7.627  13.224 -11.043
  796   2HD   LYS 108          HD3       LYS 108   6.297  12.800 -12.117
  797   1HE   LYS 108          HE2       LYS 108   5.934  11.745  -9.955
  798   2HE   LYS 108          HE3       LYS 108   6.281  10.486 -11.151
  799   1HZ   LYS 108          HZ1       LYS 108   7.585  10.112  -9.130
  800   2HZ   LYS 108          HZ2       LYS 108   8.606  10.525 -10.326
  801   3HZ   LYS 108          HZ3       LYS 108   8.215  11.630  -9.196
  802    H    ILE 109           H        ILE 109  10.672  13.936 -15.512
  803    HA   ILE 109           HA       ILE 109  12.595  15.669 -14.293
  804    HB   ILE 109           HB       ILE 109  12.309  14.652 -17.138
  805   1HG1  ILE 109          HG12      ILE 109  14.304  13.788 -14.986
  806   2HG1  ILE 109          HG13      ILE 109  12.772  12.973 -15.214
  807   1HG2  ILE 109          HG21      ILE 109  14.763  15.960 -15.886
  808   2HG2  ILE 109          HG22      ILE 109  14.646  15.306 -17.514
  809   3HG2  ILE 109          HG23      ILE 109  13.714  16.734 -17.098
  810   1HD1  ILE 109          HD11      ILE 109  14.458  11.716 -16.383
  811   2HD1  ILE 109          HD12      ILE 109  13.416  12.475 -17.601
  812   3HD1  ILE 109          HD13      ILE 109  15.028  13.138 -17.255
  813    H    LYS 110           H        LYS 110  10.037  16.295 -16.867
  814    HA   LYS 110           HA       LYS 110  10.837  19.041 -17.132
  815   1HB   LYS 110          HB2       LYS 110   8.181  17.646 -17.652
  816   2HB   LYS 110          HB3       LYS 110   8.443  19.373 -17.934
  817   1HG   LYS 110          HG2       LYS 110  10.307  18.873 -19.489
  818   2HG   LYS 110          HG3       LYS 110  10.087  17.149 -19.218
  819   1HD   LYS 110          HD2       LYS 110   9.042  17.663 -21.294
  820   2HD   LYS 110          HD3       LYS 110   7.750  17.340 -20.128
  821   1HE   LYS 110          HE2       LYS 110   7.458  19.812 -19.810
  822   2HE   LYS 110          HE3       LYS 110   8.747  20.111 -20.982
  823   1HZ   LYS 110          HZ1       LYS 110   6.567  20.287 -21.998
  824   2HZ   LYS 110          HZ2       LYS 110   7.351  19.024 -22.665
  825   3HZ   LYS 110          HZ3       LYS 110   6.165  18.770 -21.570
  826    H    ALA 111           H        ALA 111   8.609  17.454 -14.783
  827    HA   ALA 111           HA       ALA 111   7.668  19.869 -13.634
  828   1HB   ALA 111          HB1       ALA 111   7.017  18.490 -11.723
  829   2HB   ALA 111          HB2       ALA 111   6.626  17.662 -13.242
  830   3HB   ALA 111          HB3       ALA 111   8.039  17.159 -12.286
  831    H    LYS 112           H        LYS 112  10.546  17.856 -12.728
  832    HA   LYS 112           HA       LYS 112  11.321  19.719 -10.622
  833   1HB   LYS 112          HB2       LYS 112  11.667  17.227 -10.599
  834   2HB   LYS 112          HB3       LYS 112  12.859  17.410 -11.869
  835   1HG   LYS 112          HG2       LYS 112  14.044  17.241  -9.812
  836   2HG   LYS 112          HG3       LYS 112  14.173  18.917 -10.313
  837   1HD   LYS 112          HD2       LYS 112  12.406  19.553  -8.675
  838   2HD   LYS 112          HD3       LYS 112  12.175  17.847  -8.273
  839   1HE   LYS 112          HE2       LYS 112  13.506  18.804  -6.538
  840   2HE   LYS 112          HE3       LYS 112  14.544  17.729  -7.478
  841   1HZ   LYS 112          HZ1       LYS 112  15.451  19.701  -8.586
  842   2HZ   LYS 112          HZ2       LYS 112  14.465  20.687  -7.725
  843   3HZ   LYS 112          HZ3       LYS 112  15.626  19.832  -6.973
  844    H    TYR 113           H        TYR 113  11.910  19.500 -14.013
  845    HA   TYR 113           HA       TYR 113  13.284  20.298 -15.460
  846   1HB   TYR 113          HB2       TYR 113  13.554  22.760 -15.570
  847   2HB   TYR 113          HB3       TYR 113  11.933  22.136 -15.452
  848    HD1  TYR 113           HD1      TYR 113  10.518  22.518 -13.499
  849    HD2  TYR 113           HD2      TYR 113  14.511  24.134 -13.713
  850    HE1  TYR 113           HE1      TYR 113  10.003  24.025 -11.603
  851    HE2  TYR 113           HE2      TYR 113  14.010  25.647 -11.824
  852    HH   TYR 113           HH       TYR 113  12.415  26.342 -10.272
  853    HA   PRO 114           HA       PRO 114  17.378  19.981 -13.185
  854   1HB   PRO 114          HB2       PRO 114  17.496  17.487 -14.853
  855   2HB   PRO 114          HB3       PRO 114  18.073  17.747 -13.179
  856   1HG   PRO 114          HG2       PRO 114  15.819  16.310 -13.692
  857   2HG   PRO 114          HG3       PRO 114  15.886  17.445 -12.304
  858   1HD   PRO 114          HD2       PRO 114  14.716  17.951 -15.064
  859   2HD   PRO 114          HD3       PRO 114  14.005  18.235 -13.459
  860    H    ASP 115           H        ASP 115  15.909  19.518 -16.333
  861    HA   ASP 115           HA       ASP 115  17.901  21.195 -17.682
  862   1HB   ASP 115          HB2       ASP 115  18.276  18.754 -18.311
  863   2HB   ASP 115          HB3       ASP 115  16.633  18.729 -18.953
  864    H    TYR 116           H        TYR 116  16.719  22.313 -19.505
  865    HA   TYR 116           HA       TYR 116  14.433  23.549 -18.366
  866   1HB   TYR 116          HB2       TYR 116  15.472  23.694 -21.224
  867   2HB   TYR 116          HB3       TYR 116  14.349  24.823 -20.482
  868    HD1  TYR 116           HD1      TYR 116  17.853  23.944 -20.914
  869    HD2  TYR 116           HD2      TYR 116  15.108  26.234 -18.493
  870    HE1  TYR 116           HE1      TYR 116  19.741  25.295 -20.066
  871    HE2  TYR 116           HE2      TYR 116  16.995  27.593 -17.635
  872    HH   TYR 116           HH       TYR 116  20.397  27.044 -18.669
  873    H    GLU 117           H        GLU 117  14.679  20.960 -20.753
  874    HA   GLU 117           HA       GLU 117  11.921  20.218 -20.471
  875   1HB   GLU 117          HB2       GLU 117  11.715  21.966 -22.227
  876   2HB   GLU 117          HB3       GLU 117  12.986  21.185 -23.180
  877   1HG   GLU 117          HG2       GLU 117  11.529  19.232 -23.542
  878   2HG   GLU 117          HG3       GLU 117  10.297  19.923 -22.480
  879    H    VAL 118           H        VAL 118  11.714  18.031 -21.671
  880    HA   VAL 118           HA       VAL 118  14.118  16.864 -22.779
  881    HB   VAL 118           HB       VAL 118  13.874  14.778 -21.425
  882   1HG1  VAL 118          HG11      VAL 118  15.627  16.540 -20.984
  883   2HG1  VAL 118          HG12      VAL 118  14.645  17.095 -19.622
  884   3HG1  VAL 118          HG13      VAL 118  15.278  15.433 -19.646
  885   1HG2  VAL 118          HG21      VAL 118  12.383  16.432 -19.348
  886   2HG2  VAL 118          HG22      VAL 118  11.564  15.330 -20.464
  887   3HG2  VAL 118          HG23      VAL 118  12.769  14.696 -19.332
  888    H    THR 119           H        THR 119  13.499  14.781 -23.885
  889    HA   THR 119           HA       THR 119  10.606  14.361 -24.282
  890    HB   THR 119           HB       THR 119  11.179  14.086 -26.782
  891    HG1  THR 119           HG1      THR 119  12.896  15.409 -27.487
  892   1HG2  THR 119          HG21      THR 119  11.278  16.915 -25.652
  893   2HG2  THR 119          HG22      THR 119  10.761  16.424 -27.282
  894   3HG2  THR 119          HG23      THR 119   9.804  15.946 -25.872
  895    H    TRP 120           H        TRP 120  10.382  12.206 -25.656
  896    HA   TRP 120           HA       TRP 120  12.594  10.374 -25.181
  897   1HB   TRP 120          HB2       TRP 120  11.339   8.702 -24.060
  898   2HB   TRP 120          HB3       TRP 120  11.121  10.165 -23.127
  899    HD1  TRP 120           HD1      TRP 120   8.580  11.427 -23.938
  900    HE1  TRP 120           HE1      TRP 120   6.314  10.280 -24.041
  901    HE3  TRP 120           HE3      TRP 120  10.181   6.615 -24.561
  902    HZ2  TRP 120           HZ2      TRP 120   5.299   7.561 -24.286
  903    HZ3  TRP 120           HZ3      TRP 120   8.550   4.762 -24.682
  904    HH2  TRP 120           HH2      TRP 120   6.106   5.218 -24.551
  905    H    ALA 121           H        ALA 121  12.356   8.384 -26.383
  906    HA   ALA 121           HA       ALA 121  10.080   8.107 -28.160
  907   1HB   ALA 121          HB1       ALA 121  12.923   8.347 -29.289
  908   2HB   ALA 121          HB2       ALA 121  11.490   7.833 -30.204
  909   3HB   ALA 121          HB3       ALA 121  11.590   9.489 -29.575
  910    H    ASN 122           H        ASN 122   9.574   5.966 -28.010
  911    HA   ASN 122           HA       ASN 122  11.233   4.043 -26.687
  912   1HB   ASN 122          HB2       ASN 122   8.786   3.875 -26.773
  913   2HB   ASN 122          HB3       ASN 122   8.827   3.716 -28.530
  914   1HD2  ASN 122          HD22      ASN 122   9.978   2.080 -25.500
  915   2HD2  ASN 122          HD21      ASN 122   9.953   0.481 -26.188
  916    H    ASP 123           H        ASP 123  11.018   5.065 -30.031
  917    HA   ASP 123           HA       ASP 123  12.132   2.820 -31.345
  918   1HB   ASP 123          HB2       ASP 123  10.968   4.667 -32.481
  919   2HB   ASP 123          HB3       ASP 123  12.252   5.784 -31.997
  920    H    GLY 124           H        GLY 124  13.695   5.434 -29.542
  921   1HA   GLY 124          HA2       GLY 124  16.318   5.110 -30.731
  922   2HA   GLY 124          HA3       GLY 124  15.927   6.036 -29.288
  923    H    TYR 125           H        TYR 125  18.235   4.298 -29.670
  924    HA   TYR 125           HA       TYR 125  18.038   2.562 -27.367
  925   1HB   TYR 125          HB2       TYR 125  18.746   0.545 -28.515
  926   2HB   TYR 125          HB3       TYR 125  17.193   1.060 -29.133
  927    HD1  TYR 125           HD1      TYR 125  20.775   0.606 -29.912
  928    HD2  TYR 125           HD2      TYR 125  16.966   1.919 -31.448
  929    HE1  TYR 125           HE1      TYR 125  21.684   0.529 -32.217
  930    HE2  TYR 125           HE2      TYR 125  17.858   1.850 -33.754
  931    HH   TYR 125           HH       TYR 125  19.711   1.398 -35.097
  Start of MODEL   20
    1   1H    MET   1          H1        MET   1  12.411  10.303  16.458
    2   2H    MET   1          H2        MET   1  13.984  10.229  16.922
    3   3H    MET   1          H3        MET   1  13.357  11.629  16.345
    4    HA   MET   1           HA       MET   1  14.720  10.623  14.673
    5   1HB   MET   1          HB2       MET   1  14.484   8.290  15.434
    6   2HB   MET   1          HB3       MET   1  12.792   8.270  14.934
    7   1HG   MET   1          HG2       MET   1  14.263   7.163  13.297
    8   2HG   MET   1          HG3       MET   1  13.404   8.528  12.608
    9   1HE   MET   1          HE1       MET   1  17.965   8.286  13.411
   10   2HE   MET   1          HE2       MET   1  16.806   8.240  14.755
   11   3HE   MET   1          HE3       MET   1  16.815   6.938  13.542
   12    H    ALA   2           H        ALA   2  14.262  11.831  12.903
   13    HA   ALA   2           HA       ALA   2  11.607  12.798  12.320
   14   1HB   ALA   2          HB1       ALA   2  13.651  14.086  11.778
   15   2HB   ALA   2          HB2       ALA   2  14.161  12.812  10.640
   16   3HB   ALA   2          HB3       ALA   2  12.696  13.762  10.319
   17    H    VAL   3           H        VAL   3  10.296  12.271  10.500
   18    HA   VAL   3           HA       VAL   3  10.791   9.615   9.247
   19    HB   VAL   3           HB       VAL   3   8.080  10.672  10.154
   20   1HG1  VAL   3          HG11      VAL   3   8.988   7.909   9.218
   21   2HG1  VAL   3          HG12      VAL   3   7.365   8.313   9.808
   22   3HG1  VAL   3          HG13      VAL   3   7.961   9.039   8.320
   23   1HG2  VAL   3          HG21      VAL   3   8.133   8.979  11.961
   24   2HG2  VAL   3          HG22      VAL   3   9.839   8.651  11.603
   25   3HG2  VAL   3          HG23      VAL   3   9.334  10.243  12.203
   26    H    ALA   4           H        ALA   4  10.929   9.852   7.093
   27    HA   ALA   4           HA       ALA   4  10.163  12.284   5.710
   28   1HB   ALA   4          HB1       ALA   4  12.098  10.876   5.015
   29   2HB   ALA   4          HB2       ALA   4  10.979   9.558   4.598
   30   3HB   ALA   4          HB3       ALA   4  10.925  11.089   3.709
   31    H    ASP   5           H        ASP   5   8.858  11.770   3.515
   32    HA   ASP   5           HA       ASP   5   6.616   9.942   3.796
   33   1HB   ASP   5          HB2       ASP   5   5.724  11.935   4.972
   34   2HB   ASP   5          HB3       ASP   5   6.203  12.964   3.620
   35    H    LEU   6           H        LEU   6   5.574   9.765   1.585
   36    HA   LEU   6           HA       LEU   6   7.519   9.840  -0.467
   37   1HB   LEU   6          HB2       LEU   6   4.478   9.635  -0.595
   38   2HB   LEU   6          HB3       LEU   6   5.539   9.421  -1.962
   39    HG   LEU   6           HG       LEU   6   5.199   7.627   0.433
   40   1HD1  LEU   6          HD11      LEU   6   5.182   7.184  -2.589
   41   2HD1  LEU   6          HD12      LEU   6   4.873   5.943  -1.365
   42   3HD1  LEU   6          HD13      LEU   6   3.750   7.303  -1.541
   43   1HD2  LEU   6          HD21      LEU   6   7.596   7.676   0.277
   44   2HD2  LEU   6          HD22      LEU   6   7.037   6.174  -0.448
   45   3HD2  LEU   6          HD23      LEU   6   7.546   7.508  -1.500
   46    H    ALA   7           H        ALA   7   5.207  12.395   0.523
   47    HA   ALA   7           HA       ALA   7   5.551  13.940  -1.853
   48   1HB   ALA   7          HB1       ALA   7   3.694  14.294  -0.258
   49   2HB   ALA   7          HB2       ALA   7   4.860  14.830   0.978
   50   3HB   ALA   7          HB3       ALA   7   4.632  15.780  -0.503
   51    H    LEU   8           H        LEU   8   7.575  13.398   0.966
   52    HA   LEU   8           HA       LEU   8   9.142  15.870   0.588
   53   1HB   LEU   8          HB2       LEU   8   9.365  13.641   2.650
   54   2HB   LEU   8          HB3       LEU   8  10.327  15.110   2.630
   55    HG   LEU   8           HG       LEU   8   7.298  15.020   2.989
   56   1HD1  LEU   8          HD11      LEU   8   9.525  15.515   5.010
   57   2HD1  LEU   8          HD12      LEU   8   7.781  15.635   5.326
   58   3HD1  LEU   8          HD13      LEU   8   8.490  14.072   4.914
   59   1HD2  LEU   8          HD21      LEU   8   7.957  17.146   1.971
   60   2HD2  LEU   8          HD22      LEU   8   7.546  17.404   3.666
   61   3HD2  LEU   8          HD23      LEU   8   9.253  17.355   3.173
   62    H    ILE   9           H        ILE   9   9.429  12.345   0.058
   63    HA   ILE   9           HA       ILE   9  12.216  12.223  -0.375
   64    HB   ILE   9           HB       ILE   9   9.962  10.620  -1.642
   65   1HG1  ILE   9          HG12      ILE   9  11.898  10.028   0.665
   66   2HG1  ILE   9          HG13      ILE   9  10.207  10.473   0.853
   67   1HG2  ILE   9          HG21      ILE   9  11.687   8.946  -2.254
   68   2HG2  ILE   9          HG22      ILE   9  11.965  10.461  -3.085
   69   3HG2  ILE   9          HG23      ILE   9  12.960  10.043  -1.676
   70   1HD1  ILE   9          HD11      ILE   9  10.218   8.156   1.120
   71   2HD1  ILE   9          HD12      ILE   9   9.645   8.400  -0.547
   72   3HD1  ILE   9          HD13      ILE   9  11.323   7.893  -0.239
   73    HA   PRO  10           HA       PRO  10  12.379  14.993  -3.994
   74   1HB   PRO  10          HB2       PRO  10  14.969  13.502  -4.460
   75   2HB   PRO  10          HB3       PRO  10  14.655  15.264  -4.534
   76   1HG   PRO  10          HG2       PRO  10  15.877  14.173  -2.370
   77   2HG   PRO  10          HG3       PRO  10  14.617  15.431  -2.154
   78   1HD   PRO  10          HD2       PRO  10  14.340  12.431  -1.875
   79   2HD   PRO  10          HD3       PRO  10  13.699  13.735  -0.830
   80    H    ASP  11           H        ASP  11  11.631  14.671  -6.103
   81    HA   ASP  11           HA       ASP  11  10.994  11.934  -6.873
   82   1HB   ASP  11          HB2       ASP  11  10.324  14.670  -7.962
   83   2HB   ASP  11          HB3       ASP  11  10.058  13.227  -8.941
   84    H    VAL  12           H        VAL  12  13.269  14.448  -8.035
   85    HA   VAL  12           HA       VAL  12  14.453  12.450  -9.911
   86    HB   VAL  12           HB       VAL  12  13.815  15.354 -10.533
   87   1HG1  VAL  12          HG11      VAL  12  14.858  13.158 -12.373
   88   2HG1  VAL  12          HG12      VAL  12  14.478  14.842 -12.819
   89   3HG1  VAL  12          HG13      VAL  12  15.819  14.514 -11.738
   90   1HG2  VAL  12          HG21      VAL  12  12.238  14.415 -12.237
   91   2HG2  VAL  12          HG22      VAL  12  12.395  12.836 -11.440
   92   3HG2  VAL  12          HG23      VAL  12  11.710  14.228 -10.569
   93    H    ASP  13           H        ASP  13  16.638  12.487  -9.937
   94    HA   ASP  13           HA       ASP  13  18.154  14.869  -9.393
   95   1HB   ASP  13          HB2       ASP  13  17.958  14.112  -7.062
   96   2HB   ASP  13          HB3       ASP  13  18.457  12.481  -7.519
   97    H    ILE  14           H        ILE  14  19.477  14.741 -11.163
   98    HA   ILE  14           HA       ILE  14  20.618  12.176 -11.994
   99    HB   ILE  14           HB       ILE  14  19.897  12.550 -14.344
  100   1HG1  ILE  14          HG12      ILE  14  17.836  14.528 -13.256
  101   2HG1  ILE  14          HG13      ILE  14  19.279  14.982 -14.172
  102   1HG2  ILE  14          HG21      ILE  14  17.472  12.170 -12.545
  103   2HG2  ILE  14          HG22      ILE  14  17.773  11.459 -14.146
  104   3HG2  ILE  14          HG23      ILE  14  18.745  10.960 -12.767
  105   1HD1  ILE  14          HD11      ILE  14  18.443  13.619 -16.100
  106   2HD1  ILE  14          HD12      ILE  14  16.947  13.312 -15.187
  107   3HD1  ILE  14          HD13      ILE  14  17.371  14.963 -15.647
  108    H    ASP  15           H        ASP  15  22.470  12.454 -13.367
  109    HA   ASP  15           HA       ASP  15  23.334  15.160 -14.098
  110   1HB   ASP  15          HB2       ASP  15  24.184  15.118 -11.809
  111   2HB   ASP  15          HB3       ASP  15  24.901  13.523 -12.064
  112    H    SER  16           H        SER  16  23.886  14.790 -16.200
  113    HA   SER  16           HA       SER  16  25.841  12.758 -16.904
  114   1HB   SER  16          HB2       SER  16  22.943  12.609 -17.873
  115   2HB   SER  16          HB3       SER  16  24.287  11.731 -18.621
  116    HG   SER  16           HG       SER  16  24.119  11.475 -15.885
  117    H    ASP  17           H        ASP  17  26.528  13.017 -19.134
  118    HA   ASP  17           HA       ASP  17  25.477  15.126 -20.812
  119   1HB   ASP  17          HB2       ASP  17  27.074  16.442 -19.504
  120   2HB   ASP  17          HB3       ASP  17  28.320  15.207 -19.724
  121    H    GLY  18           H        GLY  18  26.494  14.814 -23.027
  122   1HA   GLY  18          HA2       GLY  18  27.019  13.373 -24.765
  123   2HA   GLY  18          HA3       GLY  18  27.936  12.373 -23.625
  124    H    VAL  19           H        VAL  19  26.993  10.452 -22.909
  125    HA   VAL  19           HA       VAL  19  24.101  10.057 -23.016
  126    HB   VAL  19           HB       VAL  19  26.020   8.203 -24.507
  127   1HG1  VAL  19          HG11      VAL  19  24.118   7.021 -23.465
  128   2HG1  VAL  19          HG12      VAL  19  22.981   8.115 -24.283
  129   3HG1  VAL  19          HG13      VAL  19  24.000   7.005 -25.227
  130   1HG2  VAL  19          HG21      VAL  19  25.683  10.159 -25.924
  131   2HG2  VAL  19          HG22      VAL  19  24.766   8.804 -26.573
  132   3HG2  VAL  19          HG23      VAL  19  23.924  10.080 -25.670
  133    H    PHE  20           H        PHE  20  23.530   8.803 -21.220
  134    HA   PHE  20           HA       PHE  20  25.347   6.875 -20.027
  135   1HB   PHE  20          HB2       PHE  20  24.664   9.460 -18.600
  136   2HB   PHE  20          HB3       PHE  20  24.984   7.999 -17.694
  137    HD1  PHE  20           HD1      PHE  20  27.209   6.694 -18.240
  138    HD2  PHE  20           HD2      PHE  20  26.520  10.859 -19.112
  139    HE1  PHE  20           HE1      PHE  20  29.656   7.089 -18.296
  140    HE2  PHE  20           HE2      PHE  20  28.969  11.252 -19.171
  141    HZ   PHE  20           HZ       PHE  20  30.544   9.367 -18.766
  142    H    LYS  21           H        LYS  21  24.140   5.965 -17.933
  143    HA   LYS  21           HA       LYS  21  21.491   5.222 -19.032
  144   1HB   LYS  21          HB2       LYS  21  23.346   3.856 -17.042
  145   2HB   LYS  21          HB3       LYS  21  21.787   3.215 -17.571
  146   1HG   LYS  21          HG2       LYS  21  22.546   2.998 -19.867
  147   2HG   LYS  21          HG3       LYS  21  24.072   3.821 -19.498
  148   1HD   LYS  21          HD2       LYS  21  24.661   2.018 -17.904
  149   2HD   LYS  21          HD3       LYS  21  23.189   1.137 -18.360
  150   1HE   LYS  21          HE2       LYS  21  23.972   1.021 -20.708
  151   2HE   LYS  21          HE3       LYS  21  25.399   1.981 -20.292
  152   1HZ   LYS  21          HZ1       LYS  21  25.980  -0.324 -20.351
  153   2HZ   LYS  21          HZ2       LYS  21  26.077   0.174 -18.792
  154   3HZ   LYS  21          HZ3       LYS  21  24.807  -0.743 -19.299
  155    H    TYR  22           H        TYR  22  19.753   4.627 -17.501
  156    HA   TYR  22           HA       TYR  22  19.786   5.967 -14.896
  157   1HB   TYR  22          HB2       TYR  22  18.430   7.668 -15.385
  158   2HB   TYR  22          HB3       TYR  22  18.823   7.397 -17.059
  159    HD1  TYR  22           HD1      TYR  22  16.214   7.654 -14.663
  160    HD2  TYR  22           HD2      TYR  22  17.298   5.598 -18.286
  161    HE1  TYR  22           HE1      TYR  22  13.842   7.026 -15.007
  162    HE2  TYR  22           HE2      TYR  22  14.948   4.891 -18.592
  163    HH   TYR  22           HH       TYR  22  12.324   5.993 -16.402
  164    H    VAL  23           H        VAL  23  17.559   5.495 -13.792
  165    HA   VAL  23           HA       VAL  23  16.285   3.012 -14.656
  166    HB   VAL  23           HB       VAL  23  18.288   2.431 -13.206
  167   1HG1  VAL  23          HG11      VAL  23  16.630   3.632 -10.950
  168   2HG1  VAL  23          HG12      VAL  23  18.136   2.716 -10.785
  169   3HG1  VAL  23          HG13      VAL  23  18.129   4.305 -11.586
  170   1HG2  VAL  23          HG21      VAL  23  16.468   0.848 -13.506
  171   2HG2  VAL  23          HG22      VAL  23  17.159   0.740 -11.886
  172   3HG2  VAL  23          HG23      VAL  23  15.593   1.546 -12.125
  173    H    LEU  24           H        LEU  24  14.201   2.728 -13.577
  174    HA   LEU  24           HA       LEU  24  13.100   5.214 -12.337
  175   1HB   LEU  24          HB2       LEU  24  12.277   4.701 -14.678
  176   2HB   LEU  24          HB3       LEU  24  11.709   3.145 -14.097
  177    HG   LEU  24           HG       LEU  24  10.175   4.431 -12.471
  178   1HD1  LEU  24          HD11      LEU  24  11.384   6.606 -12.527
  179   2HD1  LEU  24          HD12      LEU  24  10.977   6.779 -14.249
  180   3HD1  LEU  24          HD13      LEU  24   9.704   6.772 -13.013
  181   1HD2  LEU  24          HD21      LEU  24   8.520   4.951 -14.189
  182   2HD2  LEU  24          HD22      LEU  24   9.772   4.932 -15.447
  183   3HD2  LEU  24          HD23      LEU  24   9.349   3.437 -14.569
  184    H    ILE  25           H        ILE  25  12.546   4.741 -10.157
  185    HA   ILE  25           HA       ILE  25  11.930   1.892  -9.598
  186    HB   ILE  25           HB       ILE  25  13.437   1.566  -8.138
  187   1HG1  ILE  25          HG12      ILE  25  13.420   4.336  -6.940
  188   2HG1  ILE  25          HG13      ILE  25  12.350   3.033  -6.428
  189   1HG2  ILE  25          HG21      ILE  25  15.601   2.656  -8.320
  190   2HG2  ILE  25          HG22      ILE  25  14.847   2.559  -9.907
  191   3HG2  ILE  25          HG23      ILE  25  14.855   4.104  -9.003
  192   1HD1  ILE  25          HD11      ILE  25  15.365   3.049  -6.181
  193   2HD1  ILE  25          HD12      ILE  25  14.154   3.097  -4.894
  194   3HD1  ILE  25          HD13      ILE  25  14.325   1.630  -5.880
  195    H    ARG  26           H        ARG  26  10.251   1.427  -8.410
  196    HA   ARG  26           HA       ARG  26   8.394   3.575  -7.633
  197   1HB   ARG  26          HB2       ARG  26   7.579   1.500  -8.664
  198   2HB   ARG  26          HB3       ARG  26   8.258   0.532  -7.359
  199   1HG   ARG  26          HG2       ARG  26   6.690   1.308  -5.775
  200   2HG   ARG  26          HG3       ARG  26   6.287   2.753  -6.709
  201   1HD   ARG  26          HD2       ARG  26   5.614  -0.062  -7.649
  202   2HD   ARG  26          HD3       ARG  26   4.508   0.955  -6.698
  203    HE   ARG  26           HE       ARG  26   5.247   2.625  -8.720
  204   1HH1  ARG  26          HH21      ARG  26   3.742  -0.600  -8.731
  205   2HH1  ARG  26          HH22      ARG  26   2.948  -0.367 -10.243
  206   1HH2  ARG  26          HH11      ARG  26   4.248   2.939 -10.702
  207   2HH2  ARG  26          HH12      ARG  26   3.227   1.711 -11.391
  208    H    VAL  27           H        VAL  27   7.954   4.060  -5.479
  209    HA   VAL  27           HA       VAL  27   9.621   2.863  -3.323
  210    HB   VAL  27           HB       VAL  27   8.788   5.780  -3.609
  211   1HG1  VAL  27          HG11      VAL  27   9.230   5.009  -1.300
  212   2HG1  VAL  27          HG12      VAL  27  10.875   4.545  -1.791
  213   3HG1  VAL  27          HG13      VAL  27  10.372   6.244  -1.846
  214   1HG2  VAL  27          HG21      VAL  27  11.081   6.407  -4.150
  215   2HG2  VAL  27          HG22      VAL  27  11.523   4.684  -4.308
  216   3HG2  VAL  27          HG23      VAL  27  10.353   5.440  -5.422
  217    H    HIS  28           H        HIS  28   8.191   1.954  -1.870
  218    HA   HIS  28           HA       HIS  28   5.326   2.758  -1.854
  219   1HB   HIS  28          HB2       HIS  28   6.824   0.574  -0.359
  220   2HB   HIS  28          HB3       HIS  28   5.077   0.811  -0.397
  221    HD1  HIS  28           HD1      HIS  28   4.234   0.868  -3.302
  222    HD2  HIS  28           HD2      HIS  28   7.562  -1.335  -1.951
  223    HE1  HIS  28           HE1      HIS  28   4.636  -0.959  -5.024
  224    H    SER  29           H        SER  29   4.340   3.584   0.008
  225    HA   SER  29           HA       SER  29   5.862   5.297   1.710
  226   1HB   SER  29          HB2       SER  29   3.039   4.262   2.118
  227   2HB   SER  29          HB3       SER  29   3.760   5.682   2.881
  228    HG   SER  29           HG       SER  29   3.212   5.266   0.117
  229    H    ALA  30           H        ALA  30   7.458   4.083   2.817
  230    HA   ALA  30           HA       ALA  30   6.386   2.941   5.286
  231   1HB   ALA  30          HB1       ALA  30   8.426   1.378   3.650
  232   2HB   ALA  30          HB2       ALA  30   7.780   0.939   5.238
  233   3HB   ALA  30          HB3       ALA  30   6.712   0.968   3.833
  234    HA   PRO  31           HA       PRO  31  10.634   5.440   5.653
  235   1HB   PRO  31          HB2       PRO  31   8.544   7.516   6.360
  236   2HB   PRO  31          HB3       PRO  31  10.286   7.763   5.993
  237   1HG   PRO  31          HG2       PRO  31   8.458   8.091   4.025
  238   2HG   PRO  31          HG3       PRO  31   9.952   7.167   3.690
  239   1HD   PRO  31          HD2       PRO  31   7.175   6.135   4.241
  240   2HD   PRO  31          HD3       PRO  31   8.418   5.525   3.114
  241    H    ARG  32           H        ARG  32  11.526   5.187   7.544
  242    HA   ARG  32           HA       ARG  32  11.909   4.145   9.491
  243   1HB   ARG  32          HB2       ARG  32   9.933   6.186  10.545
  244   2HB   ARG  32          HB3       ARG  32  11.279   5.468  11.421
  245   1HG   ARG  32          HG2       ARG  32  11.548   7.352   9.027
  246   2HG   ARG  32          HG3       ARG  32  11.722   7.768  10.732
  247   1HD   ARG  32          HD2       ARG  32  13.671   6.190  10.866
  248   2HD   ARG  32          HD3       ARG  32  13.534   5.964   9.109
  249    HE   ARG  32           HE       ARG  32  13.648   8.738  10.105
  250   1HH1  ARG  32          HH11      ARG  32  15.543   6.080   8.653
  251   2HH1  ARG  32          HH12      ARG  32  16.867   7.091   8.233
  252   1HH2  ARG  32          HH21      ARG  32  15.364  10.062   9.481
  253   2HH2  ARG  32          HH22      ARG  32  16.743   9.426   8.665
  254    H    SER  33           H        SER  33   9.654   2.844   8.035
  255    HA   SER  33           HA       SER  33   8.026   1.360   8.288
  256   1HB   SER  33          HB2       SER  33   9.339   0.690  10.945
  257   2HB   SER  33          HB3       SER  33   8.338  -0.374   9.943
  258    HG   SER  33           HG       SER  33  10.584  -0.745   9.655
  259    H    GLY  34           H        GLY  34   7.402   4.070   9.197
  260   1HA   GLY  34          HA2       GLY  34   5.061   3.484  10.934
  261   2HA   GLY  34          HA3       GLY  34   6.265   4.670  11.468
  262    H    ALA  35           H        ALA  35   5.664   4.426   8.031
  263    HA   ALA  35           HA       ALA  35   4.709   7.113   7.800
  264   1HB   ALA  35          HB1       ALA  35   5.963   5.957   6.044
  265   2HB   ALA  35          HB2       ALA  35   4.630   4.791   5.819
  266   3HB   ALA  35          HB3       ALA  35   4.398   6.507   5.419
  267    HA   PRO  36           HA       PRO  36   0.489   6.466   8.730
  268   1HB   PRO  36          HB2       PRO  36  -0.779   8.589   7.576
  269   2HB   PRO  36          HB3       PRO  36   0.466   8.787   8.845
  270   1HG   PRO  36          HG2       PRO  36   0.853   8.936   5.832
  271   2HG   PRO  36          HG3       PRO  36   1.358  10.136   7.070
  272   1HD   PRO  36          HD2       PRO  36   3.079   8.256   6.126
  273   2HD   PRO  36          HD3       PRO  36   3.096   8.741   7.847
  274    H    ALA  37           H        ALA  37   1.394   5.741   5.544
  275    HA   ALA  37           HA       ALA  37  -1.250   4.691   4.795
  276   1HB   ALA  37          HB1       ALA  37  -1.283   5.990   2.701
  277   2HB   ALA  37          HB2       ALA  37  -1.233   7.094   4.086
  278   3HB   ALA  37          HB3       ALA  37   0.244   6.790   3.146
  279    H    ALA  38           H        ALA  38  -0.892   3.835   2.363
  280    HA   ALA  38           HA       ALA  38   1.795   2.649   1.989
  281   1HB   ALA  38          HB1       ALA  38   0.423   0.957   3.163
  282   2HB   ALA  38          HB2       ALA  38  -0.791   1.061   1.862
  283   3HB   ALA  38          HB3       ALA  38   0.854   0.473   1.513
  284    H    GLU  39           H        GLU  39   0.741   4.948   0.786
  285    HA   GLU  39           HA       GLU  39  -0.089   4.241  -1.920
  286   1HB   GLU  39          HB2       GLU  39   0.970   6.841  -0.704
  287   2HB   GLU  39          HB3       GLU  39   0.407   6.665  -2.371
  288   1HG   GLU  39          HG2       GLU  39  -1.837   5.961  -1.519
  289   2HG   GLU  39          HG3       GLU  39  -1.289   6.271   0.129
  290    H    SER  40           H        SER  40   1.495   5.192  -3.743
  291    HA   SER  40           HA       SER  40   4.312   4.606  -3.095
  292   1HB   SER  40          HB2       SER  40   2.958   3.428  -5.535
  293   2HB   SER  40          HB3       SER  40   4.604   3.144  -4.956
  294    HG   SER  40           HG       SER  40   2.177   2.367  -3.693
  295    H    LYS  41           H        LYS  41   5.783   5.382  -4.774
  296    HA   LYS  41           HA       LYS  41   4.721   7.287  -6.761
  297   1HB   LYS  41          HB2       LYS  41   6.260   9.041  -6.175
  298   2HB   LYS  41          HB3       LYS  41   5.347   8.659  -4.717
  299   1HG   LYS  41          HG2       LYS  41   7.234   7.290  -3.885
  300   2HG   LYS  41          HG3       LYS  41   8.184   7.652  -5.330
  301   1HD   LYS  41          HD2       LYS  41   7.272   9.664  -3.278
  302   2HD   LYS  41          HD3       LYS  41   8.893   8.950  -3.398
  303   1HE   LYS  41          HE2       LYS  41   9.472  10.129  -5.255
  304   2HE   LYS  41          HE3       LYS  41   7.808  10.347  -5.820
  305   1HZ   LYS  41          HZ1       LYS  41   9.248  11.942  -3.813
  306   2HZ   LYS  41          HZ2       LYS  41   8.360  12.445  -5.081
  307   3HZ   LYS  41          HZ3       LYS  41   7.629  11.847  -3.728
  308    H    GLU  42           H        GLU  42   6.517   7.807  -8.362
  309    HA   GLU  42           HA       GLU  42   8.591   5.665  -8.485
  310   1HB   GLU  42          HB2       GLU  42   7.008   7.112 -10.629
  311   2HB   GLU  42          HB3       GLU  42   8.678   6.649 -10.934
  312   1HG   GLU  42          HG2       GLU  42   7.404   4.923 -11.826
  313   2HG   GLU  42          HG3       GLU  42   8.135   4.287 -10.359
  314    H    ILE  43           H        ILE  43  10.685   6.395  -8.416
  315    HA   ILE  43           HA       ILE  43  11.170   9.317  -8.786
  316    HB   ILE  43           HB       ILE  43  13.158   9.074  -7.400
  317   1HG1  ILE  43          HG12      ILE  43  12.182   6.284  -6.705
  318   2HG1  ILE  43          HG13      ILE  43  13.577   6.643  -7.721
  319   1HG2  ILE  43          HG21      ILE  43  10.942   9.798  -6.520
  320   2HG2  ILE  43          HG22      ILE  43  10.677   8.155  -5.897
  321   3HG2  ILE  43          HG23      ILE  43  12.016   9.155  -5.277
  322   1HD1  ILE  43          HD11      ILE  43  13.327   7.380  -4.776
  323   2HD1  ILE  43          HD12      ILE  43  14.278   6.065  -5.466
  324   3HD1  ILE  43          HD13      ILE  43  14.712   7.747  -5.832
  325    H    VAL  44           H        VAL  44  13.087   9.903  -9.838
  326    HA   VAL  44           HA       VAL  44  13.962   7.956 -11.936
  327    HB   VAL  44           HB       VAL  44  13.564  10.983 -11.975
  328   1HG1  VAL  44          HG11      VAL  44  13.969  10.877 -14.387
  329   2HG1  VAL  44          HG12      VAL  44  15.396  10.347 -13.494
  330   3HG1  VAL  44          HG13      VAL  44  14.336   9.150 -14.272
  331   1HG2  VAL  44          HG21      VAL  44  11.391   9.785 -12.022
  332   2HG2  VAL  44          HG22      VAL  44  11.740  10.581 -13.556
  333   3HG2  VAL  44          HG23      VAL  44  11.964   8.831 -13.410
  334    H    ARG  45           H        ARG  45  16.127   7.475 -11.818
  335    HA   ARG  45           HA       ARG  45  18.020   9.499 -10.749
  336   1HB   ARG  45          HB2       ARG  45  17.882   6.560  -9.902
  337   2HB   ARG  45          HB3       ARG  45  19.230   7.631  -9.548
  338   1HG   ARG  45          HG2       ARG  45  16.382   7.942  -8.516
  339   2HG   ARG  45          HG3       ARG  45  17.745   7.345  -7.608
  340   1HD   ARG  45          HD2       ARG  45  18.363   9.361  -6.957
  341   2HD   ARG  45          HD3       ARG  45  18.527   9.898  -8.621
  342    HE   ARG  45           HE       ARG  45  16.233  10.507  -8.694
  343   1HH1  ARG  45          HH21      ARG  45  17.417   9.970  -5.379
  344   2HH1  ARG  45          HH22      ARG  45  15.982  10.561  -4.627
  345   1HH2  ARG  45          HH11      ARG  45  14.311  11.210  -7.701
  346   2HH2  ARG  45          HH12      ARG  45  14.176  11.299  -5.987
  347    H    GLY  46           H        GLY  46  20.084   9.327 -11.725
  348   1HA   GLY  46          HA2       GLY  46  20.959   7.237 -13.423
  349   2HA   GLY  46          HA3       GLY  46  20.135   8.472 -14.399
  350    H    TYR  47           H        TYR  47  23.129   7.602 -13.561
  351    HA   TYR  47           HA       TYR  47  24.127  10.376 -13.442
  352   1HB   TYR  47          HB2       TYR  47  24.976   8.271 -11.437
  353   2HB   TYR  47          HB3       TYR  47  25.530   9.933 -11.527
  354    HD1  TYR  47           HD1      TYR  47  24.084  11.799 -10.706
  355    HD2  TYR  47           HD2      TYR  47  22.884   7.679 -10.437
  356    HE1  TYR  47           HE1      TYR  47  22.449  12.402  -8.947
  357    HE2  TYR  47           HE2      TYR  47  21.249   8.257  -8.658
  358    HH   TYR  47           HH       TYR  47  20.912  11.607  -7.400
  359    H    LYS  48           H        LYS  48  26.244  10.556 -14.195
  360    HA   LYS  48           HA       LYS  48  27.234   8.735 -16.031
  361   1HB   LYS  48          HB2       LYS  48  29.303  10.023 -15.983
  362   2HB   LYS  48          HB3       LYS  48  27.882  11.065 -15.959
  363   1HG   LYS  48          HG2       LYS  48  28.198  11.272 -13.430
  364   2HG   LYS  48          HG3       LYS  48  29.739  10.411 -13.628
  365   1HD   LYS  48          HD2       LYS  48  30.448  12.181 -15.272
  366   2HD   LYS  48          HD3       LYS  48  28.952  13.057 -14.940
  367   1HE   LYS  48          HE2       LYS  48  31.178  12.436 -12.942
  368   2HE   LYS  48          HE3       LYS  48  30.860  13.993 -13.710
  369   1HZ   LYS  48          HZ1       LYS  48  29.917  14.049 -11.563
  370   2HZ   LYS  48          HZ2       LYS  48  28.640  13.951 -12.588
  371   3HZ   LYS  48          HZ3       LYS  48  29.127  12.636 -11.743
  372    H    TRP  49           H        TRP  49  27.788   8.637 -12.506
  373    HA   TRP  49           HA       TRP  49  29.955   6.744 -12.757
  374   1HB   TRP  49          HB2       TRP  49  29.595   6.454 -10.278
  375   2HB   TRP  49          HB3       TRP  49  30.081   8.025 -10.865
  376    HD1  TRP  49           HD1      TRP  49  28.823  10.019  -9.984
  377    HE1  TRP  49           HE1      TRP  49  26.728  10.440  -8.595
  378    HE3  TRP  49           HE3      TRP  49  26.940   5.253  -9.900
  379    HZ2  TRP  49           HZ2      TRP  49  24.483   8.899  -7.576
  380    HZ3  TRP  49           HZ3      TRP  49  24.781   4.790  -8.830
  381    HH2  TRP  49           HH2      TRP  49  23.517   6.600  -7.670
  382    H    ALA  50           H        ALA  50  26.424   6.322 -12.802
  383    HA   ALA  50           HA       ALA  50  26.683   3.477 -12.114
  384   1HB   ALA  50          HB1       ALA  50  24.259   5.097 -12.942
  385   2HB   ALA  50          HB2       ALA  50  24.299   3.371 -12.479
  386   3HB   ALA  50          HB3       ALA  50  24.735   4.605 -11.292
  387    H    GLU  51           H        GLU  51  28.188   2.967 -13.789
  388    HA   GLU  51           HA       GLU  51  27.556   3.177 -16.575
  389   1HB   GLU  51          HB2       GLU  51  29.422   1.271 -15.096
  390   2HB   GLU  51          HB3       GLU  51  29.384   1.520 -16.849
  391   1HG   GLU  51          HG2       GLU  51  29.876   3.962 -16.459
  392   2HG   GLU  51          HG3       GLU  51  30.072   3.610 -14.743
  393    H    TYR  52           H        TYR  52  25.970   1.314 -14.235
  394    HA   TYR  52           HA       TYR  52  24.654  -0.273 -16.287
  395   1HB   TYR  52          HB2       TYR  52  24.729  -2.273 -14.611
  396   2HB   TYR  52          HB3       TYR  52  25.987  -2.026 -15.802
  397    HD1  TYR  52           HD1      TYR  52  28.144  -0.929 -15.150
  398    HD2  TYR  52           HD2      TYR  52  25.312  -2.383 -12.266
  399    HE1  TYR  52           HE1      TYR  52  29.940  -0.956 -13.420
  400    HE2  TYR  52           HE2      TYR  52  27.078  -2.446 -10.531
  401    HH   TYR  52           HH       TYR  52  29.320  -2.031 -10.040
  402    H    HIS  53           H        HIS  53  22.492  -0.637 -15.733
  403    HA   HIS  53           HA       HIS  53  21.271   1.259 -14.071
  404   1HB   HIS  53          HB2       HIS  53  19.959  -1.348 -14.900
  405   2HB   HIS  53          HB3       HIS  53  19.198   0.220 -14.650
  406    HD1  HIS  53           HD1      HIS  53  19.407   1.976 -16.769
  407    HD2  HIS  53           HD2      HIS  53  21.165  -1.833 -17.225
  408    HE1  HIS  53           HE1      HIS  53  20.071   1.748 -19.230
  409    H    ALA  54           H        ALA  54  22.236  -2.092 -13.351
  410    HA   ALA  54           HA       ALA  54  20.771  -2.388 -10.937
  411   1HB   ALA  54          HB1       ALA  54  21.823  -4.280 -12.116
  412   2HB   ALA  54          HB2       ALA  54  23.438  -3.636 -11.733
  413   3HB   ALA  54          HB3       ALA  54  22.368  -4.187 -10.432
  414    H    ASP  55           H        ASP  55  23.723  -0.523 -11.623
  415    HA   ASP  55           HA       ASP  55  24.701  -0.476  -8.928
  416   1HB   ASP  55          HB2       ASP  55  25.946   0.278 -11.088
  417   2HB   ASP  55          HB3       ASP  55  25.039   1.758 -10.961
  418    H    ILE  56           H        ILE  56  22.589   1.728 -10.817
  419    HA   ILE  56           HA       ILE  56  22.145   3.474  -8.561
  420    HB   ILE  56           HB       ILE  56  20.027   4.046 -10.180
  421   1HG1  ILE  56          HG12      ILE  56  22.149   2.970 -12.064
  422   2HG1  ILE  56          HG13      ILE  56  20.417   2.622 -11.995
  423   1HG2  ILE  56          HG21      ILE  56  21.247   6.013 -10.779
  424   2HG2  ILE  56          HG22      ILE  56  21.582   5.556  -9.117
  425   3HG2  ILE  56          HG23      ILE  56  22.792   5.219 -10.376
  426   1HD1  ILE  56          HD11      ILE  56  20.029   5.005 -12.733
  427   2HD1  ILE  56          HD12      ILE  56  21.793   5.154 -12.946
  428   3HD1  ILE  56          HD13      ILE  56  20.887   3.977 -13.906
  429    H    TYR  57           H        TYR  57  20.267   0.660  -9.945
  430    HA   TYR  57           HA       TYR  57  18.063   1.095  -8.194
  431   1HB   TYR  57          HB2       TYR  57  17.844  -0.562  -9.931
  432   2HB   TYR  57          HB3       TYR  57  19.155  -1.527  -9.248
  433    HD1  TYR  57           HD1      TYR  57  18.424  -3.448  -8.103
  434    HD2  TYR  57           HD2      TYR  57  16.018   0.127  -7.872
  435    HE1  TYR  57           HE1      TYR  57  16.883  -4.586  -6.539
  436    HE2  TYR  57           HE2      TYR  57  14.495  -0.983  -6.290
  437    HH   TYR  57           HH       TYR  57  14.028  -2.964  -5.075
  438    H    ASP  58           H        ASP  58  21.113  -0.831  -7.632
  439    HA   ASP  58           HA       ASP  58  20.398  -1.656  -5.023
  440   1HB   ASP  58          HB2       ASP  58  22.193  -2.717  -6.278
  441   2HB   ASP  58          HB3       ASP  58  23.136  -1.222  -6.268
  442    H    LYS  59           H        LYS  59  22.363   1.181  -6.087
  443    HA   LYS  59           HA       LYS  59  22.957   2.162  -3.489
  444   1HB   LYS  59          HB2       LYS  59  24.159   2.855  -5.428
  445   2HB   LYS  59          HB3       LYS  59  22.720   3.526  -6.197
  446   1HG   LYS  59          HG2       LYS  59  22.729   5.448  -4.949
  447   2HG   LYS  59          HG3       LYS  59  23.435   4.672  -3.512
  448   1HD   LYS  59          HD2       LYS  59  25.620   4.592  -4.491
  449   2HD   LYS  59          HD3       LYS  59  25.010   5.125  -6.065
  450   1HE   LYS  59          HE2       LYS  59  24.302   7.298  -5.015
  451   2HE   LYS  59          HE3       LYS  59  25.022   6.766  -3.489
  452   1HZ   LYS  59          HZ1       LYS  59  26.533   8.170  -4.743
  453   2HZ   LYS  59          HZ2       LYS  59  27.172   6.677  -4.619
  454   3HZ   LYS  59          HZ3       LYS  59  26.496   7.166  -6.030
  455    H    VAL  60           H        VAL  60  20.253   3.011  -5.722
  456    HA   VAL  60           HA       VAL  60  19.258   5.008  -3.919
  457    HB   VAL  60           HB       VAL  60  18.008   3.760  -6.376
  458   1HG1  VAL  60          HG11      VAL  60  16.551   5.742  -6.369
  459   2HG1  VAL  60          HG12      VAL  60  16.348   4.870  -4.839
  460   3HG1  VAL  60          HG13      VAL  60  17.320   6.334  -4.869
  461   1HG2  VAL  60          HG21      VAL  60  19.386   6.473  -6.127
  462   2HG2  VAL  60          HG22      VAL  60  20.283   5.040  -6.616
  463   3HG2  VAL  60          HG23      VAL  60  18.940   5.557  -7.603
  464    H    SER  61           H        SER  61  18.186   1.592  -4.655
  465    HA   SER  61           HA       SER  61  15.995   1.751  -2.819
  466   1HB   SER  61          HB2       SER  61  16.007  -0.702  -2.845
  467   2HB   SER  61          HB3       SER  61  16.058  -0.006  -4.471
  468    HG   SER  61           HG       SER  61  18.177  -0.502  -4.645
  469    H    GLY  62           H        GLY  62  19.489   1.152  -2.333
  470   1HA   GLY  62          HA2       GLY  62  19.417   0.356   0.379
  471   2HA   GLY  62          HA3       GLY  62  20.725   1.244  -0.429
  472    H    ASP  63           H        ASP  63  19.721   3.711  -1.031
  473    HA   ASP  63           HA       ASP  63  19.596   4.997   1.507
  474   1HB   ASP  63          HB2       ASP  63  20.430   6.147  -0.505
  475   2HB   ASP  63          HB3       ASP  63  18.808   6.121  -1.211
  476    H    MET  64           H        MET  64  16.956   4.365  -0.924
  477    HA   MET  64           HA       MET  64  14.879   5.511   0.607
  478   1HB   MET  64          HB2       MET  64  14.804   3.041  -1.177
  479   2HB   MET  64          HB3       MET  64  13.403   3.949  -0.631
  480   1HG   MET  64          HG2       MET  64  15.510   5.149  -2.429
  481   2HG   MET  64          HG3       MET  64  13.983   4.451  -2.945
  482   1HE   MET  64          HE1       MET  64  15.564   7.216  -0.602
  483   2HE   MET  64          HE2       MET  64  15.779   7.567  -2.337
  484   3HE   MET  64          HE3       MET  64  14.750   8.614  -1.334
  485    H    GLN  65           H        GLN  65  16.160   2.102   0.832
  486    HA   GLN  65           HA       GLN  65  14.309   1.373   2.876
  487   1HB   GLN  65          HB2       GLN  65  16.966   0.309   1.878
  488   2HB   GLN  65          HB3       GLN  65  16.189  -0.425   3.281
  489   1HG   GLN  65          HG2       GLN  65  14.242  -1.049   2.021
  490   2HG   GLN  65          HG3       GLN  65  14.777  -0.139   0.602
  491   1HE2  GLN  65          HE22      GLN  65  16.969  -0.832  -0.290
  492   2HE2  GLN  65          HE21      GLN  65  17.308  -2.559  -0.349
  493    H    LYS  66           H        LYS  66  17.543   2.948   3.025
  494    HA   LYS  66           HA       LYS  66  17.806   2.831   5.866
  495   1HB   LYS  66          HB2       LYS  66  19.645   3.303   4.398
  496   2HB   LYS  66          HB3       LYS  66  18.840   4.708   3.718
  497   1HG   LYS  66          HG2       LYS  66  19.056   5.943   5.801
  498   2HG   LYS  66          HG3       LYS  66  19.737   4.511   6.602
  499   1HD   LYS  66          HD2       LYS  66  21.573   5.981   5.964
  500   2HD   LYS  66          HD3       LYS  66  21.611   4.499   4.997
  501   1HE   LYS  66          HE2       LYS  66  22.162   6.370   3.582
  502   2HE   LYS  66          HE3       LYS  66  20.640   5.653   3.078
  503   1HZ   LYS  66          HZ1       LYS  66  20.358   7.939   3.010
  504   2HZ   LYS  66          HZ2       LYS  66  19.541   7.506   4.355
  505   3HZ   LYS  66          HZ3       LYS  66  21.018   8.211   4.499
  506    H    GLN  67           H        GLN  67  16.105   5.201   3.696
  507    HA   GLN  67           HA       GLN  67  15.095   6.778   5.913
  508   1HB   GLN  67          HB2       GLN  67  13.876   6.410   3.138
  509   2HB   GLN  67          HB3       GLN  67  13.467   7.643   4.330
  510   1HG   GLN  67          HG2       GLN  67  15.908   8.420   4.209
  511   2HG   GLN  67          HG3       GLN  67  16.104   7.313   2.850
  512   1HE2  GLN  67          HE22      GLN  67  16.419   8.714   1.096
  513   2HE2  GLN  67          HE21      GLN  67  15.279   9.986   0.703
  514    H    GLY  68           H        GLY  68  14.009   3.808   4.354
  515   1HA   GLY  68          HA2       GLY  68  13.183   2.268   6.212
  516   2HA   GLY  68          HA3       GLY  68  11.883   3.439   6.421
  517    H    CYS  69           H        CYS  69  12.437   3.550   3.190
  518    HA   CYS  69           HA       CYS  69   9.845   2.549   2.598
  519   1HB   CYS  69          HB2       CYS  69  12.172   3.297   0.824
  520   2HB   CYS  69          HB3       CYS  69  10.494   3.199   0.289
  521    HG   CYS  69           HG       CYS  69  11.191   5.710   0.487
  522    H    ASP  70           H        ASP  70   9.552   1.147   0.558
  523    HA   ASP  70           HA       ASP  70  11.492  -1.076   0.287
  524   1HB   ASP  70          HB2       ASP  70   9.627  -2.002   1.598
  525   2HB   ASP  70          HB3       ASP  70   8.459  -1.345   0.444
  526    H    CYS  71           H        CYS  71  11.859  -1.460  -1.948
  527    HA   CYS  71           HA       CYS  71  10.349   0.242  -3.846
  528   1HB   CYS  71          HB2       CYS  71  13.386   0.296  -3.493
  529   2HB   CYS  71          HB3       CYS  71  12.435   1.230  -4.658
  530    HG   CYS  71           HG       CYS  71  12.290   1.335  -1.369
  531    H    GLU  72           H        GLU  72  11.011  -0.115  -6.135
  532    HA   GLU  72           HA       GLU  72  12.457  -2.593  -6.768
  533   1HB   GLU  72          HB2       GLU  72  10.219  -3.429  -6.301
  534   2HB   GLU  72          HB3       GLU  72   9.476  -2.156  -7.283
  535   1HG   GLU  72          HG2       GLU  72  10.416  -3.056  -9.308
  536   2HG   GLU  72          HG3       GLU  72  11.427  -4.195  -8.409
  537    H    CYS  73           H        CYS  73  13.578  -2.196  -8.658
  538    HA   CYS  73           HA       CYS  73  13.258   0.230 -10.203
  539   1HB   CYS  73          HB2       CYS  73  14.782  -1.083 -11.798
  540   2HB   CYS  73          HB3       CYS  73  15.433  -0.641 -10.221
  541    HG   CYS  73           HG       CYS  73  13.970  -3.480 -11.056
  542    H    LEU  74           H        LEU  74  11.388   0.478 -11.417
  543    HA   LEU  74           HA       LEU  74   9.727  -1.765 -12.241
  544   1HB   LEU  74          HB2       LEU  74   9.747   1.169 -13.084
  545   2HB   LEU  74          HB3       LEU  74   8.527  -0.009 -13.550
  546    HG   LEU  74           HG       LEU  74   9.074   1.001 -10.732
  547   1HD1  LEU  74          HD11      LEU  74   6.839   1.978 -10.940
  548   2HD1  LEU  74          HD12      LEU  74   7.879   2.549 -12.258
  549   3HD1  LEU  74          HD13      LEU  74   6.658   1.301 -12.571
  550   1HD2  LEU  74          HD21      LEU  74   7.090  -1.114 -11.685
  551   2HD2  LEU  74          HD22      LEU  74   8.400  -1.321 -10.495
  552   3HD2  LEU  74          HD23      LEU  74   7.009  -0.311 -10.105
  553    H    GLY  75           H        GLY  75  12.385   0.082 -13.625
  554   1HA   GLY  75          HA2       GLY  75  13.216  -1.806 -15.464
  555   2HA   GLY  75          HA3       GLY  75  12.140  -0.714 -16.354
  556    H    GLY  76           H        GLY  76  14.318  -0.219 -17.441
  557   1HA   GLY  76          HA2       GLY  76  15.075   2.388 -16.450
  558   2HA   GLY  76          HA3       GLY  76  16.433   1.250 -16.415
  559    H    GLY  77           H        GLY  77  17.225   2.915 -18.012
  560   1HA   GLY  77          HA2       GLY  77  17.081   2.037 -20.722
  561   2HA   GLY  77          HA3       GLY  77  16.048   3.457 -20.485
  562    H    ARG  78           H        ARG  78  17.616   4.555 -21.926
  563    HA   ARG  78           HA       ARG  78  20.053   5.435 -20.470
  564   1HB   ARG  78          HB2       ARG  78  20.452   3.618 -22.188
  565   2HB   ARG  78          HB3       ARG  78  19.900   4.751 -23.433
  566   1HG   ARG  78          HG2       ARG  78  21.789   6.245 -22.921
  567   2HG   ARG  78          HG3       ARG  78  22.229   5.245 -21.524
  568   1HD   ARG  78          HD2       ARG  78  23.735   4.765 -23.360
  569   2HD   ARG  78          HD3       ARG  78  22.774   3.355 -22.960
  570    HE   ARG  78           HE       ARG  78  22.381   5.169 -25.313
  571   1HH1  ARG  78          HH21      ARG  78  21.930   1.916 -23.893
  572   2HH1  ARG  78          HH22      ARG  78  21.269   1.247 -25.357
  573   1HH2  ARG  78          HH11      ARG  78  21.500   4.252 -27.192
  574   2HH2  ARG  78          HH12      ARG  78  21.101   2.548 -27.242
  575    H    ILE  79           H        ILE  79  20.800   7.541 -21.106
  576    HA   ILE  79           HA       ILE  79  18.654   9.289 -22.145
  577    HB   ILE  79           HB       ILE  79  20.309   9.573 -19.598
  578   1HG1  ILE  79          HG12      ILE  79  17.348   9.210 -20.176
  579   2HG1  ILE  79          HG13      ILE  79  18.404   8.138 -19.273
  580   1HG2  ILE  79          HG21      ILE  79  20.172  11.787 -20.751
  581   2HG2  ILE  79          HG22      ILE  79  18.406  11.614 -20.856
  582   3HG2  ILE  79          HG23      ILE  79  19.225  11.789 -19.285
  583   1HD1  ILE  79          HD11      ILE  79  16.962   9.259 -17.718
  584   2HD1  ILE  79          HD12      ILE  79  18.600   9.910 -17.489
  585   3HD1  ILE  79          HD13      ILE  79  17.362  10.850 -18.365
  586    H    SER  80           H        SER  80  19.386  10.946 -23.385
  587    HA   SER  80           HA       SER  80  22.317  11.085 -23.953
  588   1HB   SER  80          HB2       SER  80  20.003  11.266 -25.922
  589   2HB   SER  80          HB3       SER  80  21.732  11.356 -26.307
  590    HG   SER  80           HG       SER  80  20.840   9.265 -26.660
  591    H    HIS  81           H        HIS  81  23.142  13.073 -24.064
  592    HA   HIS  81           HA       HIS  81  21.396  15.479 -24.120
  593   1HB   HIS  81          HB2       HIS  81  22.204  14.853 -21.767
  594   2HB   HIS  81          HB3       HIS  81  23.840  15.063 -22.356
  595    HD1  HIS  81           HD1      HIS  81  20.868  17.564 -22.978
  596    HD2  HIS  81           HD2      HIS  81  24.635  17.209 -21.106
  597    HE1  HIS  81           HE1      HIS  81  21.462  19.864 -22.100
  598    H    GLN  82           H        GLN  82  23.681  13.774 -25.812
  599    HA   GLN  82           HA       GLN  82  25.791  15.547 -26.147
  600   1HB   GLN  82          HB2       GLN  82  25.747  13.145 -26.787
  601   2HB   GLN  82          HB3       GLN  82  24.679  13.525 -28.138
  602   1HG   GLN  82          HG2       GLN  82  26.993  13.171 -28.866
  603   2HG   GLN  82          HG3       GLN  82  26.461  14.799 -29.240
  604   1HE2  GLN  82          HE22      GLN  82  27.343  16.596 -27.979
  605   2HE2  GLN  82          HE21      GLN  82  28.852  16.403 -27.098
  606    H    SER  83           H        SER  83  22.599  15.858 -27.542
  607    HA   SER  83           HA       SER  83  23.052  17.668 -29.630
  608   1HB   SER  83          HB2       SER  83  20.877  17.709 -27.508
  609   2HB   SER  83          HB3       SER  83  20.757  18.341 -29.167
  610    HG   SER  83           HG       SER  83  19.798  16.271 -28.976
  611    H    GLN  84           H        GLN  84  23.269  18.124 -26.121
  612    HA   GLN  84           HA       GLN  84  23.523  19.867 -24.752
  613   1HB   GLN  84          HB2       GLN  84  25.672  20.443 -26.817
  614   2HB   GLN  84          HB3       GLN  84  25.615  21.129 -25.183
  615   1HG   GLN  84          HG2       GLN  84  25.652  18.834 -24.217
  616   2HG   GLN  84          HG3       GLN  84  25.814  18.150 -25.830
  617   1HE2  GLN  84          HE22      GLN  84  27.685  17.841 -23.589
  618   2HE2  GLN  84          HE21      GLN  84  29.203  18.522 -24.138
  619    H    ASP  85           H        ASP  85  21.288  20.357 -25.935
  620    HA   ASP  85           HA       ASP  85  21.245  23.248 -26.640
  621   1HB   ASP  85          HB2       ASP  85  21.211  21.897 -28.697
  622   2HB   ASP  85          HB3       ASP  85  19.811  21.002 -28.102
  623    H    LYS  86           H        LYS  86  20.862  22.531 -24.125
  624    HA   LYS  86           HA       LYS  86  19.502  22.586 -22.340
  625   1HB   LYS  86          HB2       LYS  86  19.269  24.818 -23.408
  626   2HB   LYS  86          HB3       LYS  86  17.810  24.285 -24.218
  627   1HG   LYS  86          HG2       LYS  86  17.428  25.759 -22.264
  628   2HG   LYS  86          HG3       LYS  86  16.569  24.241 -22.178
  629   1HD   LYS  86          HD2       LYS  86  17.401  24.772 -20.008
  630   2HD   LYS  86          HD3       LYS  86  18.286  23.365 -20.592
  631   1HE   LYS  86          HE2       LYS  86  20.210  24.847 -21.201
  632   2HE   LYS  86          HE3       LYS  86  19.294  26.237 -20.597
  633   1HZ   LYS  86          HZ1       LYS  86  20.272  23.936 -18.983
  634   2HZ   LYS  86          HZ2       LYS  86  20.733  25.507 -18.868
  635   3HZ   LYS  86          HZ3       LYS  86  19.222  25.031 -18.421
  636    H    LYS  87           H        LYS  87  19.084  20.227 -24.048
  637    HA   LYS  87           HA       LYS  87  16.523  19.358 -22.925
  638   1HB   LYS  87          HB2       LYS  87  15.898  20.287 -25.077
  639   2HB   LYS  87          HB3       LYS  87  17.147  19.363 -25.910
  640   1HG   LYS  87          HG2       LYS  87  16.009  17.314 -25.645
  641   2HG   LYS  87          HG3       LYS  87  14.951  17.934 -24.369
  642   1HD   LYS  87          HD2       LYS  87  14.853  18.972 -27.233
  643   2HD   LYS  87          HD3       LYS  87  13.897  17.588 -26.666
  644   1HE   LYS  87          HE2       LYS  87  12.885  18.966 -24.888
  645   2HE   LYS  87          HE3       LYS  87  13.835  20.366 -25.395
  646   1HZ   LYS  87          HZ1       LYS  87  11.780  19.049 -27.070
  647   2HZ   LYS  87          HZ2       LYS  87  11.584  20.416 -26.182
  648   3HZ   LYS  87          HZ3       LYS  87  12.621  20.404 -27.461
  649    H    ILE  88           H        ILE  88  16.321  17.035 -22.951
  650    HA   ILE  88           HA       ILE  88  18.663  15.451 -23.794
  651    HB   ILE  88           HB       ILE  88  18.313  13.957 -21.826
  652   1HG1  ILE  88          HG12      ILE  88  16.870  16.232 -20.437
  653   2HG1  ILE  88          HG13      ILE  88  15.989  14.985 -21.296
  654   1HG2  ILE  88          HG21      ILE  88  19.162  16.757 -21.004
  655   2HG2  ILE  88          HG22      ILE  88  19.680  15.204 -20.300
  656   3HG2  ILE  88          HG23      ILE  88  20.130  15.613 -21.954
  657   1HD1  ILE  88          HD11      ILE  88  17.942  14.387 -19.041
  658   2HD1  ILE  88          HD12      ILE  88  16.182  14.515 -18.881
  659   3HD1  ILE  88          HD13      ILE  88  16.882  13.233 -19.884
  660    H    HIS  89           H        HIS  89  17.977  13.080 -23.904
  661    HA   HIS  89           HA       HIS  89  15.098  12.748 -24.554
  662   1HB   HIS  89          HB2       HIS  89  16.555  13.149 -26.618
  663   2HB   HIS  89          HB3       HIS  89  17.369  11.630 -26.239
  664    HD1  HIS  89           HD1      HIS  89  13.859  12.967 -27.151
  665    HD2  HIS  89           HD2      HIS  89  16.134   9.420 -27.078
  666    HE1  HIS  89           HE1      HIS  89  12.484  11.194 -28.389
  667    H    VAL  90           H        VAL  90  14.367  10.589 -24.134
  668    HA   VAL  90           HA       VAL  90  16.224   8.835 -22.593
  669    HB   VAL  90           HB       VAL  90  13.267   9.331 -22.038
  670   1HG1  VAL  90          HG11      VAL  90  13.725   8.184 -19.910
  671   2HG1  VAL  90          HG12      VAL  90  14.129   7.146 -21.285
  672   3HG1  VAL  90          HG13      VAL  90  15.422   7.948 -20.379
  673   1HG2  VAL  90          HG21      VAL  90  14.010  10.582 -19.991
  674   2HG2  VAL  90          HG22      VAL  90  15.664  10.592 -20.640
  675   3HG2  VAL  90          HG23      VAL  90  14.355  11.413 -21.504
  676    H    TYR  91           H        TYR  91  16.272   6.729 -23.364
  677    HA   TYR  91           HA       TYR  91  14.100   5.606 -24.928
  678   1HB   TYR  91          HB2       TYR  91  15.074   5.552 -27.028
  679   2HB   TYR  91          HB3       TYR  91  15.252   7.204 -26.532
  680    HD1  TYR  91           HD1      TYR  91  17.860   6.852 -24.795
  681    HD2  TYR  91           HD2      TYR  91  16.693   5.461 -28.714
  682    HE1  TYR  91           HE1      TYR  91  20.218   6.772 -25.456
  683    HE2  TYR  91           HE2      TYR  91  19.064   5.406 -29.396
  684    HH   TYR  91           HH       TYR  91  21.268   5.901 -28.784
  685    H    GLY  92           H        GLY  92  15.155   3.469 -26.090
  686   1HA   GLY  92          HA2       GLY  92  16.343   1.503 -25.843
  687   2HA   GLY  92          HA3       GLY  92  17.375   2.285 -24.640
  688    H    TYR  93           H        TYR  93  17.224   0.244 -23.477
  689    HA   TYR  93           HA       TYR  93  15.037   0.179 -21.549
  690   1HB   TYR  93          HB2       TYR  93  14.755  -2.294 -21.895
  691   2HB   TYR  93          HB3       TYR  93  14.097  -1.304 -23.182
  692    HD1  TYR  93           HD1      TYR  93  15.010  -1.366 -25.444
  693    HD2  TYR  93           HD2      TYR  93  16.737  -3.743 -22.283
  694    HE1  TYR  93           HE1      TYR  93  16.221  -2.711 -27.122
  695    HE2  TYR  93           HE2      TYR  93  17.974  -5.078 -23.950
  696    HH   TYR  93           HH       TYR  93  18.406  -5.425 -26.218
  697    H    SER  94           H        SER  94  15.694  -1.069 -19.630
  698    HA   SER  94           HA       SER  94  18.550  -1.098 -19.196
  699   1HB   SER  94          HB2       SER  94  17.199  -0.648 -17.305
  700   2HB   SER  94          HB3       SER  94  16.199  -2.092 -17.562
  701    HG   SER  94           HG       SER  94  18.034  -2.097 -15.927
  702    H    MET  95           H        MET  95  19.953  -2.719 -19.569
  703    HA   MET  95           HA       MET  95  19.207  -5.163 -20.869
  704   1HB   MET  95          HB2       MET  95  21.437  -4.037 -20.985
  705   2HB   MET  95          HB3       MET  95  21.742  -4.497 -19.304
  706   1HG   MET  95          HG2       MET  95  21.596  -6.876 -19.915
  707   2HG   MET  95          HG3       MET  95  21.203  -6.452 -21.582
  708   1HE   MET  95          HE1       MET  95  24.568  -5.179 -23.040
  709   2HE   MET  95          HE2       MET  95  22.888  -5.653 -23.367
  710   3HE   MET  95          HE3       MET  95  23.234  -4.176 -22.438
  711    H    ALA  96           H        ALA  96  19.252  -4.172 -17.477
  712    HA   ALA  96           HA       ALA  96  19.274  -6.977 -16.519
  713   1HB   ALA  96          HB1       ALA  96  19.370  -4.322 -15.021
  714   2HB   ALA  96          HB2       ALA  96  19.551  -5.936 -14.310
  715   3HB   ALA  96          HB3       ALA  96  20.773  -5.334 -15.446
  716    H    TYR  97           H        TYR  97  17.096  -4.170 -16.788
  717    HA   TYR  97           HA       TYR  97  14.955  -5.723 -15.390
  718   1HB   TYR  97          HB2       TYR  97  15.427  -2.734 -15.258
  719   2HB   TYR  97          HB3       TYR  97  14.287  -3.675 -14.305
  720    HD1  TYR  97           HD1      TYR  97  17.048  -1.822 -13.816
  721    HD2  TYR  97           HD2      TYR  97  15.767  -5.902 -13.209
  722    HE1  TYR  97           HE1      TYR  97  18.725  -2.083 -12.019
  723    HE2  TYR  97           HE2      TYR  97  17.451  -6.174 -11.428
  724    HH   TYR  97           HH       TYR  97  19.145  -5.172 -10.212
  725    H    GLY  98           H        GLY  98  15.642  -4.542 -18.455
  726   1HA   GLY  98          HA2       GLY  98  14.246  -4.385 -20.270
  727   2HA   GLY  98          HA3       GLY  98  12.852  -4.696 -19.231
  728    HA   PRO  99           HA       PRO  99  13.061  -0.211 -20.606
  729   1HB   PRO  99          HB2       PRO  99  10.568  -0.009 -21.771
  730   2HB   PRO  99          HB3       PRO  99  12.027  -0.552 -22.641
  731   1HG   PRO  99          HG2       PRO  99   9.851  -2.245 -21.398
  732   2HG   PRO  99          HG3       PRO  99  10.636  -2.442 -22.996
  733   1HD   PRO  99          HD2       PRO  99  11.359  -3.911 -20.805
  734   2HD   PRO  99          HD3       PRO  99  12.555  -3.406 -22.036
  735    H    ALA 100           H        ALA 100  12.542   1.314 -19.173
  736    HA   ALA 100           HA       ALA 100  10.589   0.913 -17.028
  737   1HB   ALA 100          HB1       ALA 100  12.609   2.254 -16.619
  738   2HB   ALA 100          HB2       ALA 100  12.253   3.254 -18.035
  739   3HB   ALA 100          HB3       ALA 100  11.224   3.341 -16.595
  740    H    GLN 101           H        GLN 101   8.938   2.688 -16.693
  741    HA   GLN 101           HA       GLN 101   7.346   3.269 -19.105
  742   1HB   GLN 101          HB2       GLN 101   6.983   3.846 -16.127
  743   2HB   GLN 101          HB3       GLN 101   5.919   4.505 -17.380
  744   1HG   GLN 101          HG2       GLN 101   5.281   2.297 -18.124
  745   2HG   GLN 101          HG3       GLN 101   6.408   1.531 -16.987
  746   1HE2  GLN 101          HE22      GLN 101   3.437   3.577 -17.170
  747   2HE2  GLN 101          HE21      GLN 101   2.833   3.125 -15.597
  748    H    HIS 102           H        HIS 102   9.309   4.378 -20.037
  749    HA   HIS 102           HA       HIS 102  10.566   6.584 -18.927
  750   1HB   HIS 102          HB2       HIS 102   9.962   6.028 -21.839
  751   2HB   HIS 102          HB3       HIS 102  11.200   7.150 -21.264
  752    HD1  HIS 102           HD1      HIS 102  10.893   3.618 -22.325
  753    HD2  HIS 102           HD2      HIS 102  13.023   5.791 -19.424
  754    HE1  HIS 102           HE1      HIS 102  12.826   2.136 -21.566
  755    H    ALA 103           H        ALA 103   7.311   6.549 -20.202
  756    HA   ALA 103           HA       ALA 103   6.879   9.292 -20.712
  757   1HB   ALA 103          HB1       ALA 103   5.056   7.200 -19.425
  758   2HB   ALA 103          HB2       ALA 103   4.531   8.772 -20.073
  759   3HB   ALA 103          HB3       ALA 103   5.209   7.550 -21.164
  760    H    ILE 104           H        ILE 104   7.125   7.483 -17.626
  761    HA   ILE 104           HA       ILE 104   6.288   9.599 -15.879
  762    HB   ILE 104           HB       ILE 104   8.166   7.242 -15.383
  763   1HG1  ILE 104          HG12      ILE 104   5.848   6.565 -16.130
  764   2HG1  ILE 104          HG13      ILE 104   6.327   5.983 -14.547
  765   1HG2  ILE 104          HG21      ILE 104   8.526   8.822 -13.625
  766   2HG2  ILE 104          HG22      ILE 104   6.789   9.120 -13.428
  767   3HG2  ILE 104          HG23      ILE 104   7.485   7.550 -12.974
  768   1HD1  ILE 104          HD11      ILE 104   4.600   8.463 -14.936
  769   2HD1  ILE 104          HD12      ILE 104   3.970   6.812 -14.678
  770   3HD1  ILE 104          HD13      ILE 104   4.947   7.584 -13.420
  771    H    SER 105           H        SER 105   9.513   8.562 -17.194
  772    HA   SER 105           HA       SER 105  11.075  10.342 -15.741
  773   1HB   SER 105          HB2       SER 105  11.524   9.463 -18.619
  774   2HB   SER 105          HB3       SER 105  12.727   9.972 -17.444
  775    HG   SER 105           HG       SER 105  12.566   7.690 -17.520
  776    H    THR 106           H        THR 106   9.591  10.859 -19.016
  777    HA   THR 106           HA       THR 106  10.367  13.548 -19.246
  778    HB   THR 106           HB       THR 106   8.044  13.629 -20.600
  779    HG1  THR 106           HG1      THR 106   7.448  11.484 -19.846
  780   1HG2  THR 106          HG21      THR 106   9.251  12.767 -22.552
  781   2HG2  THR 106          HG22      THR 106  10.264  13.842 -21.605
  782   3HG2  THR 106          HG23      THR 106  10.509  12.078 -21.496
  783    H    GLU 107           H        GLU 107   7.350  12.277 -17.667
  784    HA   GLU 107           HA       GLU 107   6.302  14.861 -17.148
  785   1HB   GLU 107          HB2       GLU 107   5.827  12.114 -15.885
  786   2HB   GLU 107          HB3       GLU 107   5.004  13.572 -15.318
  787   1HG   GLU 107          HG2       GLU 107   4.142  13.992 -17.610
  788   2HG   GLU 107          HG3       GLU 107   4.909  12.511 -18.173
  789    H    LYS 108           H        LYS 108   8.259  12.691 -15.061
  790    HA   LYS 108           HA       LYS 108   8.219  14.454 -12.795
  791   1HB   LYS 108          HB2       LYS 108  10.068  12.161 -13.582
  792   2HB   LYS 108          HB3       LYS 108  10.088  12.943 -12.005
  793   1HG   LYS 108          HG2       LYS 108   7.663  11.478 -13.113
  794   2HG   LYS 108          HG3       LYS 108   8.886  10.775 -12.048
  795   1HD   LYS 108          HD2       LYS 108   8.357  12.554 -10.354
  796   2HD   LYS 108          HD3       LYS 108   7.016  13.090 -11.391
  797   1HE   LYS 108          HE2       LYS 108   5.984  10.853 -11.241
  798   2HE   LYS 108          HE3       LYS 108   7.365  10.263 -10.296
  799   1HZ   LYS 108          HZ1       LYS 108   6.807  11.822  -8.561
  800   2HZ   LYS 108          HZ2       LYS 108   5.517  12.397  -9.404
  801   3HZ   LYS 108          HZ3       LYS 108   5.511  10.856  -8.865
  802    H    ILE 109           H        ILE 109  10.702  13.925 -15.390
  803    HA   ILE 109           HA       ILE 109  12.553  15.781 -14.220
  804    HB   ILE 109           HB       ILE 109  12.264  14.598 -16.977
  805   1HG1  ILE 109          HG12      ILE 109  14.543  14.232 -14.995
  806   2HG1  ILE 109          HG13      ILE 109  13.087  13.232 -14.937
  807   1HG2  ILE 109          HG21      ILE 109  14.463  15.540 -17.600
  808   2HG2  ILE 109          HG22      ILE 109  13.315  16.831 -17.297
  809   3HG2  ILE 109          HG23      ILE 109  14.526  16.422 -16.069
  810   1HD1  ILE 109          HD11      ILE 109  14.815  12.054 -16.171
  811   2HD1  ILE 109          HD12      ILE 109  13.514  12.485 -17.294
  812   3HD1  ILE 109          HD13      ILE 109  15.032  13.404 -17.276
  813    H    LYS 110           H        LYS 110   9.816  16.277 -16.611
  814    HA   LYS 110           HA       LYS 110  10.504  19.068 -16.905
  815   1HB   LYS 110          HB2       LYS 110   7.904  17.555 -17.394
  816   2HB   LYS 110          HB3       LYS 110   8.078  19.301 -17.660
  817   1HG   LYS 110          HG2       LYS 110   9.965  18.921 -19.196
  818   2HG   LYS 110          HG3       LYS 110   9.807  17.177 -18.947
  819   1HD   LYS 110          HD2       LYS 110   7.594  17.168 -19.969
  820   2HD   LYS 110          HD3       LYS 110   7.664  18.937 -20.189
  821   1HE   LYS 110          HE2       LYS 110   9.672  18.709 -21.618
  822   2HE   LYS 110          HE3       LYS 110   9.703  16.971 -21.341
  823   1HZ   LYS 110          HZ1       LYS 110   8.716  17.444 -23.453
  824   2HZ   LYS 110          HZ2       LYS 110   7.550  16.826 -22.498
  825   3HZ   LYS 110          HZ3       LYS 110   7.580  18.430 -22.808
  826    H    ALA 111           H        ALA 111   8.423  17.351 -14.520
  827    HA   ALA 111           HA       ALA 111   7.413  19.705 -13.295
  828   1HB   ALA 111          HB1       ALA 111   7.997  16.992 -12.021
  829   2HB   ALA 111          HB2       ALA 111   6.950  18.263 -11.362
  830   3HB   ALA 111          HB3       ALA 111   6.503  17.447 -12.874
  831    H    LYS 112           H        LYS 112  10.386  17.782 -12.546
  832    HA   LYS 112           HA       LYS 112  11.268  19.518 -10.427
  833   1HB   LYS 112          HB2       LYS 112  11.962  17.116 -10.796
  834   2HB   LYS 112          HB3       LYS 112  12.857  17.626 -12.218
  835   1HG   LYS 112          HG2       LYS 112  14.513  17.500 -10.588
  836   2HG   LYS 112          HG3       LYS 112  14.158  19.219 -10.611
  837   1HD   LYS 112          HD2       LYS 112  12.572  18.824  -8.650
  838   2HD   LYS 112          HD3       LYS 112  13.161  17.164  -8.583
  839   1HE   LYS 112          HE2       LYS 112  14.800  19.712  -8.188
  840   2HE   LYS 112          HE3       LYS 112  14.258  18.610  -6.924
  841   1HZ   LYS 112          HZ1       LYS 112  15.661  16.869  -8.007
  842   2HZ   LYS 112          HZ2       LYS 112  16.261  18.013  -9.015
  843   3HZ   LYS 112          HZ3       LYS 112  16.511  18.134  -7.414
  844    H    TYR 113           H        TYR 113  11.943  19.379 -13.906
  845    HA   TYR 113           HA       TYR 113  13.204  20.457 -15.309
  846   1HB   TYR 113          HB2       TYR 113  11.406  22.199 -14.827
  847   2HB   TYR 113          HB3       TYR 113  12.649  23.095 -13.966
  848    HD1  TYR 113           HD1      TYR 113  14.660  23.970 -15.251
  849    HD2  TYR 113           HD2      TYR 113  11.447  21.872 -17.228
  850    HE1  TYR 113           HE1      TYR 113  15.551  24.678 -17.449
  851    HE2  TYR 113           HE2      TYR 113  12.316  22.598 -19.425
  852    HH   TYR 113           HH       TYR 113  13.973  23.792 -20.553
  853    HA   PRO 114           HA       PRO 114  16.498  20.213 -12.083
  854   1HB   PRO 114          HB2       PRO 114  18.104  18.292 -13.240
  855   2HB   PRO 114          HB3       PRO 114  16.627  17.914 -12.303
  856   1HG   PRO 114          HG2       PRO 114  16.907  18.122 -15.306
  857   2HG   PRO 114          HG3       PRO 114  16.111  16.838 -14.339
  858   1HD   PRO 114          HD2       PRO 114  14.691  18.860 -15.474
  859   2HD   PRO 114          HD3       PRO 114  14.261  18.209 -13.867
  860    H    ASP 115           H        ASP 115  16.807  20.635 -15.560
  861    HA   ASP 115           HA       ASP 115  18.376  22.992 -15.284
  862   1HB   ASP 115          HB2       ASP 115  20.291  21.413 -15.031
  863   2HB   ASP 115          HB3       ASP 115  19.835  20.615 -16.533
  864    H    TYR 116           H        TYR 116  17.133  20.360 -17.313
  865    HA   TYR 116           HA       TYR 116  16.704  22.189 -19.608
  866   1HB   TYR 116          HB2       TYR 116  17.421  19.987 -20.889
  867   2HB   TYR 116          HB3       TYR 116  18.625  21.096 -20.271
  868    HD1  TYR 116           HD1      TYR 116  16.689  18.145 -18.855
  869    HD2  TYR 116           HD2      TYR 116  20.518  20.052 -19.448
  870    HE1  TYR 116           HE1      TYR 116  17.778  16.344 -17.579
  871    HE2  TYR 116           HE2      TYR 116  21.626  18.209 -18.234
  872    HH   TYR 116           HH       TYR 116  19.803  15.465 -16.802
  873    H    GLU 117           H        GLU 117  15.347  21.162 -21.296
  874    HA   GLU 117           HA       GLU 117  12.934  19.913 -20.162
  875   1HB   GLU 117          HB2       GLU 117  12.912  21.774 -21.865
  876   2HB   GLU 117          HB3       GLU 117  13.586  20.648 -23.051
  877   1HG   GLU 117          HG2       GLU 117  11.561  19.314 -22.999
  878   2HG   GLU 117          HG3       GLU 117  10.971  20.195 -21.576
  879    H    VAL 118           H        VAL 118  12.107  17.977 -21.757
  880    HA   VAL 118           HA       VAL 118  14.262  16.097 -22.348
  881    HB   VAL 118           HB       VAL 118  14.031  15.868 -19.970
  882   1HG1  VAL 118          HG11      VAL 118  11.841  15.182 -18.931
  883   2HG1  VAL 118          HG12      VAL 118  11.960  16.855 -19.452
  884   3HG1  VAL 118          HG13      VAL 118  11.045  15.667 -20.421
  885   1HG2  VAL 118          HG21      VAL 118  12.493  13.511 -21.111
  886   2HG2  VAL 118          HG22      VAL 118  14.234  13.722 -21.282
  887   3HG2  VAL 118          HG23      VAL 118  13.521  13.555 -19.672
  888    H    THR 119           H        THR 119  13.466  14.248 -23.509
  889    HA   THR 119           HA       THR 119  10.641  14.177 -24.318
  890    HB   THR 119           HB       THR 119  11.492  13.783 -26.719
  891    HG1  THR 119           HG1      THR 119  13.766  15.070 -25.597
  892   1HG2  THR 119          HG21      THR 119  11.469  16.142 -27.306
  893   2HG2  THR 119          HG22      THR 119  10.232  15.777 -26.090
  894   3HG2  THR 119          HG23      THR 119  11.726  16.610 -25.605
  895    H    TRP 120           H        TRP 120  10.371  11.972 -25.634
  896    HA   TRP 120           HA       TRP 120  12.444  10.044 -24.986
  897   1HB   TRP 120          HB2       TRP 120  11.169   8.503 -23.759
  898   2HB   TRP 120          HB3       TRP 120  10.928  10.033 -22.947
  899    HD1  TRP 120           HD1      TRP 120   8.418  11.238 -23.849
  900    HE1  TRP 120           HE1      TRP 120   6.144  10.097 -23.814
  901    HE3  TRP 120           HE3      TRP 120   9.977   6.378 -24.159
  902    HZ2  TRP 120           HZ2      TRP 120   5.111   7.382 -23.827
  903    HZ3  TRP 120           HZ3      TRP 120   8.331   4.531 -24.056
  904    HH2  TRP 120           HH2      TRP 120   5.898   5.018 -23.895
  905    H    ALA 121           H        ALA 121  11.944   7.874 -25.899
  906    HA   ALA 121           HA       ALA 121   9.833   7.764 -27.925
  907   1HB   ALA 121          HB1       ALA 121  11.791   8.526 -29.247
  908   2HB   ALA 121          HB2       ALA 121  12.775   7.205 -28.571
  909   3HB   ALA 121          HB3       ALA 121  11.400   6.839 -29.632
  910    H    ASN 122           H        ASN 122   9.105   5.655 -28.151
  911    HA   ASN 122           HA       ASN 122   9.877   3.820 -25.989
  912   1HB   ASN 122          HB2       ASN 122   7.492   4.461 -26.441
  913   2HB   ASN 122          HB3       ASN 122   7.608   3.669 -28.012
  914   1HD2  ASN 122          HD22      ASN 122   6.019   2.037 -27.525
  915   2HD2  ASN 122          HD21      ASN 122   6.310   0.786 -26.346
  916    H    ASP 123           H        ASP 123  11.984   3.940 -27.660
  917    HA   ASP 123           HA       ASP 123  12.084   1.405 -29.118
  918   1HB   ASP 123          HB2       ASP 123  11.069   3.260 -30.664
  919   2HB   ASP 123          HB3       ASP 123  12.691   3.966 -30.615
  920    H    GLY 124           H        GLY 124  14.371   1.551 -30.335
  921   1HA   GLY 124          HA2       GLY 124  16.670   2.053 -30.275
  922   2HA   GLY 124          HA3       GLY 124  16.468   2.932 -28.757
  923    H    TYR 125           H        TYR 125  18.555   1.344 -28.789
  924    HA   TYR 125           HA       TYR 125  18.025  -0.611 -26.738
  925   1HB   TYR 125          HB2       TYR 125  19.304  -2.395 -27.798
  926   2HB   TYR 125          HB3       TYR 125  17.839  -2.071 -28.702
  927    HD1  TYR 125           HD1      TYR 125  21.518  -1.999 -28.768
  928    HD2  TYR 125           HD2      TYR 125  17.929  -1.020 -30.954
  929    HE1  TYR 125           HE1      TYR 125  22.849  -1.782 -30.846
  930    HE2  TYR 125           HE2      TYR 125  19.247  -0.795 -33.035
  931    HH   TYR 125           HH       TYR 125  21.363  -0.916 -34.007
  Start of MODEL   21
    1   1H    MET   1          H1        MET   1   8.796  13.017  18.794
    2   2H    MET   1          H2        MET   1   9.416  14.078  17.711
    3   3H    MET   1          H3        MET   1   7.801  14.002  17.932
    4    HA   MET   1           HA       MET   1   9.484  11.877  16.794
    5   1HB   MET   1          HB2       MET   1   6.467  11.976  17.245
    6   2HB   MET   1          HB3       MET   1   7.251  10.847  16.146
    7   1HG   MET   1          HG2       MET   1   7.711  11.029  19.143
    8   2HG   MET   1          HG3       MET   1   6.798   9.793  18.298
    9   1HE   MET   1          HE1       MET   1   9.507   7.615  16.551
   10   2HE   MET   1          HE2       MET   1   7.788   7.808  16.954
   11   3HE   MET   1          HE3       MET   1   8.564   8.916  15.798
   12    H    ALA   2           H        ALA   2   9.660  11.822  14.569
   13    HA   ALA   2           HA       ALA   2   7.952  13.427  12.851
   14   1HB   ALA   2          HB1       ALA   2   9.862  14.606  11.779
   15   2HB   ALA   2          HB2       ALA   2   9.688  15.101  13.472
   16   3HB   ALA   2          HB3       ALA   2  10.966  13.953  13.008
   17    H    VAL   3           H        VAL   3   8.444  12.852  10.544
   18    HA   VAL   3           HA       VAL   3  10.133  10.558  10.019
   19    HB   VAL   3           HB       VAL   3   8.186   9.490  11.041
   20   1HG1  VAL   3          HG11      VAL   3   6.454  10.772   8.891
   21   2HG1  VAL   3          HG12      VAL   3   5.940   9.543  10.063
   22   3HG1  VAL   3          HG13      VAL   3   6.415  11.148  10.628
   23   1HG2  VAL   3          HG21      VAL   3   7.991   8.955   8.076
   24   2HG2  VAL   3          HG22      VAL   3   9.339   8.395   9.089
   25   3HG2  VAL   3          HG23      VAL   3   7.685   7.851   9.419
   26    H    ALA   4           H        ALA   4  10.457  10.306   7.731
   27    HA   ALA   4           HA       ALA   4   9.966  12.678   6.121
   28   1HB   ALA   4          HB1       ALA   4  11.053   9.951   5.286
   29   2HB   ALA   4          HB2       ALA   4  11.155  11.460   4.370
   30   3HB   ALA   4          HB3       ALA   4  12.037  11.295   5.897
   31    H    ASP   5           H        ASP   5   9.096  12.064   3.716
   32    HA   ASP   5           HA       ASP   5   6.697  10.372   3.805
   33   1HB   ASP   5          HB2       ASP   5   5.876  12.513   4.723
   34   2HB   ASP   5          HB3       ASP   5   6.599  13.391   3.374
   35    H    LEU   6           H        LEU   6   5.906  10.004   1.635
   36    HA   LEU   6           HA       LEU   6   7.867   9.609  -0.305
   37   1HB   LEU   6          HB2       LEU   6   4.841   9.897  -0.526
   38   2HB   LEU   6          HB3       LEU   6   5.877   9.397  -1.842
   39    HG   LEU   6           HG       LEU   6   5.484   7.837   0.721
   40   1HD1  LEU   6          HD11      LEU   6   4.424   6.236  -1.008
   41   2HD1  LEU   6          HD12      LEU   6   3.507   7.690  -0.569
   42   3HD1  LEU   6          HD13      LEU   6   4.359   7.612  -2.106
   43   1HD2  LEU   6          HD21      LEU   6   7.730   7.390  -0.101
   44   2HD2  LEU   6          HD22      LEU   6   6.700   6.017  -0.473
   45   3HD2  LEU   6          HD23      LEU   6   7.127   7.151  -1.760
   46    H    ALA   7           H        ALA   7   5.870  12.541   0.180
   47    HA   ALA   7           HA       ALA   7   6.530  13.655  -2.379
   48   1HB   ALA   7          HB1       ALA   7   5.485  15.690  -1.485
   49   2HB   ALA   7          HB2       ALA   7   4.483  14.271  -1.131
   50   3HB   ALA   7          HB3       ALA   7   5.488  14.998   0.148
   51    H    LEU   8           H        LEU   8   8.173  13.495   0.711
   52    HA   LEU   8           HA       LEU   8   9.865  15.862   0.213
   53   1HB   LEU   8          HB2       LEU   8   9.900  13.790   2.447
   54   2HB   LEU   8          HB3       LEU   8  10.916  15.221   2.371
   55    HG   LEU   8           HG       LEU   8   7.872  15.259   2.570
   56   1HD1  LEU   8          HD11      LEU   8  10.008  15.840   4.665
   57   2HD1  LEU   8          HD12      LEU   8   8.252  16.035   4.877
   58   3HD1  LEU   8          HD13      LEU   8   8.932  14.425   4.623
   59   1HD2  LEU   8          HD21      LEU   8   8.660  17.279   1.433
   60   2HD2  LEU   8          HD22      LEU   8   8.175  17.679   3.079
   61   3HD2  LEU   8          HD23      LEU   8   9.901  17.535   2.682
   62    H    ILE   9           H        ILE   9   9.913  12.403  -0.334
   63    HA   ILE   9           HA       ILE   9  12.693  11.953  -0.577
   64    HB   ILE   9           HB       ILE   9  10.321  10.759  -2.057
   65   1HG1  ILE   9          HG12      ILE   9  11.986   9.809   0.324
   66   2HG1  ILE   9          HG13      ILE   9  10.335  10.427   0.396
   67   1HG2  ILE   9          HG21      ILE   9  12.363  10.417  -3.410
   68   2HG2  ILE   9          HG22      ILE   9  13.191   9.756  -1.984
   69   3HG2  ILE   9          HG23      ILE   9  11.811   8.906  -2.713
   70   1HD1  ILE   9          HD11      ILE   9  10.115   8.107   0.563
   71   2HD1  ILE   9          HD12      ILE   9   9.669   8.476  -1.121
   72   3HD1  ILE   9          HD13      ILE   9  11.274   7.803  -0.736
   73    HA   PRO  10           HA       PRO  10  13.508  14.765  -4.073
   74   1HB   PRO  10          HB2       PRO  10  15.808  12.883  -4.576
   75   2HB   PRO  10          HB3       PRO  10  15.794  14.667  -4.516
   76   1HG   PRO  10          HG2       PRO  10  16.727  13.204  -2.417
   77   2HG   PRO  10          HG3       PRO  10  15.738  14.674  -2.144
   78   1HD   PRO  10          HD2       PRO  10  14.863  11.781  -2.042
   79   2HD   PRO  10          HD3       PRO  10  14.455  13.138  -0.948
   80    H    ASP  11           H        ASP  11  12.092  14.537  -5.717
   81    HA   ASP  11           HA       ASP  11  11.190  12.005  -6.579
   82   1HB   ASP  11          HB2       ASP  11   9.991  14.299  -6.475
   83   2HB   ASP  11          HB3       ASP  11  10.688  14.596  -8.071
   84    H    VAL  12           H        VAL  12  13.584  14.186  -7.924
   85    HA   VAL  12           HA       VAL  12  14.393  12.210  -9.938
   86    HB   VAL  12           HB       VAL  12  13.880  15.159 -10.548
   87   1HG1  VAL  12          HG11      VAL  12  14.509  14.634 -12.862
   88   2HG1  VAL  12          HG12      VAL  12  15.853  14.350 -11.770
   89   3HG1  VAL  12          HG13      VAL  12  14.927  12.969 -12.393
   90   1HG2  VAL  12          HG21      VAL  12  12.256  14.350 -12.236
   91   2HG2  VAL  12          HG22      VAL  12  12.434  12.699 -11.606
   92   3HG2  VAL  12          HG23      VAL  12  11.746  13.981 -10.592
   93    H    ASP  13           H        ASP  13  16.642  12.181 -10.024
   94    HA   ASP  13           HA       ASP  13  18.181  14.562  -9.450
   95   1HB   ASP  13          HB2       ASP  13  17.902  13.630  -7.143
   96   2HB   ASP  13          HB3       ASP  13  18.663  12.137  -7.672
   97    H    ILE  14           H        ILE  14  19.409  14.507 -11.274
   98    HA   ILE  14           HA       ILE  14  20.542  11.967 -12.219
   99    HB   ILE  14           HB       ILE  14  19.832  12.442 -14.530
  100   1HG1  ILE  14          HG12      ILE  14  17.860  14.488 -13.411
  101   2HG1  ILE  14          HG13      ILE  14  19.363  14.911 -14.237
  102   1HG2  ILE  14          HG21      ILE  14  17.605  11.511 -14.363
  103   2HG2  ILE  14          HG22      ILE  14  18.587  10.850 -13.061
  104   3HG2  ILE  14          HG23      ILE  14  17.410  12.125 -12.707
  105   1HD1  ILE  14          HD11      ILE  14  17.544  15.066 -15.805
  106   2HD1  ILE  14          HD12      ILE  14  18.573  13.697 -16.270
  107   3HD1  ILE  14          HD13      ILE  14  17.014  13.416 -15.456
  108    H    ASP  15           H        ASP  15  22.307  12.307 -13.736
  109    HA   ASP  15           HA       ASP  15  23.995  14.542 -13.100
  110   1HB   ASP  15          HB2       ASP  15  24.922  12.432 -13.864
  111   2HB   ASP  15          HB3       ASP  15  24.108  12.584 -15.421
  112    H    SER  16           H        SER  16  24.399  16.469 -14.184
  113    HA   SER  16           HA       SER  16  22.153  17.664 -15.322
  114   1HB   SER  16          HB2       SER  16  25.007  18.706 -15.389
  115   2HB   SER  16          HB3       SER  16  23.507  19.649 -15.338
  116    HG   SER  16           HG       SER  16  24.515  19.495 -13.281
  117    H    ASP  17           H        ASP  17  24.924  16.146 -17.043
  118    HA   ASP  17           HA       ASP  17  23.816  16.706 -19.658
  119   1HB   ASP  17          HB2       ASP  17  24.572  18.972 -19.351
  120   2HB   ASP  17          HB3       ASP  17  26.092  18.443 -18.632
  121    H    GLY  18           H        GLY  18  24.399  14.804 -20.654
  122   1HA   GLY  18          HA2       GLY  18  26.955  14.135 -21.415
  123   2HA   GLY  18          HA3       GLY  18  26.721  13.284 -19.879
  124    H    VAL  19           H        VAL  19  26.885  11.314 -21.042
  125    HA   VAL  19           HA       VAL  19  24.264  10.376 -22.004
  126    HB   VAL  19           HB       VAL  19  26.968   9.615 -23.196
  127   1HG1  VAL  19          HG11      VAL  19  25.603   7.608 -23.010
  128   2HG1  VAL  19          HG12      VAL  19  24.192   8.448 -23.676
  129   3HG1  VAL  19          HG13      VAL  19  25.611   8.127 -24.698
  130   1HG2  VAL  19          HG21      VAL  19  24.547  10.964 -24.462
  131   2HG2  VAL  19          HG22      VAL  19  26.125  11.715 -24.152
  132   3HG2  VAL  19          HG23      VAL  19  25.991  10.412 -25.334
  133    H    PHE  20           H        PHE  20  23.606   8.848 -20.536
  134    HA   PHE  20           HA       PHE  20  25.482   7.158 -19.062
  135   1HB   PHE  20          HB2       PHE  20  24.714   8.118 -16.857
  136   2HB   PHE  20          HB3       PHE  20  25.818   9.132 -17.762
  137    HD1  PHE  20           HD1      PHE  20  22.341   8.809 -16.535
  138    HD2  PHE  20           HD2      PHE  20  25.134  11.297 -18.670
  139    HE1  PHE  20           HE1      PHE  20  20.796  10.731 -16.311
  140    HE2  PHE  20           HE2      PHE  20  23.567  13.211 -18.478
  141    HZ   PHE  20           HZ       PHE  20  21.399  12.933 -17.298
  142    H    LYS  21           H        LYS  21  24.242   5.785 -17.440
  143    HA   LYS  21           HA       LYS  21  21.730   4.957 -18.744
  144   1HB   LYS  21          HB2       LYS  21  23.061   3.789 -16.239
  145   2HB   LYS  21          HB3       LYS  21  21.805   3.048 -17.203
  146   1HG   LYS  21          HG2       LYS  21  24.730   3.376 -17.890
  147   2HG   LYS  21          HG3       LYS  21  23.801   1.891 -17.660
  148   1HD   LYS  21          HD2       LYS  21  22.435   2.607 -19.729
  149   2HD   LYS  21          HD3       LYS  21  23.693   3.813 -20.018
  150   1HE   LYS  21          HE2       LYS  21  23.981   0.781 -19.941
  151   2HE   LYS  21          HE3       LYS  21  24.128   1.839 -21.347
  152   1HZ   LYS  21          HZ1       LYS  21  26.017   1.658 -19.071
  153   2HZ   LYS  21          HZ2       LYS  21  26.292   1.211 -20.607
  154   3HZ   LYS  21          HZ3       LYS  21  26.134   2.798 -20.259
  155    H    TYR  22           H        TYR  22  19.764   4.587 -17.394
  156    HA   TYR  22           HA       TYR  22  19.723   5.943 -14.807
  157   1HB   TYR  22          HB2       TYR  22  18.396   7.669 -15.307
  158   2HB   TYR  22          HB3       TYR  22  18.953   7.455 -16.947
  159    HD1  TYR  22           HD1      TYR  22  17.524   5.940 -18.487
  160    HD2  TYR  22           HD2      TYR  22  16.164   7.410 -14.667
  161    HE1  TYR  22           HE1      TYR  22  15.252   5.129 -18.988
  162    HE2  TYR  22           HE2      TYR  22  13.888   6.571 -15.148
  163    HH   TYR  22           HH       TYR  22  13.160   4.723 -18.110
  164    H    VAL  23           H        VAL  23  17.510   5.484 -13.741
  165    HA   VAL  23           HA       VAL  23  16.208   3.030 -14.667
  166    HB   VAL  23           HB       VAL  23  18.198   2.401 -13.246
  167   1HG1  VAL  23          HG11      VAL  23  18.090   2.676 -10.817
  168   2HG1  VAL  23          HG12      VAL  23  18.132   4.260 -11.621
  169   3HG1  VAL  23          HG13      VAL  23  16.616   3.647 -10.963
  170   1HG2  VAL  23          HG21      VAL  23  16.333   0.864 -13.536
  171   2HG2  VAL  23          HG22      VAL  23  17.061   0.716 -11.936
  172   3HG2  VAL  23          HG23      VAL  23  15.508   1.558 -12.123
  173    H    LEU  24           H        LEU  24  14.146   2.703 -13.585
  174    HA   LEU  24           HA       LEU  24  12.946   5.198 -12.468
  175   1HB   LEU  24          HB2       LEU  24  12.499   4.531 -14.931
  176   2HB   LEU  24          HB3       LEU  24  11.675   3.125 -14.318
  177    HG   LEU  24           HG       LEU  24  10.121   4.878 -15.047
  178   1HD1  LEU  24          HD11      LEU  24   9.976   4.623 -12.030
  179   2HD1  LEU  24          HD12      LEU  24   8.670   5.016 -13.174
  180   3HD1  LEU  24          HD13      LEU  24   9.415   3.415 -13.220
  181   1HD2  LEU  24          HD21      LEU  24   9.953   7.026 -14.073
  182   2HD2  LEU  24          HD22      LEU  24  11.219   6.672 -12.868
  183   3HD2  LEU  24          HD23      LEU  24  11.614   6.797 -14.603
  184    H    ILE  25           H        ILE  25  12.487   4.700 -10.296
  185    HA   ILE  25           HA       ILE  25  11.807   1.862  -9.728
  186    HB   ILE  25           HB       ILE  25  13.349   1.532  -8.299
  187   1HG1  ILE  25          HG12      ILE  25  13.338   4.293  -7.074
  188   2HG1  ILE  25          HG13      ILE  25  12.285   2.977  -6.561
  189   1HG2  ILE  25          HG21      ILE  25  15.513   2.594  -8.516
  190   2HG2  ILE  25          HG22      ILE  25  14.724   2.578 -10.089
  191   3HG2  ILE  25          HG23      ILE  25  14.767   4.081  -9.120
  192   1HD1  ILE  25          HD11      ILE  25  14.260   1.576  -6.040
  193   2HD1  ILE  25          HD12      ILE  25  15.305   2.984  -6.363
  194   3HD1  ILE  25          HD13      ILE  25  14.120   3.048  -5.054
  195    H    ARG  26           H        ARG  26  10.206   1.385  -8.428
  196    HA   ARG  26           HA       ARG  26   8.304   3.487  -7.585
  197   1HB   ARG  26          HB2       ARG  26   7.480   1.434  -8.625
  198   2HB   ARG  26          HB3       ARG  26   8.317   0.431  -7.452
  199   1HG   ARG  26          HG2       ARG  26   6.840   0.931  -5.713
  200   2HG   ARG  26          HG3       ARG  26   6.302   2.450  -6.435
  201   1HD   ARG  26          HD2       ARG  26   5.660  -0.276  -7.626
  202   2HD   ARG  26          HD3       ARG  26   4.597   0.593  -6.495
  203    HE   ARG  26           HE       ARG  26   5.165   2.476  -8.405
  204   1HH1  ARG  26          HH21      ARG  26   3.632  -0.734  -8.543
  205   2HH1  ARG  26          HH22      ARG  26   2.708  -0.376  -9.954
  206   1HH2  ARG  26          HH12      ARG  26   4.006   2.947 -10.263
  207   2HH2  ARG  26          HH11      ARG  26   2.899   1.792 -10.947
  208    H    VAL  27           H        VAL  27   7.896   3.909  -5.413
  209    HA   VAL  27           HA       VAL  27   9.603   2.669  -3.323
  210    HB   VAL  27           HB       VAL  27   8.920   5.631  -3.662
  211   1HG1  VAL  27          HG11      VAL  27  10.602   5.983  -1.915
  212   2HG1  VAL  27          HG12      VAL  27   9.301   4.940  -1.334
  213   3HG1  VAL  27          HG13      VAL  27  10.871   4.239  -1.792
  214   1HG2  VAL  27          HG21      VAL  27  11.325   6.008  -4.182
  215   2HG2  VAL  27          HG22      VAL  27  11.547   4.251  -4.338
  216   3HG2  VAL  27          HG23      VAL  27  10.479   5.135  -5.453
  217    H    HIS  28           H        HIS  28   8.317   2.008  -1.641
  218    HA   HIS  28           HA       HIS  28   5.426   2.728  -1.584
  219   1HB   HIS  28          HB2       HIS  28   7.026   0.628  -0.072
  220   2HB   HIS  28          HB3       HIS  28   5.273   0.815  -0.069
  221    HD1  HIS  28           HD1      HIS  28   4.354   0.758  -2.947
  222    HD2  HIS  28           HD2      HIS  28   7.749  -1.341  -1.605
  223    HE1  HIS  28           HE1      HIS  28   4.755  -1.112  -4.623
  224    H    SER  29           H        SER  29   4.445   3.528   0.303
  225    HA   SER  29           HA       SER  29   5.920   5.338   1.942
  226   1HB   SER  29          HB2       SER  29   3.191   4.121   2.465
  227   2HB   SER  29          HB3       SER  29   3.841   5.587   3.198
  228    HG   SER  29           HG       SER  29   3.227   5.146   0.456
  229    H    ALA  30           H        ALA  30   7.584   4.311   3.134
  230    HA   ALA  30           HA       ALA  30   6.605   3.155   5.606
  231   1HB   ALA  30          HB1       ALA  30   8.623   1.556   3.980
  232   2HB   ALA  30          HB2       ALA  30   8.020   1.164   5.596
  233   3HB   ALA  30          HB3       ALA  30   6.923   1.127   4.217
  234    HA   PRO  31           HA       PRO  31  10.891   5.498   5.786
  235   1HB   PRO  31          HB2       PRO  31   9.131   7.860   6.431
  236   2HB   PRO  31          HB3       PRO  31  10.835   7.829   5.867
  237   1HG   PRO  31          HG2       PRO  31   8.825   8.284   4.103
  238   2HG   PRO  31          HG3       PRO  31  10.157   7.170   3.668
  239   1HD   PRO  31          HD2       PRO  31   7.386   6.494   4.680
  240   2HD   PRO  31          HD3       PRO  31   8.337   5.749   3.365
  241    H    ARG  32           H        ARG  32  11.814   5.558   7.766
  242    HA   ARG  32           HA       ARG  32  12.130   4.673   9.806
  243   1HB   ARG  32          HB2       ARG  32  10.102   6.802  10.582
  244   2HB   ARG  32          HB3       ARG  32  11.291   6.053  11.649
  245   1HG   ARG  32          HG2       ARG  32  13.133   6.909  10.206
  246   2HG   ARG  32          HG3       ARG  32  11.940   7.777   9.222
  247   1HD   ARG  32          HD2       ARG  32  11.239   9.083  11.190
  248   2HD   ARG  32          HD3       ARG  32  12.383   8.192  12.207
  249    HE   ARG  32           HE       ARG  32  13.907   9.194  10.113
  250   1HH1  ARG  32          HH21      ARG  32  11.842  10.733  12.570
  251   2HH1  ARG  32          HH22      ARG  32  12.974  11.999  12.903
  252   1HH2  ARG  32          HH11      ARG  32  15.309  10.973  10.441
  253   2HH2  ARG  32          HH12      ARG  32  14.922  12.197  11.586
  254    H    SER  33           H        SER  33   9.970   3.224   8.327
  255    HA   SER  33           HA       SER  33   8.359   1.723   8.599
  256   1HB   SER  33          HB2       SER  33   9.611   1.208  11.322
  257   2HB   SER  33          HB3       SER  33   8.654   0.078  10.349
  258    HG   SER  33           HG       SER  33  10.914  -0.265  10.136
  259    H    GLY  34           H        GLY  34   7.635   4.438   9.315
  260   1HA   GLY  34          HA2       GLY  34   5.300   3.940  11.087
  261   2HA   GLY  34          HA3       GLY  34   6.484   5.185  11.526
  262    H    ALA  35           H        ALA  35   5.628   4.452   8.166
  263    HA   ALA  35           HA       ALA  35   4.860   7.155   7.574
  264   1HB   ALA  35          HB1       ALA  35   5.840   5.581   5.924
  265   2HB   ALA  35          HB2       ALA  35   4.367   4.583   6.002
  266   3HB   ALA  35          HB3       ALA  35   4.294   6.239   5.366
  267    HA   PRO  36           HA       PRO  36   0.608   6.890   8.811
  268   1HB   PRO  36          HB2       PRO  36  -0.588   8.888   7.391
  269   2HB   PRO  36          HB3       PRO  36   0.675   9.205   8.618
  270   1HG   PRO  36          HG2       PRO  36   1.034   8.953   5.610
  271   2HG   PRO  36          HG3       PRO  36   1.607  10.274   6.682
  272   1HD   PRO  36          HD2       PRO  36   3.226   8.208   5.959
  273   2HD   PRO  36          HD3       PRO  36   3.305   8.916   7.599
  274    H    ALA  37           H        ALA  37   1.460   5.830   5.671
  275    HA   ALA  37           HA       ALA  37  -1.170   4.663   5.104
  276   1HB   ALA  37          HB1       ALA  37  -1.261   7.010   4.207
  277   2HB   ALA  37          HB2       ALA  37   0.180   6.667   3.226
  278   3HB   ALA  37          HB3       ALA  37  -1.341   5.794   2.925
  279    H    ALA  38           H        ALA  38  -0.830   3.704   2.670
  280    HA   ALA  38           HA       ALA  38   1.890   2.594   2.308
  281   1HB   ALA  38          HB1       ALA  38  -0.640   0.922   2.201
  282   2HB   ALA  38          HB2       ALA  38   1.024   0.390   1.851
  283   3HB   ALA  38          HB3       ALA  38   0.582   0.871   3.500
  284    H    GLU  39           H        GLU  39   0.822   4.846   1.085
  285    HA   GLU  39           HA       GLU  39  -0.039   4.115  -1.605
  286   1HB   GLU  39          HB2       GLU  39   1.060   6.719  -0.432
  287   2HB   GLU  39          HB3       GLU  39   0.447   6.546  -2.074
  288   1HG   GLU  39          HG2       GLU  39  -1.174   6.207   0.486
  289   2HG   GLU  39          HG3       GLU  39  -1.209   7.590  -0.596
  290    H    SER  40           H        SER  40   1.482   4.971  -3.471
  291    HA   SER  40           HA       SER  40   4.332   4.550  -2.886
  292   1HB   SER  40          HB2       SER  40   2.992   3.082  -5.178
  293   2HB   SER  40          HB3       SER  40   4.635   2.881  -4.565
  294    HG   SER  40           HG       SER  40   2.209   2.188  -3.246
  295    H    LYS  41           H        LYS  41   5.695   5.280  -4.672
  296    HA   LYS  41           HA       LYS  41   4.533   6.656  -6.932
  297   1HB   LYS  41          HB2       LYS  41   5.664   8.860  -6.474
  298   2HB   LYS  41          HB3       LYS  41   4.265   8.501  -5.494
  299   1HG   LYS  41          HG2       LYS  41   5.718   9.496  -4.024
  300   2HG   LYS  41          HG3       LYS  41   5.802   7.790  -3.632
  301   1HD   LYS  41          HD2       LYS  41   7.972   8.738  -3.391
  302   2HD   LYS  41          HD3       LYS  41   7.998   7.611  -4.732
  303   1HE   LYS  41          HE2       LYS  41   9.283   9.588  -5.263
  304   2HE   LYS  41          HE3       LYS  41   7.895   9.485  -6.337
  305   1HZ   LYS  41          HZ1       LYS  41   6.811  11.175  -4.941
  306   2HZ   LYS  41          HZ2       LYS  41   8.130  11.274  -3.966
  307   3HZ   LYS  41          HZ3       LYS  41   8.217  11.693  -5.579
  308    H    GLU  42           H        GLU  42   6.343   7.552  -8.338
  309    HA   GLU  42           HA       GLU  42   8.587   5.605  -8.209
  310   1HB   GLU  42          HB2       GLU  42   7.044   6.903 -10.478
  311   2HB   GLU  42          HB3       GLU  42   8.681   6.313 -10.729
  312   1HG   GLU  42          HG2       GLU  42   7.205   4.617 -11.452
  313   2HG   GLU  42          HG3       GLU  42   8.015   4.046 -10.002
  314    H    ILE  43           H        ILE  43  10.697   6.366  -8.921
  315    HA   ILE  43           HA       ILE  43  11.101   9.296  -9.038
  316    HB   ILE  43           HB       ILE  43  13.109   9.097  -7.615
  317   1HG1  ILE  43          HG12      ILE  43  12.098   6.314  -6.894
  318   2HG1  ILE  43          HG13      ILE  43  13.508   6.639  -7.903
  319   1HG2  ILE  43          HG21      ILE  43  11.968   9.241  -5.525
  320   2HG2  ILE  43          HG22      ILE  43  10.832   9.792  -6.760
  321   3HG2  ILE  43          HG23      ILE  43  10.668   8.156  -6.077
  322   1HD1  ILE  43          HD11      ILE  43  14.158   6.071  -5.623
  323   2HD1  ILE  43          HD12      ILE  43  14.649   7.730  -6.021
  324   3HD1  ILE  43          HD13      ILE  43  13.242   7.432  -4.971
  325    H    VAL  44           H        VAL  44  13.136   9.878  -9.985
  326    HA   VAL  44           HA       VAL  44  13.976   7.932 -12.094
  327    HB   VAL  44           HB       VAL  44  13.764  10.960 -12.310
  328   1HG1  VAL  44          HG11      VAL  44  13.773  10.550 -14.730
  329   2HG1  VAL  44          HG12      VAL  44  15.209   9.835 -13.988
  330   3HG1  VAL  44          HG13      VAL  44  13.838   8.801 -14.455
  331   1HG2  VAL  44          HG21      VAL  44  11.686  10.715 -13.574
  332   2HG2  VAL  44          HG22      VAL  44  11.619   8.992 -13.148
  333   3HG2  VAL  44          HG23      VAL  44  11.484  10.243 -11.892
  334    H    ARG  45           H        ARG  45  16.161   7.452 -11.904
  335    HA   ARG  45           HA       ARG  45  18.000   9.568 -10.929
  336   1HB   ARG  45          HB2       ARG  45  17.948   6.708  -9.882
  337   2HB   ARG  45          HB3       ARG  45  19.160   7.913  -9.474
  338   1HG   ARG  45          HG2       ARG  45  16.201   8.030  -8.721
  339   2HG   ARG  45          HG3       ARG  45  17.525   7.565  -7.666
  340   1HD   ARG  45          HD2       ARG  45  18.490   9.792  -7.738
  341   2HD   ARG  45          HD3       ARG  45  17.278  10.323  -8.887
  342    HE   ARG  45           HE       ARG  45  15.667  10.448  -7.251
  343   1HH1  ARG  45          HH11      ARG  45  18.612   9.053  -5.838
  344   2HH1  ARG  45          HH12      ARG  45  18.051   9.152  -4.214
  345   1HH2  ARG  45          HH21      ARG  45  14.926  10.615  -5.093
  346   2HH2  ARG  45          HH22      ARG  45  15.897  10.021  -3.787
  347    H    GLY  46           H        GLY  46  20.106   9.398 -11.864
  348   1HA   GLY  46          HA2       GLY  46  21.080   7.159 -13.283
  349   2HA   GLY  46          HA3       GLY  46  20.249   8.217 -14.431
  350    H    TYR  47           H        TYR  47  23.211   7.510 -13.787
  351    HA   TYR  47           HA       TYR  47  24.292  10.230 -13.975
  352   1HB   TYR  47          HB2       TYR  47  25.205   8.396 -11.730
  353   2HB   TYR  47          HB3       TYR  47  25.676  10.060 -12.006
  354    HD1  TYR  47           HD1      TYR  47  24.284  11.912 -11.162
  355    HD2  TYR  47           HD2      TYR  47  23.047   7.800 -10.761
  356    HE1  TYR  47           HE1      TYR  47  22.683  12.571  -9.383
  357    HE2  TYR  47           HE2      TYR  47  21.447   8.442  -8.985
  358    HH   TYR  47           HH       TYR  47  20.739  10.144  -7.582
  359    H    LYS  48           H        LYS  48  26.595  10.156 -14.520
  360    HA   LYS  48           HA       LYS  48  27.289   8.054 -16.278
  361   1HB   LYS  48          HB2       LYS  48  28.172  10.630 -15.768
  362   2HB   LYS  48          HB3       LYS  48  29.525   9.700 -15.163
  363   1HG   LYS  48          HG2       LYS  48  28.282   9.519 -17.951
  364   2HG   LYS  48          HG3       LYS  48  29.721  10.437 -17.539
  365   1HD   LYS  48          HD2       LYS  48  29.470   7.402 -17.477
  366   2HD   LYS  48          HD3       LYS  48  30.296   8.381 -18.688
  367   1HE   LYS  48          HE2       LYS  48  31.808   9.272 -16.859
  368   2HE   LYS  48          HE3       LYS  48  31.064   8.109 -15.750
  369   1HZ   LYS  48          HZ1       LYS  48  31.834   6.325 -17.229
  370   2HZ   LYS  48          HZ2       LYS  48  32.568   7.421 -18.204
  371   3HZ   LYS  48          HZ3       LYS  48  33.089   7.222 -16.672
  372    H    TRP  49           H        TRP  49  28.021   8.464 -12.793
  373    HA   TRP  49           HA       TRP  49  30.027   6.431 -12.748
  374   1HB   TRP  49          HB2       TRP  49  29.586   6.372 -10.285
  375   2HB   TRP  49          HB3       TRP  49  30.091   7.895 -10.973
  376    HD1  TRP  49           HD1      TRP  49  28.802   9.950 -10.302
  377    HE1  TRP  49           HE1      TRP  49  26.692  10.471  -8.974
  378    HE3  TRP  49           HE3      TRP  49  26.919   5.196  -9.865
  379    HZ2  TRP  49           HZ2      TRP  49  24.450   9.010  -7.845
  380    HZ3  TRP  49           HZ3      TRP  49  24.740   4.822  -8.795
  381    HH2  TRP  49           HH2      TRP  49  23.464   6.721  -7.799
  382    H    ALA  50           H        ALA  50  26.473   6.178 -12.770
  383    HA   ALA  50           HA       ALA  50  26.638   3.301 -12.158
  384   1HB   ALA  50          HB1       ALA  50  24.733   4.399 -11.251
  385   2HB   ALA  50          HB2       ALA  50  24.270   5.062 -12.848
  386   3HB   ALA  50          HB3       ALA  50  24.235   3.302 -12.543
  387    H    GLU  51           H        GLU  51  28.159   2.919 -13.880
  388    HA   GLU  51           HA       GLU  51  27.541   3.264 -16.634
  389   1HB   GLU  51          HB2       GLU  51  29.259   1.240 -15.148
  390   2HB   GLU  51          HB3       GLU  51  29.223   1.341 -16.904
  391   1HG   GLU  51          HG2       GLU  51  29.991   3.672 -15.082
  392   2HG   GLU  51          HG3       GLU  51  31.135   2.531 -15.776
  393    H    TYR  52           H        TYR  52  26.044   1.192 -14.322
  394    HA   TYR  52           HA       TYR  52  24.487  -0.112 -16.439
  395   1HB   TYR  52          HB2       TYR  52  24.526  -2.177 -14.779
  396   2HB   TYR  52          HB3       TYR  52  25.655  -1.994 -16.105
  397    HD1  TYR  52           HD1      TYR  52  27.960  -1.235 -15.728
  398    HD2  TYR  52           HD2      TYR  52  25.327  -2.160 -12.461
  399    HE1  TYR  52           HE1      TYR  52  29.932  -1.421 -14.207
  400    HE2  TYR  52           HE2      TYR  52  27.261  -2.352 -10.926
  401    HH   TYR  52           HH       TYR  52  29.580  -2.216 -10.714
  402    H    HIS  53           H        HIS  53  22.366  -0.384 -15.844
  403    HA   HIS  53           HA       HIS  53  21.211   1.404 -14.067
  404   1HB   HIS  53          HB2       HIS  53  19.763  -1.136 -14.832
  405   2HB   HIS  53          HB3       HIS  53  19.137   0.503 -14.707
  406    HD1  HIS  53           HD1      HIS  53  19.369   2.005 -16.984
  407    HD2  HIS  53           HD2      HIS  53  21.168  -1.813 -17.041
  408    HE1  HIS  53           HE1      HIS  53  20.162   1.590 -19.379
  409    H    ALA  54           H        ALA  54  22.170  -1.973 -13.466
  410    HA   ALA  54           HA       ALA  54  20.742  -2.359 -11.049
  411   1HB   ALA  54          HB1       ALA  54  22.381  -4.148 -10.615
  412   2HB   ALA  54          HB2       ALA  54  21.834  -4.193 -12.302
  413   3HB   ALA  54          HB3       ALA  54  23.433  -3.524 -11.898
  414    H    ASP  55           H        ASP  55  23.702  -0.475 -11.701
  415    HA   ASP  55           HA       ASP  55  24.662  -0.484  -8.989
  416   1HB   ASP  55          HB2       ASP  55  25.966   0.217 -11.108
  417   2HB   ASP  55          HB3       ASP  55  25.090   1.722 -11.035
  418    H    ILE  56           H        ILE  56  22.642   1.803 -10.886
  419    HA   ILE  56           HA       ILE  56  22.181   3.545  -8.632
  420    HB   ILE  56           HB       ILE  56  20.063   4.113 -10.228
  421   1HG1  ILE  56          HG12      ILE  56  22.071   2.893 -12.137
  422   2HG1  ILE  56          HG13      ILE  56  20.319   2.677 -12.011
  423   1HG2  ILE  56          HG21      ILE  56  21.635   5.629  -9.235
  424   2HG2  ILE  56          HG22      ILE  56  22.829   5.269 -10.504
  425   3HG2  ILE  56          HG23      ILE  56  21.282   6.059 -10.898
  426   1HD1  ILE  56          HD11      ILE  56  20.070   5.033 -12.805
  427   2HD1  ILE  56          HD12      ILE  56  21.840   5.091 -13.041
  428   3HD1  ILE  56          HD13      ILE  56  20.862   3.945 -13.972
  429    H    TYR  57           H        TYR  57  20.330   0.735 -10.033
  430    HA   TYR  57           HA       TYR  57  18.097   1.155  -8.329
  431   1HB   TYR  57          HB2       TYR  57  17.958  -0.475 -10.116
  432   2HB   TYR  57          HB3       TYR  57  19.264  -1.428  -9.416
  433    HD1  TYR  57           HD1      TYR  57  16.114   0.121  -7.967
  434    HD2  TYR  57           HD2      TYR  57  18.459  -3.459  -8.560
  435    HE1  TYR  57           HE1      TYR  57  14.538  -1.140  -6.551
  436    HE2  TYR  57           HE2      TYR  57  16.861  -4.738  -7.180
  437    HH   TYR  57           HH       TYR  57  14.910  -4.659  -5.905
  438    H    ASP  58           H        ASP  58  21.147  -0.749  -7.722
  439    HA   ASP  58           HA       ASP  58  20.425  -1.558  -5.108
  440   1HB   ASP  58          HB2       ASP  58  22.260  -2.595  -6.324
  441   2HB   ASP  58          HB3       ASP  58  23.166  -1.077  -6.331
  442    H    LYS  59           H        LYS  59  22.362   1.299  -6.181
  443    HA   LYS  59           HA       LYS  59  22.887   2.332  -3.590
  444   1HB   LYS  59          HB2       LYS  59  24.132   3.027  -5.490
  445   2HB   LYS  59          HB3       LYS  59  22.704   3.621  -6.337
  446   1HG   LYS  59          HG2       LYS  59  22.626   5.599  -5.205
  447   2HG   LYS  59          HG3       LYS  59  23.238   4.908  -3.684
  448   1HD   LYS  59          HD2       LYS  59  25.494   4.830  -4.495
  449   2HD   LYS  59          HD3       LYS  59  24.993   5.276  -6.132
  450   1HE   LYS  59          HE2       LYS  59  24.159   7.477  -5.234
  451   2HE   LYS  59          HE3       LYS  59  24.785   7.030  -3.641
  452   1HZ   LYS  59          HZ1       LYS  59  27.008   6.944  -4.623
  453   2HZ   LYS  59          HZ2       LYS  59  26.416   7.358  -6.095
  454   3HZ   LYS  59          HZ3       LYS  59  26.347   8.414  -4.851
  455    H    VAL  60           H        VAL  60  20.224   3.155  -5.882
  456    HA   VAL  60           HA       VAL  60  19.134   5.130  -4.113
  457    HB   VAL  60           HB       VAL  60  17.966   3.813  -6.578
  458   1HG1  VAL  60          HG11      VAL  60  16.420   5.737  -6.589
  459   2HG1  VAL  60          HG12      VAL  60  16.225   4.836  -5.076
  460   3HG1  VAL  60          HG13      VAL  60  17.131   6.342  -5.064
  461   1HG2  VAL  60          HG21      VAL  60  20.146   5.164  -6.862
  462   2HG2  VAL  60          HG22      VAL  60  18.759   5.727  -7.768
  463   3HG2  VAL  60          HG23      VAL  60  19.257   6.564  -6.266
  464    H    SER  61           H        SER  61  18.203   1.672  -4.823
  465    HA   SER  61           HA       SER  61  15.972   1.715  -3.054
  466   1HB   SER  61          HB2       SER  61  16.501  -0.023  -4.801
  467   2HB   SER  61          HB3       SER  61  17.738  -0.673  -3.703
  468    HG   SER  61           HG       SER  61  15.637  -1.686  -3.574
  469    H    GLY  62           H        GLY  62  19.499   1.152  -2.487
  470   1HA   GLY  62          HA2       GLY  62  19.382   0.487   0.249
  471   2HA   GLY  62          HA3       GLY  62  20.713   1.318  -0.579
  472    H    ASP  63           H        ASP  63  19.653   3.777  -1.303
  473    HA   ASP  63           HA       ASP  63  19.629   5.185   1.160
  474   1HB   ASP  63          HB2       ASP  63  20.342   6.185  -1.000
  475   2HB   ASP  63          HB3       ASP  63  18.657   6.211  -1.529
  476    H    MET  64           H        MET  64  16.905   4.450  -1.125
  477    HA   MET  64           HA       MET  64  14.843   5.595   0.433
  478   1HB   MET  64          HB2       MET  64  14.835   3.095  -1.310
  479   2HB   MET  64          HB3       MET  64  13.392   3.917  -0.727
  480   1HG   MET  64          HG2       MET  64  15.383   5.086  -2.683
  481   2HG   MET  64          HG3       MET  64  13.773   4.493  -3.026
  482   1HE   MET  64          HE1       MET  64  15.019   8.601  -1.593
  483   2HE   MET  64          HE2       MET  64  15.761   7.163  -0.879
  484   3HE   MET  64          HE3       MET  64  15.875   7.442  -2.635
  485    H    GLN  65           H        GLN  65  16.226   2.247   0.690
  486    HA   GLN  65           HA       GLN  65  14.448   1.475   2.773
  487   1HB   GLN  65          HB2       GLN  65  17.139   0.497   1.750
  488   2HB   GLN  65          HB3       GLN  65  16.366  -0.269   3.141
  489   1HG   GLN  65          HG2       GLN  65  14.452  -0.935   1.822
  490   2HG   GLN  65          HG3       GLN  65  15.005  -0.013   0.427
  491   1HE2  GLN  65          HE22      GLN  65  16.069  -1.270  -1.141
  492   2HE2  GLN  65          HE21      GLN  65  16.901  -2.764  -0.789
  493    H    LYS  66           H        LYS  66  17.644   3.124   2.861
  494    HA   LYS  66           HA       LYS  66  17.963   3.043   5.705
  495   1HB   LYS  66          HB2       LYS  66  19.784   3.588   4.225
  496   2HB   LYS  66          HB3       LYS  66  18.886   4.911   3.515
  497   1HG   LYS  66          HG2       LYS  66  18.994   6.107   5.770
  498   2HG   LYS  66          HG3       LYS  66  20.064   4.800   6.308
  499   1HD   LYS  66          HD2       LYS  66  21.450   6.630   5.562
  500   2HD   LYS  66          HD3       LYS  66  21.567   5.340   4.346
  501   1HE   LYS  66          HE2       LYS  66  19.826   6.542   2.974
  502   2HE   LYS  66          HE3       LYS  66  19.798   7.836   4.169
  503   1HZ   LYS  66          HZ1       LYS  66  21.987   8.445   3.550
  504   2HZ   LYS  66          HZ2       LYS  66  22.249   7.065   2.701
  505   3HZ   LYS  66          HZ3       LYS  66  21.174   8.157   2.139
  506    H    GLN  67           H        GLN  67  16.200   5.358   3.517
  507    HA   GLN  67           HA       GLN  67  15.232   6.996   5.681
  508   1HB   GLN  67          HB2       GLN  67  13.959   6.507   2.956
  509   2HB   GLN  67          HB3       GLN  67  13.522   7.759   4.118
  510   1HG   GLN  67          HG2       GLN  67  15.922   8.616   3.969
  511   2HG   GLN  67          HG3       GLN  67  16.178   7.467   2.661
  512   1HE2  GLN  67          HE22      GLN  67  16.450   8.799   0.850
  513   2HE2  GLN  67          HE21      GLN  67  15.274  10.020   0.401
  514    H    GLY  68           H        GLY  68  14.059   4.006   4.215
  515   1HA   GLY  68          HA2       GLY  68  13.336   2.487   6.151
  516   2HA   GLY  68          HA3       GLY  68  12.021   3.638   6.368
  517    H    CYS  69           H        CYS  69  12.528   3.625   3.093
  518    HA   CYS  69           HA       CYS  69   9.931   2.484   2.623
  519   1HB   CYS  69          HB2       CYS  69  12.141   3.605   0.885
  520   2HB   CYS  69          HB3       CYS  69  10.593   3.058   0.220
  521    HG   CYS  69           HG       CYS  69   9.074   4.646   1.264
  522    H    ASP  70           H        ASP  70   9.702   1.104   0.568
  523    HA   ASP  70           HA       ASP  70  11.730  -1.012   0.253
  524   1HB   ASP  70          HB2       ASP  70   9.985  -2.046   1.646
  525   2HB   ASP  70          HB3       ASP  70   8.729  -1.463   0.546
  526    H    CYS  71           H        CYS  71  11.859  -1.579  -2.012
  527    HA   CYS  71           HA       CYS  71  10.327   0.172  -3.851
  528   1HB   CYS  71          HB2       CYS  71  13.375   0.025  -3.663
  529   2HB   CYS  71          HB3       CYS  71  12.437   1.003  -4.798
  530    HG   CYS  71           HG       CYS  71  13.550   2.514  -3.011
  531    H    GLU  72           H        GLU  72  10.970  -0.208  -6.172
  532    HA   GLU  72           HA       GLU  72  12.492  -2.578  -6.820
  533   1HB   GLU  72          HB2       GLU  72  10.723  -3.601  -8.240
  534   2HB   GLU  72          HB3       GLU  72  10.449  -3.773  -6.509
  535   1HG   GLU  72          HG2       GLU  72   8.761  -1.948  -6.591
  536   2HG   GLU  72          HG3       GLU  72   9.038  -1.776  -8.324
  537    H    CYS  73           H        CYS  73  13.453  -2.281  -8.848
  538    HA   CYS  73           HA       CYS  73  12.988   0.203 -10.308
  539   1HB   CYS  73          HB2       CYS  73  14.581  -0.931 -11.959
  540   2HB   CYS  73          HB3       CYS  73  15.242  -0.536 -10.374
  541    HG   CYS  73           HG       CYS  73  13.930  -3.413 -11.324
  542    H    LEU  74           H        LEU  74  11.184   0.419 -11.538
  543    HA   LEU  74           HA       LEU  74   9.593  -1.887 -12.375
  544   1HB   LEU  74          HB2       LEU  74   9.420   1.056 -13.148
  545   2HB   LEU  74          HB3       LEU  74   8.237  -0.182 -13.543
  546    HG   LEU  74           HG       LEU  74   8.900   0.874 -10.766
  547   1HD1  LEU  74          HD11      LEU  74   7.489   2.329 -12.198
  548   2HD1  LEU  74          HD12      LEU  74   6.346   0.994 -12.431
  549   3HD1  LEU  74          HD13      LEU  74   6.586   1.691 -10.817
  550   1HD2  LEU  74          HD21      LEU  74   7.027  -0.574  -9.961
  551   2HD2  LEU  74          HD22      LEU  74   6.971  -1.357 -11.555
  552   3HD2  LEU  74          HD23      LEU  74   8.411  -1.510 -10.522
  553    H    GLY  75           H        GLY  75  12.181   0.086 -13.701
  554   1HA   GLY  75          HA2       GLY  75  13.033  -1.699 -15.630
  555   2HA   GLY  75          HA3       GLY  75  11.918  -0.598 -16.460
  556    H    GLY  76           H        GLY  76  13.989   0.062 -17.587
  557   1HA   GLY  76          HA2       GLY  76  14.714   2.633 -16.600
  558   2HA   GLY  76          HA3       GLY  76  16.080   1.518 -16.409
  559    H    GLY  77           H        GLY  77  17.105   2.969 -17.991
  560   1HA   GLY  77          HA2       GLY  77  17.150   2.019 -20.669
  561   2HA   GLY  77          HA3       GLY  77  16.183   3.506 -20.570
  562    H    ARG  78           H        ARG  78  17.911   4.646 -21.777
  563    HA   ARG  78           HA       ARG  78  19.985   5.546 -19.887
  564   1HB   ARG  78          HB2       ARG  78  21.779   5.429 -21.340
  565   2HB   ARG  78          HB3       ARG  78  21.009   3.855 -21.481
  566   1HG   ARG  78          HG2       ARG  78  19.949   4.626 -23.646
  567   2HG   ARG  78          HG3       ARG  78  20.787   6.181 -23.434
  568   1HD   ARG  78          HD2       ARG  78  22.184   4.991 -24.889
  569   2HD   ARG  78          HD3       ARG  78  22.955   4.910 -23.293
  570    HE   ARG  78           HE       ARG  78  21.201   2.679 -24.249
  571   1HH1  ARG  78          HH21      ARG  78  24.540   3.803 -23.724
  572   2HH1  ARG  78          HH22      ARG  78  25.222   2.223 -23.773
  573   1HH2  ARG  78          HH11      ARG  78  22.083   0.593 -24.220
  574   2HH2  ARG  78          HH12      ARG  78  23.784   0.340 -23.965
  575    H    ILE  79           H        ILE  79  20.966   7.594 -20.644
  576    HA   ILE  79           HA       ILE  79  18.854   9.372 -21.698
  577    HB   ILE  79           HB       ILE  79  20.354   9.379 -19.047
  578   1HG1  ILE  79          HG12      ILE  79  17.436   9.547 -19.912
  579   2HG1  ILE  79          HG13      ILE  79  18.216   8.237 -19.042
  580   1HG2  ILE  79          HG21      ILE  79  20.603  11.676 -20.038
  581   2HG2  ILE  79          HG22      ILE  79  18.844  11.723 -20.319
  582   3HG2  ILE  79          HG23      ILE  79  19.512  11.716 -18.673
  583   1HD1  ILE  79          HD11      ILE  79  17.482  10.987 -17.964
  584   2HD1  ILE  79          HD12      ILE  79  16.836   9.419 -17.487
  585   3HD1  ILE  79          HD13      ILE  79  18.516   9.836 -17.081
  586    H    SER  80           H        SER  80  19.643  10.994 -22.960
  587    HA   SER  80           HA       SER  80  22.572  11.397 -23.202
  588   1HB   SER  80          HB2       SER  80  20.712  10.671 -25.514
  589   2HB   SER  80          HB3       SER  80  22.432  11.069 -25.638
  590    HG   SER  80           HG       SER  80  22.089   8.826 -25.665
  591    H    HIS  81           H        HIS  81  23.039  13.508 -23.644
  592    HA   HIS  81           HA       HIS  81  21.009  15.543 -23.993
  593   1HB   HIS  81          HB2       HIS  81  23.218  15.967 -23.000
  594   2HB   HIS  81          HB3       HIS  81  24.011  15.456 -24.487
  595    HD1  HIS  81           HD1      HIS  81  21.065  18.015 -24.636
  596    HD2  HIS  81           HD2      HIS  81  25.275  17.725 -24.810
  597    HE1  HIS  81           HE1      HIS  81  21.922  20.273 -25.373
  598    H    GLN  82           H        GLN  82  20.173  16.391 -25.973
  599    HA   GLN  82           HA       GLN  82  20.316  14.681 -28.278
  600   1HB   GLN  82          HB2       GLN  82  19.275  17.528 -27.959
  601   2HB   GLN  82          HB3       GLN  82  19.185  16.574 -29.446
  602   1HG   GLN  82          HG2       GLN  82  17.964  14.781 -28.044
  603   2HG   GLN  82          HG3       GLN  82  17.798  16.014 -26.796
  604   1HE2  GLN  82          HE22      GLN  82  15.382  15.183 -27.479
  605   2HE2  GLN  82          HE21      GLN  82  14.644  16.105 -28.747
  606    H    SER  83           H        SER  83  21.445  14.902 -30.204
  607    HA   SER  83           HA       SER  83  24.088  15.580 -29.924
  608   1HB   SER  83          HB2       SER  83  22.619  15.311 -32.568
  609   2HB   SER  83          HB3       SER  83  24.297  14.870 -32.205
  610    HG   SER  83           HG       SER  83  22.903  13.049 -32.221
  611    H    GLN  84           H        GLN  84  21.537  17.736 -31.069
  612    HA   GLN  84           HA       GLN  84  23.504  19.875 -31.595
  613   1HB   GLN  84          HB2       GLN  84  22.590  20.282 -33.844
  614   2HB   GLN  84          HB3       GLN  84  23.340  18.700 -33.721
  615   1HG   GLN  84          HG2       GLN  84  21.129  17.611 -33.554
  616   2HG   GLN  84          HG3       GLN  84  20.329  19.184 -33.583
  617   1HE2  GLN  84          HE22      GLN  84  20.323  20.420 -35.598
  618   2HE2  GLN  84          HE21      GLN  84  20.677  19.643 -37.120
  619    H    ASP  85           H        ASP  85  21.351  19.367 -29.531
  620    HA   ASP  85           HA       ASP  85  19.823  21.858 -29.834
  621   1HB   ASP  85          HB2       ASP  85  18.413  20.222 -31.021
  622   2HB   ASP  85          HB3       ASP  85  18.527  19.110 -29.657
  623    H    LYS  86           H        LYS  86  18.933  22.518 -27.771
  624    HA   LYS  86           HA       LYS  86  20.691  21.995 -25.645
  625   1HB   LYS  86          HB2       LYS  86  19.252  23.427 -24.309
  626   2HB   LYS  86          HB3       LYS  86  19.554  24.101 -25.909
  627   1HG   LYS  86          HG2       LYS  86  17.282  23.366 -26.645
  628   2HG   LYS  86          HG3       LYS  86  17.001  22.648 -25.056
  629   1HD   LYS  86          HD2       LYS  86  15.874  24.773 -25.198
  630   2HD   LYS  86          HD3       LYS  86  17.166  24.864 -23.991
  631   1HE   LYS  86          HE2       LYS  86  18.616  26.034 -25.639
  632   2HE   LYS  86          HE3       LYS  86  17.348  25.892 -26.864
  633   1HZ   LYS  86          HZ1       LYS  86  17.111  27.422 -24.335
  634   2HZ   LYS  86          HZ2       LYS  86  17.337  28.064 -25.815
  635   3HZ   LYS  86          HZ3       LYS  86  15.941  27.298 -25.474
  636    H    LYS  87           H        LYS  87  17.697  20.270 -26.430
  637    HA   LYS  87           HA       LYS  87  17.030  19.590 -23.726
  638   1HB   LYS  87          HB2       LYS  87  16.203  18.360 -26.385
  639   2HB   LYS  87          HB3       LYS  87  15.481  17.934 -24.831
  640   1HG   LYS  87          HG2       LYS  87  14.865  20.338 -24.467
  641   2HG   LYS  87          HG3       LYS  87  15.419  20.713 -26.085
  642   1HD   LYS  87          HD2       LYS  87  13.156  18.825 -25.315
  643   2HD   LYS  87          HD3       LYS  87  12.989  20.418 -26.046
  644   1HE   LYS  87          HE2       LYS  87  14.231  17.957 -27.350
  645   2HE   LYS  87          HE3       LYS  87  12.626  18.614 -27.685
  646   1HZ   LYS  87          HZ1       LYS  87  14.220  19.319 -29.346
  647   2HZ   LYS  87          HZ2       LYS  87  13.702  20.630 -28.521
  648   3HZ   LYS  87          HZ3       LYS  87  15.196  20.006 -28.225
  649    H    ILE  88           H        ILE  88  16.639  17.279 -23.112
  650    HA   ILE  88           HA       ILE  88  18.890  15.448 -23.756
  651    HB   ILE  88           HB       ILE  88  17.689  16.160 -21.055
  652   1HG1  ILE  88          HG12      ILE  88  20.601  16.026 -21.935
  653   2HG1  ILE  88          HG13      ILE  88  19.642  17.502 -21.943
  654   1HG2  ILE  88          HG21      ILE  88  18.968  14.325 -20.040
  655   2HG2  ILE  88          HG22      ILE  88  17.760  13.711 -21.145
  656   3HG2  ILE  88          HG23      ILE  88  19.471  13.769 -21.649
  657   1HD1  ILE  88          HD11      ILE  88  20.479  15.886 -19.513
  658   2HD1  ILE  88          HD12      ILE  88  20.949  17.529 -19.967
  659   3HD1  ILE  88          HD13      ILE  88  19.280  17.203 -19.458
  660    H    HIS  89           H        HIS  89  18.217  13.201 -23.667
  661    HA   HIS  89           HA       HIS  89  15.328  12.804 -24.264
  662   1HB   HIS  89          HB2       HIS  89  16.908  13.079 -26.255
  663   2HB   HIS  89          HB3       HIS  89  17.713  11.603 -25.728
  664    HD1  HIS  89           HD1      HIS  89  14.237  12.797 -26.923
  665    HD2  HIS  89           HD2      HIS  89  16.652   9.364 -26.659
  666    HE1  HIS  89           HE1      HIS  89  13.024  10.957 -28.229
  667    H    VAL  90           H        VAL  90  14.533  10.752 -23.642
  668    HA   VAL  90           HA       VAL  90  16.289   9.040 -21.936
  669    HB   VAL  90           HB       VAL  90  13.345   9.719 -21.492
  670   1HG1  VAL  90          HG11      VAL  90  13.696   8.739 -19.278
  671   2HG1  VAL  90          HG12      VAL  90  14.177   7.582 -20.526
  672   3HG1  VAL  90          HG13      VAL  90  15.413   8.469 -19.624
  673   1HG2  VAL  90          HG21      VAL  90  14.484  11.820 -21.131
  674   2HG2  VAL  90          HG22      VAL  90  14.069  11.131 -19.564
  675   3HG2  VAL  90          HG23      VAL  90  15.742  11.039 -20.154
  676    H    TYR  91           H        TYR  91  16.334   6.926 -22.809
  677    HA   TYR  91           HA       TYR  91  14.014   5.893 -24.264
  678   1HB   TYR  91          HB2       TYR  91  14.943   5.914 -26.426
  679   2HB   TYR  91          HB3       TYR  91  15.109   7.537 -25.844
  680    HD1  TYR  91           HD1      TYR  91  16.698   5.227 -27.769
  681    HD2  TYR  91           HD2      TYR  91  17.585   7.832 -24.442
  682    HE1  TYR  91           HE1      TYR  91  19.111   5.091 -28.305
  683    HE2  TYR  91           HE2      TYR  91  19.967   7.687 -24.950
  684    HH   TYR  91           HH       TYR  91  21.261   5.785 -27.716
  685    H    GLY  92           H        GLY  92  14.942   3.834 -25.611
  686   1HA   GLY  92          HA2       GLY  92  16.112   1.844 -25.598
  687   2HA   GLY  92          HA3       GLY  92  17.198   2.497 -24.364
  688    H    TYR  93           H        TYR  93  17.105   0.447 -23.339
  689    HA   TYR  93           HA       TYR  93  14.848   0.059 -21.518
  690   1HB   TYR  93          HB2       TYR  93  14.886  -2.401 -22.015
  691   2HB   TYR  93          HB3       TYR  93  14.222  -1.428 -23.315
  692    HD1  TYR  93           HD1      TYR  93  17.053  -3.577 -22.272
  693    HD2  TYR  93           HD2      TYR  93  15.373  -1.222 -25.476
  694    HE1  TYR  93           HE1      TYR  93  18.656  -4.597 -23.850
  695    HE2  TYR  93           HE2      TYR  93  16.967  -2.247 -27.068
  696    HH   TYR  93           HH       TYR  93  19.406  -4.690 -26.060
  697    H    SER  94           H        SER  94  15.573  -1.104 -19.584
  698    HA   SER  94           HA       SER  94  18.411  -0.754 -19.129
  699   1HB   SER  94          HB2       SER  94  18.017  -1.676 -16.903
  700   2HB   SER  94          HB3       SER  94  16.907  -0.362 -17.276
  701    HG   SER  94           HG       SER  94  15.293  -1.954 -17.713
  702    H    MET  95           H        MET  95  20.006  -2.260 -19.159
  703    HA   MET  95           HA       MET  95  19.696  -4.622 -20.673
  704   1HB   MET  95          HB2       MET  95  21.909  -3.790 -18.746
  705   2HB   MET  95          HB3       MET  95  22.038  -5.111 -19.902
  706   1HG   MET  95          HG2       MET  95  21.637  -2.174 -20.570
  707   2HG   MET  95          HG3       MET  95  23.121  -3.094 -20.753
  708   1HE   MET  95          HE1       MET  95  23.566  -4.916 -22.589
  709   2HE   MET  95          HE2       MET  95  22.147  -5.876 -22.107
  710   3HE   MET  95          HE3       MET  95  22.380  -5.428 -23.808
  711    H    ALA  96           H        ALA  96  18.631  -4.231 -17.477
  712    HA   ALA  96           HA       ALA  96  18.861  -7.157 -16.936
  713   1HB   ALA  96          HB1       ALA  96  20.492  -5.923 -15.589
  714   2HB   ALA  96          HB2       ALA  96  19.207  -4.859 -14.973
  715   3HB   ALA  96          HB3       ALA  96  19.205  -6.586 -14.563
  716    H    TYR  97           H        TYR  97  16.685  -4.337 -16.971
  717    HA   TYR  97           HA       TYR  97  14.572  -6.052 -15.764
  718   1HB   TYR  97          HB2       TYR  97  14.869  -3.099 -15.184
  719   2HB   TYR  97          HB3       TYR  97  13.849  -4.271 -14.382
  720    HD1  TYR  97           HD1      TYR  97  15.060  -6.217 -13.091
  721    HD2  TYR  97           HD2      TYR  97  16.989  -2.552 -14.300
  722    HE1  TYR  97           HE1      TYR  97  16.842  -6.609 -11.414
  723    HE2  TYR  97           HE2      TYR  97  18.769  -2.925 -12.620
  724    HH   TYR  97           HH       TYR  97  19.606  -4.367 -10.967
  725    H    GLY  98           H        GLY  98  15.428  -4.484 -18.583
  726   1HA   GLY  98          HA2       GLY  98  14.130  -4.265 -20.481
  727   2HA   GLY  98          HA3       GLY  98  12.671  -4.578 -19.539
  728    HA   PRO  99           HA       PRO  99  13.011  -0.016 -20.558
  729   1HB   PRO  99          HB2       PRO  99  10.702   0.304 -21.987
  730   2HB   PRO  99          HB3       PRO  99  12.233  -0.251 -22.725
  731   1HG   PRO  99          HG2       PRO  99   9.884  -1.928 -21.810
  732   2HG   PRO  99          HG3       PRO  99  10.814  -2.057 -23.335
  733   1HD   PRO  99          HD2       PRO  99  11.277  -3.660 -21.152
  734   2HD   PRO  99          HD3       PRO  99  12.583  -3.166 -22.267
  735    H    ALA 100           H        ALA 100  12.215   1.477 -19.201
  736    HA   ALA 100           HA       ALA 100  10.106   0.831 -17.254
  737   1HB   ALA 100          HB1       ALA 100  10.587   3.130 -16.483
  738   2HB   ALA 100          HB2       ALA 100  12.114   2.265 -16.693
  739   3HB   ALA 100          HB3       ALA 100  11.567   3.414 -17.931
  740    H    GLN 101           H        GLN 101   8.440   2.686 -16.967
  741    HA   GLN 101           HA       GLN 101   7.043   3.295 -19.509
  742   1HB   GLN 101          HB2       GLN 101   6.445   3.724 -16.562
  743   2HB   GLN 101          HB3       GLN 101   5.523   4.554 -17.833
  744   1HG   GLN 101          HG2       GLN 101   4.819   2.463 -18.790
  745   2HG   GLN 101          HG3       GLN 101   5.807   1.545 -17.630
  746   1HE2  GLN 101          HE22      GLN 101   2.964   3.753 -17.895
  747   2HE2  GLN 101          HE21      GLN 101   2.217   3.233 -16.408
  748    H    HIS 102           H        HIS 102   8.935   4.451 -20.339
  749    HA   HIS 102           HA       HIS 102  10.293   6.479 -19.045
  750   1HB   HIS 102          HB2       HIS 102   9.754   5.960 -21.976
  751   2HB   HIS 102          HB3       HIS 102  10.870   7.225 -21.435
  752    HD1  HIS 102           HD1      HIS 102  10.962   3.597 -22.261
  753    HD2  HIS 102           HD2      HIS 102  12.676   6.198 -19.441
  754    HE1  HIS 102           HE1      HIS 102  12.940   2.354 -21.236
  755    H    ALA 103           H        ALA 103   7.074   6.732 -20.131
  756    HA   ALA 103           HA       ALA 103   6.888   9.572 -20.558
  757   1HB   ALA 103          HB1       ALA 103   5.116   8.060 -21.281
  758   2HB   ALA 103          HB2       ALA 103   4.859   7.484 -19.613
  759   3HB   ALA 103          HB3       ALA 103   4.470   9.166 -20.058
  760    H    ILE 104           H        ILE 104   6.839   7.454 -17.635
  761    HA   ILE 104           HA       ILE 104   6.082   9.468 -15.747
  762    HB   ILE 104           HB       ILE 104   7.851   7.007 -15.346
  763   1HG1  ILE 104          HG12      ILE 104   4.813   7.223 -15.167
  764   2HG1  ILE 104          HG13      ILE 104   5.742   6.345 -16.386
  765   1HG2  ILE 104          HG21      ILE 104   7.915   8.615 -13.482
  766   2HG2  ILE 104          HG22      ILE 104   6.142   8.557 -13.350
  767   3HG2  ILE 104          HG23      ILE 104   7.138   7.124 -12.995
  768   1HD1  ILE 104          HD11      ILE 104   6.684   4.889 -14.595
  769   2HD1  ILE 104          HD12      ILE 104   5.506   5.613 -13.466
  770   3HD1  ILE 104          HD13      ILE 104   4.945   4.721 -14.893
  771    H    SER 105           H        SER 105   9.252   8.240 -16.968
  772    HA   SER 105           HA       SER 105  10.948   9.749 -15.431
  773   1HB   SER 105          HB2       SER 105  11.457   9.062 -18.344
  774   2HB   SER 105          HB3       SER 105  12.606   9.155 -17.016
  775    HG   SER 105           HG       SER 105  12.145   6.983 -17.198
  776    H    THR 106           H        THR 106   9.790  10.602 -18.765
  777    HA   THR 106           HA       THR 106  11.047  13.146 -18.708
  778    HB   THR 106           HB       THR 106   9.430  13.628 -20.652
  779    HG1  THR 106           HG1      THR 106   7.808  12.138 -20.260
  780   1HG2  THR 106          HG21      THR 106  11.764  12.824 -20.899
  781   2HG2  THR 106          HG22      THR 106  11.191  11.145 -20.784
  782   3HG2  THR 106          HG23      THR 106  10.679  12.175 -22.141
  783    H    GLU 107           H        GLU 107   7.649  12.248 -17.773
  784    HA   GLU 107           HA       GLU 107   6.817  14.957 -17.509
  785   1HB   GLU 107          HB2       GLU 107   5.865  12.355 -16.257
  786   2HB   GLU 107          HB3       GLU 107   5.101  13.895 -15.881
  787   1HG   GLU 107          HG2       GLU 107   5.373  12.821 -18.722
  788   2HG   GLU 107          HG3       GLU 107   3.968  12.561 -17.695
  789    H    LYS 108           H        LYS 108   8.287  12.684 -15.127
  790    HA   LYS 108           HA       LYS 108   8.171  14.559 -12.946
  791   1HB   LYS 108          HB2       LYS 108   9.866  12.090 -13.485
  792   2HB   LYS 108          HB3       LYS 108   9.980  13.043 -11.992
  793   1HG   LYS 108          HG2       LYS 108   7.605  12.713 -11.531
  794   2HG   LYS 108          HG3       LYS 108   7.420  11.742 -12.995
  795   1HD   LYS 108          HD2       LYS 108   8.906  10.030 -12.157
  796   2HD   LYS 108          HD3       LYS 108   9.384  11.005 -10.768
  797   1HE   LYS 108          HE2       LYS 108   6.455  10.375 -11.245
  798   2HE   LYS 108          HE3       LYS 108   7.504   9.167 -10.480
  799   1HZ   LYS 108          HZ1       LYS 108   6.305  10.895  -8.987
  800   2HZ   LYS 108          HZ2       LYS 108   7.876  10.490  -8.682
  801   3HZ   LYS 108          HZ3       LYS 108   7.572  11.890  -9.403
  802    H    ILE 109           H        ILE 109  10.762  13.824 -15.362
  803    HA   ILE 109           HA       ILE 109  12.642  15.671 -14.278
  804    HB   ILE 109           HB       ILE 109  12.212  14.500 -17.046
  805   1HG1  ILE 109          HG12      ILE 109  14.580  14.213 -15.130
  806   2HG1  ILE 109          HG13      ILE 109  13.159  13.174 -15.006
  807   1HG2  ILE 109          HG21      ILE 109  13.217  16.721 -17.447
  808   2HG2  ILE 109          HG22      ILE 109  14.429  16.409 -16.196
  809   3HG2  ILE 109          HG23      ILE 109  14.434  15.471 -17.683
  810   1HD1  ILE 109          HD11      ILE 109  14.872  12.025 -16.271
  811   2HD1  ILE 109          HD12      ILE 109  13.519  12.402 -17.354
  812   3HD1  ILE 109          HD13      ILE 109  15.018  13.358 -17.418
  813    H    LYS 110           H        LYS 110  10.048  16.202 -16.786
  814    HA   LYS 110           HA       LYS 110  10.656  18.949 -17.139
  815   1HB   LYS 110          HB2       LYS 110   8.083  17.360 -17.494
  816   2HB   LYS 110          HB3       LYS 110   8.200  19.082 -17.890
  817   1HG   LYS 110          HG2       LYS 110   9.978  18.687 -19.493
  818   2HG   LYS 110          HG3       LYS 110  10.068  16.977 -19.055
  819   1HD   LYS 110          HD2       LYS 110   7.794  16.593 -19.903
  820   2HD   LYS 110          HD3       LYS 110   7.649  18.318 -20.330
  821   1HE   LYS 110          HE2       LYS 110   9.612  18.108 -21.842
  822   2HE   LYS 110          HE3       LYS 110   9.784  16.407 -21.404
  823   1HZ   LYS 110          HZ1       LYS 110   7.595  16.010 -22.414
  824   2HZ   LYS 110          HZ2       LYS 110   7.477  17.582 -22.852
  825   3HZ   LYS 110          HZ3       LYS 110   8.654  16.638 -23.486
  826    H    ALA 111           H        ALA 111   8.511  17.378 -14.709
  827    HA   ALA 111           HA       ALA 111   7.537  19.799 -13.583
  828   1HB   ALA 111          HB1       ALA 111   6.523  17.587 -13.161
  829   2HB   ALA 111          HB2       ALA 111   7.966  17.087 -12.249
  830   3HB   ALA 111          HB3       ALA 111   6.946  18.405 -11.645
  831    H    LYS 112           H        LYS 112  10.402  17.779 -12.656
  832    HA   LYS 112           HA       LYS 112  11.116  19.611 -10.521
  833   1HB   LYS 112          HB2       LYS 112  12.508  17.204 -11.740
  834   2HB   LYS 112          HB3       LYS 112  13.216  18.142 -10.432
  835   1HG   LYS 112          HG2       LYS 112  10.535  16.700 -10.341
  836   2HG   LYS 112          HG3       LYS 112  12.028  16.158  -9.583
  837   1HD   LYS 112          HD2       LYS 112  10.357  18.570  -8.791
  838   2HD   LYS 112          HD3       LYS 112  10.558  17.064  -7.909
  839   1HE   LYS 112          HE2       LYS 112  12.981  17.545  -7.600
  840   2HE   LYS 112          HE3       LYS 112  12.793  19.065  -8.481
  841   1HZ   LYS 112          HZ1       LYS 112  11.442  18.417  -5.924
  842   2HZ   LYS 112          HZ2       LYS 112  12.718  19.415  -6.099
  843   3HZ   LYS 112          HZ3       LYS 112  11.280  19.821  -6.744
  844    H    TYR 113           H        TYR 113  11.850  19.537 -13.897
  845    HA   TYR 113           HA       TYR 113  13.054  20.818 -15.238
  846   1HB   TYR 113          HB2       TYR 113  11.483  22.425 -13.969
  847   2HB   TYR 113          HB3       TYR 113  12.913  23.011 -13.154
  848    HD1  TYR 113           HD1      TYR 113  14.538  24.441 -14.388
  849    HD2  TYR 113           HD2      TYR 113  11.085  22.752 -16.352
  850    HE1  TYR 113           HE1      TYR 113  14.856  26.004 -16.279
  851    HE2  TYR 113           HE2      TYR 113  11.372  24.335 -18.229
  852    HH   TYR 113           HH       TYR 113  12.633  26.085 -19.105
  853    HA   PRO 114           HA       PRO 114  17.212  20.391 -13.080
  854   1HB   PRO 114          HB2       PRO 114  18.107  18.008 -14.012
  855   2HB   PRO 114          HB3       PRO 114  17.020  18.093 -12.589
  856   1HG   PRO 114          HG2       PRO 114  16.288  17.546 -15.468
  857   2HG   PRO 114          HG3       PRO 114  15.795  16.628 -14.008
  858   1HD   PRO 114          HD2       PRO 114  14.241  18.590 -15.177
  859   2HD   PRO 114          HD3       PRO 114  14.205  18.234 -13.420
  860    H    ASP 115           H        ASP 115  15.704  20.186 -16.212
  861    HA   ASP 115           HA       ASP 115  17.846  21.642 -17.519
  862   1HB   ASP 115          HB2       ASP 115  18.485  19.285 -17.978
  863   2HB   ASP 115          HB3       ASP 115  16.856  18.957 -18.580
  864    H    TYR 116           H        TYR 116  16.965  22.348 -19.712
  865    HA   TYR 116           HA       TYR 116  14.706  23.891 -19.289
  866   1HB   TYR 116          HB2       TYR 116  16.467  24.407 -20.887
  867   2HB   TYR 116          HB3       TYR 116  16.051  23.012 -21.871
  868    HD1  TYR 116           HD1      TYR 116  14.947  26.401 -20.801
  869    HD2  TYR 116           HD2      TYR 116  14.205  23.072 -23.445
  870    HE1  TYR 116           HE1      TYR 116  13.384  27.799 -22.120
  871    HE2  TYR 116           HE2      TYR 116  12.636  24.454 -24.762
  872    HH   TYR 116           HH       TYR 116  11.629  26.545 -24.999
  873    H    GLU 117           H        GLU 117  14.856  20.884 -21.321
  874    HA   GLU 117           HA       GLU 117  12.169  20.138 -20.699
  875   1HB   GLU 117          HB2       GLU 117  11.745  21.945 -22.403
  876   2HB   GLU 117          HB3       GLU 117  12.736  21.064 -23.565
  877   1HG   GLU 117          HG2       GLU 117  11.120  19.239 -23.610
  878   2HG   GLU 117          HG3       GLU 117  10.235  19.954 -22.253
  879    H    VAL 118           H        VAL 118  11.763  17.973 -21.806
  880    HA   VAL 118           HA       VAL 118  14.149  16.726 -22.953
  881    HB   VAL 118           HB       VAL 118  13.875  14.749 -21.450
  882   1HG1  VAL 118          HG11      VAL 118  14.567  17.212 -19.818
  883   2HG1  VAL 118          HG12      VAL 118  15.283  15.579 -19.755
  884   3HG1  VAL 118          HG13      VAL 118  15.574  16.629 -21.146
  885   1HG2  VAL 118          HG21      VAL 118  11.553  15.260 -20.629
  886   2HG2  VAL 118          HG22      VAL 118  12.717  14.875 -19.361
  887   3HG2  VAL 118          HG23      VAL 118  12.243  16.564 -19.638
  888    H    THR 119           H        THR 119  13.583  14.377 -23.578
  889    HA   THR 119           HA       THR 119  10.852  14.171 -24.700
  890    HB   THR 119           HB       THR 119  12.083  13.593 -26.916
  891    HG1  THR 119           HG1      THR 119  14.089  15.076 -25.542
  892   1HG2  THR 119          HG21      THR 119  10.694  15.600 -26.662
  893   2HG2  THR 119          HG22      THR 119  12.084  16.502 -26.018
  894   3HG2  THR 119          HG23      THR 119  12.107  15.895 -27.691
  895    H    TRP 120           H        TRP 120  10.621  11.922 -25.763
  896    HA   TRP 120           HA       TRP 120  12.620   9.998 -24.923
  897   1HB   TRP 120          HB2       TRP 120  11.161   8.473 -23.800
  898   2HB   TRP 120          HB3       TRP 120  11.061  10.000 -22.966
  899    HD1  TRP 120           HD1      TRP 120   8.713  11.453 -23.900
  900    HE1  TRP 120           HE1      TRP 120   6.327  10.536 -23.835
  901    HE3  TRP 120           HE3      TRP 120   9.784   6.474 -24.255
  902    HZ2  TRP 120           HZ2      TRP 120   5.035   7.940 -23.956
  903    HZ3  TRP 120           HZ3      TRP 120   7.965   4.794 -24.221
  904    HH2  TRP 120           HH2      TRP 120   5.589   5.512 -24.081
  905    H    ALA 121           H        ALA 121  12.032   7.787 -25.751
  906    HA   ALA 121           HA       ALA 121  10.070   7.692 -27.869
  907   1HB   ALA 121          HB1       ALA 121  12.098   8.383 -29.151
  908   2HB   ALA 121          HB2       ALA 121  13.028   7.057 -28.411
  909   3HB   ALA 121          HB3       ALA 121  11.687   6.696 -29.517
  910    H    ASN 122           H        ASN 122   9.361   5.533 -28.122
  911    HA   ASN 122           HA       ASN 122   9.892   3.861 -25.784
  912   1HB   ASN 122          HB2       ASN 122   7.591   4.462 -26.613
  913   2HB   ASN 122          HB3       ASN 122   7.900   3.485 -28.050
  914   1HD2  ASN 122          HD22      ASN 122   6.331   1.841 -27.641
  915   2HD2  ASN 122          HD21      ASN 122   6.408   0.785 -26.257
  916    H    ASP 123           H        ASP 123  12.130   3.957 -27.535
  917    HA   ASP 123           HA       ASP 123  12.585   1.169 -28.091
  918   1HB   ASP 123          HB2       ASP 123  11.458   2.236 -30.248
  919   2HB   ASP 123          HB3       ASP 123  13.037   2.990 -30.465
  920    H    GLY 124           H        GLY 124  15.041   1.276 -29.254
  921   1HA   GLY 124          HA2       GLY 124  16.975   2.951 -29.136
  922   2HA   GLY 124          HA3       GLY 124  16.609   3.029 -27.412
  923    H    TYR 125           H        TYR 125  18.673   2.234 -26.862
  924    HA   TYR 125           HA       TYR 125  18.903  -0.645 -26.772
  925   1HB   TYR 125          HB2       TYR 125  21.180  -0.705 -27.610
  926   2HB   TYR 125          HB3       TYR 125  20.100  -0.156 -28.874
  927    HD1  TYR 125           HD1      TYR 125  22.958   0.697 -26.753
  928    HD2  TYR 125           HD2      TYR 125  20.116   2.263 -29.593
  929    HE1  TYR 125           HE1      TYR 125  24.393   2.690 -27.079
  930    HE2  TYR 125           HE2      TYR 125  21.546   4.251 -29.943
  931    HH   TYR 125           HH       TYR 125  23.529   5.336 -29.356