*HEADER    HORMONE                                 24-NOV-16   5MHD              
*TITLE     BIOSYNTHETIC ENGINEERED A22S-B3K-B31R HUMAN INSULIN MONOMER STRUCTURE 
*TITLE    2 IN WATER/ACETONITRILE SOLUTIONS.                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSULIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CHAIN A;                                                   
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: INSULIN;                                                   
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: CHAIN B;                                                   
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: INS;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  11 ORGANISM_TAXID: 9606;                                                
*SOURCE  12 GENE: INS;                                                           
*SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    HUMAN INSULIN, WATER/ACETONITRILE SOLUTION, MUTANT, HORMONE           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.BOCIAN,L.KOZERSKI,E.BEDNAREK,J.SITKOWSKI                            
*REVDAT   1   09-AUG-17 5MHD    0                                                
# Restraints file 1: StrIns_All.RST
#
# 105 HIS  HA    106 LEU  H       3.21             (#peak     1 #SUP  1.00  #QF  0.80)
 &rst
  ixpk= 1, nxpk= 0, iat= 404, 419, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   6 CYSS HA     11 CYSS H       4.34             (#peak     3 #SUP  0.64  #QF  0.64)
 &rst
  ixpk= 3, nxpk= 0, iat=  80, 142, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  10 ILE  HA     11 CYSS H       3.44             (#peak     4 #SUP  1.00)
 &rst
  ixpk= 4, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  11 CYSS H      11 CYSS HB2     4.16             (#peak     5 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 5, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  11 CYSS H      11 CYSS HB3     4.16             (#peak     6 #SUP  1.00)
 &rst
  ixpk= 6, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  10 ILE  HB     11 CYSS H       4.19             (#peak    10 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 10, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  10 ILE  QG2    11 CYSS H       3.96             (#peak    11 #SUP  1.00)
 &rst
  ixpk= 11, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QD1    11 CYSS H       5.22             (#peak    12 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 12, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 136, 137, 138,
 &end
#
# 120 GLY  H     120 GLY  QA      2.82             (#peak    16 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 16, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2= 630, 631,
 &end
#
#  10 ILE  H      10 ILE  HB      3.99             (#peak    18 #SUP  1.00)
 &rst
  ixpk= 18, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  10 ILE  H      10 ILE  HG12    4.11             (#peak    19 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 19, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  10 ILE  H      10 ILE  HG13    4.11             (#peak    23 #SUP  0.89  #QF  0.83)
 &rst
  ixpk= 23, nxpk= 0, iat= 123, 134, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  10 ILE  H      10 ILE  QD1     4.61             (#peak    23 #SUP  0.89  #QF  0.83)
 &rst
  ixpk= 23, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 136, 137, 138,
 &end
#
# 118 VAL  QG1   120 GLY  H       5.50             (#peak    29 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 29, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
# 118 VAL  QG2   120 GLY  H       5.50             (#peak    30 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 30, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 612, 613, 614,
 &end
#
#  10 ILE  H      10 ILE  QG2     4.32             (#peak    31 #SUP  1.00)
 &rst
  ixpk= 31, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 129, 130, 131,
 &end
#
#   8 THR  HB      9 SER  H       4.09             (#peak    34 #SUP  1.00)
 &rst
  ixpk= 34, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   5 GLN  HA      9 SER  H       3.94             (#peak    37 #SUP  0.99  #QF  0.50)
 &rst
  ixpk= 37, nxpk= 0, iat=  63, 112, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   7 CYSS HB3     8 THR  H       4.15             (#peak    43 #SUP  1.00)
 &rst
  ixpk= 43, nxpk= 0, iat=  93,  98, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   4 GLU  H       4 GLU  HB2     3.31             (#peak    44 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 44, nxpk= 0, iat=  46,  50, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   3 VAL  HB      4 GLU  H       2.94             (#peak    50 #SUP  0.86  #QF  0.81)
 &rst
  ixpk= 50, nxpk= 0, iat=  34,  46, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   4 GLU  H       4 GLU  HB3     3.31             (#peak    50 #SUP  0.86  #QF  0.81)
 &rst
  ixpk= 50, nxpk= 0, iat=  46,  51, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   8 THR  H       8 THR  QG2     3.83             (#peak    51 #SUP  1.00)
 &rst
  ixpk= 51, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS H       7 CYSS HB2     3.60             (#peak    54 #SUP  1.00)
 &rst
  ixpk= 54, nxpk= 0, iat=  88,  92, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   7 CYSS H       7 CYSS HB3     3.60             (#peak    56 #SUP  0.99  #QF  0.63)
 &rst
  ixpk= 56, nxpk= 0, iat=  88,  93, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   7 CYSS H       8 THR  QG2     4.30             (#peak    58 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 58, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 104, 105, 106,
 &end
#
#   3 VAL  HA      5 GLN  H       4.86             (#peak    61 #SUP  0.90  #QF  0.68)
 &rst
  ixpk= 61, nxpk= 0, iat=  32,  61, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   3 VAL  HA      7 CYSS H       5.27             (#peak    61 #SUP  0.90  #QF  0.68)
 &rst
  ixpk= 61, nxpk= 0, iat=  32,  88, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 120 GLY  H     121 GLU  H       4.75             (#peak    75 #SUP  1.00)
 &rst
  ixpk= 75, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 121 GLU  H     123 GLY  H       5.18             (#peak    75 #SUP  1.00)
 &rst
  ixpk= 75, nxpk= 0, iat= 635, 674, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 118 VAL  H     120 GLY  H       4.65             (#peak    77 #SUP  1.00)
 &rst
  ixpk= 77, nxpk= 0, iat= 602, 628, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 119 CYSS H     120 GLY  H       3.38             (#peak    80 #SUP  1.00)
 &rst
  ixpk= 80, nxpk= 0, iat= 618, 628, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  10 ILE  QG2    10 ILE  QD1     2.78             (#peak    93 #SUP  0.78  #QF  0.26)
 &rst
  ixpk= 93, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 129, 130, 131,
 igr2= 136, 137, 138,
 &end
#
#  10 ILE  HB     10 ILE  QD1     3.65             (#peak    97 #SUP  1.00)
 &rst
  ixpk= 97, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 136, 137, 138,
 &end
#
#  10 ILE  QD1   103 LYS  QD      3.99             (#peak    98 #SUP  0.95  #QF  0.66)
 &rst
  ixpk= 98, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 136, 137, 138,
 igr2= 373, 374,
 &end
#
#   8 THR  H       9 SER  H       3.58             (#peak   100 #SUP  1.00)
 &rst
  ixpk= 100, nxpk= 0, iat=  98, 112, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   7 CYSS H       9 SER  H       4.24             (#peak   103 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 103, nxpk= 0, iat=  88, 112, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   6 CYSS H       9 SER  H       4.59             (#peak   104 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 104, nxpk= 0, iat=  78, 112, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   4 GLU  H       5 GLN  H       3.27             (#peak   116 #SUP  1.00  #QF  0.81)
 &rst
  ixpk= 116, nxpk= 0, iat=  46,  61, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   7 CYSS H       8 THR  H       3.48             (#peak   116 #SUP  1.00  #QF  0.81)
 &rst
  ixpk= 116, nxpk= 0, iat=  88,  98, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 115 LEU  H     118 VAL  H       5.30             (#peak   118 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 118, nxpk= 0, iat= 543, 602, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   2 ILE  H       4 GLU  H       4.44             (#peak   119 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 119, nxpk= 0, iat=  11,  46, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   8 THR  HA      8 THR  QG2     3.25             (#peak   126 #SUP  1.00)
 &rst
  ixpk= 126, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS HB3     8 THR  QG2     4.72             (#peak   130 #SUP  1.00)
 &rst
  ixpk= 130, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS HB2     8 THR  QG2     4.72             (#peak   136 #SUP  1.00)
 &rst
  ixpk= 136, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS HB2   107 CYSS HA      3.85             (#peak   142 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 142, nxpk= 0, iat=  92, 440, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   7 CYSS HB3   107 CYSS HA      3.85             (#peak   158 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 158, nxpk= 0, iat=  93, 440, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   5 GLN  HA      6 CYSS H       3.55             (#peak   161 #SUP  1.00)
 &rst
  ixpk= 161, nxpk= 0, iat=  63,  78, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   6 CYSS H       6 CYSS HB2     3.79             (#peak   163 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 163, nxpk= 0, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   6 CYSS H       6 CYSS HB3     3.79             (#peak   164 #SUP  1.00)
 &rst
  ixpk= 164, nxpk= 0, iat=  78,  83, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   5 GLN  HB2     6 CYSS H       3.32             (#peak   166 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 166, nxpk= 0, iat=  65,  78, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   5 GLN  HB3     6 CYSS H       3.32             (#peak   167 #SUP  0.40  #QF  0.40)
 &rst
  ixpk= 167, nxpk= 0, iat=  66,  78, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 115 LEU  QD1   116 TYR  H       5.30             (#peak   179 #SUP  0.94  #QF  0.79)
 &rst
  ixpk= 179, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 552, 553, 554,
 &end
#
#   4 GLU  HA      7 CYSS H       4.46             (#peak   189 #SUP  1.00)
 &rst
  ixpk= 189, nxpk= 0, iat=  48,  88, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   5 GLN  H       5 GLN  HG2     4.67             (#peak   191 #SUP  1.00)
 &rst
  ixpk= 191, nxpk= 0, iat=  61,  68, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   5 GLN  H       5 GLN  HG3     4.67             (#peak   199 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 199, nxpk= 0, iat=  61,  69, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   5 GLN  HA      5 GLN  HG2     3.74             (#peak   202 #SUP  1.00)
 &rst
  ixpk= 202, nxpk= 0, iat=  63,  68, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   5 GLN  HA      5 GLN  HG3     3.74             (#peak   204 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 204, nxpk= 0, iat=  63,  69, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   5 GLN  HA      5 GLN  HE21    5.08             (#peak   216 #SUP  0.91  #QF  0.88)
 &rst
  ixpk= 216, nxpk= 0, iat=  63,  73, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   5 GLN  HB3     5 GLN  HE21    4.65             (#peak   222 #SUP  0.55  #QF  0.55)
 &rst
  ixpk= 222, nxpk= 0, iat=  66,  73, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   5 GLN  HA      5 GLN  HE22    5.50             (#peak   224 #SUP  0.70  #QF  0.61)
 &rst
  ixpk= 224, nxpk= 0, iat=  63,  74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 VAL  H     102 VAL  QG1     3.86             (#peak   233 #SUP  0.93  #QF  0.29)
 &rst
  ixpk= 233, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 353, 354, 355,
 &end
#
# 102 VAL  H     102 VAL  QG2     3.86             (#peak   233 #SUP  0.93  #QF  0.29)
 &rst
  ixpk= 233, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 357, 358, 359,
 &end
#
#   1 GLY  QA      3 VAL  H       4.10             (#peak   246 #SUP  0.97  #QF  0.38)
 &rst
  ixpk= 246, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=   6,   7,
 &end
#
#   3 VAL  H       3 VAL  QG1     3.82             (#peak   248 #SUP  1.00)
 &rst
  ixpk= 248, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=  36,  37,  38,
 &end
#
#   3 VAL  H       3 VAL  QG2     3.82             (#peak   249 #SUP  1.00)
 &rst
  ixpk= 249, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=  40,  41,  42,
 &end
#
#   3 VAL  H       3 VAL  HB      3.08             (#peak   254 #SUP  1.00)
 &rst
  ixpk= 254, nxpk= 0, iat=  30,  34, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   2 ILE  QD1     3 VAL  H       5.49             (#peak   258 #SUP  0.93  #QF  0.89)
 &rst
  ixpk= 258, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=  24,  25,  26,
 &end
#
#   2 ILE  QD1    16 LEU  H       5.50             (#peak   258 #SUP  0.93  #QF  0.89)
 &rst
  ixpk= 258, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#   3 VAL  H      19 TYR  QE      5.50             (#peak   260 #SUP  0.72  #QF  0.46)
 &rst
  ixpk= 260, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 278, 283,
 &end
#
#  19 TYR  QE    125 PHE  H       5.50             (#peak   260 #SUP  0.72  #QF  0.46)
 &rst
  ixpk= 260, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 278, 283,
 &end
#
#   2 ILE  H       3 VAL  H       3.73             (#peak   261 #SUP  1.00)
 &rst
  ixpk= 261, nxpk= 0, iat=  11,  30, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   3 VAL  HA      3 VAL  QG1     3.69             (#peak   270 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 270, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  36,  37,  38,
 &end
#
#   3 VAL  HA      3 VAL  QG2     3.69             (#peak   271 #SUP  1.00)
 &rst
  ixpk= 271, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  40,  41,  42,
 &end
#
#   3 VAL  HA    111 LEU  QD1     4.99             (#peak   274 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 274, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 492, 493, 494,
 &end
#
#   2 ILE  QG2     3 VAL  HA      4.75             (#peak   276 #SUP  1.00)
 &rst
  ixpk= 276, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=  17,  18,  19,
 &end
#
#   3 VAL  HA    111 LEU  QD2     4.99             (#peak   276 #SUP  1.00)
 &rst
  ixpk= 276, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 496, 497, 498,
 &end
#
#   2 ILE  HA      5 GLN  HB3     3.74             (#peak   284 #SUP  0.97  #QF  0.23)
 &rst
  ixpk= 284, nxpk= 0, iat=  13,  66, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   2 ILE  QG2     2 ILE  HG13    3.24             (#peak   287 #SUP  0.98  #QF  0.63) #1.0
 &rst
  ixpk= 287, nxpk= 0, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=  17,  18,  19,
 &end
#
#  15 GLN  H      15 GLN  HG2     3.34             (#peak   292 #SUP  0.40  #QF  0.40)
 &rst
  ixpk= 292, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  15 GLN  H      15 GLN  HG3     3.34             (#peak   293 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 293, nxpk= 0, iat= 203, 211, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  15 GLN  H      16 LEU  H       3.46             (#peak   299 #SUP  1.00)
 &rst
  ixpk= 299, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  12 SER  H      15 GLN  H       4.39             (#peak   302 #SUP  1.00)
 &rst
  ixpk= 302, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  15 GLN  HA     15 GLN  HG3     3.81             (#peak   307 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 307, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  15 GLN  HA     15 GLN  HG2     3.81             (#peak   309 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 309, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  15 GLN  HA     18 ASN  HD22    5.50             (#peak   313 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 313, nxpk= 0, iat= 205, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 TYR  HA     14 TYR  QD      3.58             (#peak   320 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 320, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 190, 199,
 &end
#
#  14 TYR  QD     15 GLN  HA      5.50             (#peak   325 #SUP  0.90  #QF  0.22)
 &rst
  ixpk= 325, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 190, 199,
 &end
#
#  15 GLN  HA     15 GLN  HE21    5.50             (#peak   325 #SUP  0.90  #QF  0.22)
 &rst
  ixpk= 325, nxpk= 0, iat= 205, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 TYR  H      14 TYR  QD      3.92             (#peak   331 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 331, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 190, 199,
 &end
#
#  15 GLN  HA     15 GLN  HE22    5.50             (#peak   334 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 334, nxpk= 0, iat= 205, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 CYSS HA    106 LEU  H       3.59             (#peak   343 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 343, nxpk= 0, iat=  90, 419, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 106 LEU  H     106 LEU  HB3     3.96             (#peak   347 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 347, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 106 LEU  H     106 LEU  HB2     3.77             (#peak   352 #SUP  1.00)
 &rst
  ixpk= 352, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 106 LEU  H     106 LEU  HG      4.61             (#peak   353 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 353, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 106 LEU  H     106 LEU  QD1     4.68             (#peak   355 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 355, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 428, 429, 430,
 &end
#
# 106 LEU  H     106 LEU  QD2     4.68             (#peak   356 #SUP  0.97  #QF  0.93)
 &rst
  ixpk= 356, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 432, 433, 434,
 &end
#
# 108 GLY  H     111 LEU  QD2     5.09             (#peak   356 #SUP  0.97  #QF  0.93)
 &rst
  ixpk= 356, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 496, 497, 498,
 &end
#
# 105 HIS  H     106 LEU  H       4.58             (#peak   359 #SUP  1.00)
 &rst
  ixpk= 359, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  10 ILE  QG2   104 GLN  HA      4.07             (#peak   365 #SUP  0.86  #QF  0.68)
 &rst
  ixpk= 365, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QG2   105 HIS  HA      4.24             (#peak   365 #SUP  0.86  #QF  0.68)
 &rst
  ixpk= 365, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 129, 130, 131,
 &end
#
# 106 LEU  HB2   106 LEU  QD1     3.37             (#peak   371 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 371, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 428, 429, 430,
 &end
#
# 106 LEU  HB2   106 LEU  QD2     3.37             (#peak   373 #SUP  0.98  #QF  0.96)
 &rst
  ixpk= 373, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 432, 433, 434,
 &end
#
# 106 LEU  HB2   111 LEU  HA      3.78             (#peak   377 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 377, nxpk= 0, iat= 423, 485, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  16 LEU  HB2    16 LEU  QD1     3.21             (#peak   383 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 383, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 229, 230, 231,
 &end
#
#  16 LEU  HB2    16 LEU  QD2     3.21             (#peak   386 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 386, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 233, 234, 235,
 &end
#
#  13 LEU  HA     16 LEU  HB2     3.63             (#peak   387 #SUP  0.45  #QF  0.45)
 &rst
  ixpk= 387, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  10 ILE  HB    104 GLN  HA      4.19             (#peak   391 #SUP  1.00  #QF  0.75)
 &rst
  ixpk= 391, nxpk= 0, iat= 127, 387, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 112 VAL  HA    112 VAL  QG2     3.28             (#peak   397 #SUP  1.00)
 &rst
  ixpk= 397, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 512, 513, 514,
 &end
#
# 106 LEU  HA    106 LEU  QD1     4.22             (#peak   407 #SUP  1.00  #QF  0.29)
 &rst
  ixpk= 407, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 428, 429, 430,
 &end
#
# 104 GLN  HA    105 HIS  H       3.08             (#peak   408 #SUP  1.00)
 &rst
  ixpk= 408, nxpk= 0, iat= 387, 402, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 105 HIS  H     105 HIS  HB2     3.97             (#peak   409 #SUP  1.00)
 &rst
  ixpk= 409, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 105 HIS  H     105 HIS  HB3     3.97             (#peak   410 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 410, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 104 GLN  HB2   105 HIS  H       4.34             (#peak   412 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 412, nxpk= 0, iat= 389, 402, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 104 GLN  HG2   105 HIS  H       5.50             (#peak   419 #SUP  0.99  #QF  0.91)
 &rst
  ixpk= 419, nxpk= 0, iat= 392, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 GLN  HG3   105 HIS  H       5.50             (#peak   419 #SUP  0.99  #QF  0.91)
 &rst
  ixpk= 419, nxpk= 0, iat= 393, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 GLN  HB3   105 HIS  H       4.34             (#peak   421 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 421, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 105 HIS  H     106 LEU  QD1     5.50             (#peak   422 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 422, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 428, 429, 430,
 &end
#
#  10 ILE  QG2   105 HIS  H       5.01             (#peak   423 #SUP  1.00)
 &rst
  ixpk= 423, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 129, 130, 131,
 &end
#
# 105 HIS  H     105 HIS  HD2     3.83             (#peak   426 #SUP  0.27  #QF  0.27)
 &rst
  ixpk= 426, nxpk= 0, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 104 GLN  H     105 HIS  H       4.46             (#peak   428 #SUP  1.00)
 &rst
  ixpk= 428, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  13 LEU  H      16 LEU  HB2     5.50             (#peak   440 #SUP  0.37  #QF  0.37)
 &rst
  ixpk= 440, nxpk= 0, iat= 163, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 ILE  QG2   105 HIS  HE1     5.01             (#peak   446 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 446, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 129, 130, 131,
 &end
#
# 104 GLN  HA    105 HIS  HD2     5.50             (#peak   453 #SUP  0.95  #QF  0.32)
 &rst
  ixpk= 453, nxpk= 0, iat= 387, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 HIS  HA    105 HIS  HD2     5.50             (#peak   453 #SUP  0.95  #QF  0.32)
 &rst
  ixpk= 453, nxpk= 0, iat= 404, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 SER  H      10 ILE  QG2     5.50             (#peak   461 #SUP  0.92  #QF  0.73)
 &rst
  ixpk= 461, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 129, 130, 131,
 &end
#
#  10 ILE  QG2   105 HIS  HD2     5.50             (#peak   461 #SUP  0.92  #QF  0.73)
 &rst
  ixpk= 461, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 129, 130, 131,
 &end
#
# 103 LYS  HA    104 GLN  H       2.85             (#peak   466 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 466, nxpk= 0, iat= 365, 385, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 104 GLN  H     104 GLN  HG2     5.39             (#peak   468 #SUP  0.94  #QF  0.49)
 &rst
  ixpk= 468, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 104 GLN  H     104 GLN  HG3     5.39             (#peak   468 #SUP  0.94  #QF  0.49)
 &rst
  ixpk= 468, nxpk= 0, iat= 385, 393, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  10 ILE  QD1   104 GLN  H       5.50             (#peak   472 #SUP  0.93  #QF  0.75)
 &rst
  ixpk= 472, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  QG2   104 GLN  H       4.52             (#peak   480 #SUP  1.00)
 &rst
  ixpk= 480, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 129, 130, 131,
 &end
#
# 104 GLN  HE21  106 LEU  QD2     5.50             (#peak   489 #SUP  0.50  #QF  0.50)
 &rst
  ixpk= 489, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 432, 433, 434,
 &end
#
# 104 GLN  HE21  106 LEU  QD1     5.50             (#peak   492 #SUP  0.44  #QF  0.23)
 &rst
  ixpk= 492, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 428, 429, 430,
 &end
#
# 104 GLN  HE22  106 LEU  QD1     5.50             (#peak   503 #SUP  0.77  #QF  0.61)
 &rst
  ixpk= 503, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 428, 429, 430,
 &end
#
# 104 GLN  HE22  106 LEU  QD2     5.50             (#peak   504 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 504, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 432, 433, 434,
 &end
#
# 102 VAL  HA    103 LYS  H       2.99             (#peak   506 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 506, nxpk= 0, iat= 349, 363, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 102 VAL  HB    103 LYS  H       4.29             (#peak   507 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 507, nxpk= 0, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 103 LYS  H     103 LYS  HG2     4.07             (#peak   509 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 509, nxpk= 0, iat= 363, 370, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 103 LYS  H     103 LYS  HG3     4.07             (#peak   517 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 517, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 102 VAL  QG1   103 LYS  H       4.40             (#peak   518 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 518, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 353, 354, 355,
 &end
#
# 102 VAL  QG2   103 LYS  H       4.40             (#peak   518 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 518, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 357, 358, 359,
 &end
#
# 101 PHE  QD    103 LYS  H       5.50             (#peak   520 #SUP  0.40  #QF  0.40)
 &rst
  ixpk= 520, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#  10 ILE  QG2   103 LYS  HA      5.46             (#peak   524 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 524, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QD1   103 LYS  HA      5.50             (#peak   525 #SUP  0.93  #QF  0.74)
 &rst
  ixpk= 525, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 &end
#
# 101 PHE  HA    102 VAL  H       3.08             (#peak   534 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 534, nxpk= 0, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 102 VAL  H     102 VAL  HB      3.80             (#peak   537 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 537, nxpk= 0, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 101 PHE  HA    102 VAL  QG1     5.35             (#peak   547 #SUP  0.96  #QF  0.62)
 &rst
  ixpk= 547, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 353, 354, 355,
 &end
#
# 101 PHE  HA    102 VAL  QG2     5.35             (#peak   547 #SUP  0.96  #QF  0.62)
 &rst
  ixpk= 547, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 357, 358, 359,
 &end
#
# 122 ARG  HB2   122 ARG  QD      3.82             (#peak   553 #SUP  1.00)
 &rst
  ixpk= 553, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 660, 661,
 &end
#
# 101 PHE  HA    101 PHE  QD      4.02             (#peak   558 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 558, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 335, 343,
 &end
#
#  13 LEU  QD2   101 PHE  HZ      5.30             (#peak   569 #SUP  0.26  #QF  0.26)
 &rst
  ixpk= 569, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 176, 177, 178,
 &end
#
#  13 LEU  QD1   101 PHE  HZ      5.30             (#peak   570 #SUP  0.20  #QF  0.20)
 &rst
  ixpk= 570, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 172, 173, 174,
 &end
#
# 106 LEU  HA    107 CYSS H       2.99             (#peak   575 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 575, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 107 CYSS H     110 HIS  HB2     3.86             (#peak   576 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 576, nxpk= 0, iat= 438, 470, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 107 CYSS H     107 CYSS HB2     3.70             (#peak   577 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 577, nxpk= 0, iat= 438, 442, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 106 LEU  HB3   107 CYSS H       3.80             (#peak   579 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 579, nxpk= 0, iat= 424, 438, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 107 CYSS H     107 CYSS HB3     3.70             (#peak   584 #SUP  1.00)
 &rst
  ixpk= 584, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 107 CYSS H     111 LEU  H       4.96             (#peak   587 #SUP  1.00)
 &rst
  ixpk= 587, nxpk= 0, iat= 438, 483, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   5 GLN  H       5 GLN  HE21    5.50             (#peak   589 #SUP  0.77  #QF  0.37)
 &rst
  ixpk= 589, nxpk= 0, iat=  61,  73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 107 CYSS H     110 HIS  HD2     4.65             (#peak   590 #SUP  0.26  #QF  0.26)
 &rst
  ixpk= 590, nxpk= 0, iat= 438, 479, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 106 LEU  H     107 CYSS H       4.57             (#peak   591 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 591, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 107 CYSS H     108 GLY  H       4.96             (#peak   591 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 591, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 107 CYSS HA    108 GLY  HA2     4.65             (#peak   594 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 594, nxpk= 0, iat= 440, 450, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 107 CYSS HA    108 GLY  HA3     4.65             (#peak   595 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 595, nxpk= 0, iat= 440, 451, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 107 CYSS HA    111 LEU  HB2     5.48             (#peak   600 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 600, nxpk= 0, iat= 440, 487, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 107 CYSS HA    111 LEU  HB3     5.48             (#peak   604 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 604, nxpk= 0, iat= 440, 488, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 107 CYSS HA    111 LEU  HG      5.50             (#peak   607 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 607, nxpk= 0, iat= 440, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 119 CYSS HB3   120 GLY  QA      5.22             (#peak   618 #SUP  0.93  #QF  0.86)
 &rst
  ixpk= 618, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 630, 631,
 &end
#
# 107 CYSS HA    108 GLY  H       3.22             (#peak   626 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 626, nxpk= 0, iat= 440, 448, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 108 GLY  H     111 LEU  QD1     5.09             (#peak   644 #SUP  0.39  #QF  0.39)
 &rst
  ixpk= 644, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 492, 493, 494,
 &end
#
# 108 GLY  H     111 LEU  H       5.10             (#peak   646 #SUP  1.00  #QF  0.95)
 &rst
  ixpk= 646, nxpk= 0, iat= 448, 483, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 109 SER  H     111 LEU  H       5.50             (#peak   646 #SUP  1.00  #QF  0.95)
 &rst
  ixpk= 646, nxpk= 0, iat= 455, 483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 109 SER  H     112 VAL  H       5.41             (#peak   647 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 647, nxpk= 0, iat= 455, 502, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 109 SER  H     110 HIS  HD2     4.86             (#peak   648 #SUP  0.39  #QF  0.39)
 &rst
  ixpk= 648, nxpk= 0, iat= 455, 479, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 109 SER  H     109 SER  QB      3.26             (#peak   650 #SUP  1.00)
 &rst
  ixpk= 650, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 459, 460,
 &end
#
# 109 SER  H     110 HIS  H       3.68             (#peak   652 #SUP  1.00)
 &rst
  ixpk= 652, nxpk= 0, iat= 455, 466, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 109 SER  HA    109 SER  QB      2.78             (#peak   653 #SUP  1.00)
 &rst
  ixpk= 653, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 459, 460,
 &end
#
# 112 VAL  HA    113 GLU  HA      4.89             (#peak   656 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 656, nxpk= 0, iat= 504, 520, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  13 LEU  HA     16 LEU  HB3     4.63             (#peak   661 #SUP  0.58  #QF  0.44)
 &rst
  ixpk= 661, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 117 LEU  HG    118 VAL  HA      5.00             (#peak   661 #SUP  0.58  #QF  0.44)
 &rst
  ixpk= 661, nxpk= 0, iat= 590, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     13 LEU  QD2     4.21             (#peak   664 #SUP  0.59  #QF  0.37)
 &rst
  ixpk= 664, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 176, 177, 178,
 &end
#
#  13 LEU  HA     13 LEU  QD1     4.21             (#peak   665 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 665, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 172, 173, 174,
 &end
#
#  12 SER  HA     13 LEU  HA      4.41             (#peak   667 #SUP  0.44  #QF  0.44)
 &rst
  ixpk= 667, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 110 HIS  H     110 HIS  HB2     3.29             (#peak   669 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 669, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 110 HIS  H     110 HIS  HB3     3.65             (#peak   672 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 672, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 110 HIS  H     111 LEU  H       3.27             (#peak   673 #SUP  1.00)
 &rst
  ixpk= 673, nxpk= 0, iat= 466, 483, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 110 HIS  H     110 HIS  HD2     3.72             (#peak   675 #SUP  0.44  #QF  0.44)
 &rst
  ixpk= 675, nxpk= 0, iat= 466, 479, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 106 LEU  HA    110 HIS  HB2     3.85             (#peak   677 #SUP  1.00  #QF  0.53)
 &rst
  ixpk= 677, nxpk= 0, iat= 421, 470, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 106 LEU  HA    110 HIS  HB3     3.68             (#peak   678 #SUP  0.95  #QF  0.64)
 &rst
  ixpk= 678, nxpk= 0, iat= 421, 471, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 106 LEU  QD2   110 HIS  HB2     5.50             (#peak   683 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 683, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 432, 433, 434,
 &end
#
# 110 HIS  HA    110 HIS  HD2     4.70             (#peak   685 #SUP  0.92  #QF  0.33)
 &rst
  ixpk= 685, nxpk= 0, iat= 468, 479, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 109 SER  QB    110 HIS  HD2     3.86             (#peak   689 #SUP  0.27  #QF  0.27)
 &rst
  ixpk= 689, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 459, 460,
 &end
#
# 110 HIS  HB2   110 HIS  HD2     3.93             (#peak   690 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 690, nxpk= 0, iat= 470, 479, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   5 GLN  HB2     5 GLN  HE21    4.65             (#peak   693 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 693, nxpk= 0, iat=  65,  73, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 110 HIS  HA    110 HIS  HE1     5.50             (#peak   700 #SUP  0.44  #QF  0.44)
 &rst
  ixpk= 700, nxpk= 0, iat= 468, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 115 LEU  QD1   119 CYSS H       5.50             (#peak   702 #SUP  0.25  #QF  0.25) #2.0
 &rst
  ixpk= 702, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
 igr1= 552, 553, 554,
 &end
#
#  12 SER  H      16 LEU  H       5.26             (#peak   704 #SUP  0.95  #QF  0.69)
 &rst
  ixpk= 704, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 117 LEU  H     119 CYSS H       5.42             (#peak   704 #SUP  0.95  #QF  0.69)
 &rst
  ixpk= 704, nxpk= 0, iat= 583, 618, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 110 HIS  HA    114 ALA  H       4.71             (#peak   706 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 706, nxpk= 0, iat= 468, 533, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 111 LEU  HA    114 ALA  H       4.17             (#peak   708 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 708, nxpk= 0, iat= 485, 533, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 114 ALA  H     116 TYR  QB      5.21             (#peak   710 #SUP  1.00)
 &rst
  ixpk= 710, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 566, 567,
 &end
#
# 113 GLU  HB3   114 ALA  H       4.09             (#peak   713 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 713, nxpk= 0, iat= 523, 533, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 106 LEU  QD1   114 ALA  H       5.45             (#peak   716 #SUP  0.90  #QF  0.90) #1.0
 &rst
  ixpk= 716, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 428, 429, 430,
 &end
#
# 106 LEU  QD2   114 ALA  H       5.45             (#peak   717 #SUP  0.93  #QF  0.87)
 &rst
  ixpk= 717, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 432, 433, 434,
 &end
#
# 112 VAL  HA    114 ALA  H       5.09             (#peak   720 #SUP  1.00)
 &rst
  ixpk= 720, nxpk= 0, iat= 504, 533, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 113 GLU  HB2   114 ALA  H       4.09             (#peak   723 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 723, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 114 ALA  H     114 ALA  QB      3.19             (#peak   726 #SUP  1.00)
 &rst
  ixpk= 726, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 537, 538, 539,
 &end
#
# 106 LEU  HB3   114 ALA  H       5.34             (#peak   728 #SUP  0.99  #QF  0.76)
 &rst
  ixpk= 728, nxpk= 0, iat= 424, 533, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 111 LEU  H     114 ALA  H       5.17             (#peak   731 #SUP  1.00)
 &rst
  ixpk= 731, nxpk= 0, iat= 483, 533, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 112 VAL  H     114 ALA  H       4.77             (#peak   734 #SUP  1.00)
 &rst
  ixpk= 734, nxpk= 0, iat= 502, 533, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 113 GLU  H     114 ALA  H       3.56             (#peak   735 #SUP  1.00)
 &rst
  ixpk= 735, nxpk= 0, iat= 518, 533, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 114 ALA  H     115 LEU  H       3.55             (#peak   738 #SUP  1.00)
 &rst
  ixpk= 738, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 114 ALA  H     116 TYR  H       4.64             (#peak   739 #SUP  1.00)
 &rst
  ixpk= 739, nxpk= 0, iat= 533, 562, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  17 GLU  HA     17 GLU  HG2     4.11             (#peak   741 #SUP  1.00  #QF  0.37)
 &rst
  ixpk= 741, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 106 LEU  QD1   114 ALA  QB      3.52             (#peak   746 #SUP  0.94  #QF  0.90) #1.0
 &rst
  ixpk= 746, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 428, 429, 430,
 igr2= 537, 538, 539,
 &end
#
# 106 LEU  QD2   114 ALA  QB      3.52             (#peak   747 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 747, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 432, 433, 434,
 igr2= 537, 538, 539,
 &end
#
# 111 LEU  HA    114 ALA  QB      3.33             (#peak   753 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 753, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 537, 538, 539,
 &end
#
# 114 ALA  QB    115 LEU  HA      4.55             (#peak   756 #SUP  0.99  #QF  0.21)
 &rst
  ixpk= 756, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 537, 538, 539,
 &end
#
# 112 VAL  H     112 VAL  HB      3.27             (#peak   759 #SUP  1.00)
 &rst
  ixpk= 759, nxpk= 0, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 112 VAL  H     114 ALA  QB      5.50             (#peak   760 #SUP  0.99  #QF  0.25)
 &rst
  ixpk= 760, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 537, 538, 539,
 &end
#
#   2 ILE  HB     19 TYR  QD      5.34             (#peak   761 #SUP  0.91  #QF  0.64)
 &rst
  ixpk= 761, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 276, 285,
 &end
#
# 111 LEU  HG    112 VAL  H       5.50             (#peak   761 #SUP  0.91  #QF  0.64)
 &rst
  ixpk= 761, nxpk= 0, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 112 VAL  H     112 VAL  QG1     3.77             (#peak   770 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 770, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 508, 509, 510,
 &end
#
# 112 VAL  H     112 VAL  QG2     3.77             (#peak   771 #SUP  1.00)
 &rst
  ixpk= 771, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 512, 513, 514,
 &end
#
# 101 PHE  QD    102 VAL  QG1     5.50             (#peak   772 #SUP  0.99  #QF  0.33)
 &rst
  ixpk= 772, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 335, 343,
 igr2= 353, 354, 355,
 &end
#
# 101 PHE  QD    102 VAL  QG2     5.50             (#peak   772 #SUP  0.99  #QF  0.33)
 &rst
  ixpk= 772, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 335, 343,
 igr2= 357, 358, 359,
 &end
#
#  13 LEU  QD1   101 PHE  QD      4.28             (#peak   773 #SUP  0.98  #QF  0.40)
 &rst
  ixpk= 773, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 172, 173, 174,
 igr2= 335, 343,
 &end
#
# 111 LEU  H     112 VAL  H       3.53             (#peak   775 #SUP  1.00)
 &rst
  ixpk= 775, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 112 VAL  H     113 GLU  H       3.58             (#peak   777 #SUP  1.00)
 &rst
  ixpk= 777, nxpk= 0, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 101 PHE  QD    102 VAL  H       4.32             (#peak   779 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 779, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 335, 343,
 &end
#
# 112 VAL  HA    115 LEU  HB2     4.77             (#peak   780 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 780, nxpk= 0, iat= 504, 547, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 111 LEU  HG    112 VAL  HA      5.50             (#peak   783 #SUP  0.78  #QF  0.78) #1.0
 &rst
  ixpk= 783, nxpk= 0, iat= 490, 504, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 112 VAL  HA    115 LEU  HB3     4.77             (#peak   784 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 784, nxpk= 0, iat= 504, 548, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 112 VAL  HA    112 VAL  QG1     3.28             (#peak   787 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 787, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 508, 509, 510,
 &end
#
# 112 VAL  HA    115 LEU  QD2     4.06             (#peak   789 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 789, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 556, 557, 558,
 &end
#
# 110 HIS  HB2   111 LEU  H       4.09             (#peak   794 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 794, nxpk= 0, iat= 470, 483, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 110 HIS  HB3   111 LEU  H       3.98             (#peak   795 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 795, nxpk= 0, iat= 471, 483, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 111 LEU  H     111 LEU  QD1     5.13             (#peak   800 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 800, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 492, 493, 494,
 &end
#
# 111 LEU  H     111 LEU  HB2     3.65             (#peak   806 #SUP  1.00)
 &rst
  ixpk= 806, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 111 LEU  H     111 LEU  HB3     3.65             (#peak   807 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 807, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 111 LEU  H     111 LEU  HG      4.61             (#peak   808 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 808, nxpk= 0, iat= 483, 490, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 106 LEU  HB3   111 LEU  H       4.20             (#peak   810 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 810, nxpk= 0, iat= 424, 483, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 111 LEU  H     111 LEU  QD2     5.13             (#peak   812 #SUP  0.98  #QF  0.42)
 &rst
  ixpk= 812, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 496, 497, 498,
 &end
#
# 106 LEU  HG    111 LEU  HA      3.20             (#peak   816 #SUP  0.49  #QF  0.49) #1.0
 &rst
  ixpk= 816, nxpk= 0, iat= 426, 485, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  16 LEU  HB3    16 LEU  QD2     3.35             (#peak   822 #SUP  1.00  #QF  0.37)
 &rst
  ixpk= 822, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 233, 234, 235,
 &end
#
#  16 LEU  HB3    16 LEU  QD1     3.35             (#peak   823 #SUP  0.94  #QF  0.79)
 &rst
  ixpk= 823, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 229, 230, 231,
 &end
#
# 111 LEU  HB2   111 LEU  QD1     3.36             (#peak   823 #SUP  0.94  #QF  0.79)
 &rst
  ixpk= 823, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 492, 493, 494,
 &end
#
# 111 LEU  HB2   111 LEU  QD2     3.36             (#peak   824 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 824, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 496, 497, 498,
 &end
#
# 111 LEU  HA    111 LEU  HG      3.84             (#peak   828 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 828, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 111 LEU  HB3   111 LEU  QD1     3.36             (#peak   829 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 829, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 492, 493, 494,
 &end
#
#   2 ILE  QG2     2 ILE  HG12    3.24             (#peak   834 #SUP  0.96  #QF  0.50)
 &rst
  ixpk= 834, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=  17,  18,  19,
 &end
#
# 111 LEU  HB3   111 LEU  QD2     3.36             (#peak   834 #SUP  0.96  #QF  0.50)
 &rst
  ixpk= 834, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 496, 497, 498,
 &end
#
# 111 LEU  HA    111 LEU  QD2     4.01             (#peak   837 #SUP  0.36  #QF  0.36)
 &rst
  ixpk= 837, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 496, 497, 498,
 &end
#
# 111 LEU  HA    111 LEU  QD1     4.01             (#peak   838 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 838, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 492, 493, 494,
 &end
#
# 113 GLU  H     113 GLU  HB2     3.34             (#peak   843 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 843, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 112 VAL  HB    113 GLU  H       3.13             (#peak   844 #SUP  0.98  #QF  0.93)
 &rst
  ixpk= 844, nxpk= 0, iat= 506, 518, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 113 GLU  H     113 GLU  HB3     3.34             (#peak   844 #SUP  0.98  #QF  0.93)
 &rst
  ixpk= 844, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 113 GLU  H     114 ALA  QB      4.33             (#peak   845 #SUP  1.00)
 &rst
  ixpk= 845, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 537, 538, 539,
 &end
#
#   2 ILE  HB      3 VAL  H       4.79             (#peak   846 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 846, nxpk= 0, iat=  15,  30, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 112 VAL  HA    115 LEU  H       4.11             (#peak   867 #SUP  1.00)
 &rst
  ixpk= 867, nxpk= 0, iat= 504, 543, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 115 LEU  H     116 TYR  QB      4.51             (#peak   868 #SUP  1.00)
 &rst
  ixpk= 868, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 566, 567,
 &end
#
#  10 ILE  HB    104 GLN  H       3.53             (#peak   869 #SUP  0.91  #QF  0.85)
 &rst
  ixpk= 869, nxpk= 0, iat= 127, 385, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 115 LEU  H     115 LEU  HB2     3.76             (#peak   869 #SUP  0.91  #QF  0.85)
 &rst
  ixpk= 869, nxpk= 0, iat= 543, 547, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 114 ALA  QB    115 LEU  H       3.40             (#peak   870 #SUP  1.00)
 &rst
  ixpk= 870, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 537, 538, 539,
 &end
#
# 115 LEU  H     115 LEU  HB3     3.76             (#peak   871 #SUP  1.00)
 &rst
  ixpk= 871, nxpk= 0, iat= 543, 548, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 115 LEU  H     115 LEU  QD1     4.27             (#peak   882 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 882, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 552, 553, 554,
 &end
#
# 115 LEU  H     115 LEU  QD2     4.27             (#peak   883 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 883, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 556, 557, 558,
 &end
#
# 115 LEU  H     124 PHE  QE      5.18             (#peak   885 #SUP  0.26  #QF  0.26) #1.0
 &rst
  ixpk= 885, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 691, 695,
 &end
#
# 115 LEU  H     116 TYR  H       2.83             (#peak   887 #SUP  1.00)
 &rst
  ixpk= 887, nxpk= 0, iat= 543, 562, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#   2 ILE  HA      5 GLN  HB2     3.74             (#peak   888 #SUP  0.97  #QF  0.30)
 &rst
  ixpk= 888, nxpk= 0, iat=  13,  65, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 115 LEU  HA    118 VAL  HB      3.78             (#peak   888 #SUP  0.97  #QF  0.30)
 &rst
  ixpk= 888, nxpk= 0, iat= 545, 606, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 115 LEU  HA    118 VAL  QG1     4.19             (#peak   892 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 892, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 608, 609, 610,
 &end
#
# 115 LEU  HA    115 LEU  QD1     4.00             (#peak   894 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 894, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 552, 553, 554,
 &end
#
#   2 ILE  HA      2 ILE  QD1     3.87             (#peak   898 #SUP  0.60  #QF  0.60)
 &rst
  ixpk= 898, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=  24,  25,  26,
 &end
#
# 115 LEU  HA    115 LEU  QD2     4.00             (#peak   899 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 899, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 556, 557, 558,
 &end
#
#  19 TYR  HB3   115 LEU  QD1     5.63             (#peak   909 #SUP  0.56  #QF  0.36)
 &rst
  ixpk= 909, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 552, 553, 554,
 &end
#
#  19 TYR  HB3   115 LEU  QD2     5.63             (#peak   912 #SUP  0.48  #QF  0.29)
 &rst
  ixpk= 912, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 556, 557, 558,
 &end
#
#  19 TYR  HB2   115 LEU  QD2     5.63             (#peak   913 #SUP  0.32  #QF  0.32)
 &rst
  ixpk= 913, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 556, 557, 558,
 &end
#
#  16 LEU  HA    115 LEU  QD1     4.84             (#peak   915 #SUP  0.34  #QF  0.34) #2.0
 &rst
  ixpk= 915, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 552, 553, 554,
 &end
#
#  20 CYSS HA    115 LEU  QD2     5.50             (#peak   917 #SUP  0.38  #QF  0.21)
 &rst
  ixpk= 917, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 556, 557, 558,
 &end
#
# 115 LEU  QD2   124 PHE  HA      5.50             (#peak   917 #SUP  0.38  #QF  0.21)
 &rst
  ixpk= 917, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 556, 557, 558,
 &end
#
#  20 CYSS HA    115 LEU  QD1     5.50             (#peak   918 #SUP  0.52  #QF  0.36) #1.0
 &rst
  ixpk= 918, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 552, 553, 554,
 &end
#
# 115 LEU  QD1   124 PHE  HA      5.50             (#peak   918 #SUP  0.52  #QF  0.36) #1.0
 &rst
  ixpk= 918, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 552, 553, 554,
 &end
#
#   2 ILE  HA      6 CYSS H       4.37             (#peak   921 #SUP  1.00  #QF  0.34)
 &rst
  ixpk= 921, nxpk= 0, iat=  13,  78, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 112 VAL  HA    116 TYR  H       4.67             (#peak   922 #SUP  1.00)
 &rst
  ixpk= 922, nxpk= 0, iat= 504, 562, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 116 TYR  H     116 TYR  QB      3.05             (#peak   923 #SUP  1.00)
 &rst
  ixpk= 923, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 566, 567,
 &end
#
# 115 LEU  HB2   116 TYR  H       4.12             (#peak   925 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 925, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 115 LEU  HB3   116 TYR  H       4.12             (#peak   926 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 926, nxpk= 0, iat= 548, 562, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 115 LEU  QD2   116 TYR  H       5.30             (#peak   937 #SUP  1.00)
 &rst
  ixpk= 937, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 556, 557, 558,
 &end
#
# 116 TYR  H     116 TYR  QD      4.25             (#peak   940 #SUP  1.00)
 &rst
  ixpk= 940, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 570, 579,
 &end
#
# 116 TYR  H     124 PHE  QE      5.00             (#peak   941 #SUP  0.52  #QF  0.52)
 &rst
  ixpk= 941, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 691, 695,
 &end
#
# 116 TYR  H     117 LEU  H       3.56             (#peak   942 #SUP  1.00)
 &rst
  ixpk= 942, nxpk= 0, iat= 562, 583, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 116 TYR  H     118 VAL  H       4.32             (#peak   945 #SUP  1.00)
 &rst
  ixpk= 945, nxpk= 0, iat= 562, 602, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 116 TYR  H     119 CYSS H       5.09             (#peak   946 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 946, nxpk= 0, iat= 562, 618, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 122 ARG  HA    122 ARG  QD      4.25             (#peak   950 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 950, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 660, 661,
 &end
#
# 122 ARG  HA    122 ARG  QG      3.41             (#peak   953 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 953, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 657, 658,
 &end
#
# 116 TYR  QB    117 LEU  HB2     4.31             (#peak   958 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 958, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 566, 567,
 &end
#
# 112 VAL  HB    116 TYR  QB      5.50             (#peak   959 #SUP  0.93  #QF  0.23)
 &rst
  ixpk= 959, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
# 113 GLU  HB3   116 TYR  QB      5.50             (#peak   959 #SUP  0.93  #QF  0.23)
 &rst
  ixpk= 959, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
# 113 GLU  HA    116 TYR  QB      3.29             (#peak   962 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 962, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 566, 567,
 &end
#
# 116 TYR  HA    116 TYR  QD      3.47             (#peak   963 #SUP  1.00)
 &rst
  ixpk= 963, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 570, 579,
 &end
#
# 113 GLU  HA    116 TYR  QD      4.64             (#peak   966 #SUP  0.93  #QF  0.84)
 &rst
  ixpk= 966, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 570, 579,
 &end
#
# 116 TYR  QD    117 LEU  HA      5.06             (#peak   966 #SUP  0.93  #QF  0.84)
 &rst
  ixpk= 966, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 570, 579,
 &end
#
# 116 TYR  QD    120 GLY  QA      5.18             (#peak   967 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 967, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 570, 579,
 igr2= 630, 631,
 &end
#
# 116 TYR  QD    117 LEU  H       4.69             (#peak   981 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 981, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 570, 579,
 &end
#
# 116 TYR  HA    116 TYR  QE      5.21             (#peak   986 #SUP  0.95  #QF  0.90)
 &rst
  ixpk= 986, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 572, 577,
 &end
#
# 116 TYR  QE    121 GLU  HA      5.50             (#peak   986 #SUP  0.95  #QF  0.90)
 &rst
  ixpk= 986, nxpk= 0, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 572, 577,
 &end
#
#  16 LEU  HA     19 TYR  QE      3.85             (#peak   987 #SUP  0.32  #QF  0.32)
 &rst
  ixpk= 987, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 278, 283,
 &end
#
#  19 TYR  QE    115 LEU  HA      3.66             (#peak   988 #SUP  0.28  #QF  0.28) #1.0
 &rst
  ixpk= 988, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 278, 283,
 &end
#
# 116 TYR  QE    120 GLY  QA      5.50             (#peak   991 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 991, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 577,
 igr2= 630, 631,
 &end
#
# 126 TYR  QE    128 PRO  QD      5.50             (#peak   993 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 993, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 736,
 igr2= 757, 758,
 &end
#
#  16 LEU  HB3    19 TYR  QE      4.39             (#peak  1012 #SUP  0.34  #QF  0.34)
 &rst
  ixpk= 1012, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 278, 283,
 &end
#
#   2 ILE  HB     19 TYR  QE      4.32             (#peak  1014 #SUP  0.52  #QF  0.52) #0.5
 &rst
  ixpk= 1014, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 278, 283,
 &end
#
#   2 ILE  QG2    19 TYR  QE      3.79             (#peak  1021 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1021, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=  17,  18,  19,
 igr2= 278, 283,
 &end
#
#  19 TYR  QE    115 LEU  QD1     4.43             (#peak  1022 #SUP  0.39  #QF  0.39) #1.0
 &rst
  ixpk= 1022, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 278, 283,
 igr2= 552, 553, 554,
 &end
#
#   2 ILE  QD1    19 TYR  QE      3.72             (#peak  1023 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 1023, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  24,  25,  26,
 igr2= 278, 283,
 &end
#
#  19 TYR  QE    115 LEU  QD2     4.43             (#peak  1024 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 1024, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 278, 283,
 igr2= 556, 557, 558,
 &end
#
#  19 TYR  H      19 TYR  QE      5.50             (#peak  1032 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 1032, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 278, 283,
 &end
#
#   2 ILE  H      19 TYR  QE      4.29             (#peak  1035 #SUP  0.41  #QF  0.41)
 &rst
  ixpk= 1035, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 278, 283,
 &end
#
# 117 LEU  H     117 LEU  HB3     3.76             (#peak  1039 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1039, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 117 LEU  H     117 LEU  QD1     4.95             (#peak  1041 #SUP  0.97  #QF  0.48)
 &rst
  ixpk= 1041, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 592, 593, 594,
 &end
#
# 117 LEU  H     117 LEU  QD2     4.95             (#peak  1041 #SUP  0.97  #QF  0.48)
 &rst
  ixpk= 1041, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 596, 597, 598,
 &end
#
# 114 ALA  HA    117 LEU  H       3.90             (#peak  1043 #SUP  1.00  #QF  0.26)
 &rst
  ixpk= 1043, nxpk= 0, iat= 535, 583, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 116 TYR  QB    117 LEU  H       3.52             (#peak  1044 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1044, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 566, 567,
 &end
#
# 117 LEU  H     118 VAL  H       3.63             (#peak  1048 #SUP  1.00)
 &rst
  ixpk= 1048, nxpk= 0, iat= 583, 602, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 117 LEU  HB3   117 LEU  QD1     3.36             (#peak  1050 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1050, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 592, 593, 594,
 &end
#
# 114 ALA  HA    117 LEU  HB3     3.78             (#peak  1054 #SUP  0.99  #QF  0.57)
 &rst
  ixpk= 1054, nxpk= 0, iat= 535, 588, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 106 LEU  HB3   114 ALA  QB      4.26             (#peak  1058 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 1058, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 537, 538, 539,
 &end
#
# 114 ALA  HA    118 VAL  H       4.45             (#peak  1062 #SUP  0.99  #QF  0.37)
 &rst
  ixpk= 1062, nxpk= 0, iat= 535, 602, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 116 TYR  QB    118 VAL  H       5.03             (#peak  1065 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1065, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 566, 567,
 &end
#
# 118 VAL  H     118 VAL  HB      3.30             (#peak  1067 #SUP  1.00)
 &rst
  ixpk= 1067, nxpk= 0, iat= 602, 606, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 117 LEU  HB2   118 VAL  H       4.45             (#peak  1068 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 1068, nxpk= 0, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 117 LEU  HG    118 VAL  H       4.91             (#peak  1068 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 1068, nxpk= 0, iat= 590, 602, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 114 ALA  QB    118 VAL  H       4.62             (#peak  1070 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1070, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 537, 538, 539,
 &end
#
# 118 VAL  H     118 VAL  QG2     3.82             (#peak  1073 #SUP  1.00)
 &rst
  ixpk= 1073, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 612, 613, 614,
 &end
#
# 117 LEU  HB3   118 VAL  H       3.95             (#peak  1081 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1081, nxpk= 0, iat= 588, 602, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 118 VAL  H     118 VAL  QG1     3.82             (#peak  1084 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1084, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 608, 609, 610,
 &end
#
#   2 ILE  H      19 TYR  QD      5.50             (#peak  1087 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 1087, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 276, 285,
 &end
#
# 118 VAL  H     119 CYSS H       3.43             (#peak  1088 #SUP  1.00)
 &rst
  ixpk= 1088, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 118 VAL  HA    118 VAL  QG1     3.18             (#peak  1094 #SUP  1.00)
 &rst
  ixpk= 1094, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 608, 609, 610,
 &end
#
# 118 VAL  HA    118 VAL  QG2     3.18             (#peak  1095 #SUP  1.00)
 &rst
  ixpk= 1095, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 612, 613, 614,
 &end
#
# 115 LEU  HA    118 VAL  QG2     4.19             (#peak  1123 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1123, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 612, 613, 614,
 &end
#
# 118 VAL  QG1   119 CYSS HA      5.50             (#peak  1126 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1126, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
# 118 VAL  QG2   119 CYSS HA      5.50             (#peak  1127 #SUP  0.98  #QF  0.98) #1.0
 &rst
  ixpk= 1127, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 612, 613, 614,
 &end
#
# 116 TYR  HA    119 CYSS H       4.61             (#peak  1129 #SUP  1.00)
 &rst
  ixpk= 1129, nxpk= 0, iat= 564, 618, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 117 LEU  HA    119 CYSS H       4.88             (#peak  1130 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1130, nxpk= 0, iat= 585, 618, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 115 LEU  HA    119 CYSS H       4.37             (#peak  1131 #SUP  0.65  #QF  0.38)
 &rst
  ixpk= 1131, nxpk= 0, iat= 545, 618, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 118 VAL  HB    119 CYSS H       3.52             (#peak  1136 #SUP  1.00)
 &rst
  ixpk= 1136, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 118 VAL  QG2   119 CYSS H       4.19             (#peak  1138 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1138, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 612, 613, 614,
 &end
#
# 119 CYSS H     120 GLY  QA      4.32             (#peak  1142 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1142, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 630, 631,
 &end
#
# 119 CYSS H     119 CYSS HB2     3.78             (#peak  1144 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1144, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 119 CYSS H     119 CYSS HB3     3.78             (#peak  1145 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1145, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 118 VAL  QG1   119 CYSS H       4.19             (#peak  1147 #SUP  1.00)
 &rst
  ixpk= 1147, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 608, 609, 610,
 &end
#
# 119 CYSS H     121 GLU  H       4.84             (#peak  1149 #SUP  0.31  #QF  0.31)
 &rst
  ixpk= 1149, nxpk= 0, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   8 THR  QG2     9 SER  HA      5.50             (#peak  1153 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1153, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 104, 105, 106,
 &end
#
#   9 SER  HA     10 ILE  HG13    5.50             (#peak  1154 #SUP  0.77  #QF  0.22)
 &rst
  ixpk= 1154, nxpk= 0, iat= 114, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 SER  HA     10 ILE  QD1     5.50             (#peak  1154 #SUP  0.77  #QF  0.22)
 &rst
  ixpk= 1154, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 &end
#
# 122 ARG  HB3   122 ARG  QD      3.82             (#peak  1155 #SUP  0.98  #QF  0.52)
 &rst
  ixpk= 1155, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 660, 661,
 &end
#
#  19 TYR  H      20 CYSS HA      4.84             (#peak  1159 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1159, nxpk= 0, iat= 268, 291, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  16 LEU  HA     19 TYR  H       4.15             (#peak  1161 #SUP  0.91  #QF  0.46)
 &rst
  ixpk= 1161, nxpk= 0, iat= 222, 268, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  17 GLU  HA     19 TYR  H       4.37             (#peak  1161 #SUP  0.91  #QF  0.46)
 &rst
  ixpk= 1161, nxpk= 0, iat= 241, 268, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  19 TYR  H      19 TYR  HB2     3.69             (#peak  1162 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1162, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  19 TYR  H      19 TYR  HB3     3.69             (#peak  1163 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1163, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  19 TYR  H     115 LEU  QD1     5.38             (#peak  1167 #SUP  0.33  #QF  0.33) #1.0
 &rst
  ixpk= 1167, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr2= 552, 553, 554,
 &end
#
#  18 ASN  HB2    19 TYR  H       4.27             (#peak  1172 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1172, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  18 ASN  HB3    19 TYR  H       4.27             (#peak  1173 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 1173, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  19 TYR  H      19 TYR  QD      3.76             (#peak  1176 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1176, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 276, 285,
 &end
#
#  18 ASN  H      19 TYR  H       3.35             (#peak  1177 #SUP  1.00)
 &rst
  ixpk= 1177, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  19 TYR  H      20 CYSS H       3.24             (#peak  1180 #SUP  1.00)
 &rst
  ixpk= 1180, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  19 TYR  HA     19 TYR  QD      3.70             (#peak  1185 #SUP  1.00)
 &rst
  ixpk= 1185, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 276, 285,
 &end
#
#  16 LEU  HA     19 TYR  QD      3.26             (#peak  1186 #SUP  0.30  #QF  0.30)
 &rst
  ixpk= 1186, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB2    19 TYR  QD      5.50             (#peak  1194 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 1194, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB3    19 TYR  QD      5.50             (#peak  1195 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1195, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 276, 285,
 &end
#
# 111 LEU  HB3   112 VAL  H       4.18             (#peak  1198 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1198, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   2 ILE  QD1    19 TYR  QD      4.37             (#peak  1205 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 1205, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=  24,  25,  26,
 igr2= 276, 285,
 &end
#
#   2 ILE  QG2    19 TYR  QD      3.68             (#peak  1207 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 1207, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  17,  18,  19,
 igr2= 276, 285,
 &end
#
#  13 LEU  QD2   101 PHE  QD      4.28             (#peak  1207 #SUP  0.96  #QF  0.93)
 &rst
  ixpk= 1207, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 176, 177, 178,
 igr2= 335, 343,
 &end
#
#  18 ASN  H      19 TYR  QD      5.35             (#peak  1208 #SUP  0.90  #QF  0.85)
 &rst
  ixpk= 1208, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 276, 285,
 &end
#
#  14 TYR  H     101 PHE  QD      5.50             (#peak  1208 #SUP  0.90  #QF  0.85)
 &rst
  ixpk= 1208, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 335, 343,
 &end
#
#  19 TYR  QD     20 CYSS H       4.94             (#peak  1209 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1209, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 276, 285,
 &end
#
#  18 ASN  H      18 ASN  HB2     3.64             (#peak  1213 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1213, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  18 ASN  H      18 ASN  HB3     3.64             (#peak  1214 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1214, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  18 ASN  HA     18 ASN  HD21    5.50             (#peak  1233 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1233, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 GLN  HA     18 ASN  HD21    5.50             (#peak  1235 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 1235, nxpk= 0, iat= 205, 263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 TYR  HA    125 PHE  H       4.90             (#peak  1246 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 1246, nxpk= 0, iat= 270, 701, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  21 ASN  H      21 ASN  HB2     3.67             (#peak  1248 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1248, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  21 ASN  H      21 ASN  HB3     3.67             (#peak  1249 #SUP  1.00)
 &rst
  ixpk= 1249, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  21 ASN  H      21 ASN  HD22    5.50             (#peak  1254 #SUP  1.00)
 &rst
  ixpk= 1254, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 CYSS H      21 ASN  H       4.65             (#peak  1257 #SUP  1.00)
 &rst
  ixpk= 1257, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  21 ASN  H      21 ASN  HD21    5.50             (#peak  1258 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 1258, nxpk= 0, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 ASN  HA     22 SER  H       3.38             (#peak  1282 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1282, nxpk= 0, iat= 301, 313, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  21 ASN  HB2    22 SER  H       4.67             (#peak  1289 #SUP  0.91  #QF  0.24)
 &rst
  ixpk= 1289, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  21 ASN  HB3    22 SER  H       4.67             (#peak  1297 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1297, nxpk= 0, iat= 304, 313, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 119 CYSS HB2   120 GLY  QA      5.22             (#peak  1300 #SUP  0.83  #QF  0.33)
 &rst
  ixpk= 1300, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 630, 631,
 &end
#
# 116 TYR  HA    120 GLY  QA      4.83             (#peak  1302 #SUP  0.98  #QF  0.46)
 &rst
  ixpk= 1302, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 630, 631,
 &end
#
# 120 GLY  QA    121 GLU  HA      5.07             (#peak  1302 #SUP  0.98  #QF  0.46)
 &rst
  ixpk= 1302, nxpk= 0, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 630, 631,
 &end
#
#  18 ASN  HA     20 CYSS H       4.27             (#peak  1305 #SUP  0.89  #QF  0.26)
 &rst
  ixpk= 1305, nxpk= 0, iat= 256, 289, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  17 GLU  HA     20 CYSS H       3.91             (#peak  1306 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1306, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  20 CYSS H      20 CYSS HB2     3.76             (#peak  1308 #SUP  1.00)
 &rst
  ixpk= 1308, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  19 TYR  HB3    20 CYSS H       4.53             (#peak  1309 #SUP  1.00)
 &rst
  ixpk= 1309, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  19 TYR  HB2    20 CYSS H       4.53             (#peak  1314 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1314, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  20 CYSS H      20 CYSS HB3     3.76             (#peak  1317 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1317, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 117 LEU  H     117 LEU  HB2     2.90             (#peak  1324 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 1324, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  16 LEU  H      16 LEU  HB2     3.32             (#peak  1326 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1326, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  16 LEU  H      16 LEU  HG      4.53             (#peak  1334 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1334, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   2 ILE  QG2     3 VAL  H       3.40             (#peak  1336 #SUP  0.61  #QF  0.24)
 &rst
  ixpk= 1336, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=  17,  18,  19,
 &end
#
#   3 VAL  H       4 GLU  H       3.06             (#peak  1337 #SUP  0.40  #QF  0.40)
 &rst
  ixpk= 1337, nxpk= 0, iat=  30,  46, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  13 LEU  H      16 LEU  H       5.30             (#peak  1339 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1339, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  16 LEU  HA     16 LEU  HG      3.85             (#peak  1344 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1344, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  16 LEU  HA     16 LEU  QD2     3.89             (#peak  1346 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1346, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 233, 234, 235,
 &end
#
#  16 LEU  HA     16 LEU  QD1     3.89             (#peak  1348 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1348, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 229, 230, 231,
 &end
#
#   2 ILE  QD1    16 LEU  HA      4.73             (#peak  1350 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1350, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=  24,  25,  26,
 &end
#
#  13 LEU  HA     16 LEU  HG      5.35             (#peak  1353 #SUP  0.48  #QF  0.48)
 &rst
  ixpk= 1353, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 121 GLU  HA    122 ARG  H       3.50             (#peak  1355 #SUP  0.99  #QF  0.46)
 &rst
  ixpk= 1355, nxpk= 0, iat= 637, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 120 GLY  QA    122 ARG  H       3.89             (#peak  1356 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1356, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 630, 631,
 &end
#
# 122 ARG  H     122 ARG  QD      4.88             (#peak  1357 #SUP  0.96  #QF  0.91)
 &rst
  ixpk= 1357, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 660, 661,
 &end
#
# 122 ARG  H     122 ARG  HB2     3.80             (#peak  1360 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1360, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 122 ARG  H     122 ARG  HB3     3.80             (#peak  1361 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1361, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 122 ARG  H     122 ARG  QG      3.87             (#peak  1362 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1362, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 657, 658,
 &end
#
# 119 CYSS HA    122 ARG  H       4.82             (#peak  1363 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1363, nxpk= 0, iat= 620, 650, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 121 GLU  HB2   122 ARG  H       4.56             (#peak  1367 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1367, nxpk= 0, iat= 639, 650, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 121 GLU  HB3   122 ARG  H       4.56             (#peak  1368 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1368, nxpk= 0, iat= 640, 650, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 122 ARG  H     123 GLY  H       2.96             (#peak  1373 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1373, nxpk= 0, iat= 650, 674, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 122 ARG  H     122 ARG  HE      5.50             (#peak  1375 #SUP  0.82  #QF  0.54)
 &rst
  ixpk= 1375, nxpk= 0, iat= 650, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 124 PHE  HA    124 PHE  QE      5.44             (#peak  1381 #SUP  0.46  #QF  0.46) #1.0
 &rst
  ixpk= 1381, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2= 691, 695,
 &end
#
# 119 CYSS HA    122 ARG  HE      4.72             (#peak  1382 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 1382, nxpk= 0, iat= 620, 663, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 116 TYR  HA    124 PHE  QE      3.89             (#peak  1383 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 1383, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 691, 695,
 &end
#
# 122 ARG  HA    122 ARG  HE      5.50             (#peak  1384 #SUP  0.97  #QF  0.93)
 &rst
  ixpk= 1384, nxpk= 0, iat= 652, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 GLY  HA2   124 PHE  QE      4.74             (#peak  1385 #SUP  0.34  #QF  0.34)
 &rst
  ixpk= 1385, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 691, 695,
 &end
#
# 116 TYR  QB    124 PHE  QE      4.06             (#peak  1390 #SUP  0.50  #QF  0.50)
 &rst
  ixpk= 1390, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 566, 567,
 igr2= 691, 695,
 &end
#
# 122 ARG  HB2   122 ARG  HE      4.55             (#peak  1395 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1395, nxpk= 0, iat= 654, 663, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 122 ARG  HB3   122 ARG  HE      4.55             (#peak  1396 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1396, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 122 ARG  QG    122 ARG  HE      3.97             (#peak  1397 #SUP  1.00)
 &rst
  ixpk= 1397, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 657, 658,
 &end
#
# 112 VAL  QG1   124 PHE  QE      4.22             (#peak  1402 #SUP  0.31  #QF  0.31)
 &rst
  ixpk= 1402, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 508, 509, 510,
 igr2= 691, 695,
 &end
#
# 112 VAL  QG2   124 PHE  QE      4.22             (#peak  1403 #SUP  0.45  #QF  0.45)
 &rst
  ixpk= 1403, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 512, 513, 514,
 igr2= 691, 695,
 &end
#
# 115 LEU  QD1   124 PHE  QE      5.33             (#peak  1404 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 1404, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 552, 553, 554,
 igr2= 691, 695,
 &end
#
# 115 LEU  QD2   124 PHE  QE      5.33             (#peak  1405 #SUP  0.52  #QF  0.52)
 &rst
  ixpk= 1405, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 556, 557, 558,
 igr2= 691, 695,
 &end
#
# 124 PHE  H     124 PHE  QE      5.50             (#peak  1414 #SUP  0.70  #QF  0.54)
 &rst
  ixpk= 1414, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 691, 695,
 &end
#
# 116 TYR  HA    120 GLY  H       3.94             (#peak  1415 #SUP  1.00  #QF  0.42)
 &rst
  ixpk= 1415, nxpk= 0, iat= 564, 628, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 121 GLU  HA    123 GLY  H       4.52             (#peak  1415 #SUP  1.00  #QF  0.42)
 &rst
  ixpk= 1415, nxpk= 0, iat= 637, 674, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 122 ARG  HB2   123 GLY  H       4.34             (#peak  1417 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1417, nxpk= 0, iat= 654, 674, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 124 PHE  H     124 PHE  HB2     4.18             (#peak  1424 #SUP  1.00)
 &rst
  ixpk= 1424, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 123 GLY  HA2   124 PHE  H       3.56             (#peak  1427 #SUP  1.00)
 &rst
  ixpk= 1427, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 124 PHE  H     124 PHE  HB3     4.18             (#peak  1431 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1431, nxpk= 0, iat= 681, 686, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 122 ARG  HB3   123 GLY  H       4.34             (#peak  1433 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1433, nxpk= 0, iat= 655, 674, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 122 ARG  QG    123 GLY  H       4.65             (#peak  1434 #SUP  1.00)
 &rst
  ixpk= 1434, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 657, 658,
 &end
#
# 124 PHE  H     124 PHE  QD      4.23             (#peak  1435 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1435, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 689, 697,
 &end
#
#  21 ASN  H     124 PHE  H       4.13             (#peak  1438 #SUP  0.61  #QF  0.46)
 &rst
  ixpk= 1438, nxpk= 0, iat= 299, 681, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 124 PHE  H     125 PHE  H       4.68             (#peak  1438 #SUP  0.61  #QF  0.46)
 &rst
  ixpk= 1438, nxpk= 0, iat= 681, 701, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 124 PHE  HA    124 PHE  QD      3.93             (#peak  1443 #SUP  1.00)
 &rst
  ixpk= 1443, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 689, 697,
 &end
#
# 124 PHE  QD    125 PHE  HA      4.17             (#peak  1444 #SUP  0.52  #QF  0.39)
 &rst
  ixpk= 1444, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 689, 697,
 &end
#
# 124 PHE  QD    126 TYR  HA      4.56             (#peak  1444 #SUP  0.52  #QF  0.39)
 &rst
  ixpk= 1444, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 689, 697,
 &end
#
# 116 TYR  HA    124 PHE  QD      4.26             (#peak  1445 #SUP  0.52  #QF  0.52)
 &rst
  ixpk= 1445, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 689, 697,
 &end
#
# 123 GLY  HA2   124 PHE  QD      3.81             (#peak  1449 #SUP  0.53  #QF  0.53)
 &rst
  ixpk= 1449, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 689, 697,
 &end
#
# 123 GLY  HA3   124 PHE  QD      5.50             (#peak  1450 #SUP  0.71  #QF  0.36)
 &rst
  ixpk= 1450, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 697,
 &end
#
# 106 LEU  HG    111 LEU  H       5.50             (#peak  1458 #SUP  0.76  #QF  0.31) #1.0
 &rst
  ixpk= 1458, nxpk= 0, iat= 426, 483, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 115 LEU  QD1   124 PHE  QD      5.43             (#peak  1461 #SUP  0.74  #QF  0.31)
 &rst
  ixpk= 1461, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 552, 553, 554,
 igr2= 689, 697,
 &end
#
# 115 LEU  QD2   124 PHE  QD      5.43             (#peak  1462 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 1462, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 556, 557, 558,
 igr2= 689, 697,
 &end
#
# 123 GLY  H     124 PHE  QD      5.07             (#peak  1466 #SUP  0.71  #QF  0.39)
 &rst
  ixpk= 1466, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 689, 697,
 &end
#
# 124 PHE  QD    126 TYR  H       5.26             (#peak  1466 #SUP  0.71  #QF  0.39)
 &rst
  ixpk= 1466, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 689, 697,
 &end
#
# 120 GLY  QA    121 GLU  H       3.07             (#peak  1479 #SUP  1.00)
 &rst
  ixpk= 1479, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1= 630, 631,
 &end
#
#  20 CYSS HA     21 ASN  H       3.09             (#peak  1484 #SUP  0.96  #QF  0.84)
 &rst
  ixpk= 1484, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  21 ASN  H     124 PHE  HA      3.57             (#peak  1484 #SUP  0.96  #QF  0.84)
 &rst
  ixpk= 1484, nxpk= 0, iat= 299, 683, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 124 PHE  HA    125 PHE  H       3.54             (#peak  1484 #SUP  0.96  #QF  0.84)
 &rst
  ixpk= 1484, nxpk= 0, iat= 683, 701, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 125 PHE  H     125 PHE  HB3     3.78             (#peak  1489 #SUP  0.92  #QF  0.29)
 &rst
  ixpk= 1489, nxpk= 0, iat= 701, 706, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 125 PHE  H     125 PHE  HB2     3.78             (#peak  1490 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1490, nxpk= 0, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 125 PHE  H     125 PHE  QD      4.39             (#peak  1493 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1493, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 709, 717,
 &end
#
#  21 ASN  H     123 GLY  H       4.85             (#peak  1494 #SUP  0.98  #QF  0.23)
 &rst
  ixpk= 1494, nxpk= 0, iat= 299, 674, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 125 PHE  H     126 TYR  H       4.51             (#peak  1495 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1495, nxpk= 0, iat= 701, 721, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 125 PHE  HA    125 PHE  QE      4.75             (#peak  1502 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 1502, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 711, 715,
 &end
#
#  19 TYR  QD    126 TYR  HA      5.23             (#peak  1502 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 1502, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 276, 285,
 &end
#
# 125 PHE  HA    125 PHE  QD      3.96             (#peak  1503 #SUP  1.00)
 &rst
  ixpk= 1503, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 709, 717,
 &end
#
# 125 PHE  QD    127 THR  QG2     5.50             (#peak  1510 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 1510, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 709, 717,
 igr2= 748, 749, 750,
 &end
#
# 125 PHE  QD    126 TYR  H       4.21             (#peak  1513 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1513, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 709, 717,
 &end
#
# 125 PHE  QD    127 THR  H       4.21             (#peak  1514 #SUP  0.22  #QF  0.22)
 &rst
  ixpk= 1514, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 709, 717,
 &end
#
# 125 PHE  HA    126 TYR  H       3.34             (#peak  1517 #SUP  1.00)
 &rst
  ixpk= 1517, nxpk= 0, iat= 703, 721, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 119 CYSS HB3   123 GLY  H       4.67             (#peak  1519 #SUP  1.00  #QF  0.47)
 &rst
  ixpk= 1519, nxpk= 0, iat= 623, 674, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 126 TYR  H     126 TYR  QD      4.26             (#peak  1526 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1526, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 729, 738,
 &end
#
# 125 PHE  HA    126 TYR  QD      4.32             (#peak  1527 #SUP  1.00  #QF  0.64)
 &rst
  ixpk= 1527, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 729, 738,
 &end
#
# 126 TYR  HA    126 TYR  QD      4.57             (#peak  1527 #SUP  1.00  #QF  0.64)
 &rst
  ixpk= 1527, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 729, 738,
 &end
#
# 125 PHE  HA    126 TYR  QE      4.28             (#peak  1528 #SUP  0.22  #QF  0.22)
 &rst
  ixpk= 1528, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 731, 736,
 &end
#
# 126 TYR  QD    128 PRO  QD      4.88             (#peak  1530 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1530, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 729, 738,
 igr2= 757, 758,
 &end
#
# 126 TYR  QD    127 THR  H       4.86             (#peak  1540 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1540, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 729, 738,
 &end
#
# 126 TYR  HA    127 THR  H       3.47             (#peak  1542 #SUP  1.00)
 &rst
  ixpk= 1542, nxpk= 0, iat= 723, 742, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 127 THR  H     128 PRO  QD      4.77             (#peak  1544 #SUP  1.00)
 &rst
  ixpk= 1544, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 757, 758,
 &end
#
# 127 THR  H     127 THR  QG2     4.43             (#peak  1547 #SUP  1.00)
 &rst
  ixpk= 1547, nxpk= 0, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 748, 749, 750,
 &end
#
# 127 THR  H     127 THR  HB      3.80             (#peak  1548 #SUP  1.00)
 &rst
  ixpk= 1548, nxpk= 0, iat= 742, 746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 127 THR  HB    128 PRO  QD      4.46             (#peak  1556 #SUP  1.00)
 &rst
  ixpk= 1556, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 757, 758,
 &end
#
# 127 THR  QG2   128 PRO  QD      4.53             (#peak  1557 #SUP  1.00  #QF  0.31)
 &rst
  ixpk= 1557, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 748, 749, 750,
 igr2= 757, 758,
 &end
#
#  14 TYR  H      14 TYR  HB3     3.81             (#peak  1567 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 1567, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  14 TYR  HB3    15 GLN  H       4.24             (#peak  1567 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 1567, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  14 TYR  H      14 TYR  HB2     3.81             (#peak  1568 #SUP  0.96  #QF  0.89)
 &rst
  ixpk= 1568, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  14 TYR  HB2    15 GLN  H       4.24             (#peak  1568 #SUP  0.96  #QF  0.89)
 &rst
  ixpk= 1568, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  13 LEU  QD1    14 TYR  H       5.25             (#peak  1571 #SUP  0.99  #QF  0.97)
 &rst
  ixpk= 1571, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 172, 173, 174,
 &end
#
#  13 LEU  QD2    14 TYR  H       5.25             (#peak  1572 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 1572, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 176, 177, 178,
 &end
#
#  13 LEU  H      14 TYR  H       3.66             (#peak  1575 #SUP  1.00)
 &rst
  ixpk= 1575, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  14 TYR  HA     14 TYR  QE      4.69             (#peak  1577 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1577, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 192, 197,
 &end
#
#  12 SER  HA     13 LEU  H       3.42             (#peak  1584 #SUP  1.00)
 &rst
  ixpk= 1584, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  12 SER  HB2    13 LEU  H       4.11             (#peak  1585 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1585, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  13 LEU  H      14 TYR  HA      5.47             (#peak  1586 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1586, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  12 SER  HB3    13 LEU  H       4.11             (#peak  1587 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1587, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  13 LEU  H      14 TYR  HB3     5.50             (#peak  1589 #SUP  0.69  #QF  0.60)
 &rst
  ixpk= 1589, nxpk= 0, iat= 163, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  13 LEU  H      13 LEU  QD1     4.59             (#peak  1591 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1591, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 172, 173, 174,
 &end
#
#  13 LEU  H      13 LEU  QD2     4.59             (#peak  1592 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1592, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 176, 177, 178,
 &end
#
#  13 LEU  H      14 TYR  HB2     5.50             (#peak  1597 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 1597, nxpk= 0, iat= 163, 186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 LEU  QD1   114 ALA  QB      4.05             (#peak  1602 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1602, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 229, 230, 231,
 igr2= 537, 538, 539,
 &end
#
#  16 LEU  QD2   114 ALA  QB      4.05             (#peak  1603 #SUP  1.00)
 &rst
  ixpk= 1603, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 233, 234, 235,
 igr2= 537, 538, 539,
 &end
#
#  11 CYSS HA     12 SER  H       3.28             (#peak  1613 #SUP  1.00)
 &rst
  ixpk= 1613, nxpk= 0, iat= 144, 152, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  11 CYSS HB2    12 SER  H       4.17             (#peak  1617 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 1617, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  11 CYSS HB3    12 SER  H       4.17             (#peak  1618 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 1618, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  12 SER  H      15 GLN  HG3     4.19             (#peak  1620 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1620, nxpk= 0, iat= 152, 211, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  12 SER  H      15 GLN  HG2     4.19             (#peak  1624 #SUP  0.34  #QF  0.34)
 &rst
  ixpk= 1624, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  11 CYSS H      12 SER  H       4.53             (#peak  1627 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1627, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   1 GLY  QA      2 ILE  H       3.16             (#peak  1631 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 1631, nxpk= 0, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1=   6,   7,
 &end
#
#   2 ILE  H       2 ILE  HB      3.63             (#peak  1632 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 1632, nxpk= 0, iat=  11,  15, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   2 ILE  H       2 ILE  QG2     3.42             (#peak  1641 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1641, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=  17,  18,  19,
 &end
#
#   2 ILE  H       2 ILE  QD1     4.66             (#peak  1642 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1642, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=  24,  25,  26,
 &end
#
#   2 ILE  HB      2 ILE  QD1     3.60             (#peak  1645 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1645, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=  24,  25,  26,
 &end
#
# 129 LYS  H     129 LYS  QG      4.98             (#peak  1654 #SUP  1.00)
 &rst
  ixpk= 1654, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 777, 778,
 &end
#
# 129 LYS  H     129 LYS  QE      5.50             (#peak  1658 #SUP  0.63  #QF  0.46)
 &rst
  ixpk= 1658, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 783, 784,
 &end
#
# 129 LYS  HA    130 THR  H       3.50             (#peak  1672 #SUP  0.98  #QF  0.85)
 &rst
  ixpk= 1672, nxpk= 0, iat= 772, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 130 THR  H     130 THR  QG2     4.77             (#peak  1673 #SUP  1.00)
 &rst
  ixpk= 1673, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 798, 799, 800,
 &end
#
#   3 VAL  HA      6 CYSS H       4.44             (#peak  1677 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1677, nxpk= 0, iat=  32,  78, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   7 CYSS HB2     8 THR  H       4.15             (#peak  1679 #SUP  1.00)
 &rst
  ixpk= 1679, nxpk= 0, iat=  92,  98, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  13 LEU  HA     16 LEU  H       3.91             (#peak  1684 #SUP  0.88  #QF  0.41)
 &rst
  ixpk= 1684, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 109 SER  QB    110 HIS  H       4.13             (#peak  1684 #SUP  0.88  #QF  0.41)
 &rst
  ixpk= 1684, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 459, 460,
 &end
#
# 111 LEU  HA    113 GLU  H       5.21             (#peak  1686 #SUP  0.99  #QF  0.59)
 &rst
  ixpk= 1686, nxpk= 0, iat= 485, 518, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 110 HIS  HA    112 VAL  H       4.87             (#peak  1687 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1687, nxpk= 0, iat= 468, 502, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 109 SER  HA    112 VAL  H       3.60             (#peak  1688 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1688, nxpk= 0, iat= 457, 502, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 109 SER  QB    112 VAL  H       4.97             (#peak  1693 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1693, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 459, 460,
 &end
#
# 119 CYSS HB2   123 GLY  H       4.67             (#peak  1695 #SUP  0.97  #QF  0.87)
 &rst
  ixpk= 1695, nxpk= 0, iat= 622, 674, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 129 LYS  QE    131 ARG  H       4.70             (#peak  1698 #SUP  0.21  #QF  0.21)
 &rst
  ixpk= 1698, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 783, 784,
 &end
#
#  16 LEU  QD1   115 LEU  H       5.16             (#peak  1706 #SUP  0.29  #QF  0.29)
 &rst
  ixpk= 1706, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 229, 230, 231,
 &end
#
#   2 ILE  QG2     4 GLU  H       4.68             (#peak  1711 #SUP  0.73  #QF  0.56)
 &rst
  ixpk= 1711, nxpk= 0, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  17,  18,  19,
 &end
#
#  16 LEU  QD2   115 LEU  H       5.16             (#peak  1711 #SUP  0.73  #QF  0.56)
 &rst
  ixpk= 1711, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 233, 234, 235,
 &end
#
#  16 LEU  HB3    18 ASN  H       5.31             (#peak  1713 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 1713, nxpk= 0, iat= 225, 254, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 111 LEU  HB2   112 VAL  H       4.18             (#peak  1714 #SUP  1.00)
 &rst
  ixpk= 1714, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   2 ILE  H       3 VAL  HA      5.50             (#peak  1722 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1722, nxpk= 0, iat=  11,  32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 LEU  HB3   119 CYSS H       5.08             (#peak  1723 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1723, nxpk= 0, iat= 588, 618, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  10 ILE  HB    105 HIS  H       5.26             (#peak  1725 #SUP  0.94  #QF  0.92)
 &rst
  ixpk= 1725, nxpk= 0, iat= 127, 402, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 105 HIS  H     106 LEU  HG      5.50             (#peak  1725 #SUP  0.94  #QF  0.92)
 &rst
  ixpk= 1725, nxpk= 0, iat= 402, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 SER  H      16 LEU  HB2     5.50             (#peak  1726 #SUP  0.68  #QF  0.22)
 &rst
  ixpk= 1726, nxpk= 0, iat= 152, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 SER  H      16 LEU  QD1     5.50             (#peak  1731 #SUP  0.43  #QF  0.43)
 &rst
  ixpk= 1731, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 229, 230, 231,
 &end
#
#  12 SER  H      16 LEU  QD2     5.50             (#peak  1732 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 1732, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   2 ILE  QD1    12 SER  H       5.50             (#peak  1734 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 1734, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
# 105 HIS  H     106 LEU  QD2     5.50             (#peak  1736 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1736, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 432, 433, 434,
 &end
#
# 118 VAL  H     119 CYSS HA      5.33             (#peak  1738 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1738, nxpk= 0, iat= 602, 620, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  10 ILE  HA    104 GLN  H       4.89             (#peak  1743 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 1743, nxpk= 0, iat= 125, 385, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  19 TYR  H     115 LEU  QD2     5.38             (#peak  1755 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 1755, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 556, 557, 558,
 &end
#
#   2 ILE  QD1    19 TYR  H       5.50             (#peak  1757 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 1757, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#   2 ILE  QG2    19 TYR  H       5.50             (#peak  1758 #SUP  0.49  #QF  0.36)
 &rst
  ixpk= 1758, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  17,  18,  19,
 &end
#
#  16 LEU  QD2    19 TYR  H       5.50             (#peak  1758 #SUP  0.49  #QF  0.36)
 &rst
  ixpk= 1758, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#  16 LEU  QD1    19 TYR  H       5.50             (#peak  1759 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 1759, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 229, 230, 231,
 &end
#
# 114 ALA  H     117 LEU  HB2     5.50             (#peak  1765 #SUP  0.61  #QF  0.37)
 &rst
  ixpk= 1765, nxpk= 0, iat= 533, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 GLN  H      16 LEU  HB2     5.20             (#peak  1767 #SUP  0.84  #QF  0.22)
 &rst
  ixpk= 1767, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  16 LEU  HB2    18 ASN  H       5.46             (#peak  1767 #SUP  0.84  #QF  0.22)
 &rst
  ixpk= 1767, nxpk= 0, iat= 224, 254, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  15 GLN  H      16 LEU  HG      4.84             (#peak  1768 #SUP  0.46  #QF  0.46) #0.5
 &rst
  ixpk= 1768, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  14 TYR  H     118 VAL  QG2     5.50             (#peak  1771 #SUP  0.92  #QF  0.41) #1.0
 &rst
  ixpk= 1771, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 612, 613, 614,
 &end
#
#   7 CYSS HA      9 SER  H       5.50             (#peak  1773 #SUP  0.67  #QF  0.58)
 &rst
  ixpk= 1773, nxpk= 0, iat=  90, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 TYR  QD     20 CYSS HA      5.50             (#peak  1775 #SUP  0.78  #QF  0.49)
 &rst
  ixpk= 1775, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 276, 285,
 &end
#
#  19 TYR  QD    124 PHE  HA      5.50             (#peak  1775 #SUP  0.78  #QF  0.49)
 &rst
  ixpk= 1775, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 276, 285,
 &end
#
#  16 LEU  HG     19 TYR  QD      5.50             (#peak  1778 #SUP  0.66  #QF  0.40)
 &rst
  ixpk= 1778, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 276, 285,
 &end
#
# 106 LEU  HB2   112 VAL  H       5.50             (#peak  1778 #SUP  0.66  #QF  0.40)
 &rst
  ixpk= 1778, nxpk= 0, iat= 423, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 THR  QG2     9 SER  H       4.43             (#peak  1781 #SUP  1.00)
 &rst
  ixpk= 1781, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 104, 105, 106,
 &end
#
# 107 CYSS HA    111 LEU  H       5.05             (#peak  1782 #SUP  1.00)
 &rst
  ixpk= 1782, nxpk= 0, iat= 440, 483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 119 CYSS HA    124 PHE  QD      5.33             (#peak  1784 #SUP  0.26  #QF  0.26)
 &rst
  ixpk= 1784, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 689, 697,
 &end
#
# 112 VAL  HA    124 PHE  QE      4.73             (#peak  1785 #SUP  0.32  #QF  0.32)
 &rst
  ixpk= 1785, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 691, 695,
 &end
#
# 111 LEU  H     112 VAL  HA      5.50             (#peak  1786 #SUP  0.92  #QF  0.89)
 &rst
  ixpk= 1786, nxpk= 0, iat= 483, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 112 VAL  HA    124 PHE  QD      5.50             (#peak  1786 #SUP  0.92  #QF  0.89)
 &rst
  ixpk= 1786, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 697,
 &end
#
#  19 TYR  QE    127 THR  HB      5.50             (#peak  1792 #SUP  0.60  #QF  0.35)
 &rst
  ixpk= 1792, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 278, 283,
 &end
#
# 116 TYR  QE    117 LEU  HA      5.50             (#peak  1792 #SUP  0.60  #QF  0.35)
 &rst
  ixpk= 1792, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 572, 577,
 &end
#
# 105 HIS  HD2   106 LEU  H       5.50             (#peak  1795 #SUP  0.55  #QF  0.55)
 &rst
  ixpk= 1795, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 ILE  H      11 CYSS H       4.74             (#peak  1798 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1798, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   2 ILE  QD1    11 CYSS HA      5.50             (#peak  1802 #SUP  0.77  #QF  0.67)
 &rst
  ixpk= 1802, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#  10 ILE  QG2    11 CYSS HA      5.50             (#peak  1802 #SUP  0.77  #QF  0.67)
 &rst
  ixpk= 1802, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 129, 130, 131,
 &end
#
#   5 GLN  HA      6 CYSS HA      5.12             (#peak  1804 #SUP  0.76  #QF  0.51)
 &rst
  ixpk= 1804, nxpk= 0, iat=  63,  80, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   7 CYSS HA      8 THR  HA      5.49             (#peak  1804 #SUP  0.76  #QF  0.51)
 &rst
  ixpk= 1804, nxpk= 0, iat=  90, 100, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 119 CYSS HA    122 ARG  QG      5.50             (#peak  1809 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1809, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 657, 658,
 &end
#
#   7 CYSS HA    106 LEU  HB2     5.21             (#peak  1811 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1811, nxpk= 0, iat=  90, 423, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   7 CYSS HA      8 THR  QG2     5.39             (#peak  1812 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1812, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 104, 105, 106,
 &end
#
#   9 SER  HA     10 ILE  HG12    5.50             (#peak  1813 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 1813, nxpk= 0, iat= 114, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 SER  HA     10 ILE  QG2     5.20             (#peak  1814 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1814, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 129, 130, 131,
 &end
#
#   2 ILE  QD1     6 CYSS HA      5.50             (#peak  1815 #SUP  0.88  #QF  0.29)
 &rst
  ixpk= 1815, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#   6 CYSS HA     10 ILE  QG2     5.50             (#peak  1815 #SUP  0.88  #QF  0.29)
 &rst
  ixpk= 1815, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 129, 130, 131,
 &end
#
# 106 LEU  HA    106 LEU  QD2     4.22             (#peak  1834 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1834, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 432, 433, 434,
 &end
#
#  10 ILE  HA     10 ILE  QG2     3.72             (#peak  1837 #SUP  1.00)
 &rst
  ixpk= 1837, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 129, 130, 131,
 &end
#
#  10 ILE  HA     10 ILE  QD1     5.04             (#peak  1838 #SUP  1.00)
 &rst
  ixpk= 1838, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 136, 137, 138,
 &end
#
#  17 GLU  HA     17 GLU  HG3     4.11             (#peak  1839 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1839, nxpk= 0, iat= 241, 247, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   4 GLU  HA      8 THR  QG2     4.28             (#peak  1845 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 1845, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 104, 105, 106,
 &end
#
#  16 LEU  HA    115 LEU  QD2     4.84             (#peak  1848 #SUP  0.25  #QF  0.25)
 &rst
  ixpk= 1848, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 556, 557, 558,
 &end
#
# 106 LEU  HB3   110 HIS  HB2     5.13             (#peak  1852 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 1852, nxpk= 0, iat= 424, 470, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 106 LEU  QD1   110 HIS  HB2     5.50             (#peak  1853 #SUP  0.93  #QF  0.58)
 &rst
  ixpk= 1853, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 428, 429, 430,
 &end
#
# 117 LEU  HB3   117 LEU  QD2     3.36             (#peak  1857 #SUP  0.87  #QF  0.21)
 &rst
  ixpk= 1857, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 596, 597, 598,
 &end
#
# 116 TYR  HA    118 VAL  H       4.75             (#peak  1870 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1870, nxpk= 0, iat= 564, 602, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 109 SER  H     112 VAL  HB      5.50             (#peak  1875 #SUP  0.72  #QF  0.33)
 &rst
  ixpk= 1875, nxpk= 0, iat= 455, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 108 GLY  H     111 LEU  HG      4.75             (#peak  1877 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 1877, nxpk= 0, iat= 448, 490, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 107 CYSS HA    110 HIS  H       5.43             (#peak  1883 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1883, nxpk= 0, iat= 440, 466, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  14 TYR  H     118 VAL  QG1     5.50             (#peak  1899 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 1899, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   6 CYSS HA     10 ILE  H       5.29             (#peak  1900 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1900, nxpk= 0, iat=  80, 123, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  18 ASN  HA     18 ASN  HD22    5.50             (#peak  1905 #SUP  1.00)
 &rst
  ixpk= 1905, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  13 LEU  H     101 PHE  QD      5.50             (#peak  1915 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1915, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 335, 343,
 &end
#
#   9 SER  HB3    10 ILE  QD1     5.50             (#peak  1922 #SUP  0.97  #QF  0.76)
 &rst
  ixpk= 1922, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 &end
#
#   9 SER  HB2    10 ILE  QD1     5.50             (#peak  1923 #SUP  0.72  #QF  0.53)
 &rst
  ixpk= 1923, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 &end
#
# 117 LEU  HB2   119 CYSS H       5.50             (#peak  1933 #SUP  0.41  #QF  0.23)
 &rst
  ixpk= 1933, nxpk= 0, iat= 587, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 117 LEU  HG    119 CYSS H       5.50             (#peak  1933 #SUP  0.41  #QF  0.23)
 &rst
  ixpk= 1933, nxpk= 0, iat= 590, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 115 LEU  QD2   119 CYSS H       5.50             (#peak  1935 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 1935, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 556, 557, 558,
 &end
#
#   6 CYSS HA      8 THR  H       5.31             (#peak  1936 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1936, nxpk= 0, iat=  80,  98, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  20 CYSS H      21 ASN  HA      5.50             (#peak  1937 #SUP  0.53  #QF  0.53)
 &rst
  ixpk= 1937, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 GLY  HA3   124 PHE  QE      5.50             (#peak  1939 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 1939, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 691, 695,
 &end
#
# 121 GLU  H     122 ARG  H       3.37             (#peak  1951 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1951, nxpk= 0, iat= 635, 650, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  13 LEU  H      14 TYR  QD      5.50             (#peak  1953 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 1953, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 190, 199,
 &end
#
# 113 GLU  HB2   116 TYR  QB      5.50             (#peak  1964 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1964, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
# 111 LEU  QD1   112 VAL  HA      5.50             (#peak  1967 #SUP  0.95  #QF  0.95) #3.0
 &rst
  ixpk= 1967, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 9.61, r4= 10.11,
 igr1= 492, 493, 494,
 &end
#
# 111 LEU  QD2   112 VAL  HA      5.50             (#peak  1970 #SUP  0.92  #QF  0.24)
 &rst
  ixpk= 1970, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 496, 497, 498,
 &end
#
# 112 VAL  HA    115 LEU  QD1     4.06             (#peak  1971 #SUP  0.37  #QF  0.37)
 &rst
  ixpk= 1971, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 552, 553, 554,
 &end
#
# 106 LEU  HG    110 HIS  HB3     4.72             (#peak  1975 #SUP  0.52  #QF  0.25)
 &rst
  ixpk= 1975, nxpk= 0, iat= 426, 471, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  13 LEU  H      13 LEU  HG      3.33             (#peak  1985 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 1985, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 103 LYS  H     103 LYS  QE      4.22             (#peak  1987 #SUP  0.77  #QF  0.29)
 &rst
  ixpk= 1987, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 376, 377,
 &end
#
# 103 LYS  H     103 LYS  QD      4.32             (#peak  1990 #SUP  0.93  #QF  0.68)
 &rst
  ixpk= 1990, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 373, 374,
 &end
#
#   2 ILE  H       2 ILE  QG1     4.44             (#peak  1071)
 &rst
  ixpk= 1071, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=  21,  22,
 &end
#
#   2 ILE  H       3 VAL  QQG     4.70             (#peak  1635)
 &rst
  ixpk= 1635, nxpk= 0, iat=  11,  33, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   2 ILE  HA      5 GLN  QB      3.18             (#peak   888)
 &rst
  ixpk= 888, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=  65,  66,
 &end
#
#   2 ILE  QG2     2 ILE  QG1     2.60             (#peak   287) #1.0
 &rst
  ixpk= 287, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=  17,  18,  19,
 igr2=  21,  22,
 &end
#
#   2 ILE  QG2     3 VAL  QQG     3.08             (#peak   287) #1.0
 &rst
  ixpk= 287, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=  17,  18,  19,
 &end
#
#   2 ILE  QG1     3 VAL  H       4.54             (#peak   847)
 &rst
  ixpk= 847, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  21,  22,
 &end
#
#   2 ILE  QG1     6 CYSS H       4.46             (#peak  1655)
 &rst
  ixpk= 1655, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  21,  22,
 &end
#
#   2 ILE  QG1    19 TYR  QE      3.59             (#peak  1018)
 &rst
  ixpk= 1018, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=  21,  22,
 igr2= 278, 283,
 &end
#
#   2 ILE  QD1    11 CYSS QB      3.72             (#peak  1184)
 &rst
  ixpk= 1184, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  24,  25,  26,
 igr2= 146, 147,
 &end
#
#   2 ILE  QD1    19 TYR  QB      4.06             (#peak  1184)
 &rst
  ixpk= 1184, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  24,  25,  26,
 igr2= 272, 273,
 &end
#
#   3 VAL  H       3 VAL  QQG     3.04             (#peak   248)
 &rst
  ixpk= 248, nxpk= 0, iat=  30,  33, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   3 VAL  H     111 LEU  QQD     5.12             (#peak  1327)
 &rst
  ixpk= 1327, nxpk= 0, iat=  30, 489, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   3 VAL  HA      6 CYSS QB      3.70             (#peak   263)
 &rst
  ixpk= 263, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=  82,  83,
 &end
#
#   3 VAL  HA    111 LEU  QQD     3.78             (#peak   274)
 &rst
  ixpk= 274, nxpk= 0, iat=  32, 489, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   3 VAL  QQG     4 GLU  H       4.12             (#peak   237)
 &rst
  ixpk= 237, nxpk= 0, iat=  33,  46, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   3 VAL  QQG     4 GLU  HA      4.30             (#peak  1846)
 &rst
  ixpk= 1846, nxpk= 0, iat=  33,  48, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   3 VAL  QQG     5 GLN  H       5.28             (#peak    59)
 &rst
  ixpk= 59, nxpk= 0, iat=  33,  61, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   3 VAL  QQG     7 CYSS H       5.44             (#peak    59)
 &rst
  ixpk= 59, nxpk= 0, iat=  33,  88, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   3 VAL  QQG     7 CYSS QB      3.99             (#peak   134)
 &rst
  ixpk= 134, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=  92,  93,
 &end
#
#   3 VAL  QQG   128 PRO  QB      4.48             (#peak   404)
 &rst
  ixpk= 404, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 763, 764,
 &end
#
#   4 GLU  H       4 GLU  QB      2.61             (#peak    44)
 &rst
  ixpk= 44, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr2=  50,  51,
 &end
#
#   4 GLU  H       4 GLU  QG      4.62             (#peak   236)
 &rst
  ixpk= 236, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=  53,  54,
 &end
#
#   4 GLU  HA      4 GLU  QG      3.41             (#peak   242)
 &rst
  ixpk= 242, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=  53,  54,
 &end
#
#   4 GLU  QB      5 GLN  H       3.87             (#peak   194)
 &rst
  ixpk= 194, nxpk= 0, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=  50,  51,
 &end
#
#   4 GLU  QG      5 GLN  H       3.85             (#peak   197)
 &rst
  ixpk= 197, nxpk= 0, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  53,  54,
 &end
#
#   4 GLU  QG      8 THR  H       5.11             (#peak   236)
 &rst
  ixpk= 236, nxpk= 0, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  53,  54,
 &end
#
#   4 GLU  QG      8 THR  QG2     4.62             (#peak   128)
 &rst
  ixpk= 128, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=  53,  54,
 igr2= 104, 105, 106,
 &end
#
#   5 GLN  H       5 GLN  QB      3.03             (#peak   193)
 &rst
  ixpk= 193, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2=  65,  66,
 &end
#
#   5 GLN  H       5 GLN  QG      4.09             (#peak   199)
 &rst
  ixpk= 199, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=  68,  69,
 &end
#
#   5 GLN  HA      5 GLN  QG      3.08             (#peak   204)
 &rst
  ixpk= 204, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=  68,  69,
 &end
#
#   5 GLN  QB      5 GLN  HE21    4.02             (#peak   222)
 &rst
  ixpk= 222, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=  65,  66,
 &end
#
#   5 GLN  QB      6 CYSS H       2.80             (#peak   166)
 &rst
  ixpk= 166, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  65,  66,
 &end
#
#   5 GLN  QG      5 GLN  HE21    3.08             (#peak   220)
 &rst
  ixpk= 220, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=  68,  69,
 &end
#
#   5 GLN  QG      6 CYSS H       4.94             (#peak   175)
 &rst
  ixpk= 175, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  68,  69,
 &end
#
#   5 GLN  HE21    9 SER  QB      5.34             (#peak   216)
 &rst
  ixpk= 216, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 116, 117,
 &end
#
#   5 GLN  HE22    9 SER  QB      5.34             (#peak   224)
 &rst
  ixpk= 224, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 116, 117,
 &end
#
#   6 CYSS H       6 CYSS QB      3.21             (#peak   163)
 &rst
  ixpk= 163, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  82,  83,
 &end
#
#   6 CYSS H       7 CYSS QB      5.07             (#peak   172)
 &rst
  ixpk= 172, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=  92,  93,
 &end
#
#   6 CYSS H     111 LEU  QQD     5.44             (#peak   179)
 &rst
  ixpk= 179, nxpk= 0, iat=  78, 489, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   6 CYSS HA     11 CYSS QB      4.71             (#peak   156)
 &rst
  ixpk= 156, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 146, 147,
 &end
#
#   6 CYSS HA    111 LEU  QQD     4.53             (#peak  1816) #1.0
 &rst
  ixpk= 1816, nxpk= 0, iat=  80, 489, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#   6 CYSS QB      7 CYSS H       4.13             (#peak    63)
 &rst
  ixpk= 63, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB     16 LEU  QQD     4.70             (#peak   185) #1.0
 &rst
  ixpk= 185, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    106 LEU  H       3.75             (#peak  1718)
 &rst
  ixpk= 1718, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    106 LEU  HB2     3.54             (#peak   151)
 &rst
  ixpk= 151, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    106 LEU  QQD     4.05             (#peak   153) #0.5
 &rst
  ixpk= 153, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    111 LEU  HA      5.34             (#peak   110)
 &rst
  ixpk= 110, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    111 LEU  QQD     2.87             (#peak  1973)
 &rst
  ixpk= 1973, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr1=  82,  83,
 &end
#
#   7 CYSS H       7 CYSS QB      3.11             (#peak    56)
 &rst
  ixpk= 56, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=  92,  93,
 &end
#
#   7 CYSS HA    105 HIS  QB      3.90             (#peak   144)
 &rst
  ixpk= 144, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 406, 407,
 &end
#
#   7 CYSS HA    106 LEU  QQD     5.44             (#peak  1817)
 &rst
  ixpk= 1817, nxpk= 0, iat=  90, 425, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   7 CYSS HA    107 CYSS QB      4.14             (#peak   146)
 &rst
  ixpk= 146, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 442, 443,
 &end
#
#   7 CYSS HA    111 LEU  QQD     5.44             (#peak  1817)
 &rst
  ixpk= 1817, nxpk= 0, iat=  90, 489, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   7 CYSS QB      8 THR  H       3.33             (#peak    43)
 &rst
  ixpk= 43, nxpk= 0, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=  92,  93,
 &end
#
#   7 CYSS QB      8 THR  HA      4.95             (#peak   110)
 &rst
  ixpk= 110, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  92,  93,
 &end
#
#   7 CYSS QB      8 THR  QG2     3.87             (#peak   130)
 &rst
  ixpk= 130, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=  92,  93,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS QB    107 CYSS HA      3.22             (#peak   142)
 &rst
  ixpk= 142, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=  92,  93,
 &end
#
#   7 CYSS QB    111 LEU  QQD     4.97             (#peak   140)
 &rst
  ixpk= 140, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=  92,  93,
 &end
#
#   8 THR  H       9 SER  QB      4.94             (#peak  1681)
 &rst
  ixpk= 1681, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 116, 117,
 &end
#
#   8 THR  QG2     9 SER  QB      5.34             (#peak   112)
 &rst
  ixpk= 112, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 104, 105, 106,
 igr2= 116, 117,
 &end
#
#   9 SER  H       9 SER  QB      3.55             (#peak    38)
 &rst
  ixpk= 38, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 116, 117,
 &end
#
#   9 SER  HA     10 ILE  QG1     4.80             (#peak  1813)
 &rst
  ixpk= 1813, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 133, 134,
 &end
#
#   9 SER  QB     10 ILE  H       3.37             (#peak    15)
 &rst
  ixpk= 15, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 116, 117,
 &end
#
#   9 SER  QB     10 ILE  QG1     4.76             (#peak  1922)
 &rst
  ixpk= 1922, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 116, 117,
 igr2= 133, 134,
 &end
#
#  10 ILE  QG2   103 LYS  QB      3.82             (#peak    94)
 &rst
  ixpk= 94, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 129, 130, 131,
 igr2= 367, 368,
 &end
#
#  10 ILE  QG1    11 CYSS H       4.64             (#peak    12)
 &rst
  ixpk= 12, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 133, 134,
 &end
#
#  10 ILE  QG1   103 LYS  HA      5.34             (#peak   525)
 &rst
  ixpk= 525, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 133, 134,
 &end
#
#  10 ILE  QG1   104 GLN  H       5.29             (#peak   472)
 &rst
  ixpk= 472, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 133, 134,
 &end
#
#  10 ILE  QD1   103 LYS  QB      4.05             (#peak    98)
 &rst
  ixpk= 98, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 136, 137, 138,
 igr2= 367, 368,
 &end
#
#  11 CYSS HA     12 SER  QB      5.33             (#peak  1983)
 &rst
  ixpk= 1983, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 156, 157,
 &end
#
#  11 CYSS HA     15 GLN  QG      5.18             (#peak  1801)
 &rst
  ixpk= 1801, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 210, 211,
 &end
#
#  11 CYSS QB     12 SER  H       3.32             (#peak  1618)
 &rst
  ixpk= 1618, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 146, 147,
 &end
#
#  11 CYSS QB     12 SER  QB      5.18             (#peak   546)
 &rst
  ixpk= 546, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 146, 147,
 igr2= 156, 157,
 &end
#
#  11 CYSS QB     16 LEU  HB2     5.34             (#peak    85)
 &rst
  ixpk= 85, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 146, 147,
 &end
#
#  11 CYSS QB     16 LEU  QQD     4.90             (#peak   154)
 &rst
  ixpk= 154, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 146, 147,
 &end
#
#  12 SER  H      12 SER  QB      3.58             (#peak  1131)
 &rst
  ixpk= 1131, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 156, 157,
 &end
#
#  12 SER  H      15 GLN  QB      3.62             (#peak  1626)
 &rst
  ixpk= 1626, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 207, 208,
 &end
#
#  12 SER  H      15 GLN  QG      3.52             (#peak  1624)
 &rst
  ixpk= 1624, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 210, 211,
 &end
#
#  12 SER  H      16 LEU  QQD     4.85             (#peak  1732)
 &rst
  ixpk= 1732, nxpk= 0, iat= 152, 226, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  12 SER  HA     13 LEU  QB      5.12             (#peak   533)
 &rst
  ixpk= 533, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 167, 168,
 &end
#
#  12 SER  HA    103 LYS  QG      5.34             (#peak   533)
 &rst
  ixpk= 533, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 370, 371,
 &end
#
#  12 SER  QB     14 TYR  H       4.12             (#peak  1559)
 &rst
  ixpk= 1559, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 156, 157,
 &end
#
#  12 SER  QB     14 TYR  QB      4.45             (#peak  1630)
 &rst
  ixpk= 1630, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 156, 157,
 igr2= 186, 187,
 &end
#
#  12 SER  QB     14 TYR  QD      5.34             (#peak  1529)
 &rst
  ixpk= 1529, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 156, 157,
 igr2= 190, 199,
 &end
#
#  12 SER  QB     15 GLN  H       4.42             (#peak  1559)
 &rst
  ixpk= 1559, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 156, 157,
 &end
#
#  12 SER  QB    103 LYS  QG      4.11             (#peak   756)
 &rst
  ixpk= 756, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 156, 157,
 igr2= 370, 371,
 &end
#
#  12 SER  QB    103 LYS  QE      5.16             (#peak  1630)
 &rst
  ixpk= 1630, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 156, 157,
 igr2= 376, 377,
 &end
#
#  13 LEU  H      13 LEU  QB      3.04             (#peak  1590)
 &rst
  ixpk= 1590, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 167, 168,
 &end
#
#  13 LEU  H      13 LEU  QQD     3.97             (#peak  1591)
 &rst
  ixpk= 1591, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  13 LEU  H     118 VAL  QQG     5.44             (#peak  1882)
 &rst
  ixpk= 1882, nxpk= 0, iat= 163, 605, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  13 LEU  HA     13 LEU  QQD     3.60             (#peak   665)
 &rst
  ixpk= 665, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  13 LEU  HA     16 LEU  QQD     4.38             (#peak   664)
 &rst
  ixpk= 664, nxpk= 0, iat= 165, 226, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  13 LEU  HA    118 VAL  QQG     3.72             (#peak   893)
 &rst
  ixpk= 893, nxpk= 0, iat= 165, 605, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  13 LEU  QB     14 TYR  H       4.03             (#peak  1570)
 &rst
  ixpk= 1570, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 167, 168,
 &end
#
#  13 LEU  QB    101 PHE  QD      5.28             (#peak   760)
 &rst
  ixpk= 760, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 167, 168,
 igr2= 335, 343,
 &end
#
#  13 LEU  QB    118 VAL  QQG     4.13             (#peak   748)
 &rst
  ixpk= 748, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 167, 168,
 &end
#
#  13 LEU  QQD   101 PHE  QB      4.49             (#peak   551)
 &rst
  ixpk= 551, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 331, 332,
 &end
#
#  13 LEU  QQD   101 PHE  HZ      4.56             (#peak   570)
 &rst
  ixpk= 570, nxpk= 0, iat= 169, 339, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  13 LEU  QQD   118 VAL  QQG     3.18             (#peak  1104) #2.0
 &rst
  ixpk= 1104, nxpk= 0, iat= 169, 605, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  14 TYR  H      14 TYR  QB      3.11             (#peak  1568)
 &rst
  ixpk= 1568, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 186, 187,
 &end
#
#  14 TYR  QB     15 GLN  H       3.49             (#peak  1568)
 &rst
  ixpk= 1568, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 186, 187,
 &end
#
#  14 TYR  QB     15 GLN  QG      4.01             (#peak   315)
 &rst
  ixpk= 315, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 186, 187,
 igr2= 210, 211,
 &end
#
#  15 GLN  H      15 GLN  QB      3.29             (#peak   294)
 &rst
  ixpk= 294, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 207, 208,
 &end
#
#  15 GLN  H      15 GLN  QG      2.81             (#peak   293)
 &rst
  ixpk= 293, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2= 210, 211,
 &end
#
#  15 GLN  H      16 LEU  QQD     5.44             (#peak  1572)
 &rst
  ixpk= 1572, nxpk= 0, iat= 203, 226, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  15 GLN  HA     18 ASN  QB      4.29             (#peak   305)
 &rst
  ixpk= 305, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 258, 259,
 &end
#
#  15 GLN  QB     15 GLN  QE2     4.32             (#peak   330)
 &rst
  ixpk= 330, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 207, 208,
 igr2= 215, 216,
 &end
#
#  15 GLN  QG     16 LEU  H       5.10             (#peak  1330)
 &rst
  ixpk= 1330, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 210, 211,
 &end
#
#  16 LEU  H      16 LEU  QQD     4.20             (#peak  1335)
 &rst
  ixpk= 1335, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  16 LEU  HA     16 LEU  QQD     3.29             (#peak  1348)
 &rst
  ixpk= 1348, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  16 LEU  HA     19 TYR  QB      3.82             (#peak    73)
 &rst
  ixpk= 73, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 272, 273,
 &end
#
#  16 LEU  HA    115 LEU  QQD     3.82             (#peak   915) #1.0
 &rst
  ixpk= 915, nxpk= 0, iat= 222, 549, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  16 LEU  HB2    16 LEU  QQD     2.73             (#peak   386)
 &rst
  ixpk= 386, nxpk= 0, iat= 224, 226, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
#  16 LEU  HB2   118 VAL  QQG     3.67             (#peak  1107)
 &rst
  ixpk= 1107, nxpk= 0, iat= 224, 605, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  16 LEU  HB3    16 LEU  QQD     2.75             (#peak   823)
 &rst
  ixpk= 823, nxpk= 0, iat= 225, 226, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#  16 LEU  HB3   115 LEU  QQD     5.29             (#peak   907) #1.0
 &rst
  ixpk= 907, nxpk= 0, iat= 225, 549, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  16 LEU  HB3   118 VAL  QQG     4.24             (#peak  1110)
 &rst
  ixpk= 1110, nxpk= 0, iat= 225, 605, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  16 LEU  HG    118 VAL  QQG     3.80             (#peak  1108) #0.5
 &rst
  ixpk= 1108, nxpk= 0, iat= 227, 605, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  16 LEU  QQD    19 TYR  QE      3.64             (#peak  1020) #0.5
 &rst
  ixpk= 1020, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 278, 283,
 &end
#
#  16 LEU  QQD   114 ALA  H       5.44             (#peak  1887)
 &rst
  ixpk= 1887, nxpk= 0, iat= 226, 533, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  16 LEU  QQD   114 ALA  QB      3.48             (#peak  1603)
 &rst
  ixpk= 1603, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 537, 538, 539,
 &end
#
#  16 LEU  QQD   115 LEU  H       3.77             (#peak  1706)
 &rst
  ixpk= 1706, nxpk= 0, iat= 226, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  16 LEU  QQD   118 VAL  QQG     2.74             (#peak  1105) #2.0
 &rst
  ixpk= 1105, nxpk= 0, iat= 226, 605, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  17 GLU  HA     17 GLU  QG      3.46             (#peak  1839)
 &rst
  ixpk= 1839, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 246, 247,
 &end
#
#  17 GLU  HA     20 CYSS QB      4.36             (#peak  1981)
 &rst
  ixpk= 1981, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 293, 294,
 &end
#
#  17 GLU  HA    118 VAL  QQG     3.51             (#peak  1125) #1.0
 &rst
  ixpk= 1125, nxpk= 0, iat= 241, 605, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  17 GLU  QB     18 ASN  H       4.21             (#peak  1218)
 &rst
  ixpk= 1218, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 243, 244,
 &end
#
#  17 GLU  QB    118 VAL  QQG     3.24             (#peak  1098) #1.0
 &rst
  ixpk= 1098, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 243, 244,
 &end
#
#  17 GLU  QG    118 VAL  QQG     3.67             (#peak  1116) #0.5
 &rst
  ixpk= 1116, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 246, 247,
 &end
#
#  18 ASN  H      18 ASN  QB      3.07             (#peak  1214)
 &rst
  ixpk= 1214, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 258, 259,
 &end
#
#  18 ASN  H      18 ASN  QD2     4.60             (#peak  1221)
 &rst
  ixpk= 1221, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 263, 264,
 &end
#
#  18 ASN  H     118 VAL  QQG     5.44             (#peak  1771) #1.0
 &rst
  ixpk= 1771, nxpk= 0, iat= 254, 605, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  18 ASN  QB     19 TYR  H       3.60             (#peak  1173)
 &rst
  ixpk= 1173, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 258, 259,
 &end
#
#  18 ASN  QD2    19 TYR  H       5.34             (#peak  1375)
 &rst
  ixpk= 1375, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 263, 264,
 &end
#
#  19 TYR  H      19 TYR  QB      3.19             (#peak  1162)
 &rst
  ixpk= 1162, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 272, 273,
 &end
#
#  19 TYR  H      20 CYSS QB      4.61             (#peak  1171)
 &rst
  ixpk= 1171, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 293, 294,
 &end
#
#  19 TYR  H     115 LEU  QQD     4.35             (#peak  1167) #1.0
 &rst
  ixpk= 1167, nxpk= 0, iat= 268, 549, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  19 TYR  H     118 VAL  QQG     5.37             (#peak  1761) #1.0
 &rst
  ixpk= 1761, nxpk= 0, iat= 268, 605, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#  19 TYR  HA    115 LEU  QQD     4.88             (#peak   919) #1.0
 &rst
  ixpk= 919, nxpk= 0, iat= 270, 549, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  19 TYR  QB    115 LEU  QQD     3.40             (#peak   909)
 &rst
  ixpk= 909, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 272, 273,
 &end
#
#  19 TYR  HB2   115 LEU  QD1     5.63             (#peak   909)
 &rst
  ixpk= 909, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 552, 553, 554,
 &end
#
#  19 TYR  QB    125 PHE  H       3.73             (#peak  1487)
 &rst
  ixpk= 1487, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 272, 273,
 &end
#
#  19 TYR  QD    115 LEU  QB      4.42             (#peak  1196)
 &rst
  ixpk= 1196, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 276, 285,
 igr2= 547, 548,
 &end
#
#  19 TYR  QD    115 LEU  QQD     3.49             (#peak  1206)
 &rst
  ixpk= 1206, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 276, 285,
 &end
#
#  19 TYR  QD    125 PHE  QB      5.08             (#peak  1508)
 &rst
  ixpk= 1508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 276, 285,
 igr2= 705, 706,
 &end
#
#  19 TYR  QE    115 LEU  QQD     3.42             (#peak  1022) #0.5
 &rst
  ixpk= 1022, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 278, 283,
 &end
#
#  20 CYSS H      20 CYSS QB      3.13             (#peak  1317)
 &rst
  ixpk= 1317, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 293, 294,
 &end
#
#  20 CYSS H     115 LEU  QQD     4.79             (#peak  1318) #0.5
 &rst
  ixpk= 1318, nxpk= 0, iat= 289, 549, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  20 CYSS H     118 VAL  QQG     5.44             (#peak  1896) #1.0
 &rst
  ixpk= 1896, nxpk= 0, iat= 289, 605, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  20 CYSS HA     21 ASN  QB      5.34             (#peak  1826)
 &rst
  ixpk= 1826, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 303, 304,
 &end
#
#  20 CYSS HA    115 LEU  QQD     4.67             (#peak   918) #1.0
 &rst
  ixpk= 918, nxpk= 0, iat= 291, 549, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  20 CYSS QB     21 ASN  H       3.69             (#peak  1247)
 &rst
  ixpk= 1247, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 293, 294,
 &end
#
#  20 CYSS QB     22 SER  H       5.34             (#peak  1295)
 &rst
  ixpk= 1295, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 293, 294,
 &end
#
#  20 CYSS QB    124 PHE  H       5.34             (#peak  1762)
 &rst
  ixpk= 1762, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 293, 294,
 &end
#
#  21 ASN  H      21 ASN  QB      3.19             (#peak  1248)
 &rst
  ixpk= 1248, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 303, 304,
 &end
#
#  21 ASN  H      21 ASN  QD2     4.84             (#peak  1254)
 &rst
  ixpk= 1254, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 308, 309,
 &end
#
#  21 ASN  H     124 PHE  QB      4.14             (#peak  1488)
 &rst
  ixpk= 1488, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 685, 686,
 &end
#
#  21 ASN  HA     21 ASN  QD2     4.40             (#peak  1270)
 &rst
  ixpk= 1270, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 308, 309,
 &end
#
#  21 ASN  QB     21 ASN  QD2     3.17             (#peak  1269)
 &rst
  ixpk= 1269, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 303, 304,
 igr2= 308, 309,
 &end
#
#  21 ASN  QB    124 PHE  HA      3.70             (#peak  1824)
 &rst
  ixpk= 1824, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 303, 304,
 &end
#
#  21 ASN  QD2   123 GLY  HA2     5.08             (#peak  1278)
 &rst
  ixpk= 1278, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 308, 309,
 &end
#
#  21 ASN  QD2   123 GLY  HA3     5.27             (#peak  1907)
 &rst
  ixpk= 1907, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 308, 309,
 &end
#
#  21 ASN  QD2   124 PHE  H       4.89             (#peak  1280)
 &rst
  ixpk= 1280, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 308, 309,
 &end
#
#  21 ASN  QD2   124 PHE  HA      4.64             (#peak  1903)
 &rst
  ixpk= 1903, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 308, 309,
 &end
#
#  22 SER  H      22 SER  QB      3.51             (#peak  1294)
 &rst
  ixpk= 1294, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 317, 318,
 &end
#
# 101 PHE  HA    102 VAL  QQG     4.57             (#peak   547)
 &rst
  ixpk= 547, nxpk= 0, iat= 329, 350, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 101 PHE  QB    102 VAL  H       4.18             (#peak   541)
 &rst
  ixpk= 541, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 331, 332,
 &end
#
# 102 VAL  H     102 VAL  QQG     3.24             (#peak   233)
 &rst
  ixpk= 233, nxpk= 0, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 102 VAL  QQG   103 LYS  H       3.76             (#peak   518)
 &rst
  ixpk= 518, nxpk= 0, iat= 350, 363, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 102 VAL  QQG   104 GLN  QE2     4.54             (#peak   492)
 &rst
  ixpk= 492, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 397, 398,
 &end
#
# 103 LYS  H     103 LYS  QG      3.31             (#peak   509)
 &rst
  ixpk= 509, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 370, 371,
 &end
#
# 103 LYS  HA    103 LYS  QG      3.65             (#peak   522)
 &rst
  ixpk= 522, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 370, 371,
 &end
#
# 103 LYS  QB    104 GLN  H       3.31             (#peak   470)
 &rst
  ixpk= 470, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 367, 368,
 &end
#
# 103 LYS  QG    104 GLN  H       4.51             (#peak   881)
 &rst
  ixpk= 881, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 370, 371,
 &end
#
# 104 GLN  H     104 GLN  QG      4.68             (#peak   468)
 &rst
  ixpk= 468, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 392, 393,
 &end
#
# 104 GLN  QB    104 GLN  QE2     4.22             (#peak   486)
 &rst
  ixpk= 486, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 389, 390,
 igr2= 397, 398,
 &end
#
# 104 GLN  QB    105 HIS  H       3.78             (#peak   412)
 &rst
  ixpk= 412, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 389, 390,
 &end
#
# 104 GLN  QB    106 LEU  H       5.34             (#peak  1875)
 &rst
  ixpk= 1875, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 389, 390,
 &end
#
# 104 GLN  QB    106 LEU  QQD     3.95             (#peak   859)
 &rst
  ixpk= 859, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 389, 390,
 &end
#
# 104 GLN  QG    105 HIS  H       4.75             (#peak   419)
 &rst
  ixpk= 419, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 392, 393,
 &end
#
# 104 GLN  QG    106 LEU  QQD     4.85             (#peak  1927)
 &rst
  ixpk= 1927, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 392, 393,
 &end
#
# 104 GLN  QE2   106 LEU  QQD     4.12             (#peak   489)
 &rst
  ixpk= 489, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 397, 398,
 &end
#
# 104 GLN  QE2   114 ALA  QB      5.01             (#peak   566)
 &rst
  ixpk= 566, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 397, 398,
 igr2= 537, 538, 539,
 &end
#
# 105 HIS  H     105 HIS  QB      3.16             (#peak   410)
 &rst
  ixpk= 410, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 406, 407,
 &end
#
# 105 HIS  HA    106 LEU  QQD     4.39             (#peak   407)
 &rst
  ixpk= 407, nxpk= 0, iat= 404, 425, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 105 HIS  QB    106 LEU  H       4.03             (#peak   344)
 &rst
  ixpk= 344, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 406, 407,
 &end
#
# 105 HIS  QB    106 LEU  QQD     5.28             (#peak  1853)
 &rst
  ixpk= 1853, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 406, 407,
 &end
#
# 105 HIS  HD2   106 LEU  QQD     5.44             (#peak   490)
 &rst
  ixpk= 490, nxpk= 0, iat= 415, 425, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 106 LEU  H     106 LEU  QQD     3.96             (#peak   355)
 &rst
  ixpk= 355, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 106 LEU  H     111 LEU  QB      5.34             (#peak   642)
 &rst
  ixpk= 642, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 487, 488,
 &end
#
# 106 LEU  HA    106 LEU  QQD     3.08             (#peak  1834)
 &rst
  ixpk= 1834, nxpk= 0, iat= 421, 425, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 106 LEU  HB2   106 LEU  QQD     2.61             (#peak   371)
 &rst
  ixpk= 371, nxpk= 0, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
# 106 LEU  HB2   111 LEU  QB      3.80             (#peak   367)
 &rst
  ixpk= 367, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 487, 488,
 &end
#
# 106 LEU  HB2   111 LEU  QQD     3.67             (#peak   373)
 &rst
  ixpk= 373, nxpk= 0, iat= 423, 489, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 106 LEU  HB3   106 LEU  QQD     3.01             (#peak   287) #1.0
 &rst
  ixpk= 287, nxpk= 0, iat= 424, 425, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 106 LEU  QQD   107 CYSS H       4.59             (#peak   580)
 &rst
  ixpk= 580, nxpk= 0, iat= 425, 438, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 106 LEU  QQD   110 HIS  HB2     4.22             (#peak   683)
 &rst
  ixpk= 683, nxpk= 0, iat= 425, 470, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 106 LEU  QQD   110 HIS  HB3     3.13             (#peak  1925)
 &rst
  ixpk= 1925, nxpk= 0, iat= 425, 471, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 106 LEU  QQD   110 HIS  HD2     5.34             (#peak   696) #1.0
 &rst
  ixpk= 696, nxpk= 0, iat= 425, 479, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
# 106 LEU  QQD   111 LEU  H       4.93             (#peak   812)
 &rst
  ixpk= 812, nxpk= 0, iat= 425, 483, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 106 LEU  QQD   111 LEU  HA      3.94             (#peak   406)
 &rst
  ixpk= 406, nxpk= 0, iat= 425, 485, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 106 LEU  QQD   114 ALA  H       4.75             (#peak   716) #0.5
 &rst
  ixpk= 716, nxpk= 0, iat= 425, 533, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 106 LEU  QQD   114 ALA  QB      3.00             (#peak   746) #1.0
 &rst
  ixpk= 746, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 537, 538, 539,
 &end
#
# 107 CYSS H     107 CYSS QB      3.18             (#peak   584)
 &rst
  ixpk= 584, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 442, 443,
 &end
#
# 107 CYSS H     111 LEU  QQD     5.25             (#peak   580)
 &rst
  ixpk= 580, nxpk= 0, iat= 438, 489, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 107 CYSS HA    111 LEU  QB      4.72             (#peak   604)
 &rst
  ixpk= 604, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 487, 488,
 &end
#
# 107 CYSS HA    111 LEU  QQD     5.12             (#peak  1803)
 &rst
  ixpk= 1803, nxpk= 0, iat= 440, 489, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 107 CYSS QB    108 GLY  H       4.04             (#peak   641)
 &rst
  ixpk= 641, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 442, 443,
 &end
#
# 107 CYSS QB    110 HIS  HB2     4.98             (#peak   617)
 &rst
  ixpk= 617, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 442, 443,
 &end
#
# 108 GLY  H     111 LEU  QB      4.20             (#peak   643)
 &rst
  ixpk= 643, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 487, 488,
 &end
#
# 108 GLY  H     111 LEU  QQD     4.16             (#peak   644)
 &rst
  ixpk= 644, nxpk= 0, iat= 448, 489, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 108 GLY  QA    109 SER  H       2.80             (#peak   638)
 &rst
  ixpk= 638, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 450, 451,
 &end
#
# 108 GLY  QA    110 HIS  H       4.73             (#peak  1686)
 &rst
  ixpk= 1686, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 450, 451,
 &end
#
# 108 GLY  QA    111 LEU  H       5.26             (#peak  1450)
 &rst
  ixpk= 1450, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 450, 451,
 &end
#
# 109 SER  HA    112 VAL  QQG     3.51             (#peak  1961)
 &rst
  ixpk= 1961, nxpk= 0, iat= 457, 505, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 110 HIS  HA    113 GLU  QB      3.44             (#peak   680)
 &rst
  ixpk= 680, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 522, 523,
 &end
#
# 111 LEU  H     111 LEU  QQD     4.13             (#peak   800)
 &rst
  ixpk= 800, nxpk= 0, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 111 LEU  H     112 VAL  QQG     4.40             (#peak   809) #0.5
 &rst
  ixpk= 809, nxpk= 0, iat= 483, 505, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 111 LEU  HA    111 LEU  QQD     2.78             (#peak   837)
 &rst
  ixpk= 837, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 111 LEU  QB    111 LEU  QQD     2.55             (#peak   823)
 &rst
  ixpk= 823, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
 igr1= 487, 488,
 &end
#
# 111 LEU  QB    112 VAL  H       3.66             (#peak  1714)
 &rst
  ixpk= 1714, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 487, 488,
 &end
#
# 111 LEU  QB    112 VAL  HA      4.36             (#peak  1976)
 &rst
  ixpk= 1976, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 487, 488,
 &end
#
# 111 LEU  QB    114 ALA  H       5.34             (#peak  1765)
 &rst
  ixpk= 1765, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 487, 488,
 &end
#
# 111 LEU  QB    115 LEU  QQD     5.28             (#peak   907) #1.0
 &rst
  ixpk= 907, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 487, 488,
 &end
#
# 111 LEU  QQD   112 VAL  H       4.42             (#peak   773)
 &rst
  ixpk= 773, nxpk= 0, iat= 489, 502, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 111 LEU  QQD   112 VAL  HA      4.12             (#peak  1967) #2.0
 &rst
  ixpk= 1967, nxpk= 0, iat= 489, 504, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
# 111 LEU  QQD   114 ALA  H       5.44             (#peak  1887)
 &rst
  ixpk= 1887, nxpk= 0, iat= 489, 533, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 112 VAL  H     112 VAL  QQG     3.06             (#peak   770)
 &rst
  ixpk= 770, nxpk= 0, iat= 502, 505, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 112 VAL  H     115 LEU  QQD     5.44             (#peak  1203) #1.0
 &rst
  ixpk= 1203, nxpk= 0, iat= 502, 549, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
# 112 VAL  HA    115 LEU  QQD     3.41             (#peak  1971)
 &rst
  ixpk= 1971, nxpk= 0, iat= 504, 549, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 112 VAL  QQG   114 ALA  H       5.44             (#peak   728)
 &rst
  ixpk= 728, nxpk= 0, iat= 505, 533, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 112 VAL  QQG   116 TYR  H       4.14             (#peak   927) #0.5
 &rst
  ixpk= 927, nxpk= 0, iat= 505, 562, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 112 VAL  QQG   116 TYR  QB      4.01             (#peak   395)
 &rst
  ixpk= 395, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 566, 567,
 &end
#
# 112 VAL  QQG   116 TYR  QD      3.66             (#peak   973) #1.0
 &rst
  ixpk= 973, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 570, 579,
 &end
#
# 112 VAL  QQG   124 PHE  QE      3.71             (#peak  1403)
 &rst
  ixpk= 1403, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 691, 695,
 &end
#
# 113 GLU  H     113 GLU  QB      2.89             (#peak   843)
 &rst
  ixpk= 843, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 522, 523,
 &end
#
# 113 GLU  H     115 LEU  QQD     5.44             (#peak   857) #2.0
 &rst
  ixpk= 857, nxpk= 0, iat= 518, 549, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,  &end
#
# 113 GLU  HA    113 GLU  QG      3.43             (#peak   742)
 &rst
  ixpk= 742, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 525, 526,
 &end
#
# 113 GLU  QB    114 ALA  H       3.38             (#peak   723)
 &rst
  ixpk= 723, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 522, 523,
 &end
#
# 113 GLU  QG    114 ALA  H       4.89             (#peak   711)
 &rst
  ixpk= 711, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 525, 526,
 &end
#
# 113 GLU  QG    114 ALA  QB      5.34             (#peak   752)
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 525, 526,
 igr2= 537, 538, 539,
 &end
#
# 113 GLU  QG    116 TYR  QB      5.03             (#peak   956)
 &rst
  ixpk= 956, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 525, 526,
 igr2= 566, 567,
 &end
#
# 114 ALA  H     115 LEU  QQD     5.44             (#peak  1891) #0.5
 &rst
  ixpk= 1891, nxpk= 0, iat= 533, 549, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
# 114 ALA  HA    118 VAL  QQG     4.17             (#peak  1121) #1.0
 &rst
  ixpk= 1121, nxpk= 0, iat= 535, 605, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 114 ALA  QB    118 VAL  QQG     4.50             (#peak   748)
 &rst
  ixpk= 748, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 537, 538, 539,
 &end
#
# 115 LEU  H     115 LEU  QB      3.28             (#peak   871)
 &rst
  ixpk= 871, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 547, 548,
 &end
#
# 115 LEU  H     115 LEU  QQD     3.67             (#peak   883)
 &rst
  ixpk= 883, nxpk= 0, iat= 543, 549, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 115 LEU  H     118 VAL  QQG     4.87             (#peak  1705) #0.5
 &rst
  ixpk= 1705, nxpk= 0, iat= 543, 605, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 115 LEU  HA    115 LEU  QQD     3.48             (#peak   894)
 &rst
  ixpk= 894, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 115 LEU  HA    118 VAL  QQG     3.44             (#peak   892)
 &rst
  ixpk= 892, nxpk= 0, iat= 545, 605, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 115 LEU  QB    115 LEU  QQD     2.73             (#peak   379)
 &rst
  ixpk= 379, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr1= 547, 548,
 &end
#
# 115 LEU  QB    116 TYR  HA      5.34             (#peak  1843)
 &rst
  ixpk= 1843, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 547, 548,
 &end
#
# 115 LEU  QB    116 TYR  QB      5.34             (#peak    85)
 &rst
  ixpk= 85, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 547, 548,
 igr2= 566, 567,
 &end
#
# 115 LEU  QB    119 CYSS H       5.34             (#peak  1726)
 &rst
  ixpk= 1726, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 547, 548,
 &end
#
# 115 LEU  QB    124 PHE  QD      3.90             (#peak  1459)
 &rst
  ixpk= 1459, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 547, 548,
 igr2= 689, 697,
 &end
#
# 115 LEU  QB    124 PHE  QE      4.39             (#peak  1398)
 &rst
  ixpk= 1398, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 547, 548,
 igr2= 691, 695,
 &end
#
# 115 LEU  QQD   116 TYR  H       4.65             (#peak   937)
 &rst
  ixpk= 937, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 115 LEU  QQD   118 VAL  H       5.04             (#peak  1740) #1.0
 &rst
  ixpk= 1740, nxpk= 0, iat= 549, 602, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 115 LEU  QQD   119 CYSS H       4.48             (#peak   702) #1.0
 &rst
  ixpk= 702, nxpk= 0, iat= 549, 618, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 115 LEU  QQD   124 PHE  QB      3.76             (#peak   909)
 &rst
  ixpk= 909, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 685, 686,
 &end
#
# 115 LEU  QQD   124 PHE  QD      4.27             (#peak  1462)
 &rst
  ixpk= 1462, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 689, 697,
 &end
#
# 115 LEU  QQD   124 PHE  QE      4.46             (#peak  1405)
 &rst
  ixpk= 1405, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 691, 695,
 &end
#
# 115 LEU  QQD   125 PHE  H       5.44             (#peak   857) #2.0
 &rst
  ixpk= 857, nxpk= 0, iat= 549, 701, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,  &end
#
# 115 LEU  QQD   126 TYR  QD      5.44             (#peak  1535)
 &rst
  ixpk= 1535, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 729, 738,
 &end
#
# 116 TYR  H     118 VAL  QQG     5.30             (#peak  1744) #0.5
 &rst
  ixpk= 1744, nxpk= 0, iat= 562, 605, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 116 TYR  HA    119 CYSS QB      3.69             (#peak   624)
 &rst
  ixpk= 624, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 622, 623,
 &end
#
# 116 TYR  QE    121 GLU  QG      4.72             (#peak  1003)
 &rst
  ixpk= 1003, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 572, 577,
 igr2= 642, 643,
 &end
#
# 117 LEU  H     117 LEU  QQD     4.26             (#peak  1041)
 &rst
  ixpk= 1041, nxpk= 0, iat= 583, 589, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 117 LEU  H     118 VAL  QQG     4.37             (#peak  1748)
 &rst
  ixpk= 1748, nxpk= 0, iat= 583, 605, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 117 LEU  HA    117 LEU  QQD     3.54             (#peak   399)
 &rst
  ixpk= 399, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 117 LEU  HB3   117 LEU  QQD     2.72             (#peak  1857)
 &rst
  ixpk= 1857, nxpk= 0, iat= 588, 589, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 117 LEU  HG    118 VAL  QQG     4.85             (#peak  1110)
 &rst
  ixpk= 1110, nxpk= 0, iat= 590, 605, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 117 LEU  QQD   118 VAL  H       5.17             (#peak  1635)
 &rst
  ixpk= 1635, nxpk= 0, iat= 589, 602, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 118 VAL  H     118 VAL  QQG     3.13             (#peak  1084)
 &rst
  ixpk= 1084, nxpk= 0, iat= 602, 605, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 118 VAL  H     119 CYSS QB      4.92             (#peak  1066)
 &rst
  ixpk= 1066, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 622, 623,
 &end
#
# 118 VAL  QQG   119 CYSS H       3.68             (#peak  1138)
 &rst
  ixpk= 1138, nxpk= 0, iat= 605, 618, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 118 VAL  QQG   119 CYSS HA      4.28             (#peak  1127) #1.0
 &rst
  ixpk= 1127, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 118 VAL  QQG   119 CYSS QB      4.93             (#peak   616)
 &rst
  ixpk= 616, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 622, 623,
 &end
#
# 118 VAL  QQG   120 GLY  H       4.74             (#peak    30)
 &rst
  ixpk= 30, nxpk= 0, iat= 605, 628, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 119 CYSS H     119 CYSS QB      3.19             (#peak  1145)
 &rst
  ixpk= 1145, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 622, 623,
 &end
#
# 119 CYSS HA    122 ARG  QB      4.18             (#peak  1808)
 &rst
  ixpk= 1808, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 654, 655,
 &end
#
# 119 CYSS QB    120 GLY  H       3.31             (#peak  1523)
 &rst
  ixpk= 1523, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 622, 623,
 &end
#
# 119 CYSS QB    120 GLY  QA      4.48             (#peak   618)
 &rst
  ixpk= 618, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 622, 623,
 igr2= 630, 631,
 &end
#
# 119 CYSS QB    121 GLU  H       5.34             (#peak  1658)
 &rst
  ixpk= 1658, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 622, 623,
 &end
#
# 119 CYSS QB    122 ARG  H       4.34             (#peak  1357)
 &rst
  ixpk= 1357, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 622, 623,
 &end
#
# 119 CYSS QB    122 ARG  QB      3.53             (#peak  1155)
 &rst
  ixpk= 1155, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 622, 623,
 igr2= 654, 655,
 &end
#
# 119 CYSS QB    123 GLY  H       3.82             (#peak  1519)
 &rst
  ixpk= 1519, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 622, 623,
 &end
#
# 119 CYSS QB    123 GLY  HA2     4.24             (#peak  1301)
 &rst
  ixpk= 1301, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 622, 623,
 &end
#
# 119 CYSS QB    124 PHE  H       5.34             (#peak  1762)
 &rst
  ixpk= 1762, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 622, 623,
 &end
#
# 119 CYSS QB    124 PHE  QD      3.62             (#peak  1451)
 &rst
  ixpk= 1451, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 622, 623,
 igr2= 689, 697,
 &end
#
# 121 GLU  H     121 GLU  QB      3.08             (#peak  1477)
 &rst
  ixpk= 1477, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 639, 640,
 &end
#
# 121 GLU  H     121 GLU  QG      3.94             (#peak  1475)
 &rst
  ixpk= 1475, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 642, 643,
 &end
#
# 121 GLU  HA    121 GLU  QG      3.59             (#peak   242)
 &rst
  ixpk= 242, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 642, 643,
 &end
#
# 121 GLU  QB    122 ARG  H       3.93             (#peak  1368)
 &rst
  ixpk= 1368, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 639, 640,
 &end
#
# 122 ARG  H     122 ARG  QB      3.01             (#peak  1361)
 &rst
  ixpk= 1361, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 654, 655,
 &end
#
# 122 ARG  QB    122 ARG  QD      3.17             (#peak   553)
 &rst
  ixpk= 553, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 654, 655,
 igr2= 660, 661,
 &end
#
# 122 ARG  QB    123 GLY  H       3.74             (#peak  1433)
 &rst
  ixpk= 1433, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 654, 655,
 &end
#
# 124 PHE  H     124 PHE  QB      3.56             (#peak  1431)
 &rst
  ixpk= 1431, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 685, 686,
 &end
#
# 124 PHE  QB    125 PHE  H       3.46             (#peak  1489)
 &rst
  ixpk= 1489, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 685, 686,
 &end
#
# 124 PHE  QE    126 TYR  QB      5.26             (#peak  1469)
 &rst
  ixpk= 1469, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 691, 695,
 igr2= 725, 726,
 &end
#
# 125 PHE  H     125 PHE  QB      3.26             (#peak  1489)
 &rst
  ixpk= 1489, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 705, 706,
 &end
#
# 125 PHE  QB    126 TYR  H       4.08             (#peak  1522)
 &rst
  ixpk= 1522, nxpk= 0, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 705, 706,
 &end
#
# 125 PHE  QB    127 THR  H       4.71             (#peak  1550)
 &rst
  ixpk= 1550, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 705, 706,
 &end
#
# 126 TYR  H     126 TYR  QB      3.20             (#peak  1520)
 &rst
  ixpk= 1520, nxpk= 0, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 725, 726,
 &end
#
# 126 TYR  QB    127 THR  H       4.18             (#peak  1546)
 &rst
  ixpk= 1546, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 725, 726,
 &end
#
# 128 PRO  QB    129 LYS  HA      5.17             (#peak  1667)
 &rst
  ixpk= 1667, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 763, 764,
 &end
#
# 129 LYS  H     129 LYS  QB      3.58             (#peak  1653)
 &rst
  ixpk= 1653, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 774, 775,
 &end
#
# 131 ARG  H     131 ARG  QB      3.16             (#peak   469)
 &rst
  ixpk= 469, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 810, 811,
 &end
# 829 atoms read from pdb file StrIns_Amber.pdb.
# 2 ILE PHI:  (1 GLY C)-(2 ILE N)-(2 ILE CA)-(2 ILE C) -175.0  75.0
 &rst     iat =     8,    10,    12,    27,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	  rk2 =   2.0, rk3 =   2.0,				&end

# 2 ILE PSI:  (2 ILE N)-(2 ILE CA)-(2 ILE C)-(3 VAL N) -75.0 185.0
 &rst     iat =    10,    12,    27,    29,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 2 ILE PHI:  (1 GLY C)-(2 ILE N)-(2 ILE CA)-(2 ILE C) -255.0 -25.0
 &rst     iat =     8,    10,    12,    27,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 2 ILE PSI:  (2 ILE N)-(2 ILE CA)-(2 ILE C)-(3 VAL N)  25.0  55.0
 &rst     iat =    10,    12,    27,    29,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 2 ILE PHI:  (1 GLY C)-(2 ILE N)-(2 ILE CA)-(2 ILE C) -135.0  75.0
 &rst     iat =     8,    10,    12,    27,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 2 ILE PSI:  (2 ILE N)-(2 ILE CA)-(2 ILE C)-(3 VAL N) 105.0 185.0
 &rst     iat =    10,    12,    27,    29,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 3 VAL PHI:  (2 ILE C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -175.0  75.0
 &rst     iat =    27,    29,    31,    43,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 3 VAL PSI:  (3 VAL N)-(3 VAL CA)-(3 VAL C)-(4 GLU N) -75.0 185.0
 &rst     iat =    29,    31,    43,    45,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 3 VAL PHI:  (2 ILE C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -255.0 -25.0
 &rst     iat =    27,    29,    31,    43,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 3 VAL PSI:  (3 VAL N)-(3 VAL CA)-(3 VAL C)-(4 GLU N)  25.0  55.0
 &rst     iat =    29,    31,    43,    45,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 3 VAL PHI:  (2 ILE C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -135.0  75.0
 &rst     iat =    27,    29,    31,    43,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 3 VAL PSI:  (3 VAL N)-(3 VAL CA)-(3 VAL C)-(4 GLU N) 105.0 185.0
 &rst     iat =    29,    31,    43,    45,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 4 GLU PHI:  (3 VAL C)-(4 GLU N)-(4 GLU CA)-(4 GLU C) -175.0  75.0
 &rst     iat =    43,    45,    47,    58,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 4 GLU PSI:  (4 GLU N)-(4 GLU CA)-(4 GLU C)-(5 GLN N) -75.0 185.0
 &rst     iat =    45,    47,    58,    60,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 4 GLU PHI:  (3 VAL C)-(4 GLU N)-(4 GLU CA)-(4 GLU C) -255.0 -25.0
 &rst     iat =    43,    45,    47,    58,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 4 GLU PSI:  (4 GLU N)-(4 GLU CA)-(4 GLU C)-(5 GLN N)  25.0  55.0
 &rst     iat =    45,    47,    58,    60,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 4 GLU PHI:  (3 VAL C)-(4 GLU N)-(4 GLU CA)-(4 GLU C) -135.0  75.0
 &rst     iat =    43,    45,    47,    58,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 4 GLU PSI:  (4 GLU N)-(4 GLU CA)-(4 GLU C)-(5 GLN N) 105.0 185.0
 &rst     iat =    45,    47,    58,    60,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 5 GLN PHI:  (4 GLU C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -175.0  75.0
 &rst     iat =    58,    60,    62,    75,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 5 GLN PSI:  (5 GLN N)-(5 GLN CA)-(5 GLN C)-(6 CYX N) -75.0 185.0
 &rst     iat =    60,    62,    75,    77,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 5 GLN PHI:  (4 GLU C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -255.0 -25.0
 &rst     iat =    58,    60,    62,    75,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 5 GLN PSI:  (5 GLN N)-(5 GLN CA)-(5 GLN C)-(6 CYX N)  25.0  55.0
 &rst     iat =    60,    62,    75,    77,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 5 GLN PHI:  (4 GLU C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -135.0  75.0
 &rst     iat =    58,    60,    62,    75,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 5 GLN PSI:  (5 GLN N)-(5 GLN CA)-(5 GLN C)-(6 CYX N) 105.0 185.0
 &rst     iat =    60,    62,    75,    77,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 6 CYS PHI:  (5 GLN C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -175.0  75.0
 &rst     iat =    75,    77,    79,    85,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 CYX N) -75.0 185.0
 &rst     iat =    77,    79,    85,    87,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 6 CYS PHI:  (5 GLN C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -255.0 -25.0
 &rst     iat =    75,    77,    79,    85,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 CYX N)  25.0  55.0
 &rst     iat =    77,    79,    85,    87,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 6 CYS PHI:  (5 GLN C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -135.0  75.0
 &rst     iat =    75,    77,    79,    85,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 6 CYS PSI:  (6 CYX N)-(6 CYX CA)-(6 CYX C)-(7 CYX N) 105.0 185.0
 &rst     iat =    77,    79,    85,    87,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 7 CYS PHI:  (6 CYX C)-(7 CYX N)-(7 CYX CA)-(7 CYX C) -175.0  75.0
 &rst     iat =    85,    87,    89,    95,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 7 CYS PSI:  (7 CYX N)-(7 CYX CA)-(7 CYX C)-(8 THR N) -75.0 185.0
 &rst     iat =    87,    89,    95,    97,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 7 CYS PHI:  (6 CYX C)-(7 CYX N)-(7 CYX CA)-(7 CYX C) -255.0 -25.0
 &rst     iat =    85,    87,    89,    95,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 7 CYS PSI:  (7 CYX N)-(7 CYX CA)-(7 CYX C)-(8 THR N)  25.0  55.0
 &rst     iat =    87,    89,    95,    97,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 7 CYS PHI:  (6 CYX C)-(7 CYX N)-(7 CYX CA)-(7 CYX C) -135.0  75.0
 &rst     iat =    85,    87,    89,    95,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 7 CYS PSI:  (7 CYX N)-(7 CYX CA)-(7 CYX C)-(8 THR N) 105.0 185.0
 &rst     iat =    87,    89,    95,    97,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 8 THR PHI:  (7 CYX C)-(8 THR N)-(8 THR CA)-(8 THR C) -175.0  75.0
 &rst     iat =    95,    97,    99,   109,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 8 THR PSI:  (8 THR N)-(8 THR CA)-(8 THR C)-(9 SER N) -75.0 185.0
 &rst     iat =    97,    99,   109,   111,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 8 THR PHI:  (7 CYX C)-(8 THR N)-(8 THR CA)-(8 THR C) -255.0 -25.0
 &rst     iat =    95,    97,    99,   109,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 8 THR PSI:  (8 THR N)-(8 THR CA)-(8 THR C)-(9 SER N)  25.0  55.0
 &rst     iat =    97,    99,   109,   111,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 8 THR PHI:  (7 CYX C)-(8 THR N)-(8 THR CA)-(8 THR C) -135.0  75.0
 &rst     iat =    95,    97,    99,   109,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 8 THR PSI:  (8 THR N)-(8 THR CA)-(8 THR C)-(9 SER N) 105.0 185.0
 &rst     iat =    97,    99,   109,   111,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 9 SER PHI:  (8 THR C)-(9 SER N)-(9 SER CA)-(9 SER C) -175.0  75.0
 &rst     iat =   109,   111,   113,   120,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 9 SER PSI:  (9 SER N)-(9 SER CA)-(9 SER C)-(10 ILE N) -75.0 185.0
 &rst     iat =   111,   113,   120,   122,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 9 SER PHI:  (8 THR C)-(9 SER N)-(9 SER CA)-(9 SER C) -255.0 -25.0
 &rst     iat =   109,   111,   113,   120,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 9 SER PSI:  (9 SER N)-(9 SER CA)-(9 SER C)-(10 ILE N)  25.0  55.0
 &rst     iat =   111,   113,   120,   122,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 9 SER PHI:  (8 THR C)-(9 SER N)-(9 SER CA)-(9 SER C) -135.0  75.0
 &rst     iat =   109,   111,   113,   120,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 9 SER PSI:  (9 SER N)-(9 SER CA)-(9 SER C)-(10 ILE N) 105.0 185.0
 &rst     iat =   111,   113,   120,   122,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 10 ILE PHI:  (9 SER C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -175.0  75.0
 &rst     iat =   120,   122,   124,   139,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 10 ILE PSI:  (10 ILE N)-(10 ILE CA)-(10 ILE C)-(11 CYX N) -75.0 185.0
 &rst     iat =   122,   124,   139,   141,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 10 ILE PHI:  (9 SER C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -255.0 -25.0
 &rst     iat =   120,   122,   124,   139,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 10 ILE PSI:  (10 ILE N)-(10 ILE CA)-(10 ILE C)-(11 CYX N)  25.0  55.0
 &rst     iat =   122,   124,   139,   141,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 10 ILE PHI:  (9 SER C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -135.0  75.0
 &rst     iat =   120,   122,   124,   139,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 10 ILE PSI:  (10 ILE N)-(10 ILE CA)-(10 ILE C)-(11 CYX N) 105.0 185.0
 &rst     iat =   122,   124,   139,   141,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 11 CYS PHI:  (10 ILE C)-(11 CYX N)-(11 CYX CA)-(11 CYX C) -175.0  75.0
 &rst     iat =   139,   141,   143,   149,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 11 CYS PSI:  (11 CYX N)-(11 CYX CA)-(11 CYX C)-(12 SER N) -75.0 185.0
 &rst     iat =   141,   143,   149,   151,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 11 CYS PHI:  (10 ILE C)-(11 CYX N)-(11 CYX CA)-(11 CYX C) -255.0 -25.0
 &rst     iat =   139,   141,   143,   149,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 11 CYS PSI:  (11 CYX N)-(11 CYX CA)-(11 CYX C)-(12 SER N)  25.0  55.0
 &rst     iat =   141,   143,   149,   151,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 11 CYS PHI:  (10 ILE C)-(11 CYX N)-(11 CYX CA)-(11 CYX C) -135.0  75.0
 &rst     iat =   139,   141,   143,   149,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 11 CYS PSI:  (11 CYX N)-(11 CYX CA)-(11 CYX C)-(12 SER N) 105.0 185.0
 &rst     iat =   141,   143,   149,   151,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 12 SER PHI:  (11 CYX C)-(12 SER N)-(12 SER CA)-(12 SER C) -175.0  75.0
 &rst     iat =   149,   151,   153,   160,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 12 SER PSI:  (12 SER N)-(12 SER CA)-(12 SER C)-(13 LEU N) -75.0 185.0
 &rst     iat =   151,   153,   160,   162,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 12 SER PHI:  (11 CYX C)-(12 SER N)-(12 SER CA)-(12 SER C) -255.0 -25.0
 &rst     iat =   149,   151,   153,   160,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 12 SER PSI:  (12 SER N)-(12 SER CA)-(12 SER C)-(13 LEU N)  25.0  55.0
 &rst     iat =   151,   153,   160,   162,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 12 SER PHI:  (11 CYX C)-(12 SER N)-(12 SER CA)-(12 SER C) -135.0  75.0
 &rst     iat =   149,   151,   153,   160,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 12 SER PSI:  (12 SER N)-(12 SER CA)-(12 SER C)-(13 LEU N) 105.0 185.0
 &rst     iat =   151,   153,   160,   162,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 13 LEU PHI:  (12 SER C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -175.0  75.0
 &rst     iat =   160,   162,   164,   179,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 TYR N) -75.0 185.0
 &rst     iat =   162,   164,   179,   181,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 13 LEU PHI:  (12 SER C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -255.0 -25.0
 &rst     iat =   160,   162,   164,   179,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 TYR N)  25.0  55.0
 &rst     iat =   162,   164,   179,   181,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 13 LEU PHI:  (12 SER C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -135.0  75.0
 &rst     iat =   160,   162,   164,   179,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 TYR N) 105.0 185.0
 &rst     iat =   162,   164,   179,   181,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 14 TYR PHI:  (13 LEU C)-(14 TYR N)-(14 TYR CA)-(14 TYR C) -175.0  75.0
 &rst     iat =   179,   181,   183,   200,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 14 TYR PSI:  (14 TYR N)-(14 TYR CA)-(14 TYR C)-(15 GLN N) -75.0 185.0
 &rst     iat =   181,   183,   200,   202,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 14 TYR PHI:  (13 LEU C)-(14 TYR N)-(14 TYR CA)-(14 TYR C) -255.0 -25.0
 &rst     iat =   179,   181,   183,   200,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 14 TYR PSI:  (14 TYR N)-(14 TYR CA)-(14 TYR C)-(15 GLN N)  25.0  55.0
 &rst     iat =   181,   183,   200,   202,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 14 TYR PHI:  (13 LEU C)-(14 TYR N)-(14 TYR CA)-(14 TYR C) -135.0  75.0
 &rst     iat =   179,   181,   183,   200,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 14 TYR PSI:  (14 TYR N)-(14 TYR CA)-(14 TYR C)-(15 GLN N) 105.0 185.0
 &rst     iat =   181,   183,   200,   202,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 15 GLN PHI:  (14 TYR C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -175.0  75.0
 &rst     iat =   200,   202,   204,   217,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 15 GLN PSI:  (15 GLN N)-(15 GLN CA)-(15 GLN C)-(16 LEU N) -75.0 185.0
 &rst     iat =   202,   204,   217,   219,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 15 GLN PHI:  (14 TYR C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -255.0 -25.0
 &rst     iat =   200,   202,   204,   217,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 15 GLN PSI:  (15 GLN N)-(15 GLN CA)-(15 GLN C)-(16 LEU N)  25.0  55.0
 &rst     iat =   202,   204,   217,   219,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 15 GLN PHI:  (14 TYR C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -135.0  75.0
 &rst     iat =   200,   202,   204,   217,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 15 GLN PSI:  (15 GLN N)-(15 GLN CA)-(15 GLN C)-(16 LEU N) 105.0 185.0
 &rst     iat =   202,   204,   217,   219,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 16 LEU PHI:  (15 GLN C)-(16 LEU N)-(16 LEU CA)-(16 LEU C) -175.0  75.0
 &rst     iat =   217,   219,   221,   236,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 GLU N) -75.0 185.0
 &rst     iat =   219,   221,   236,   238,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 16 LEU PHI:  (15 GLN C)-(16 LEU N)-(16 LEU CA)-(16 LEU C) -255.0 -25.0
 &rst     iat =   217,   219,   221,   236,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 GLU N)  25.0  55.0
 &rst     iat =   219,   221,   236,   238,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 16 LEU PHI:  (15 GLN C)-(16 LEU N)-(16 LEU CA)-(16 LEU C) -135.0  75.0
 &rst     iat =   217,   219,   221,   236,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 GLU N) 105.0 185.0
 &rst     iat =   219,   221,   236,   238,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 17 GLU PHI:  (16 LEU C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -175.0  75.0
 &rst     iat =   236,   238,   240,   251,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 17 GLU PSI:  (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 ASN N) -75.0 185.0
 &rst     iat =   238,   240,   251,   253,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 17 GLU PHI:  (16 LEU C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -255.0 -25.0
 &rst     iat =   236,   238,   240,   251,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 17 GLU PSI:  (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 ASN N)  25.0  55.0
 &rst     iat =   238,   240,   251,   253,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 17 GLU PHI:  (16 LEU C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -135.0  75.0
 &rst     iat =   236,   238,   240,   251,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 17 GLU PSI:  (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 ASN N) 105.0 185.0
 &rst     iat =   238,   240,   251,   253,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 18 ASN PHI:  (17 GLU C)-(18 ASN N)-(18 ASN CA)-(18 ASN C) -175.0  75.0
 &rst     iat =   251,   253,   255,   265,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 18 ASN PSI:  (18 ASN N)-(18 ASN CA)-(18 ASN C)-(19 TYR N) -75.0 185.0
 &rst     iat =   253,   255,   265,   267,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 18 ASN PHI:  (17 GLU C)-(18 ASN N)-(18 ASN CA)-(18 ASN C) -255.0 -25.0
 &rst     iat =   251,   253,   255,   265,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 18 ASN PSI:  (18 ASN N)-(18 ASN CA)-(18 ASN C)-(19 TYR N)  25.0  55.0
 &rst     iat =   253,   255,   265,   267,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 18 ASN PHI:  (17 GLU C)-(18 ASN N)-(18 ASN CA)-(18 ASN C) -135.0  75.0
 &rst     iat =   251,   253,   255,   265,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 18 ASN PSI:  (18 ASN N)-(18 ASN CA)-(18 ASN C)-(19 TYR N) 105.0 185.0
 &rst     iat =   253,   255,   265,   267,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 19 TYR PHI:  (18 ASN C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -175.0  75.0
 &rst     iat =   265,   267,   269,   286,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 CYX N) -75.0 185.0
 &rst     iat =   267,   269,   286,   288,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 19 TYR PHI:  (18 ASN C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -255.0 -25.0
 &rst     iat =   265,   267,   269,   286,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 CYX N)  25.0  55.0
 &rst     iat =   267,   269,   286,   288,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 19 TYR PHI:  (18 ASN C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -135.0  75.0
 &rst     iat =   265,   267,   269,   286,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 CYX N) 105.0 185.0
 &rst     iat =   267,   269,   286,   288,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 20 CYS PHI:  (19 TYR C)-(20 CYX N)-(20 CYX CA)-(20 CYX C) -175.0  75.0
 &rst     iat =   286,   288,   290,   296,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 20 CYS PSI:  (20 CYX N)-(20 CYX CA)-(20 CYX C)-(21 ASN N) -75.0 185.0
 &rst     iat =   288,   290,   296,   298,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 20 CYS PHI:  (19 TYR C)-(20 CYX N)-(20 CYX CA)-(20 CYX C) -255.0 -25.0
 &rst     iat =   286,   288,   290,   296,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 20 CYS PSI:  (20 CYX N)-(20 CYX CA)-(20 CYX C)-(21 ASN N)  25.0  55.0
 &rst     iat =   288,   290,   296,   298,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 20 CYS PHI:  (19 TYR C)-(20 CYX N)-(20 CYX CA)-(20 CYX C) -135.0  75.0
 &rst     iat =   286,   288,   290,   296,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 20 CYS PSI:  (20 CYX N)-(20 CYX CA)-(20 CYX C)-(21 ASN N) 105.0 185.0
 &rst     iat =   288,   290,   296,   298,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 21 ASN PHI:  (20 CYX C)-(21 ASN N)-(21 ASN CA)-(21 ASN C) -175.0  75.0
 &rst     iat =   296,   298,   300,   310,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 21 ASN PSI:  (21 ASN N)-(21 ASN CA)-(21 ASN C)-(22 SER N) -75.0 185.0
 &rst     iat =   298,   300,   310,   312,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 21 ASN PHI:  (20 CYX C)-(21 ASN N)-(21 ASN CA)-(21 ASN C) -255.0 -25.0
 &rst     iat =   296,   298,   300,   310,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 21 ASN PSI:  (21 ASN N)-(21 ASN CA)-(21 ASN C)-(22 SER N)  25.0  55.0
 &rst     iat =   298,   300,   310,   312,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 21 ASN PHI:  (20 CYX C)-(21 ASN N)-(21 ASN CA)-(21 ASN C) -135.0  75.0
 &rst     iat =   296,   298,   300,   310,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 21 ASN PSI:  (21 ASN N)-(21 ASN CA)-(21 ASN C)-(22 SER N) 105.0 185.0
 &rst     iat =   298,   300,   310,   312,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 101 PHE PSI:  (101 PHE N)-(101 PHE CA)-(101 PHE C)-(102 VAL N) -75.0 185.0
 &rst     iat =   324,   328,   344,   346,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 101 PHE PSI:  (101 PHE N)-(101 PHE CA)-(101 PHE C)-(102 VAL N)  25.0  55.0
 &rst     iat =   324,   328,   344,   346,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 101 PHE PSI:  (101 PHE N)-(101 PHE CA)-(101 PHE C)-(102 VAL N) 105.0 185.0
 &rst     iat =   324,   328,   344,   346,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 102 VAL PHI:  (101 PHE C)-(102 VAL N)-(102 VAL CA)-(102 VAL C) -175.0  75.0
 &rst     iat =   344,   346,   348,   360,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 102 VAL PSI:  (102 VAL N)-(102 VAL CA)-(102 VAL C)-(103 LYS N) -75.0 185.0
 &rst     iat =   346,   348,   360,   362,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 102 VAL PHI:  (101 PHE C)-(102 VAL N)-(102 VAL CA)-(102 VAL C) -255.0 -25.0
 &rst     iat =   344,   346,   348,   360,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 102 VAL PSI:  (102 VAL N)-(102 VAL CA)-(102 VAL C)-(103 LYS N)  25.0  55.0
 &rst     iat =   346,   348,   360,   362,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 102 VAL PHI:  (101 PHE C)-(102 VAL N)-(102 VAL CA)-(102 VAL C) -135.0  75.0
 &rst     iat =   344,   346,   348,   360,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 102 VAL PSI:  (102 VAL N)-(102 VAL CA)-(102 VAL C)-(103 LYS N) 105.0 185.0
 &rst     iat =   346,   348,   360,   362,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 103 LYS PHI:  (102 VAL C)-(103 LYS N)-(103 LYS CA)-(103 LYS C) -175.0  75.0
 &rst     iat =   360,   362,   364,   382,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 103 LYS PSI:  (103 LYS N)-(103 LYS CA)-(103 LYS C)-(104 GLN N) -75.0 185.0
 &rst     iat =   362,   364,   382,   384,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 103 LYS PHI:  (102 VAL C)-(103 LYS N)-(103 LYS CA)-(103 LYS C) -255.0 -25.0
 &rst     iat =   360,   362,   364,   382,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 103 LYS PSI:  (103 LYS N)-(103 LYS CA)-(103 LYS C)-(104 GLN N)  25.0  55.0
 &rst     iat =   362,   364,   382,   384,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 103 LYS PHI:  (102 VAL C)-(103 LYS N)-(103 LYS CA)-(103 LYS C) -135.0  75.0
 &rst     iat =   360,   362,   364,   382,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 103 LYS PSI:  (103 LYS N)-(103 LYS CA)-(103 LYS C)-(104 GLN N) 105.0 185.0
 &rst     iat =   362,   364,   382,   384,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 104 GLN PHI:  (103 LYS C)-(104 GLN N)-(104 GLN CA)-(104 GLN C) -175.0  75.0
 &rst     iat =   382,   384,   386,   399,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 104 GLN PSI:  (104 GLN N)-(104 GLN CA)-(104 GLN C)-(105 HID N) -75.0 185.0
 &rst     iat =   384,   386,   399,   401,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 104 GLN PHI:  (103 LYS C)-(104 GLN N)-(104 GLN CA)-(104 GLN C) -255.0 -25.0
 &rst     iat =   382,   384,   386,   399,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 104 GLN PSI:  (104 GLN N)-(104 GLN CA)-(104 GLN C)-(105 HID N)  25.0  55.0
 &rst     iat =   384,   386,   399,   401,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 104 GLN PHI:  (103 LYS C)-(104 GLN N)-(104 GLN CA)-(104 GLN C) -135.0  75.0
 &rst     iat =   382,   384,   386,   399,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 104 GLN PSI:  (104 GLN N)-(104 GLN CA)-(104 GLN C)-(105 HID N) 105.0 185.0
 &rst     iat =   384,   386,   399,   401,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 105 HIS PHI:  (104 GLN C)-(105 HID N)-(105 HID CA)-(105 HID C) -175.0  75.0
 &rst     iat =   399,   401,   403,   416,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 105 HIS PSI:  (105 HID N)-(105 HID CA)-(105 HID C)-(106 LEU N) -75.0 185.0
 &rst     iat =   401,   403,   416,   418,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 105 HIS PHI:  (104 GLN C)-(105 HID N)-(105 HID CA)-(105 HID C) -255.0 -25.0
 &rst     iat =   399,   401,   403,   416,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 105 HIS PSI:  (105 HID N)-(105 HID CA)-(105 HID C)-(106 LEU N)  25.0  55.0
 &rst     iat =   401,   403,   416,   418,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 105 HIS PHI:  (104 GLN C)-(105 HID N)-(105 HID CA)-(105 HID C) -135.0  75.0
 &rst     iat =   399,   401,   403,   416,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 105 HIS PSI:  (105 HID N)-(105 HID CA)-(105 HID C)-(106 LEU N) 105.0 185.0
 &rst     iat =   401,   403,   416,   418,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 106 LEU PHI:  (105 HID C)-(106 LEU N)-(106 LEU CA)-(106 LEU C) -175.0  75.0
 &rst     iat =   416,   418,   420,   435,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 106 LEU PSI:  (106 LEU N)-(106 LEU CA)-(106 LEU C)-(107 CYX N) -75.0 185.0
 &rst     iat =   418,   420,   435,   437,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 106 LEU PHI:  (105 HID C)-(106 LEU N)-(106 LEU CA)-(106 LEU C) -255.0 -25.0
 &rst     iat =   416,   418,   420,   435,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 106 LEU PSI:  (106 LEU N)-(106 LEU CA)-(106 LEU C)-(107 CYX N)  25.0  55.0
 &rst     iat =   418,   420,   435,   437,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 106 LEU PHI:  (105 HID C)-(106 LEU N)-(106 LEU CA)-(106 LEU C) -135.0  75.0
 &rst     iat =   416,   418,   420,   435,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 106 LEU PSI:  (106 LEU N)-(106 LEU CA)-(106 LEU C)-(107 CYX N) 105.0 185.0
 &rst     iat =   418,   420,   435,   437,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 107 CYS PHI:  (106 LEU C)-(107 CYX N)-(107 CYX CA)-(107 CYX C) -175.0  75.0
 &rst     iat =   435,   437,   439,   445,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 107 CYS PSI:  (107 CYX N)-(107 CYX CA)-(107 CYX C)-(108 GLY N) -75.0 185.0
 &rst     iat =   437,   439,   445,   447,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 107 CYS PHI:  (106 LEU C)-(107 CYX N)-(107 CYX CA)-(107 CYX C) -255.0 -25.0
 &rst     iat =   435,   437,   439,   445,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 107 CYS PSI:  (107 CYX N)-(107 CYX CA)-(107 CYX C)-(108 GLY N)  25.0  55.0
 &rst     iat =   437,   439,   445,   447,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 107 CYS PHI:  (106 LEU C)-(107 CYX N)-(107 CYX CA)-(107 CYX C) -135.0  75.0
 &rst     iat =   435,   437,   439,   445,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 107 CYS PSI:  (107 CYX N)-(107 CYX CA)-(107 CYX C)-(108 GLY N) 105.0 185.0
 &rst     iat =   437,   439,   445,   447,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 109 SER PHI:  (108 GLY C)-(109 SER N)-(109 SER CA)-(109 SER C) -175.0  75.0
 &rst     iat =   452,   454,   456,   463,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 109 SER PSI:  (109 SER N)-(109 SER CA)-(109 SER C)-(110 HID N) -75.0 185.0
 &rst     iat =   454,   456,   463,   465,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 109 SER PHI:  (108 GLY C)-(109 SER N)-(109 SER CA)-(109 SER C) -255.0 -25.0
 &rst     iat =   452,   454,   456,   463,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 109 SER PSI:  (109 SER N)-(109 SER CA)-(109 SER C)-(110 HID N)  25.0  55.0
 &rst     iat =   454,   456,   463,   465,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 109 SER PHI:  (108 GLY C)-(109 SER N)-(109 SER CA)-(109 SER C) -135.0  75.0
 &rst     iat =   452,   454,   456,   463,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 109 SER PSI:  (109 SER N)-(109 SER CA)-(109 SER C)-(110 HID N) 105.0 185.0
 &rst     iat =   454,   456,   463,   465,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 110 HIS PHI:  (109 SER C)-(110 HID N)-(110 HID CA)-(110 HID C) -175.0  75.0
 &rst     iat =   463,   465,   467,   480,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 110 HIS PSI:  (110 HID N)-(110 HID CA)-(110 HID C)-(111 LEU N) -75.0 185.0
 &rst     iat =   465,   467,   480,   482,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 110 HIS PHI:  (109 SER C)-(110 HID N)-(110 HID CA)-(110 HID C) -255.0 -25.0
 &rst     iat =   463,   465,   467,   480,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 110 HIS PSI:  (110 HID N)-(110 HID CA)-(110 HID C)-(111 LEU N)  25.0  55.0
 &rst     iat =   465,   467,   480,   482,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 110 HIS PHI:  (109 SER C)-(110 HID N)-(110 HID CA)-(110 HID C) -135.0  75.0
 &rst     iat =   463,   465,   467,   480,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 110 HIS PSI:  (110 HID N)-(110 HID CA)-(110 HID C)-(111 LEU N) 105.0 185.0
 &rst     iat =   465,   467,   480,   482,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 111 LEU PHI:  (110 HID C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -175.0  75.0
 &rst     iat =   480,   482,   484,   499,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 111 LEU PSI:  (111 LEU N)-(111 LEU CA)-(111 LEU C)-(112 VAL N) -75.0 185.0
 &rst     iat =   482,   484,   499,   501,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 111 LEU PHI:  (110 HID C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -255.0 -25.0
 &rst     iat =   480,   482,   484,   499,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 111 LEU PSI:  (111 LEU N)-(111 LEU CA)-(111 LEU C)-(112 VAL N)  25.0  55.0
 &rst     iat =   482,   484,   499,   501,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 111 LEU PHI:  (110 HID C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -135.0  75.0
 &rst     iat =   480,   482,   484,   499,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 111 LEU PSI:  (111 LEU N)-(111 LEU CA)-(111 LEU C)-(112 VAL N) 105.0 185.0
 &rst     iat =   482,   484,   499,   501,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 112 VAL PHI:  (111 LEU C)-(112 VAL N)-(112 VAL CA)-(112 VAL C) -175.0  75.0
 &rst     iat =   499,   501,   503,   515,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 112 VAL PSI:  (112 VAL N)-(112 VAL CA)-(112 VAL C)-(113 GLU N) -75.0 185.0
 &rst     iat =   501,   503,   515,   517,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 112 VAL PHI:  (111 LEU C)-(112 VAL N)-(112 VAL CA)-(112 VAL C) -255.0 -25.0
 &rst     iat =   499,   501,   503,   515,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 112 VAL PSI:  (112 VAL N)-(112 VAL CA)-(112 VAL C)-(113 GLU N)  25.0  55.0
 &rst     iat =   501,   503,   515,   517,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 112 VAL PHI:  (111 LEU C)-(112 VAL N)-(112 VAL CA)-(112 VAL C) -135.0  75.0
 &rst     iat =   499,   501,   503,   515,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 112 VAL PSI:  (112 VAL N)-(112 VAL CA)-(112 VAL C)-(113 GLU N) 105.0 185.0
 &rst     iat =   501,   503,   515,   517,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 113 GLU PHI:  (112 VAL C)-(113 GLU N)-(113 GLU CA)-(113 GLU C) -175.0  75.0
 &rst     iat =   515,   517,   519,   530,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 113 GLU PSI:  (113 GLU N)-(113 GLU CA)-(113 GLU C)-(114 ALA N) -75.0 185.0
 &rst     iat =   517,   519,   530,   532,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 113 GLU PHI:  (112 VAL C)-(113 GLU N)-(113 GLU CA)-(113 GLU C) -255.0 -25.0
 &rst     iat =   515,   517,   519,   530,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 113 GLU PSI:  (113 GLU N)-(113 GLU CA)-(113 GLU C)-(114 ALA N)  25.0  55.0
 &rst     iat =   517,   519,   530,   532,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 113 GLU PHI:  (112 VAL C)-(113 GLU N)-(113 GLU CA)-(113 GLU C) -135.0  75.0
 &rst     iat =   515,   517,   519,   530,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 113 GLU PSI:  (113 GLU N)-(113 GLU CA)-(113 GLU C)-(114 ALA N) 105.0 185.0
 &rst     iat =   517,   519,   530,   532,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 114 ALA PHI:  (113 GLU C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -175.0  75.0
 &rst     iat =   530,   532,   534,   540,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 114 ALA PSI:  (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 LEU N) -75.0 185.0
 &rst     iat =   532,   534,   540,   542,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 114 ALA PHI:  (113 GLU C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -255.0 -25.0
 &rst     iat =   530,   532,   534,   540,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 114 ALA PSI:  (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 LEU N)  25.0  55.0
 &rst     iat =   532,   534,   540,   542,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 114 ALA PHI:  (113 GLU C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -135.0  75.0
 &rst     iat =   530,   532,   534,   540,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 114 ALA PSI:  (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 LEU N) 105.0 185.0
 &rst     iat =   532,   534,   540,   542,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 115 LEU PHI:  (114 ALA C)-(115 LEU N)-(115 LEU CA)-(115 LEU C) -175.0  75.0
 &rst     iat =   540,   542,   544,   559,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 115 LEU PSI:  (115 LEU N)-(115 LEU CA)-(115 LEU C)-(116 TYR N) -75.0 185.0
 &rst     iat =   542,   544,   559,   561,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 115 LEU PHI:  (114 ALA C)-(115 LEU N)-(115 LEU CA)-(115 LEU C) -255.0 -25.0
 &rst     iat =   540,   542,   544,   559,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 115 LEU PSI:  (115 LEU N)-(115 LEU CA)-(115 LEU C)-(116 TYR N)  25.0  55.0
 &rst     iat =   542,   544,   559,   561,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 115 LEU PHI:  (114 ALA C)-(115 LEU N)-(115 LEU CA)-(115 LEU C) -135.0  75.0
 &rst     iat =   540,   542,   544,   559,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 115 LEU PSI:  (115 LEU N)-(115 LEU CA)-(115 LEU C)-(116 TYR N) 105.0 185.0
 &rst     iat =   542,   544,   559,   561,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 116 TYR PHI:  (115 LEU C)-(116 TYR N)-(116 TYR CA)-(116 TYR C) -175.0  75.0
 &rst     iat =   559,   561,   563,   580,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 116 TYR PSI:  (116 TYR N)-(116 TYR CA)-(116 TYR C)-(117 LEU N) -75.0 185.0
 &rst     iat =   561,   563,   580,   582,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 116 TYR PHI:  (115 LEU C)-(116 TYR N)-(116 TYR CA)-(116 TYR C) -255.0 -25.0
 &rst     iat =   559,   561,   563,   580,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 116 TYR PSI:  (116 TYR N)-(116 TYR CA)-(116 TYR C)-(117 LEU N)  25.0  55.0
 &rst     iat =   561,   563,   580,   582,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 116 TYR PHI:  (115 LEU C)-(116 TYR N)-(116 TYR CA)-(116 TYR C) -135.0  75.0
 &rst     iat =   559,   561,   563,   580,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 116 TYR PSI:  (116 TYR N)-(116 TYR CA)-(116 TYR C)-(117 LEU N) 105.0 185.0
 &rst     iat =   561,   563,   580,   582,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 117 LEU PHI:  (116 TYR C)-(117 LEU N)-(117 LEU CA)-(117 LEU C) -175.0  75.0
 &rst     iat =   580,   582,   584,   599,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 117 LEU PSI:  (117 LEU N)-(117 LEU CA)-(117 LEU C)-(118 VAL N) -75.0 185.0
 &rst     iat =   582,   584,   599,   601,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 117 LEU PHI:  (116 TYR C)-(117 LEU N)-(117 LEU CA)-(117 LEU C) -255.0 -25.0
 &rst     iat =   580,   582,   584,   599,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 117 LEU PSI:  (117 LEU N)-(117 LEU CA)-(117 LEU C)-(118 VAL N)  25.0  55.0
 &rst     iat =   582,   584,   599,   601,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 117 LEU PHI:  (116 TYR C)-(117 LEU N)-(117 LEU CA)-(117 LEU C) -135.0  75.0
 &rst     iat =   580,   582,   584,   599,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 117 LEU PSI:  (117 LEU N)-(117 LEU CA)-(117 LEU C)-(118 VAL N) 105.0 185.0
 &rst     iat =   582,   584,   599,   601,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 118 VAL PHI:  (117 LEU C)-(118 VAL N)-(118 VAL CA)-(118 VAL C) -175.0  75.0
 &rst     iat =   599,   601,   603,   615,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 118 VAL PSI:  (118 VAL N)-(118 VAL CA)-(118 VAL C)-(119 CYX N) -75.0 185.0
 &rst     iat =   601,   603,   615,   617,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 118 VAL PHI:  (117 LEU C)-(118 VAL N)-(118 VAL CA)-(118 VAL C) -255.0 -25.0
 &rst     iat =   599,   601,   603,   615,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 118 VAL PSI:  (118 VAL N)-(118 VAL CA)-(118 VAL C)-(119 CYX N)  25.0  55.0
 &rst     iat =   601,   603,   615,   617,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 118 VAL PHI:  (117 LEU C)-(118 VAL N)-(118 VAL CA)-(118 VAL C) -135.0  75.0
 &rst     iat =   599,   601,   603,   615,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 118 VAL PSI:  (118 VAL N)-(118 VAL CA)-(118 VAL C)-(119 CYX N) 105.0 185.0
 &rst     iat =   601,   603,   615,   617,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 119 CYS PHI:  (118 VAL C)-(119 CYX N)-(119 CYX CA)-(119 CYX C) -175.0  75.0
 &rst     iat =   615,   617,   619,   625,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 119 CYS PSI:  (119 CYX N)-(119 CYX CA)-(119 CYX C)-(120 GLY N) -75.0 185.0
 &rst     iat =   617,   619,   625,   627,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 119 CYS PHI:  (118 VAL C)-(119 CYX N)-(119 CYX CA)-(119 CYX C) -255.0 -25.0
 &rst     iat =   615,   617,   619,   625,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 119 CYS PSI:  (119 CYX N)-(119 CYX CA)-(119 CYX C)-(120 GLY N)  25.0  55.0
 &rst     iat =   617,   619,   625,   627,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 119 CYS PHI:  (118 VAL C)-(119 CYX N)-(119 CYX CA)-(119 CYX C) -135.0  75.0
 &rst     iat =   615,   617,   619,   625,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 119 CYS PSI:  (119 CYX N)-(119 CYX CA)-(119 CYX C)-(120 GLY N) 105.0 185.0
 &rst     iat =   617,   619,   625,   627,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 121 GLU PHI:  (120 GLY C)-(121 GLU N)-(121 GLU CA)-(121 GLU C) -175.0  75.0
 &rst     iat =   632,   634,   636,   647,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 121 GLU PSI:  (121 GLU N)-(121 GLU CA)-(121 GLU C)-(122 ARG N) -75.0 185.0
 &rst     iat =   634,   636,   647,   649,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 121 GLU PHI:  (120 GLY C)-(121 GLU N)-(121 GLU CA)-(121 GLU C) -255.0 -25.0
 &rst     iat =   632,   634,   636,   647,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 121 GLU PSI:  (121 GLU N)-(121 GLU CA)-(121 GLU C)-(122 ARG N)  25.0  55.0
 &rst     iat =   634,   636,   647,   649,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 121 GLU PHI:  (120 GLY C)-(121 GLU N)-(121 GLU CA)-(121 GLU C) -135.0  75.0
 &rst     iat =   632,   634,   636,   647,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 121 GLU PSI:  (121 GLU N)-(121 GLU CA)-(121 GLU C)-(122 ARG N) 105.0 185.0
 &rst     iat =   634,   636,   647,   649,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -175.0  75.0
 &rst     iat =   647,   649,   651,   671,
	  r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
	&end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 GLY N) -75.0 185.0
 &rst     iat =   649,   651,   671,   673,
	  r1 = -76.0, r2 = -75.0, r3 = 185.0, r4 = 186.0,
	&end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -255.0 -25.0
 &rst     iat =   647,   649,   651,   671,
	  r1 = -256.0, r2 = -255.0, r3 = -25.0, r4 = -24.0,
	&end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 GLY N)  25.0  55.0
 &rst     iat =   649,   651,   671,   673,
	  r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
	&end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -135.0  75.0
 &rst     iat =   647,   649,   651,   671,
	  r1 = -136.0, r2 = -135.0, r3 =  75.0, r4 =  76.0,
	&end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 GLY N) 105.0 185.0
 &rst     iat =   649,   651,   671,   673,
	  r1 = 104.0, r2 = 105.0, r3 = 185.0, r4 = 186.0,
	&end

# 2 ILE CHI1:  (2 ILE N)-(2 ILE CA)-(2 ILE CB)-(2 ILE CG1) -90.0 210.0
 &rst     iat =    10,    12,    14,    20,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 2 ILE CHI1:  (2 ILE N)-(2 ILE CA)-(2 ILE CB)-(2 ILE CG1) -330.0 -30.0
 &rst     iat =    10,    12,    14,    20,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 2 ILE CHI1:  (2 ILE N)-(2 ILE CA)-(2 ILE CB)-(2 ILE CG1) -210.0  90.0
 &rst     iat =    10,    12,    14,    20,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 2 ILE CHI21:  (2 ILE CA)-(2 ILE CB)-(2 ILE CG1)-(2 ILE CD1) -90.0 210.0
 &rst     iat =    12,    14,    20,    23,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 2 ILE CHI21:  (2 ILE CA)-(2 ILE CB)-(2 ILE CG1)-(2 ILE CD1) -330.0 -30.0
 &rst     iat =    12,    14,    20,    23,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 2 ILE CHI21:  (2 ILE CA)-(2 ILE CB)-(2 ILE CG1)-(2 ILE CD1) -210.0  90.0
 &rst     iat =    12,    14,    20,    23,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 3 VAL CHI1:  (3 VAL N)-(3 VAL CA)-(3 VAL CB)-(3 VAL CG1) -90.0 210.0
 &rst     iat =    29,    31,    33,    35,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 3 VAL CHI1:  (3 VAL N)-(3 VAL CA)-(3 VAL CB)-(3 VAL CG1) -330.0 -30.0
 &rst     iat =    29,    31,    33,    35,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 3 VAL CHI1:  (3 VAL N)-(3 VAL CA)-(3 VAL CB)-(3 VAL CG1) -210.0  90.0
 &rst     iat =    29,    31,    33,    35,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 4 GLU CHI1:  (4 GLU N)-(4 GLU CA)-(4 GLU CB)-(4 GLU CG) -90.0 210.0
 &rst     iat =    45,    47,    49,    52,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 4 GLU CHI1:  (4 GLU N)-(4 GLU CA)-(4 GLU CB)-(4 GLU CG) -330.0 -30.0
 &rst     iat =    45,    47,    49,    52,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 4 GLU CHI1:  (4 GLU N)-(4 GLU CA)-(4 GLU CB)-(4 GLU CG) -210.0  90.0
 &rst     iat =    45,    47,    49,    52,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 4 GLU CHI2:  (4 GLU CA)-(4 GLU CB)-(4 GLU CG)-(4 GLU CD) -90.0 210.0
 &rst     iat =    47,    49,    52,    55,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 4 GLU CHI2:  (4 GLU CA)-(4 GLU CB)-(4 GLU CG)-(4 GLU CD) -330.0 -30.0
 &rst     iat =    47,    49,    52,    55,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 4 GLU CHI2:  (4 GLU CA)-(4 GLU CB)-(4 GLU CG)-(4 GLU CD) -210.0  90.0
 &rst     iat =    47,    49,    52,    55,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 5 GLN CHI1:  (5 GLN N)-(5 GLN CA)-(5 GLN CB)-(5 GLN CG) -90.0 210.0
 &rst     iat =    60,    62,    64,    67,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 5 GLN CHI1:  (5 GLN N)-(5 GLN CA)-(5 GLN CB)-(5 GLN CG) -330.0 -30.0
 &rst     iat =    60,    62,    64,    67,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 5 GLN CHI1:  (5 GLN N)-(5 GLN CA)-(5 GLN CB)-(5 GLN CG) -210.0  90.0
 &rst     iat =    60,    62,    64,    67,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 5 GLN CHI2:  (5 GLN CA)-(5 GLN CB)-(5 GLN CG)-(5 GLN CD) -90.0 210.0
 &rst     iat =    62,    64,    67,    70,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 5 GLN CHI2:  (5 GLN CA)-(5 GLN CB)-(5 GLN CG)-(5 GLN CD) -330.0 -30.0
 &rst     iat =    62,    64,    67,    70,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 5 GLN CHI2:  (5 GLN CA)-(5 GLN CB)-(5 GLN CG)-(5 GLN CD) -210.0  90.0
 &rst     iat =    62,    64,    67,    70,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 6 CYS CHI1:  (6 CYX N)-(6 CYX CA)-(6 CYX CB)-(6 CYX SG) -90.0 210.0
 &rst     iat =    77,    79,    81,    84,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 6 CYS CHI1:  (6 CYX N)-(6 CYX CA)-(6 CYX CB)-(6 CYX SG) -330.0 -30.0
 &rst     iat =    77,    79,    81,    84,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 6 CYS CHI1:  (6 CYX N)-(6 CYX CA)-(6 CYX CB)-(6 CYX SG) -210.0  90.0
 &rst     iat =    77,    79,    81,    84,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 7 CYS CHI1:  (7 CYX N)-(7 CYX CA)-(7 CYX CB)-(7 CYX SG) -90.0 210.0
 &rst     iat =    87,    89,    91,    94,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 7 CYS CHI1:  (7 CYX N)-(7 CYX CA)-(7 CYX CB)-(7 CYX SG) -330.0 -30.0
 &rst     iat =    87,    89,    91,    94,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 7 CYS CHI1:  (7 CYX N)-(7 CYX CA)-(7 CYX CB)-(7 CYX SG) -210.0  90.0
 &rst     iat =    87,    89,    91,    94,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 8 THR CHI1:  (8 THR N)-(8 THR CA)-(8 THR CB)-(8 THR OG1) -90.0 210.0
 &rst     iat =    97,    99,   101,   107,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 8 THR CHI1:  (8 THR N)-(8 THR CA)-(8 THR CB)-(8 THR OG1) -330.0 -30.0
 &rst     iat =    97,    99,   101,   107,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 8 THR CHI1:  (8 THR N)-(8 THR CA)-(8 THR CB)-(8 THR OG1) -210.0  90.0
 &rst     iat =    97,    99,   101,   107,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 9 SER CHI1:  (9 SER N)-(9 SER CA)-(9 SER CB)-(9 SER OG) -90.0 210.0
 &rst     iat =   111,   113,   115,   118,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 9 SER CHI1:  (9 SER N)-(9 SER CA)-(9 SER CB)-(9 SER OG) -330.0 -30.0
 &rst     iat =   111,   113,   115,   118,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 9 SER CHI1:  (9 SER N)-(9 SER CA)-(9 SER CB)-(9 SER OG) -210.0  90.0
 &rst     iat =   111,   113,   115,   118,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 10 ILE CHI1:  (10 ILE N)-(10 ILE CA)-(10 ILE CB)-(10 ILE CG1) -90.0 210.0
 &rst     iat =   122,   124,   126,   132,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 10 ILE CHI1:  (10 ILE N)-(10 ILE CA)-(10 ILE CB)-(10 ILE CG1) -330.0 -30.0
 &rst     iat =   122,   124,   126,   132,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 10 ILE CHI1:  (10 ILE N)-(10 ILE CA)-(10 ILE CB)-(10 ILE CG1) -210.0  90.0
 &rst     iat =   122,   124,   126,   132,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 10 ILE CHI21:  (10 ILE CA)-(10 ILE CB)-(10 ILE CG1)-(10 ILE CD1) -90.0 210.0
 &rst     iat =   124,   126,   132,   135,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 10 ILE CHI21:  (10 ILE CA)-(10 ILE CB)-(10 ILE CG1)-(10 ILE CD1) -330.0 -30.0
 &rst     iat =   124,   126,   132,   135,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 10 ILE CHI21:  (10 ILE CA)-(10 ILE CB)-(10 ILE CG1)-(10 ILE CD1) -210.0  90.0
 &rst     iat =   124,   126,   132,   135,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 11 CYS CHI1:  (11 CYX N)-(11 CYX CA)-(11 CYX CB)-(11 CYX SG) -90.0 210.0
 &rst     iat =   141,   143,   145,   148,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 11 CYS CHI1:  (11 CYX N)-(11 CYX CA)-(11 CYX CB)-(11 CYX SG) -330.0 -30.0
 &rst     iat =   141,   143,   145,   148,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 11 CYS CHI1:  (11 CYX N)-(11 CYX CA)-(11 CYX CB)-(11 CYX SG) -210.0  90.0
 &rst     iat =   141,   143,   145,   148,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 12 SER CHI1:  (12 SER N)-(12 SER CA)-(12 SER CB)-(12 SER OG) -90.0 210.0
 &rst     iat =   151,   153,   155,   158,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 12 SER CHI1:  (12 SER N)-(12 SER CA)-(12 SER CB)-(12 SER OG) -330.0 -30.0
 &rst     iat =   151,   153,   155,   158,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 12 SER CHI1:  (12 SER N)-(12 SER CA)-(12 SER CB)-(12 SER OG) -210.0  90.0
 &rst     iat =   151,   153,   155,   158,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 13 LEU CHI1:  (13 LEU N)-(13 LEU CA)-(13 LEU CB)-(13 LEU CG) -90.0 210.0
 &rst     iat =   162,   164,   166,   169,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 13 LEU CHI1:  (13 LEU N)-(13 LEU CA)-(13 LEU CB)-(13 LEU CG) -330.0 -30.0
 &rst     iat =   162,   164,   166,   169,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 13 LEU CHI1:  (13 LEU N)-(13 LEU CA)-(13 LEU CB)-(13 LEU CG) -210.0  90.0
 &rst     iat =   162,   164,   166,   169,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 13 LEU CHI2:  (13 LEU CA)-(13 LEU CB)-(13 LEU CG)-(13 LEU CD1) -90.0 210.0
 &rst     iat =   164,   166,   169,   171,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 13 LEU CHI2:  (13 LEU CA)-(13 LEU CB)-(13 LEU CG)-(13 LEU CD1) -330.0 -30.0
 &rst     iat =   164,   166,   169,   171,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 13 LEU CHI2:  (13 LEU CA)-(13 LEU CB)-(13 LEU CG)-(13 LEU CD1) -210.0  90.0
 &rst     iat =   164,   166,   169,   171,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 14 TYR CHI1:  (14 TYR N)-(14 TYR CA)-(14 TYR CB)-(14 TYR CG) -90.0 210.0
 &rst     iat =   181,   183,   185,   188,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 14 TYR CHI1:  (14 TYR N)-(14 TYR CA)-(14 TYR CB)-(14 TYR CG) -330.0 -30.0
 &rst     iat =   181,   183,   185,   188,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 14 TYR CHI1:  (14 TYR N)-(14 TYR CA)-(14 TYR CB)-(14 TYR CG) -210.0  90.0
 &rst     iat =   181,   183,   185,   188,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 15 GLN CHI1:  (15 GLN N)-(15 GLN CA)-(15 GLN CB)-(15 GLN CG) -90.0 210.0
 &rst     iat =   202,   204,   206,   209,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 15 GLN CHI1:  (15 GLN N)-(15 GLN CA)-(15 GLN CB)-(15 GLN CG) -330.0 -30.0
 &rst     iat =   202,   204,   206,   209,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 15 GLN CHI1:  (15 GLN N)-(15 GLN CA)-(15 GLN CB)-(15 GLN CG) -210.0  90.0
 &rst     iat =   202,   204,   206,   209,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 15 GLN CHI2:  (15 GLN CA)-(15 GLN CB)-(15 GLN CG)-(15 GLN CD) -90.0 210.0
 &rst     iat =   204,   206,   209,   212,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 15 GLN CHI2:  (15 GLN CA)-(15 GLN CB)-(15 GLN CG)-(15 GLN CD) -330.0 -30.0
 &rst     iat =   204,   206,   209,   212,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 15 GLN CHI2:  (15 GLN CA)-(15 GLN CB)-(15 GLN CG)-(15 GLN CD) -210.0  90.0
 &rst     iat =   204,   206,   209,   212,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 16 LEU CHI1:  (16 LEU N)-(16 LEU CA)-(16 LEU CB)-(16 LEU CG) -90.0 210.0
 &rst     iat =   219,   221,   223,   226,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 16 LEU CHI1:  (16 LEU N)-(16 LEU CA)-(16 LEU CB)-(16 LEU CG) -330.0 -30.0
 &rst     iat =   219,   221,   223,   226,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 16 LEU CHI1:  (16 LEU N)-(16 LEU CA)-(16 LEU CB)-(16 LEU CG) -210.0  90.0
 &rst     iat =   219,   221,   223,   226,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 16 LEU CHI2:  (16 LEU CA)-(16 LEU CB)-(16 LEU CG)-(16 LEU CD1) -90.0 210.0
 &rst     iat =   221,   223,   226,   228,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 16 LEU CHI2:  (16 LEU CA)-(16 LEU CB)-(16 LEU CG)-(16 LEU CD1) -330.0 -30.0
 &rst     iat =   221,   223,   226,   228,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 16 LEU CHI2:  (16 LEU CA)-(16 LEU CB)-(16 LEU CG)-(16 LEU CD1) -210.0  90.0
 &rst     iat =   221,   223,   226,   228,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 17 GLU CHI1:  (17 GLU N)-(17 GLU CA)-(17 GLU CB)-(17 GLU CG) -90.0 210.0
 &rst     iat =   238,   240,   242,   245,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 17 GLU CHI1:  (17 GLU N)-(17 GLU CA)-(17 GLU CB)-(17 GLU CG) -330.0 -30.0
 &rst     iat =   238,   240,   242,   245,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 17 GLU CHI1:  (17 GLU N)-(17 GLU CA)-(17 GLU CB)-(17 GLU CG) -210.0  90.0
 &rst     iat =   238,   240,   242,   245,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 17 GLU CHI2:  (17 GLU CA)-(17 GLU CB)-(17 GLU CG)-(17 GLU CD) -90.0 210.0
 &rst     iat =   240,   242,   245,   248,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 17 GLU CHI2:  (17 GLU CA)-(17 GLU CB)-(17 GLU CG)-(17 GLU CD) -330.0 -30.0
 &rst     iat =   240,   242,   245,   248,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 17 GLU CHI2:  (17 GLU CA)-(17 GLU CB)-(17 GLU CG)-(17 GLU CD) -210.0  90.0
 &rst     iat =   240,   242,   245,   248,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 18 ASN CHI1:  (18 ASN N)-(18 ASN CA)-(18 ASN CB)-(18 ASN CG) -90.0 210.0
 &rst     iat =   253,   255,   257,   260,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 18 ASN CHI1:  (18 ASN N)-(18 ASN CA)-(18 ASN CB)-(18 ASN CG) -330.0 -30.0
 &rst     iat =   253,   255,   257,   260,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 18 ASN CHI1:  (18 ASN N)-(18 ASN CA)-(18 ASN CB)-(18 ASN CG) -210.0  90.0
 &rst     iat =   253,   255,   257,   260,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 19 TYR CHI1:  (19 TYR N)-(19 TYR CA)-(19 TYR CB)-(19 TYR CG) -90.0 210.0
 &rst     iat =   267,   269,   271,   274,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 19 TYR CHI1:  (19 TYR N)-(19 TYR CA)-(19 TYR CB)-(19 TYR CG) -330.0 -30.0
 &rst     iat =   267,   269,   271,   274,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 19 TYR CHI1:  (19 TYR N)-(19 TYR CA)-(19 TYR CB)-(19 TYR CG) -210.0  90.0
 &rst     iat =   267,   269,   271,   274,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 20 CYS CHI1:  (20 CYX N)-(20 CYX CA)-(20 CYX CB)-(20 CYX SG) -90.0 210.0
 &rst     iat =   288,   290,   292,   295,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 20 CYS CHI1:  (20 CYX N)-(20 CYX CA)-(20 CYX CB)-(20 CYX SG) -330.0 -30.0
 &rst     iat =   288,   290,   292,   295,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 20 CYS CHI1:  (20 CYX N)-(20 CYX CA)-(20 CYX CB)-(20 CYX SG) -210.0  90.0
 &rst     iat =   288,   290,   292,   295,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 21 ASN CHI1:  (21 ASN N)-(21 ASN CA)-(21 ASN CB)-(21 ASN CG) -90.0 210.0
 &rst     iat =   298,   300,   302,   305,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 21 ASN CHI1:  (21 ASN N)-(21 ASN CA)-(21 ASN CB)-(21 ASN CG) -330.0 -30.0
 &rst     iat =   298,   300,   302,   305,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 21 ASN CHI1:  (21 ASN N)-(21 ASN CA)-(21 ASN CB)-(21 ASN CG) -210.0  90.0
 &rst     iat =   298,   300,   302,   305,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 101 PHE CHI1:  (101 PHE N)-(101 PHE CA)-(101 PHE CB)-(101 PHE CG) -90.0 210.0
 &rst     iat =   324,   328,   330,   333,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 101 PHE CHI1:  (101 PHE N)-(101 PHE CA)-(101 PHE CB)-(101 PHE CG) -330.0 -30.0
 &rst     iat =   324,   328,   330,   333,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 101 PHE CHI1:  (101 PHE N)-(101 PHE CA)-(101 PHE CB)-(101 PHE CG) -210.0  90.0
 &rst     iat =   324,   328,   330,   333,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 102 VAL CHI1:  (102 VAL N)-(102 VAL CA)-(102 VAL CB)-(102 VAL CG1) -90.0 210.0
 &rst     iat =   346,   348,   350,   352,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 102 VAL CHI1:  (102 VAL N)-(102 VAL CA)-(102 VAL CB)-(102 VAL CG1) -330.0 -30.0
 &rst     iat =   346,   348,   350,   352,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 102 VAL CHI1:  (102 VAL N)-(102 VAL CA)-(102 VAL CB)-(102 VAL CG1) -210.0  90.0
 &rst     iat =   346,   348,   350,   352,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 103 LYS CHI1:  (103 LYS N)-(103 LYS CA)-(103 LYS CB)-(103 LYS CG) -90.0 210.0
 &rst     iat =   362,   364,   366,   369,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 103 LYS CHI1:  (103 LYS N)-(103 LYS CA)-(103 LYS CB)-(103 LYS CG) -330.0 -30.0
 &rst     iat =   362,   364,   366,   369,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 103 LYS CHI1:  (103 LYS N)-(103 LYS CA)-(103 LYS CB)-(103 LYS CG) -210.0  90.0
 &rst     iat =   362,   364,   366,   369,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 103 LYS CHI2:  (103 LYS CA)-(103 LYS CB)-(103 LYS CG)-(103 LYS CD) -90.0 210.0
 &rst     iat =   364,   366,   369,   372,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 103 LYS CHI2:  (103 LYS CA)-(103 LYS CB)-(103 LYS CG)-(103 LYS CD) -330.0 -30.0
 &rst     iat =   364,   366,   369,   372,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 103 LYS CHI2:  (103 LYS CA)-(103 LYS CB)-(103 LYS CG)-(103 LYS CD) -210.0  90.0
 &rst     iat =   364,   366,   369,   372,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 103 LYS CHI3:  (103 LYS CB)-(103 LYS CG)-(103 LYS CD)-(103 LYS CE) -90.0 210.0
 &rst     iat =   366,   369,   372,   375,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 103 LYS CHI3:  (103 LYS CB)-(103 LYS CG)-(103 LYS CD)-(103 LYS CE) -330.0 -30.0
 &rst     iat =   366,   369,   372,   375,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 103 LYS CHI3:  (103 LYS CB)-(103 LYS CG)-(103 LYS CD)-(103 LYS CE) -210.0  90.0
 &rst     iat =   366,   369,   372,   375,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 103 LYS CHI4:  (103 LYS CG)-(103 LYS CD)-(103 LYS CE)-(103 LYS NZ) -90.0 210.0
 &rst     iat =   369,   372,   375,   378,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 103 LYS CHI4:  (103 LYS CG)-(103 LYS CD)-(103 LYS CE)-(103 LYS NZ) -330.0 -30.0
 &rst     iat =   369,   372,   375,   378,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 103 LYS CHI4:  (103 LYS CG)-(103 LYS CD)-(103 LYS CE)-(103 LYS NZ) -210.0  90.0
 &rst     iat =   369,   372,   375,   378,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 104 GLN CHI1:  (104 GLN N)-(104 GLN CA)-(104 GLN CB)-(104 GLN CG) -90.0 210.0
 &rst     iat =   384,   386,   388,   391,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 104 GLN CHI1:  (104 GLN N)-(104 GLN CA)-(104 GLN CB)-(104 GLN CG) -330.0 -30.0
 &rst     iat =   384,   386,   388,   391,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 104 GLN CHI1:  (104 GLN N)-(104 GLN CA)-(104 GLN CB)-(104 GLN CG) -210.0  90.0
 &rst     iat =   384,   386,   388,   391,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 104 GLN CHI2:  (104 GLN CA)-(104 GLN CB)-(104 GLN CG)-(104 GLN CD) -90.0 210.0
 &rst     iat =   386,   388,   391,   394,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 104 GLN CHI2:  (104 GLN CA)-(104 GLN CB)-(104 GLN CG)-(104 GLN CD) -330.0 -30.0
 &rst     iat =   386,   388,   391,   394,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 104 GLN CHI2:  (104 GLN CA)-(104 GLN CB)-(104 GLN CG)-(104 GLN CD) -210.0  90.0
 &rst     iat =   386,   388,   391,   394,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 105 HIS CHI1:  (105 HID N)-(105 HID CA)-(105 HID CB)-(105 HID CG) -90.0 210.0
 &rst     iat =   401,   403,   405,   408,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 105 HIS CHI1:  (105 HID N)-(105 HID CA)-(105 HID CB)-(105 HID CG) -330.0 -30.0
 &rst     iat =   401,   403,   405,   408,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 105 HIS CHI1:  (105 HID N)-(105 HID CA)-(105 HID CB)-(105 HID CG) -210.0  90.0
 &rst     iat =   401,   403,   405,   408,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 106 LEU CHI1:  (106 LEU N)-(106 LEU CA)-(106 LEU CB)-(106 LEU CG) -90.0 210.0
 &rst     iat =   418,   420,   422,   425,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 106 LEU CHI1:  (106 LEU N)-(106 LEU CA)-(106 LEU CB)-(106 LEU CG) -330.0 -30.0
 &rst     iat =   418,   420,   422,   425,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 106 LEU CHI1:  (106 LEU N)-(106 LEU CA)-(106 LEU CB)-(106 LEU CG) -210.0  90.0
 &rst     iat =   418,   420,   422,   425,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 106 LEU CHI2:  (106 LEU CA)-(106 LEU CB)-(106 LEU CG)-(106 LEU CD1) -90.0 210.0
 &rst     iat =   420,   422,   425,   427,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 106 LEU CHI2:  (106 LEU CA)-(106 LEU CB)-(106 LEU CG)-(106 LEU CD1) -330.0 -30.0
 &rst     iat =   420,   422,   425,   427,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 106 LEU CHI2:  (106 LEU CA)-(106 LEU CB)-(106 LEU CG)-(106 LEU CD1) -210.0  90.0
 &rst     iat =   420,   422,   425,   427,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 107 CYS CHI1:  (107 CYX N)-(107 CYX CA)-(107 CYX CB)-(107 CYX SG) -90.0 210.0
 &rst     iat =   437,   439,   441,   444,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 107 CYS CHI1:  (107 CYX N)-(107 CYX CA)-(107 CYX CB)-(107 CYX SG) -330.0 -30.0
 &rst     iat =   437,   439,   441,   444,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 107 CYS CHI1:  (107 CYX N)-(107 CYX CA)-(107 CYX CB)-(107 CYX SG) -210.0  90.0
 &rst     iat =   437,   439,   441,   444,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 109 SER CHI1:  (109 SER N)-(109 SER CA)-(109 SER CB)-(109 SER OG) -90.0 210.0
 &rst     iat =   454,   456,   458,   461,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 109 SER CHI1:  (109 SER N)-(109 SER CA)-(109 SER CB)-(109 SER OG) -330.0 -30.0
 &rst     iat =   454,   456,   458,   461,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 109 SER CHI1:  (109 SER N)-(109 SER CA)-(109 SER CB)-(109 SER OG) -210.0  90.0
 &rst     iat =   454,   456,   458,   461,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 110 HIS CHI1:  (110 HID N)-(110 HID CA)-(110 HID CB)-(110 HID CG) -90.0 210.0
 &rst     iat =   465,   467,   469,   472,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 110 HIS CHI1:  (110 HID N)-(110 HID CA)-(110 HID CB)-(110 HID CG) -330.0 -30.0
 &rst     iat =   465,   467,   469,   472,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 110 HIS CHI1:  (110 HID N)-(110 HID CA)-(110 HID CB)-(110 HID CG) -210.0  90.0
 &rst     iat =   465,   467,   469,   472,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 111 LEU CHI1:  (111 LEU N)-(111 LEU CA)-(111 LEU CB)-(111 LEU CG) -90.0 210.0
 &rst     iat =   482,   484,   486,   489,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 111 LEU CHI1:  (111 LEU N)-(111 LEU CA)-(111 LEU CB)-(111 LEU CG) -330.0 -30.0
 &rst     iat =   482,   484,   486,   489,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 111 LEU CHI1:  (111 LEU N)-(111 LEU CA)-(111 LEU CB)-(111 LEU CG) -210.0  90.0
 &rst     iat =   482,   484,   486,   489,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 111 LEU CHI2:  (111 LEU CA)-(111 LEU CB)-(111 LEU CG)-(111 LEU CD1) -90.0 210.0
 &rst     iat =   484,   486,   489,   491,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 111 LEU CHI2:  (111 LEU CA)-(111 LEU CB)-(111 LEU CG)-(111 LEU CD1) -330.0 -30.0
 &rst     iat =   484,   486,   489,   491,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 111 LEU CHI2:  (111 LEU CA)-(111 LEU CB)-(111 LEU CG)-(111 LEU CD1) -210.0  90.0
 &rst     iat =   484,   486,   489,   491,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 112 VAL CHI1:  (112 VAL N)-(112 VAL CA)-(112 VAL CB)-(112 VAL CG1) -90.0 210.0
 &rst     iat =   501,   503,   505,   507,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 112 VAL CHI1:  (112 VAL N)-(112 VAL CA)-(112 VAL CB)-(112 VAL CG1) -330.0 -30.0
 &rst     iat =   501,   503,   505,   507,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 112 VAL CHI1:  (112 VAL N)-(112 VAL CA)-(112 VAL CB)-(112 VAL CG1) -210.0  90.0
 &rst     iat =   501,   503,   505,   507,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 113 GLU CHI1:  (113 GLU N)-(113 GLU CA)-(113 GLU CB)-(113 GLU CG) -90.0 210.0
 &rst     iat =   517,   519,   521,   524,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 113 GLU CHI1:  (113 GLU N)-(113 GLU CA)-(113 GLU CB)-(113 GLU CG) -330.0 -30.0
 &rst     iat =   517,   519,   521,   524,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 113 GLU CHI1:  (113 GLU N)-(113 GLU CA)-(113 GLU CB)-(113 GLU CG) -210.0  90.0
 &rst     iat =   517,   519,   521,   524,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 113 GLU CHI2:  (113 GLU CA)-(113 GLU CB)-(113 GLU CG)-(113 GLU CD) -90.0 210.0
 &rst     iat =   519,   521,   524,   527,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 113 GLU CHI2:  (113 GLU CA)-(113 GLU CB)-(113 GLU CG)-(113 GLU CD) -330.0 -30.0
 &rst     iat =   519,   521,   524,   527,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 113 GLU CHI2:  (113 GLU CA)-(113 GLU CB)-(113 GLU CG)-(113 GLU CD) -210.0  90.0
 &rst     iat =   519,   521,   524,   527,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 115 LEU CHI1:  (115 LEU N)-(115 LEU CA)-(115 LEU CB)-(115 LEU CG) -90.0 210.0
 &rst     iat =   542,   544,   546,   549,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 115 LEU CHI1:  (115 LEU N)-(115 LEU CA)-(115 LEU CB)-(115 LEU CG) -330.0 -30.0
 &rst     iat =   542,   544,   546,   549,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 115 LEU CHI1:  (115 LEU N)-(115 LEU CA)-(115 LEU CB)-(115 LEU CG) -210.0  90.0
 &rst     iat =   542,   544,   546,   549,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 115 LEU CHI2:  (115 LEU CA)-(115 LEU CB)-(115 LEU CG)-(115 LEU CD1) -90.0 210.0
 &rst     iat =   544,   546,   549,   551,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 115 LEU CHI2:  (115 LEU CA)-(115 LEU CB)-(115 LEU CG)-(115 LEU CD1) -330.0 -30.0
 &rst     iat =   544,   546,   549,   551,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 115 LEU CHI2:  (115 LEU CA)-(115 LEU CB)-(115 LEU CG)-(115 LEU CD1) -210.0  90.0
 &rst     iat =   544,   546,   549,   551,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 116 TYR CHI1:  (116 TYR N)-(116 TYR CA)-(116 TYR CB)-(116 TYR CG) -90.0 210.0
 &rst     iat =   561,   563,   565,   568,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 116 TYR CHI1:  (116 TYR N)-(116 TYR CA)-(116 TYR CB)-(116 TYR CG) -330.0 -30.0
 &rst     iat =   561,   563,   565,   568,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 116 TYR CHI1:  (116 TYR N)-(116 TYR CA)-(116 TYR CB)-(116 TYR CG) -210.0  90.0
 &rst     iat =   561,   563,   565,   568,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 117 LEU CHI1:  (117 LEU N)-(117 LEU CA)-(117 LEU CB)-(117 LEU CG) -90.0 210.0
 &rst     iat =   582,   584,   586,   589,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 117 LEU CHI1:  (117 LEU N)-(117 LEU CA)-(117 LEU CB)-(117 LEU CG) -330.0 -30.0
 &rst     iat =   582,   584,   586,   589,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 117 LEU CHI1:  (117 LEU N)-(117 LEU CA)-(117 LEU CB)-(117 LEU CG) -210.0  90.0
 &rst     iat =   582,   584,   586,   589,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 117 LEU CHI2:  (117 LEU CA)-(117 LEU CB)-(117 LEU CG)-(117 LEU CD1) -90.0 210.0
 &rst     iat =   584,   586,   589,   591,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 117 LEU CHI2:  (117 LEU CA)-(117 LEU CB)-(117 LEU CG)-(117 LEU CD1) -330.0 -30.0
 &rst     iat =   584,   586,   589,   591,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 117 LEU CHI2:  (117 LEU CA)-(117 LEU CB)-(117 LEU CG)-(117 LEU CD1) -210.0  90.0
 &rst     iat =   584,   586,   589,   591,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 118 VAL CHI1:  (118 VAL N)-(118 VAL CA)-(118 VAL CB)-(118 VAL CG1) -90.0 210.0
 &rst     iat =   601,   603,   605,   607,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 118 VAL CHI1:  (118 VAL N)-(118 VAL CA)-(118 VAL CB)-(118 VAL CG1) -330.0 -30.0
 &rst     iat =   601,   603,   605,   607,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 118 VAL CHI1:  (118 VAL N)-(118 VAL CA)-(118 VAL CB)-(118 VAL CG1) -210.0  90.0
 &rst     iat =   601,   603,   605,   607,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 119 CYS CHI1:  (119 CYX N)-(119 CYX CA)-(119 CYX CB)-(119 CYX SG) -90.0 210.0
 &rst     iat =   617,   619,   621,   624,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 119 CYS CHI1:  (119 CYX N)-(119 CYX CA)-(119 CYX CB)-(119 CYX SG) -330.0 -30.0
 &rst     iat =   617,   619,   621,   624,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 119 CYS CHI1:  (119 CYX N)-(119 CYX CA)-(119 CYX CB)-(119 CYX SG) -210.0  90.0
 &rst     iat =   617,   619,   621,   624,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 121 GLU CHI1:  (121 GLU N)-(121 GLU CA)-(121 GLU CB)-(121 GLU CG) -90.0 210.0
 &rst     iat =   634,   636,   638,   641,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 121 GLU CHI1:  (121 GLU N)-(121 GLU CA)-(121 GLU CB)-(121 GLU CG) -330.0 -30.0
 &rst     iat =   634,   636,   638,   641,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 121 GLU CHI1:  (121 GLU N)-(121 GLU CA)-(121 GLU CB)-(121 GLU CG) -210.0  90.0
 &rst     iat =   634,   636,   638,   641,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 121 GLU CHI2:  (121 GLU CA)-(121 GLU CB)-(121 GLU CG)-(121 GLU CD) -90.0 210.0
 &rst     iat =   636,   638,   641,   644,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 121 GLU CHI2:  (121 GLU CA)-(121 GLU CB)-(121 GLU CG)-(121 GLU CD) -330.0 -30.0
 &rst     iat =   636,   638,   641,   644,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 121 GLU CHI2:  (121 GLU CA)-(121 GLU CB)-(121 GLU CG)-(121 GLU CD) -210.0  90.0
 &rst     iat =   636,   638,   641,   644,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 122 ARG CHI1:  (122 ARG N)-(122 ARG CA)-(122 ARG CB)-(122 ARG CG) -90.0 210.0
 &rst     iat =   649,   651,   653,   656,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 122 ARG CHI1:  (122 ARG N)-(122 ARG CA)-(122 ARG CB)-(122 ARG CG) -330.0 -30.0
 &rst     iat =   649,   651,   653,   656,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 122 ARG CHI1:  (122 ARG N)-(122 ARG CA)-(122 ARG CB)-(122 ARG CG) -210.0  90.0
 &rst     iat =   649,   651,   653,   656,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 122 ARG CHI2:  (122 ARG CA)-(122 ARG CB)-(122 ARG CG)-(122 ARG CD) -90.0 210.0
 &rst     iat =   651,   653,   656,   659,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 122 ARG CHI2:  (122 ARG CA)-(122 ARG CB)-(122 ARG CG)-(122 ARG CD) -330.0 -30.0
 &rst     iat =   651,   653,   656,   659,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 122 ARG CHI2:  (122 ARG CA)-(122 ARG CB)-(122 ARG CG)-(122 ARG CD) -210.0  90.0
 &rst     iat =   651,   653,   656,   659,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

# 122 ARG CHI3:  (122 ARG CB)-(122 ARG CG)-(122 ARG CD)-(122 ARG NE) -90.0 210.0
 &rst     iat =   653,   656,   659,   662,
	  r1 = -91.0, r2 = -90.0, r3 = 210.0, r4 = 211.0,
	&end

# 122 ARG CHI3:  (122 ARG CB)-(122 ARG CG)-(122 ARG CD)-(122 ARG NE) -330.0 -30.0
 &rst     iat =   653,   656,   659,   662,
	  r1 = -331.0, r2 = -330.0, r3 = -30.0, r4 = -29.0,
	&end

# 122 ARG CHI3:  (122 ARG CB)-(122 ARG CG)-(122 ARG CD)-(122 ARG NE) -210.0  90.0
 &rst     iat =   653,   656,   659,   662,
	  r1 = -211.0, r2 = -210.0, r3 =  90.0, r4 =  91.0,
	&end

#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 2 atoms:  CA CG2 CG1 HB
 &rst iat=12,16,20,15, &end
#
#  chirality for residue 2 atoms:  CB CD1 HG12 HG13
 &rst iat=14,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,27,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG1 CG2 HB
 &rst iat=31,35,39,34, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=29,43,32,33, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=49,55,53,54, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=45,58,48,49, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=62,67,65,66, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=64,70,68,69, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=60,75,63,64, &end
#
#  chirality for residue 6 atoms:  CA SG HB2 HB3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=77,85,80,81, &end
#
#  chirality for residue 7 atoms:  CA SG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=87,95,90,91, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=99,103,107,102, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=97,109,100,101, &end
#
#  chirality for residue 9 atoms:  CA OG HB2 HB3
 &rst iat=113,118,116,117, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=111,120,114,115, &end
#
#  chirality for residue 10 atoms:  CA CG2 CG1 HB
 &rst iat=124,128,132,127, &end
#
#  chirality for residue 10 atoms:  CB CD1 HG12 HG13
 &rst iat=126,135,133,134, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=122,139,125,126, &end
#
#  chirality for residue 11 atoms:  CA SG HB2 HB3
 &rst iat=143,148,146,147, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=141,149,144,145, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=151,160,154,155, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=166,171,175,170, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=162,179,165,166, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=183,188,186,187, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=181,200,184,185, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=204,209,207,208, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=206,212,210,211, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=202,217,205,206, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=221,226,224,225, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=223,228,232,227, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=219,236,222,223, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=240,245,243,244, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=242,248,246,247, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=238,251,241,242, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=253,265,256,257, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=269,274,272,273, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=267,286,270,271, &end
#
#  chirality for residue 20 atoms:  CA SG HB2 HB3
 &rst iat=290,295,293,294, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=288,296,291,292, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=300,305,303,304, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=298,310,301,302, &end
#
#  chirality for residue 22 atoms:  CA OG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=312,321,315,316, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=324,344,329,330, &end
#
#  chirality for residue 102 atoms:  CA CG1 CG2 HB
 &rst iat=348,352,356,351, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=346,360,349,350, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=364,369,367,368, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=366,372,370,371, &end
#
#  chirality for residue 103 atoms:  CD NZ HE2 HE3
 &rst iat=372,378,376,377, &end
#
#  chirality for residue 103 atoms:  CG CE HD2 HD3
 &rst iat=369,375,373,374, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=362,382,365,366, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=386,391,389,390, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=388,394,392,393, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=384,399,387,388, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=403,408,406,407, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=401,416,404,405, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=420,425,423,424, &end
#
#  chirality for residue 106 atoms:  CB CD1 CD2 HG
 &rst iat=422,427,431,426, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=418,435,421,422, &end
#
#  chirality for residue 107 atoms:  CA SG HB2 HB3
 &rst iat=439,444,442,443, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=437,445,440,441, &end
#
#  chirality for residue 108 atoms:  N C HA2 HA3
 &rst iat=447,452,450,451, &end
#
#  chirality for residue 109 atoms:  CA OG HB2 HB3
 &rst iat=456,461,459,460, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=454,463,457,458, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=467,472,470,471, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=465,480,468,469, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=484,489,487,488, &end
#
#  chirality for residue 111 atoms:  CB CD1 CD2 HG
 &rst iat=486,491,495,490, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=482,499,485,486, &end
#
#  chirality for residue 112 atoms:  CA CG1 CG2 HB
 &rst iat=503,507,511,506, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=501,515,504,505, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=521,527,525,526, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=517,530,520,521, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=532,540,535,536, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=544,549,547,548, &end
#
#  chirality for residue 115 atoms:  CB CD1 CD2 HG
 &rst iat=546,551,555,550, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=542,559,545,546, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=561,580,564,565, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=584,589,587,588, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=586,591,595,590, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=582,599,585,586, &end
#
#  chirality for residue 118 atoms:  CA CG1 CG2 HB
 &rst iat=603,607,611,606, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=601,615,604,605, &end
#
#  chirality for residue 119 atoms:  CA SG HB2 HB3
 &rst iat=619,624,622,623, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=617,625,620,621, &end
#
#  chirality for residue 120 atoms:  N C HA2 HA3
 &rst iat=627,632,630,631, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=636,641,639,640, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=638,644,642,643, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=634,647,637,638, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=651,656,654,655, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=653,659,657,658, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=656,662,660,661, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=649,671,652,653, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=673,678,676,677, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=682,687,685,686, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=680,698,683,684, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=702,707,705,706, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=700,718,703,704, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=722,727,725,726, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=720,739,723,724, &end
#
#  chirality for residue 127 atoms:  CA CG2 OG1 HB
 &rst iat=743,747,751,746, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=741,753,744,745, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=765,759,763,764, &end
#
#  chirality for residue 128 atoms:  CB CD HG2 HG3
 &rst iat=762,756,760,761, &end
#
#  chirality for residue 128 atoms:  CG N HD2 HD3
 &rst iat=759,755,757,758, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=755,767,766,762, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=771,776,774,775, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=773,779,777,778, &end
#
#  chirality for residue 129 atoms:  CD NZ HE2 HE3
 &rst iat=779,785,783,784, &end
#
#  chirality for residue 129 atoms:  CG CE HD2 HD3
 &rst iat=776,782,780,781, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=769,789,772,773, &end
#
#  chirality for residue 130 atoms:  CA CG2 OG1 HB
 &rst iat=793,797,801,796, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=791,803,794,795, &end
#
#  chirality for residue 131 atoms:  CA CG HB2 HB3
 &rst iat=807,812,810,811, &end
#
#  chirality for residue 131 atoms:  CB CD HG2 HG3
 &rst iat=809,815,813,814, &end
#
#  chirality for residue 131 atoms:  CG NE HD2 HD3
 &rst iat=812,818,816,817, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=805,827,808,809, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=31,29,27,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=47,45,43,31, &end
#
#  trans-omega constraint for residue 5
 &rst iat=62,60,58,47, &end
#
#  trans-omega constraint for residue 6
 &rst iat=79,77,75,62, &end
#
#  trans-omega constraint for residue 7
 &rst iat=89,87,85,79, &end
#
#  trans-omega constraint for residue 8
 &rst iat=99,97,95,89, &end
#
#  trans-omega constraint for residue 9
 &rst iat=113,111,109,99, &end
#
#  trans-omega constraint for residue 10
 &rst iat=124,122,120,113, &end
#
#  trans-omega constraint for residue 11
 &rst iat=143,141,139,124, &end
#
#  trans-omega constraint for residue 12
 &rst iat=153,151,149,143, &end
#
#  trans-omega constraint for residue 13
 &rst iat=164,162,160,153, &end
#
#  trans-omega constraint for residue 14
 &rst iat=183,181,179,164, &end
#
#  trans-omega constraint for residue 15
 &rst iat=204,202,200,183, &end
#
#  trans-omega constraint for residue 16
 &rst iat=221,219,217,204, &end
#
#  trans-omega constraint for residue 17
 &rst iat=240,238,236,221, &end
#
#  trans-omega constraint for residue 18
 &rst iat=255,253,251,240, &end
#
#  trans-omega constraint for residue 19
 &rst iat=269,267,265,255, &end
#
#  trans-omega constraint for residue 20
 &rst iat=290,288,286,269, &end
#
#  trans-omega constraint for residue 21
 &rst iat=300,298,296,290, &end
#
#  trans-omega constraint for residue 22
 &rst iat=314,312,310,300, &end
#
#  trans-omega constraint for residue 102
 &rst iat=348,346,344,328, &end
#
#  trans-omega constraint for residue 103
 &rst iat=364,362,360,348, &end
#
#  trans-omega constraint for residue 104
 &rst iat=386,384,382,364, &end
#
#  trans-omega constraint for residue 105
 &rst iat=403,401,399,386, &end
#
#  trans-omega constraint for residue 106
 &rst iat=420,418,416,403, &end
#
#  trans-omega constraint for residue 107
 &rst iat=439,437,435,420, &end
#
#  trans-omega constraint for residue 108
 &rst iat=449,447,445,439, &end
#
#  trans-omega constraint for residue 109
 &rst iat=456,454,452,449, &end
#
#  trans-omega constraint for residue 110
 &rst iat=467,465,463,456, &end
#
#  trans-omega constraint for residue 111
 &rst iat=484,482,480,467, &end
#
#  trans-omega constraint for residue 112
 &rst iat=503,501,499,484, &end
#
#  trans-omega constraint for residue 113
 &rst iat=519,517,515,503, &end
#
#  trans-omega constraint for residue 114
 &rst iat=534,532,530,519, &end
#
#  trans-omega constraint for residue 115
 &rst iat=544,542,540,534, &end
#
#  trans-omega constraint for residue 116
 &rst iat=563,561,559,544, &end
#
#  trans-omega constraint for residue 117
 &rst iat=584,582,580,563, &end
#
#  trans-omega constraint for residue 118
 &rst iat=603,601,599,584, &end
#
#  trans-omega constraint for residue 119
 &rst iat=619,617,615,603, &end
#
#  trans-omega constraint for residue 120
 &rst iat=629,627,625,619, &end
#
#  trans-omega constraint for residue 121
 &rst iat=636,634,632,629, &end
#
#  trans-omega constraint for residue 122
 &rst iat=651,649,647,636, &end
#
#  trans-omega constraint for residue 123
 &rst iat=675,673,671,651, &end
#
#  trans-omega constraint for residue 124
 &rst iat=682,680,678,675, &end
#
#  trans-omega constraint for residue 125
 &rst iat=702,700,698,682, &end
#
#  trans-omega constraint for residue 126
 &rst iat=722,720,718,702, &end
#
#  trans-omega constraint for residue 127
 &rst iat=743,741,739,722, &end
#
#  trans-omega constraint for residue 128
 &rst iat=765,755,753,743, &end
#
#  trans-omega constraint for residue 129
 &rst iat=771,769,767,765, &end
#
#  trans-omega constraint for residue 130
 &rst iat=793,791,789,771, &end
#
#  trans-omega constraint for residue 131
 &rst iat=807,805,803,793, &end
# Restraints file 2: md-annealing-1.crd
                                                                                
  829  0.1500000E+02
   4.8105106   2.8254897  -4.5697303   5.0654647   3.7864688  -4.3890479
   5.5447333   2.2208040  -4.2299508   3.9622087   2.6166118  -4.0639622
   4.6145261   2.6311730  -6.0223590   3.8550201   3.3202106  -6.3939876
   5.5534643   2.8246458  -6.5438803   4.1937744   1.2075133  -6.3306389
   5.0323649   0.3165058  -6.4314875   2.8893576   0.9739600  -6.4929875
   2.2501677   1.7609676  -6.5327785   2.2927057  -0.3646282  -6.7107120
   2.7198749  -1.0613197  -5.9847741   0.7692199  -0.2951711  -6.4550044
   0.6119788  -0.1536864  -5.3816604   0.1802278   0.9071514  -7.1936324
   0.3829946   0.8261642  -8.2704382  -0.8811693   0.9218045  -6.9907606
   0.5670487   1.8558920  -6.8266913   0.0391250  -1.5859325  -6.8866569
   0.0420806  -1.6154212  -7.9778169   0.5976667  -2.4447715  -6.5093322
  -1.4201328  -1.7445880  -6.4314920  -2.0637447  -0.9634479  -6.8400896
  -1.7917197  -2.7145554  -6.7760018  -1.4691914  -1.7075314  -5.3453537
   2.6325521  -0.9211604  -8.1023419   2.8111621  -2.1244023  -8.2623651
   2.7996519  -0.0326062  -9.0823554   2.4299356   0.8870180  -8.9266422
   3.3527105  -0.2707939 -10.4186044   2.6176774  -0.7517134 -11.0485320
   3.7726809   1.0725362 -11.0351510   4.6319369   1.4590150 -10.4845642
   4.1807581   0.9190326 -12.5119275   3.3491580   0.5212910 -13.0920769
   4.4685708   1.8894268 -12.9210609   5.0352599   0.2514874 -12.6091048
   2.6877539   2.1554828 -10.9908512   1.8022820   1.8338689 -11.5282498
   2.4191237   2.4124637  -9.9656616   3.0599582   3.0622716 -11.4662767
   4.5660509  -1.1844514 -10.4043660   4.6644405  -2.0671498 -11.2515031
   5.4577786  -1.0364637  -9.4265925   5.3044930  -0.3350649  -8.7126108
   6.6501637  -1.8802670  -9.3687411   7.1558844  -1.7602294 -10.3247495
   7.5662502  -1.4029982  -8.2260466   7.7137256  -0.3249753  -8.3026521
   7.0688070  -1.6065557  -7.2767389   8.9370650  -2.1028403  -8.2138150
   9.4580137  -1.8033674  -7.3035584   8.7767161  -3.1793505  -8.1531257
   9.8339641  -1.7708591  -9.4287660   9.7489836  -0.6508207  -9.9861025
  10.6665271  -2.6272993  -9.8130990   6.2713500  -3.3660806  -9.1938305
   6.8562333  -4.2466518  -9.8256989   5.2311988  -3.6362266  -8.4006183
   4.7504256  -2.8437803  -7.9850890   4.6619817  -4.9645655  -8.1583081
   5.4876721  -5.6694221  -8.0372597   3.8387728  -4.9169707  -6.8555739
   4.2999264  -4.1788880  -6.2062262   2.8259663  -4.5587625  -7.0494487
   3.7644552  -6.2567148  -6.0980218   4.6831136  -6.8233917  -6.2538586
   3.6948187  -6.0394172  -5.0311792   2.5589159  -7.1143983  -6.4749434
   1.5751102  -7.1895584  -5.7550825   2.5775794  -7.7966495  -7.5987097
   3.3296974  -7.6867101  -8.2603212   1.7598202  -8.3494867  -7.8312681
   3.7945136  -5.4343998  -9.3324603   3.9606124  -6.5553964  -9.8077809
   2.8680534  -4.5920270  -9.7892941   2.7946576  -3.7077147  -9.3023508
   1.8542601  -4.9683963 -10.7816271   1.5022351  -5.9702413 -10.5622833
   0.6289512  -4.0587756 -10.7034178   0.9291888  -3.0399537 -10.9404374
  -0.0960372  -4.3791398 -11.4641495  -0.1807232  -4.0792133  -9.0825839
   2.3748618  -5.0345574 -12.2088297   1.7984612  -5.7710751 -13.0029576
   3.4394236  -4.3022332 -12.5437515   3.8386952  -3.6633850 -11.8644935
   4.0032288  -4.3286224 -13.8855881   3.1821952  -4.5445635 -14.5863149
   4.5351579  -2.9304077 -14.2294386   3.7265095  -2.2051880 -14.1241649
   5.3057432  -2.6326463 -13.5242465   5.2326575  -2.8101794 -15.8933853
   5.0767034  -5.4296896 -14.0330831   5.1109310  -6.1066788 -15.0644349
   5.9298361  -5.6469835 -13.0142172   5.8786284  -5.0572546 -12.1909910
   6.9881411  -6.6855426 -13.0593521   7.3049351  -6.7989016 -14.0956744
   8.2517142  -6.3190424 -12.2681079   9.0238535  -7.0423229 -12.5352510
   8.7727107  -4.9317334 -12.6099956   8.9189408  -4.8731329 -13.6883832
   9.7248117  -4.7709354 -12.1040178   8.0547815  -4.1755887 -12.2950513
   8.0679749  -6.4078872 -10.8749501   7.6664301  -5.5724725 -10.5620799
   6.5121535  -8.0607781 -12.5924398   6.9877469  -9.0771890 -13.1052567
   5.5602352  -8.1008905 -11.6569728   5.2202442  -7.2226552 -11.2769441
   4.8474256  -9.3096527 -11.2446107   5.1825553 -10.1359102 -11.8589395
   5.2191458  -9.6658348  -9.7962564   6.2973825  -9.7791392  -9.7483735
   4.9080257  -8.8734611  -9.1171818   4.6616590 -10.9006180  -9.3802299
   5.0590044 -11.1472486  -8.5226307   3.3454792  -9.1401469 -11.5250739
   2.9792212  -8.4961757 -12.5095710   2.4759350  -9.7395876 -10.7154376
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   0.0381221  -0.0212500  -0.0079313   0.0072501   0.0200326   0.0029672
   0.0077517  -0.0105448   0.0879898   0.0094875  -0.0061162  -0.0117350
   0.0147848  -0.0024121   0.0374152  -0.0023593   0.0146937  -0.0203170
   0.0005140  -0.0044360  -0.0079986   0.0032497  -0.0074976   0.0282590
   0.0046515   0.0034218  -0.0115710  -0.0557173  -0.0094427   0.0785350
  -0.0704218  -0.0023283   0.0000797  -0.0121898   0.0181066  -0.0480986
   0.0103559  -0.0202085  -0.0065665  -0.0202025   0.0243166  -0.0030285
  -0.0726204   0.0025495   0.0362451  -0.0039991  -0.0142278  -0.0094960
  -0.0005198  -0.0026901  -0.0030695  -0.0062035  -0.0098809   0.0029299
   0.0025362  -0.0066561  -0.0020215  -0.0153203  -0.0132410   0.0195674
  -0.0077137  -0.0104845   0.0105978  -0.0185927   0.0091312   0.0211172
  -0.0071259   0.0099548   0.0023505   0.0219574  -0.0027533   0.0225964
   0.0134065   0.0111866   0.0177785   0.0322447   0.0090989   0.0057071
   0.0076207   0.0296219  -0.0105691  -0.0466681  -0.0028891   0.0042342
   0.0111366  -0.0159473   0.0064310   0.0152278  -0.0528423  -0.0044293
   0.0041403   0.0194118  -0.0346831   0.0123294   0.0037675   0.0151300
   0.0065932   0.0052844   0.0006192  -0.0153631  -0.0015956  -0.0005488
  -0.0078913   0.0089296   0.0071303  -0.0071571   0.0208552   0.0175092
   0.0168237   0.0018093  -0.0265309   0.0329675  -0.0265146  -0.0407871
  -0.0064851  -0.0139005   0.0114711   0.0136617   0.0102323  -0.0298325
  -0.0142108  -0.0680821  -0.0608873  -0.0138263  -0.0089158  -0.0121672
  -0.0135776  -0.0412747   0.0563756  -0.0389292   0.0092495   0.0069965
   0.0030910  -0.0108359   0.0094216   0.0113152  -0.0189301   0.0136876
  -0.0020393  -0.0107512  -0.0089114   0.0158600   0.0006081   0.0180142
  -0.0092792   0.0016645  -0.0123974  -0.0039921  -0.0154873   0.0046815
  -0.0080543   0.0107401  -0.0342243  -0.0152065   0.0026705   0.0094099
  -0.0132460   0.0606018   0.0034559  -0.0077820  -0.0105167   0.0149846
  -0.0571360   0.0508349  -0.0075757  -0.0002753  -0.0833089  -0.0323121
  -0.0064318  -0.0090034  -0.0065392  -0.0083009  -0.0003625  -0.0253923
   0.0041353  -0.0020745   0.0006074  -0.0085077  -0.0147388   0.0002477
   0.0643334   0.0323548   0.0140694  -0.0065611  -0.0059830   0.0011173
  -0.0488986   0.0173090  -0.0005222   0.0055512   0.0003605   0.0018235
  -0.0266639   0.0179571   0.0185306  -0.0049866  -0.0189024   0.0147333
   0.0073768  -0.0155878  -0.0068005  -0.0145024   0.0032906   0.0440251
  -0.0070845   0.0028290  -0.0050158  -0.0606890   0.0337883   0.0204219
  -0.0036691   0.0080901   0.0147668  -0.0010074  -0.0485357   0.0011600
   0.0035780   0.0060549  -0.0051489   0.0122141  -0.0334552  -0.0050083
  -0.0410612  -0.0186224   0.0427210   0.0567690  -0.0568722  -0.0135079
  -0.0049600  -0.0047078  -0.0110902   0.0044476  -0.0011604   0.0023295
   0.0129143  -0.0017989   0.0117562   0.0772702   0.0124919  -0.0002220
  -0.0007546  -0.0079048  -0.0088954  -0.0477345  -0.0258040   0.0435508
   0.0020579  -0.0099883   0.0035453  -0.0035456   0.0282021   0.0456758
  -0.0093088   0.0560408  -0.0222174   0.0059903   0.0035842  -0.0092525
   0.0060006  -0.0027218  -0.0076668   0.0472598   0.0045929  -0.0041758
   0.0030816   0.0170528  -0.0101456  -0.0074472   0.0063699  -0.0043045
   0.0013784  -0.0004815   0.0082372  -0.0100929   0.0035366   0.0127731
   0.0482842  -0.0092989   0.0174135   0.0085028  -0.0049853   0.0037493
   0.0463930  -0.0217541   0.0151425   0.0120172  -0.0157908   0.0162501
   0.0119919  -0.0472625   0.0397482   0.0007332  -0.0199667  -0.0059120
  -0.0051526   0.0058038  -0.0044772  -0.0118659  -0.0033643   0.0074539
   0.0200078   0.0145861   0.0433169  -0.0177613   0.0023883  -0.0105225
  -0.0116619  -0.0332849   0.0309220  -0.0089013   0.0119982  -0.0106381
   0.0119234  -0.0536593  -0.0076208  -0.0301760  -0.0015901  -0.0327900
  -0.0196803   0.0051959  -0.0079057  -0.0308993  -0.0061833  -0.0326750
   0.0184286   0.0079943   0.0006231   0.0097653  -0.0737526  -0.0440216
  -0.0426715   0.0414193   0.0005381  -0.0343866  -0.0577918   0.0122252
  -0.0059397  -0.0044200  -0.0088163  -0.0091971   0.0024824  -0.0294769
  -0.0665197   0.0078491  -0.0047080   0.0067869  -0.0298808  -0.0289345
  -0.0120062  -0.0202240  -0.0004360  -0.0098797   0.0059475   0.0075616
   0.0088205   0.0078231  -0.0010177  -0.0178993   0.0298008  -0.0070962
  -0.0055507  -0.0154582  -0.0188671  -0.0659646  -0.0049653   0.0027987
  -0.0062847   0.0178184   0.0022614  -0.0327486  -0.0142959  -0.0068453
  -0.0200042   0.0038978  -0.0003697   0.0275303   0.0063479   0.0286053
   0.0550814   0.0210689   0.0306372   0.0012871  -0.0189007  -0.0028847
  -0.0052162   0.0172567  -0.0033237   0.0123179   0.0234789   0.0087542
   0.0464677   0.0678904   0.0303871   0.0104216   0.0306095  -0.0610285
  -0.0157986   0.0019561   0.0341074  -0.0037714   0.0119965  -0.0030844
   0.0154906  -0.0020299   0.0042930   0.0228972   0.0533876  -0.0020613
   0.0085783  -0.0034047  -0.0077503  -0.0302325  -0.0211660  -0.0171682
  -0.0070488   0.0062161   0.0085299   0.0427167   0.0597785   0.0538141
   0.0404507   0.0664403   0.0245709   0.0083824   0.0091066   0.0013286
   0.0005775   0.0111848  -0.0141488  -0.0138668  -0.0032676   0.0066797
  -0.0031545  -0.0016079   0.0017050   0.0426388  -0.0225673  -0.0108704
   0.0018757  -0.0127276   0.0047026   0.0177690  -0.0612857  -0.0731781
  -0.0312836   0.0037991   0.0338283   0.0260823   0.0099391  -0.0041564
  -0.0103575   0.0100240   0.0082876   0.0171870  -0.0164913  -0.0001551
   0.0157045  -0.0575619   0.0121715   0.0039018  -0.0100157  -0.0142789
  -0.0534233  -0.0333795  -0.0128545   0.0216172  -0.0164986   0.0004543
  -0.0073594  -0.0260414   0.0002590   0.0019072   0.0053221   0.0051989
   0.0048419  -0.0033353  -0.0194306   0.0224655  -0.0610321  -0.0065417
   0.0644538  -0.0339696  -0.0196754   0.0001498  -0.0230522  -0.0048671
   0.0064583  -0.0162566  -0.0068059   0.0061887  -0.0208605  -0.0184633
  -0.0016434   0.0021346   0.0121690   0.0134386   0.0102681  -0.0160811
   0.0136841   0.0158930  -0.0127864   0.0092746  -0.0155684   0.0055278
  -0.0020624  -0.0145620   0.0108434   0.0623145   0.0498874   0.0700408
  -0.0135844   0.0016716   0.0160480  -0.0105967   0.0151909  -0.0218694
  -0.0133973   0.0525669   0.0080962  -0.0154416  -0.0026553   0.0027952
   0.0135645  -0.0085558  -0.0118680  -0.0487078  -0.0021402  -0.0211511
  -0.0096226  -0.0040464   0.0055113  -0.0445654  -0.0086240   0.0008568
   0.0060189  -0.0299847  -0.0072206  -0.0135081   0.0001574  -0.0117967
  -0.0080488  -0.0317303  -0.0378119  -0.0080693   0.0082160  -0.0250900
  -0.0110920   0.0121489  -0.0153463   0.0241051   0.0151800   0.0062342
  -0.0935240  -0.0122415   0.0175528   0.0050337   0.0123640  -0.0148908
  -0.0032284  -0.0049625  -0.0174645  -0.0446452   0.0373943  -0.0166880
   0.0068792   0.0009489  -0.0193449   0.0028357  -0.0042757  -0.0107876
   0.0043220   0.0100723   0.0021010  -0.0356177  -0.0350562   0.0082539
  -0.0090660   0.0150741   0.0123949  -0.0273545   0.0146296  -0.0725243
   0.0030634   0.0075930  -0.0313400  -0.0087221  -0.0117715  -0.0087493
   0.0050533   0.0130543   0.0179268   0.0161193   0.0085749  -0.0089595
  -0.0228274   0.0380871  -0.0438567   0.0001130  -0.0051746  -0.0006949
   0.0080476  -0.0665982  -0.0071716   0.0065663   0.0025170  -0.0005889
   0.0348016  -0.0360887  -0.0309512   0.0232299   0.0109078  -0.0478822
   0.0004474   0.0184000  -0.0081023   0.0040222  -0.0204176   0.0067425
  -0.0372430  -0.0080719  -0.0272350   0.0033285   0.0128774   0.0033207
  -0.0546309   0.0726638   0.0033660  -0.0027204   0.0215191  -0.0006504
  -0.0301151  -0.0625781  -0.0169572   0.0012980   0.0119076   0.0079988
  -0.0571010   0.0549627  -0.0151516   0.0075831   0.0075151   0.0019187
  -0.0067032   0.0090894   0.0516408   0.0069113  -0.0152495   0.0148397
   0.0212126  -0.0034124  -0.0299189   0.0017817   0.0103020   0.0112599
   0.0080954  -0.0279516   0.0198057   0.0100059  -0.0116070   0.0023050
   0.0116338  -0.0074715   0.0144935  -0.0024851   0.0023583  -0.0289186
  -0.0245751   0.0638984  -0.0298380   0.0186120   0.0026573  -0.0167186
   0.0275814  -0.0097068  -0.0042632   0.0297494  -0.0180382   0.0111298
   0.0190604  -0.0476728  -0.0288005   0.0306836  -0.0103648   0.0037939
   0.0600578  -0.0445792  -0.0149885   0.0201548  -0.0324774   0.0101492
   0.0315331  -0.0475742   0.0111966  -0.0098818  -0.0173495   0.0227309
   0.0123869  -0.0368845   0.0557622   0.0189311   0.0063619   0.0276013
  -0.0060133  -0.0205167  -0.0223903  -0.0148132  -0.0110736  -0.0072730
  -0.0096924  -0.0030214   0.0109712   0.0108789  -0.0152536  -0.0032205
   0.0165564   0.0091389   0.0504595   0.0040073   0.0120695   0.0121690
   0.0093097   0.0121308  -0.0095816   0.0088970   0.0045826   0.0172502
   0.0576773  -0.0370472   0.0141326   0.0330111  -0.0385359  -0.0092827
   0.0055558  -0.0183480  -0.0032900  -0.0139488  -0.0280986  -0.0253226
  -0.0248078  -0.0642748  -0.0018042   0.0037800  -0.0200226  -0.0013234
  -0.0277429  -0.0991940  -0.0455312   0.0191731  -0.0144206  -0.0266445
   0.0194228   0.0039990  -0.0069415  -0.0076630   0.0003476  -0.0721540
   0.0075835   0.0007914  -0.0107498   0.0376739   0.0312467   0.0140277
  -0.0084947  -0.0106766  -0.0047535  -0.0030578   0.0205111  -0.0257886
   0.0060069  -0.0034498  -0.0039373  -0.0013786   0.0085892  -0.0004837
  -0.0070534  -0.0117489  -0.0119105   0.0114669  -0.0583264  -0.0013494
   0.0095829  -0.0048891   0.0279987  -0.0167223   0.0023212  -0.0286554
  -0.0023371  -0.0185261   0.0116431  -0.0357691  -0.0309305  -0.0454666
  -0.0019951  -0.0129896   0.0027543  -0.0154310  -0.0119310  -0.0096882
   0.0474112  -0.0188244   0.0354704   0.0086122  -0.0397642   0.0226472
   0.0050493  -0.0351661   0.0088446  -0.0241322  -0.0035817   0.0640240
  -0.0063544   0.0172745   0.0157519  -0.0079423  -0.0206107  -0.0004596
   0.0067316  -0.0082625   0.0036450   0.0011375  -0.0101208   0.0106543
   0.0258177   0.0412313   0.0372833   0.0085811   0.0142148  -0.0365136
  -0.0085823  -0.0088850  -0.0006486  -0.0024208  -0.0482533  -0.0490339
  -0.0086581   0.0499533  -0.0314472  -0.0020061   0.0106754   0.0023004
   0.0183718  -0.0405517   0.0029478  -0.0430735   0.0069631   0.0112163
   0.0112899   0.0081299   0.0016717  -0.0334980   0.0095197   0.0188191
   0.0039974  -0.0181852  -0.0073480   0.0080367  -0.0044494   0.0002739
  -0.0024436   0.0030158   0.0035841   0.0234335   0.0474771   0.0333197
  -0.0092039   0.0179977   0.0061642   0.0167040  -0.0354745  -0.0141972
   0.0085573   0.0187717   0.0109771  -0.0064279   0.0616356  -0.0035382
  -0.0468531  -0.0501430   0.0039212  -0.0012435  -0.0019407  -0.0030132
  -0.0224811  -0.0219796   0.0380049  -0.0157866   0.0337068  -0.0688707
  -0.0196616   0.0119514   0.0075392  -0.0160950  -0.0096637   0.0111573
   0.0160175  -0.0509184   0.0068882   0.0019020  -0.0003044   0.0155206
  -0.0337053   0.0250031   0.0157470   0.0001021   0.0172978   0.0170339
  -0.0082564   0.0064806   0.0048429   0.0383872   0.0521485   0.0182851
   0.0196768   0.0104477  -0.0601596   0.1014035   0.0435628  -0.0224051
  -0.0045459   0.0020561   0.0073181  -0.0083745   0.0083685  -0.0045929
  -0.0101219   0.0034496   0.0039480   0.0567679  -0.0275248  -0.0398204
  -0.0083027   0.0007152  -0.0030706  -0.0171178   0.0173150   0.0550214
  -0.0042216   0.0023173  -0.0059625   0.0289994   0.0371114  -0.0162591
   0.0161358   0.0031951  -0.0047691  -0.0394076   0.0659119  -0.0615480
  -0.0298261  -0.0052568  -0.0324703   0.0532125  -0.0180689   0.0315478
  -0.0018353   0.0075913  -0.0181415   0.0554663   0.0076818  -0.0227767
  -0.0140282   0.0064786  -0.0064537   0.0097074  -0.0002244   0.0127921
  -0.0000625   0.0074217   0.0076826   0.0303318  -0.0064678  -0.0034121
  -0.0094341   0.0050313  -0.0078491  -0.0240810  -0.0205136  -0.0974061
   0.0024668  -0.0017956   0.0075376  -0.0006352  -0.0307075   0.0059525
   0.0189729   0.0283319  -0.0758229   0.0109662  -0.0077487  -0.0045885
  -0.0272972  -0.0238661   0.0372423   0.0006026   0.0234179   0.0051424
   0.0070799  -0.0061368  -0.0001016   0.0309593   0.0237883  -0.0482021
  -0.0075829   0.0131884   0.0240879   0.0002307  -0.0038585  -0.0141278
   0.0329990  -0.0281859   0.0195028  -0.0090752  -0.0002521   0.0050349
   0.0048841  -0.0098267   0.0045630  -0.0401048   0.0089787   0.0235563
  -0.0213457  -0.0472756   0.0138534  -0.0007015   0.0160645   0.0387117
   0.0147137  -0.0139542   0.0085994  -0.0778105   0.0467609   0.0199584
   0.0121186   0.0152178  -0.0140536  -0.0065894   0.0341893   0.0049623
   0.0006103   0.0376451  -0.0098495
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -5.562   6.623  -4.180
    2    H2   GLY   1           H2       GLY   1  -5.967   5.437  -3.124
    3    H3   GLY   1           H3       GLY   1  -7.134   6.248  -3.944
    4    HA2  GLY   1           HA2      GLY   1  -6.830   4.056  -4.904
    5    HA3  GLY   1           HA3      GLY   1  -6.405   5.350  -6.043
    6    H    ILE   2           H        ILE   2  -5.435   2.560  -6.029
    7    HA   ILE   2           HA       ILE   2  -2.702   2.524  -4.962
    8    HB   ILE   2           HB       ILE   2  -3.877   0.472  -4.926
    9   HG12  ILE   2          HG12      ILE   2  -2.060   0.237  -7.345
   10   HG13  ILE   2          HG13      ILE   2  -1.455   0.432  -5.692
   11   HG21  ILE   2          HG21      ILE   2  -5.645   0.899  -6.566
   12   HG22  ILE   2          HG22      ILE   2  -4.448   0.907  -7.885
   13   HG23  ILE   2          HG23      ILE   2  -4.810  -0.577  -6.942
   14   HD11  ILE   2          HD11      ILE   2  -1.328  -1.877  -6.352
   15   HD12  ILE   2          HD12      ILE   2  -2.560  -1.705  -5.073
   16   HD13  ILE   2          HD13      ILE   2  -3.050  -1.943  -6.759
   17    H    VAL   3           H        VAL   3  -4.121   2.879  -8.226
   18    HA   VAL   3           HA       VAL   3  -2.085   3.341  -9.912
   19    HB   VAL   3           HB       VAL   3  -4.271   5.406  -9.502
   20   HG11  VAL   3          HG11      VAL   3  -2.959   4.321 -12.034
   21   HG12  VAL   3          HG12      VAL   3  -4.228   5.560 -11.962
   22   HG13  VAL   3          HG13      VAL   3  -2.638   5.906 -11.295
   23   HG21  VAL   3          HG21      VAL   3  -5.736   4.062 -10.971
   24   HG22  VAL   3          HG22      VAL   3  -4.611   2.709 -10.849
   25   HG23  VAL   3          HG23      VAL   3  -5.476   3.294  -9.416
   26    H    GLU   4           H        GLU   4  -2.984   5.670  -7.342
   27    HA   GLU   4           HA       GLU   4  -1.151   7.648  -8.277
   28    HB2  GLU   4           HB2      GLU   4  -3.048   8.143  -6.790
   29    HB3  GLU   4           HB3      GLU   4  -2.293   7.225  -5.475
   30    HG2  GLU   4           HG2      GLU   4  -0.455   8.811  -5.352
   31    HG3  GLU   4           HG3      GLU   4  -1.011   9.646  -6.807
   32    H    GLN   5           H        GLN   5  -0.700   4.832  -6.284
   33    HA   GLN   5           HA       GLN   5   2.059   5.458  -5.509
   34    HB2  GLN   5           HB2      GLN   5  -0.014   3.870  -4.447
   35    HB3  GLN   5           HB3      GLN   5   1.085   2.685  -5.096
   36    HG2  GLN   5           HG2      GLN   5   1.692   4.871  -3.071
   37    HG3  GLN   5           HG3      GLN   5   1.578   3.144  -2.749
   38   HE21  GLN   5          HE21      GLN   5   3.741   5.702  -3.522
   39   HE22  GLN   5          HE22      GLN   5   5.115   4.707  -3.962
   40    H    CYS   6           H        CYS   6   0.389   3.158  -7.689
   41    HA   CYS   6           HA       CYS   6   2.837   1.887  -8.543
   42    HB2  CYS   6           HB2      CYS   6   0.033   1.696  -9.634
   43    HB3  CYS   6           HB3      CYS   6   1.397   0.681 -10.117
   44    H    CYS   7           H        CYS   7   0.874   4.451 -10.028
   45    HA   CYS   7           HA       CYS   7   2.320   4.290 -12.546
   46    HB2  CYS   7           HB2      CYS   7  -0.027   4.997 -12.374
   47    HB3  CYS   7           HB3      CYS   7   0.396   6.319 -11.331
   48    H    THR   8           H        THR   8   2.650   6.169  -9.513
   49    HA   THR   8           HA       THR   8   4.771   7.902 -10.616
   50    HB   THR   8           HB       THR   8   4.854   8.943  -8.456
   51    HG1  THR   8           HG1      THR   8   2.739   7.608  -7.350
   52   HG21  THR   8          HG21      THR   8   1.954   8.470  -9.267
   53   HG22  THR   8          HG22      THR   8   3.063   9.661  -9.983
   54   HG23  THR   8          HG23      THR   8   2.580   9.810  -8.281
   55    H    SER   9           H        SER   9   4.556   5.168  -8.322
   56    HA   SER   9           HA       SER   9   7.536   5.136  -8.110
   57    HB2  SER   9           HB2      SER   9   5.573   4.004  -6.106
   58    HB3  SER   9           HB3      SER   9   7.317   4.177  -5.941
   59    HG   SER   9           HG       SER   9   5.489   6.339  -6.265
   60    H    ILE  10           H        ILE  10   6.697   2.301  -6.765
   61    HA   ILE  10           HA       ILE  10   6.630   0.766  -9.302
   62    HB   ILE  10           HB       ILE  10   8.426  -0.722  -8.380
   63   HG12  ILE  10          HG12      ILE  10   9.021   1.659  -6.545
   64   HG13  ILE  10          HG13      ILE  10   8.381   0.099  -6.019
   65   HG21  ILE  10          HG21      ILE  10   8.728   0.953 -10.232
   66   HG22  ILE  10          HG22      ILE  10   9.332   2.110  -9.036
   67   HG23  ILE  10          HG23      ILE  10  10.212   0.596  -9.344
   68   HD11  ILE  10          HD11      ILE  10  10.721   0.172  -5.548
   69   HD12  ILE  10          HD12      ILE  10  10.476  -0.997  -6.859
   70   HD13  ILE  10          HD13      ILE  10  11.127   0.629  -7.208
   71    H    CYS  11           H        CYS  11   5.572  -1.100  -9.281
   72    HA   CYS  11           HA       CYS  11   4.548  -2.172  -6.687
   73    HB2  CYS  11           HB2      CYS  11   2.980  -1.428  -9.176
   74    HB3  CYS  11           HB3      CYS  11   2.371  -2.501  -7.915
   75    H    SER  12           H        SER  12   3.602  -4.230  -6.789
   76    HA   SER  12           HA       SER  12   4.398  -6.261  -8.744
   77    HB2  SER  12           HB2      SER  12   6.440  -5.919  -7.379
   78    HB3  SER  12           HB3      SER  12   5.495  -6.173  -5.896
   79    HG   SER  12           HG       SER  12   6.619  -8.066  -6.623
   80    H    LEU  13           H        LEU  13   3.692  -8.521  -7.424
   81    HA   LEU  13           HA       LEU  13   0.905  -8.429  -7.089
   82    HB2  LEU  13           HB2      LEU  13   2.480 -10.441  -5.491
   83    HB3  LEU  13           HB3      LEU  13   0.979 -10.628  -6.351
   84    HG   LEU  13           HG       LEU  13   2.756 -10.228  -8.455
   85   HD11  LEU  13          HD11      LEU  13   4.683 -11.727  -7.952
   86   HD12  LEU  13          HD12      LEU  13   4.184 -11.809  -6.263
   87   HD13  LEU  13          HD13      LEU  13   4.721 -10.265  -6.951
   88   HD21  LEU  13          HD21      LEU  13   2.620 -12.649  -8.794
   89   HD22  LEU  13          HD22      LEU  13   1.051 -12.019  -8.276
   90   HD23  LEU  13          HD23      LEU  13   2.078 -12.879  -7.113
   91    H    TYR  14           H        TYR  14   3.454  -7.972  -4.736
   92    HA   TYR  14           HA       TYR  14   2.074  -7.956  -2.303
   93    HB2  TYR  14           HB2      TYR  14   4.665  -7.432  -3.248
   94    HB3  TYR  14           HB3      TYR  14   4.187  -5.894  -2.581
   95    HD1  TYR  14           HD1      TYR  14   3.916  -5.642  -0.135
   96    HD2  TYR  14           HD2      TYR  14   4.717  -9.489  -1.925
   97    HE1  TYR  14           HE1      TYR  14   4.460  -6.577   2.115
   98    HE2  TYR  14           HE2      TYR  14   5.251 -10.427   0.333
   99    HH   TYR  14           HH       TYR  14   5.441  -9.993   2.581
  100    H    GLN  15           H        GLN  15   1.869  -5.556  -4.846
  101    HA   GLN  15           HA       GLN  15   0.301  -3.704  -3.081
  102    HB2  GLN  15           HB2      GLN  15   1.590  -3.169  -5.769
  103    HB3  GLN  15           HB3      GLN  15   0.648  -2.035  -4.811
  104    HG2  GLN  15           HG2      GLN  15   2.689  -3.059  -3.065
  105    HG3  GLN  15           HG3      GLN  15   3.473  -2.745  -4.599
  106   HE21  GLN  15          HE21      GLN  15   4.333  -0.601  -4.698
  107   HE22  GLN  15          HE22      GLN  15   3.592   0.740  -3.855
  108    H    LEU  16           H        LEU  16   0.316  -5.298  -6.308
  109    HA   LEU  16           HA       LEU  16  -2.283  -4.409  -7.138
  110    HB2  LEU  16           HB2      LEU  16  -0.369  -6.576  -7.992
  111    HB3  LEU  16           HB3      LEU  16  -1.952  -6.353  -8.771
  112    HG   LEU  16           HG       LEU  16  -0.027  -5.430  -9.973
  113   HD11  LEU  16          HD11      LEU  16  -2.564  -4.673 -10.004
  114   HD12  LEU  16          HD12      LEU  16  -1.347  -3.756 -10.874
  115   HD13  LEU  16          HD13      LEU  16  -1.909  -3.207  -9.270
  116   HD21  LEU  16          HD21      LEU  16   1.242  -4.342  -8.238
  117   HD22  LEU  16          HD22      LEU  16  -0.135  -3.270  -7.852
  118   HD23  LEU  16          HD23      LEU  16   0.701  -3.141  -9.421
  119    H    GLU  17           H        GLU  17  -1.394  -7.344  -5.263
  120    HA   GLU  17           HA       GLU  17  -3.817  -8.712  -6.015
  121    HB2  GLU  17           HB2      GLU  17  -1.532  -9.634  -5.160
  122    HB3  GLU  17           HB3      GLU  17  -2.254  -9.441  -3.544
  123    HG2  GLU  17           HG2      GLU  17  -4.196 -10.878  -4.456
  124    HG3  GLU  17           HG3      GLU  17  -3.252 -11.069  -5.933
  125    H    ASN  18           H        ASN  18  -3.464  -6.073  -4.189
  126    HA   ASN  18           HA       ASN  18  -5.712  -6.433  -2.316
  127    HB2  ASN  18           HB2      ASN  18  -4.127  -3.990  -3.240
  128    HB3  ASN  18           HB3      ASN  18  -5.428  -3.918  -2.083
  129   HD21  ASN  18          HD21      ASN  18  -2.089  -4.535  -2.508
  130   HD22  ASN  18          HD22      ASN  18  -1.739  -5.056  -0.855
  131    H    TYR  19           H        TYR  19  -5.400  -5.778  -5.754
  132    HA   TYR  19           HA       TYR  19  -7.902  -4.155  -5.866
  133    HB2  TYR  19           HB2      TYR  19  -5.990  -5.386  -7.857
  134    HB3  TYR  19           HB3      TYR  19  -7.557  -4.786  -8.350
  135    HD1  TYR  19           HD1      TYR  19  -8.153  -2.327  -7.604
  136    HD2  TYR  19           HD2      TYR  19  -4.251  -3.992  -8.143
  137    HE1  TYR  19           HE1      TYR  19  -7.462  -0.269  -8.872
  138    HE2  TYR  19           HE2      TYR  19  -3.631  -2.155  -9.622
  139    HH   TYR  19           HH       TYR  19  -4.322  -0.162 -10.618
  140    H    CYS  20           H        CYS  20  -6.871  -7.517  -6.345
  141    HA   CYS  20           HA       CYS  20  -8.859  -8.404  -7.935
  142    HB2  CYS  20           HB2      CYS  20  -7.927 -10.113  -5.629
  143    HB3  CYS  20           HB3      CYS  20  -8.426 -10.602  -7.271
  144    H    ASN  21           H        ASN  21 -10.956  -9.228  -7.745
  145    HA   ASN  21           HA       ASN  21 -12.270  -8.843  -5.123
  146    HB2  ASN  21           HB2      ASN  21 -14.337  -8.536  -6.295
  147    HB3  ASN  21           HB3      ASN  21 -13.130  -7.472  -6.994
  148   HD21  ASN  21          HD21      ASN  21 -14.678  -8.658  -9.996
  149   HD22  ASN  21          HD22      ASN  21 -14.669  -7.342  -8.833
  150    H    SER  22           H        SER  22 -10.932 -11.267  -6.917
  151    HA   SER  22           HA       SER  22 -12.557 -13.469  -5.741
  152    HB2  SER  22           HB2      SER  22 -11.608 -13.233  -8.631
  153    HB3  SER  22           HB3      SER  22 -12.336 -14.670  -7.897
  154    HG   SER  22           HG       SER  22 -13.533 -12.103  -8.249
  155    H1   PHE   1           H1       PHE   1   8.762 -12.871  -9.978
  156    H2   PHE   1           H2       PHE   1   9.537 -11.780  -9.024
  157    H3   PHE   1           H3       PHE   1  10.008 -11.989 -10.578
  158    HA   PHE   1           HA       PHE   1   7.946 -11.122 -11.411
  159    HB2  PHE   1           HB2      PHE   1   6.759 -11.898  -9.198
  160    HB3  PHE   1           HB3      PHE   1   7.224 -10.332  -8.574
  161    HD1  PHE   1           HD1      PHE   1   6.257  -8.221  -9.665
  162    HD2  PHE   1           HD2      PHE   1   4.927 -12.194 -10.703
  163    HE1  PHE   1           HE1      PHE   1   4.215  -7.276 -10.706
  164    HE2  PHE   1           HE2      PHE   1   2.846 -11.246 -11.648
  165    HZ   PHE   1           HZ       PHE   1   2.483  -8.785 -11.655
  166    H    VAL   2           H        VAL   2   7.832  -8.924 -11.977
  167    HA   VAL   2           HA       VAL   2  10.269  -7.454 -11.174
  168    HB   VAL   2           HB       VAL   2   9.966  -7.976 -13.522
  169   HG11  VAL   2          HG11      VAL   2   7.617  -6.032 -13.574
  170   HG12  VAL   2          HG12      VAL   2   8.366  -6.863 -14.950
  171   HG13  VAL   2          HG13      VAL   2   7.480  -7.797 -13.733
  172   HG21  VAL   2          HG21      VAL   2   9.862  -4.992 -12.981
  173   HG22  VAL   2          HG22      VAL   2  11.298  -6.036 -12.835
  174   HG23  VAL   2          HG23      VAL   2  10.523  -5.796 -14.413
  175    H    LYS   3           H        LYS   3  10.278  -5.691  -9.940
  176    HA   LYS   3           HA       LYS   3   7.784  -4.316  -9.170
  177    HB2  LYS   3           HB2      LYS   3  10.677  -3.688  -8.485
  178    HB3  LYS   3           HB3      LYS   3   9.242  -2.902  -7.814
  179    HG2  LYS   3           HG2      LYS   3   8.483  -5.049  -6.849
  180    HG3  LYS   3           HG3      LYS   3   9.921  -5.865  -7.487
  181    HD2  LYS   3           HD2      LYS   3   9.931  -3.573  -5.476
  182    HD3  LYS   3           HD3      LYS   3  10.091  -5.296  -5.090
  183    HE2  LYS   3           HE2      LYS   3  12.160  -5.399  -6.485
  184    HE3  LYS   3           HE3      LYS   3  12.028  -3.661  -6.793
  185    HZ1  LYS   3           HZ1      LYS   3  12.380  -4.886  -4.107
  186    HZ2  LYS   3           HZ2      LYS   3  12.252  -3.281  -4.393
  187    HZ3  LYS   3           HZ3      LYS   3  13.539  -4.109  -4.949
  188    H    GLN   4           H        GLN   4   6.907  -2.784 -10.426
  189    HA   GLN   4           HA       GLN   4   8.667  -1.145 -12.203
  190    HB2  GLN   4           HB2      GLN   4   7.980  -3.393 -13.206
  191    HB3  GLN   4           HB3      GLN   4   6.321  -2.774 -13.246
  192    HG2  GLN   4           HG2      GLN   4   6.845  -1.190 -14.922
  193    HG3  GLN   4           HG3      GLN   4   8.575  -1.203 -14.528
  194   HE21  GLN   4          HE21      GLN   4   7.230  -4.443 -16.708
  195   HE22  GLN   4          HE22      GLN   4   6.143  -3.759 -15.512
  196    H    HIS   5           H        HIS   5   7.788   0.664 -13.136
  197    HA   HIS   5           HA       HIS   5   5.534   1.974 -11.806
  198    HB2  HIS   5           HB2      HIS   5   6.219   3.776 -13.591
  199    HB3  HIS   5           HB3      HIS   5   7.222   3.507 -12.181
  200    HD1  HIS   5           HD1      HIS   5   9.727   3.206 -12.662
  201    HD2  HIS   5           HD2      HIS   5   7.239   2.165 -15.890
  202    HE1  HIS   5           HE1      HIS   5  11.280   2.561 -14.579
  203    H    LEU   6           H        LEU   6   3.510   1.990 -12.488
  204    HA   LEU   6           HA       LEU   6   2.862   1.422 -15.345
  205    HB2  LEU   6           HB2      LEU   6   1.592  -0.107 -13.058
  206    HB3  LEU   6           HB3      LEU   6   1.421  -0.373 -14.769
  207    HG   LEU   6           HG       LEU   6   4.041  -0.798 -13.380
  208   HD11  LEU   6          HD11      LEU   6   2.383  -2.153 -12.278
  209   HD12  LEU   6          HD12      LEU   6   3.491  -3.136 -13.238
  210   HD13  LEU   6          HD13      LEU   6   1.850  -2.798 -13.844
  211   HD21  LEU   6          HD21      LEU   6   4.629  -2.215 -15.189
  212   HD22  LEU   6          HD22      LEU   6   4.049  -0.729 -15.950
  213   HD23  LEU   6          HD23      LEU   6   3.005  -2.176 -15.872
  214    H    CYS   7           H        CYS   7   1.206   2.490 -16.063
  215    HA   CYS   7           HA       CYS   7  -0.692   3.893 -14.215
  216    HB2  CYS   7           HB2      CYS   7   0.394   4.788 -16.901
  217    HB3  CYS   7           HB3      CYS   7  -0.662   5.710 -15.839
  218    H    GLY   8           H        GLY   8  -2.801   3.218 -14.546
  219    HA2  GLY   8           HA2      GLY   8  -4.726   2.475 -15.587
  220    HA3  GLY   8           HA3      GLY   8  -4.084   3.196 -17.059
  221    H    SER   9           H        SER   9  -3.734   1.829 -18.728
  222    HA   SER   9           HA       SER   9  -4.341  -0.908 -18.754
  223    HB2  SER   9           HB2      SER   9  -2.444   0.635 -20.587
  224    HB3  SER   9           HB3      SER   9  -3.281  -0.882 -20.983
  225    HG   SER   9           HG       SER   9  -4.388   0.964 -21.816
  226    H    HIS  10           H        HIS  10  -1.073   0.574 -18.348
  227    HA   HIS  10           HA       HIS  10   0.381  -1.958 -18.365
  228    HB2  HIS  10           HB2      HIS  10   0.974   0.709 -17.016
  229    HB3  HIS  10           HB3      HIS  10   2.121  -0.605 -17.139
  230    HD1  HIS  10           HD1      HIS  10   2.899  -1.141 -19.854
  231    HD2  HIS  10           HD2      HIS  10   0.771   2.356 -18.925
  232    HE1  HIS  10           HE1      HIS  10   3.191   0.409 -21.859
  233    H    LEU  11           H        LEU  11  -1.323  -0.096 -15.892
  234    HA   LEU  11           HA       LEU  11  -0.192  -1.517 -13.646
  235    HB2  LEU  11           HB2      LEU  11  -1.352   0.903 -13.967
  236    HB3  LEU  11           HB3      LEU  11  -2.793  -0.001 -13.545
  237    HG   LEU  11           HG       LEU  11  -0.288   0.494 -11.877
  238   HD11  LEU  11          HD11      LEU  11  -1.876   2.256 -11.806
  239   HD12  LEU  11          HD12      LEU  11  -2.116   1.306 -10.306
  240   HD13  LEU  11          HD13      LEU  11  -3.242   1.138 -11.670
  241   HD21  LEU  11          HD21      LEU  11  -1.461  -0.840 -10.083
  242   HD22  LEU  11          HD22      LEU  11  -0.730  -1.752 -11.397
  243   HD23  LEU  11          HD23      LEU  11  -2.497  -1.499 -11.382
  244    H    VAL  12           H        VAL  12  -3.230  -1.629 -15.486
  245    HA   VAL  12           HA       VAL  12  -4.360  -3.977 -14.280
  246    HB   VAL  12           HB       VAL  12  -4.700  -2.830 -17.074
  247   HG11  VAL  12          HG11      VAL  12  -6.158  -5.160 -15.778
  248   HG12  VAL  12          HG12      VAL  12  -6.765  -4.267 -17.191
  249   HG13  VAL  12          HG13      VAL  12  -5.255  -5.166 -17.304
  250   HG21  VAL  12          HG21      VAL  12  -6.900  -2.134 -16.173
  251   HG22  VAL  12          HG22      VAL  12  -6.490  -2.865 -14.609
  252   HG23  VAL  12          HG23      VAL  12  -5.588  -1.456 -15.202
  253    H    GLU  13           H        GLU  13  -1.703  -3.611 -16.722
  254    HA   GLU  13           HA       GLU  13  -1.781  -6.372 -17.510
  255    HB2  GLU  13           HB2      GLU  13  -0.569  -4.349 -18.644
  256    HB3  GLU  13           HB3      GLU  13   0.725  -4.682 -17.496
  257    HG2  GLU  13           HG2      GLU  13   1.318  -5.759 -19.497
  258    HG3  GLU  13           HG3      GLU  13   0.842  -7.039 -18.402
  259    H    ALA  14           H        ALA  14  -0.520  -4.772 -14.628
  260    HA   ALA  14           HA       ALA  14   0.831  -7.259 -13.686
  261    HB1  ALA  14           HB1      ALA  14   1.281  -5.917 -11.693
  262    HB2  ALA  14           HB2      ALA  14   1.895  -5.128 -13.174
  263    HB3  ALA  14           HB3      ALA  14   0.415  -4.527 -12.418
  264    H    LEU  15           H        LEU  15  -2.007  -5.215 -12.820
  265    HA   LEU  15           HA       LEU  15  -3.133  -6.656 -10.802
  266    HB2  LEU  15           HB2      LEU  15  -3.720  -4.447 -12.227
  267    HB3  LEU  15           HB3      LEU  15  -4.842  -5.549 -13.036
  268    HG   LEU  15           HG       LEU  15  -4.736  -4.794 -10.136
  269   HD11  LEU  15          HD11      LEU  15  -6.697  -4.260 -12.385
  270   HD12  LEU  15          HD12      LEU  15  -5.666  -3.072 -11.589
  271   HD13  LEU  15          HD13      LEU  15  -6.993  -3.826 -10.682
  272   HD21  LEU  15          HD21      LEU  15  -6.417  -6.846 -11.529
  273   HD22  LEU  15          HD22      LEU  15  -6.807  -6.126  -9.935
  274   HD23  LEU  15          HD23      LEU  15  -5.314  -7.004 -10.134
  275    H    TYR  16           H        TYR  16  -3.719  -7.143 -14.251
  276    HA   TYR  16           HA       TYR  16  -5.627  -9.289 -14.133
  277    HB2  TYR  16           HB2      TYR  16  -5.094  -7.548 -15.927
  278    HB3  TYR  16           HB3      TYR  16  -3.656  -8.467 -16.340
  279    HD1  TYR  16           HD1      TYR  16  -4.366 -11.150 -16.868
  280    HD2  TYR  16           HD2      TYR  16  -6.678  -7.564 -17.485
  281    HE1  TYR  16           HE1      TYR  16  -5.716 -12.329 -18.572
  282    HE2  TYR  16           HE2      TYR  16  -8.061  -8.758 -19.189
  283    HH   TYR  16           HH       TYR  16  -8.427 -10.732 -20.306
  284    H    LEU  17           H        LEU  17  -2.168  -9.267 -13.894
  285    HA   LEU  17           HA       LEU  17  -1.840 -12.137 -14.493
  286    HB2  LEU  17           HB2      LEU  17  -0.224 -10.375 -15.248
  287    HB3  LEU  17           HB3      LEU  17   0.048  -9.904 -13.603
  288    HG   LEU  17           HG       LEU  17   1.021 -11.959 -12.951
  289   HD11  LEU  17          HD11      LEU  17   1.652 -13.705 -14.653
  290   HD12  LEU  17          HD12      LEU  17   0.625 -12.871 -15.843
  291   HD13  LEU  17          HD13      LEU  17  -0.089 -13.614 -14.397
  292   HD21  LEU  17          HD21      LEU  17   2.246 -10.950 -15.567
  293   HD22  LEU  17          HD22      LEU  17   3.103 -11.801 -14.259
  294   HD23  LEU  17          HD23      LEU  17   2.434 -10.183 -13.976
  295    H    VAL  18           H        VAL  18  -1.581  -9.807 -11.870
  296    HA   VAL  18           HA       VAL  18  -0.872 -11.513  -9.692
  297    HB   VAL  18           HB       VAL  18  -2.074  -8.701  -9.939
  298   HG11  VAL  18          HG11      VAL  18  -1.293  -8.544  -7.514
  299   HG12  VAL  18          HG12      VAL  18  -2.763  -9.480  -7.786
  300   HG13  VAL  18          HG13      VAL  18  -1.214 -10.310  -7.494
  301   HG21  VAL  18          HG21      VAL  18   0.241  -8.045  -9.458
  302   HG22  VAL  18          HG22      VAL  18   0.667  -9.722  -9.050
  303   HG23  VAL  18          HG23      VAL  18   0.344  -9.276 -10.712
  304    H    CYS  19           H        CYS  19  -3.941 -10.441 -10.986
  305    HA   CYS  19           HA       CYS  19  -5.498 -12.091  -9.054
  306    HB2  CYS  19           HB2      CYS  19  -6.411 -10.124 -11.157
  307    HB3  CYS  19           HB3      CYS  19  -7.445 -10.929  -9.957
  308    H    GLY  20           H        GLY  20  -4.093 -12.436 -12.105
  309    HA2  GLY  20           HA2      GLY  20  -4.112 -14.135 -13.628
  310    HA3  GLY  20           HA3      GLY  20  -4.664 -15.153 -12.289
  311    H    GLU  21           H        GLU  21  -6.198 -12.533 -14.107
  312    HA   GLU  21           HA       GLU  21  -8.295 -12.167 -14.784
  313    HB2  GLU  21           HB2      GLU  21  -9.009 -13.332 -16.680
  314    HB3  GLU  21           HB3      GLU  21  -7.258 -13.169 -16.705
  315    HG2  GLU  21           HG2      GLU  21  -6.946 -15.510 -16.197
  316    HG3  GLU  21           HG3      GLU  21  -8.669 -15.735 -15.887
  317    H    ARG  22           H        ARG  22  -8.211 -13.958 -12.290
  318    HA   ARG  22           HA       ARG  22 -10.793 -15.285 -12.168
  319    HB2  ARG  22           HB2      ARG  22  -9.224 -14.015  -9.896
  320    HB3  ARG  22           HB3      ARG  22 -10.541 -15.180  -9.730
  321    HG2  ARG  22           HG2      ARG  22  -9.144 -16.902 -10.880
  322    HG3  ARG  22           HG3      ARG  22  -7.800 -15.761 -10.927
  323    HD2  ARG  22           HD2      ARG  22  -9.144 -16.975  -8.500
  324    HD3  ARG  22           HD3      ARG  22  -7.475 -17.193  -9.003
  325    HE   ARG  22           HE       ARG  22  -8.687 -14.827  -7.636
  326   HH11  ARG  22          HH11      ARG  22  -5.666 -16.073  -8.932
  327   HH12  ARG  22          HH12      ARG  22  -4.754 -14.806  -8.145
  328   HH21  ARG  22          HH21      ARG  22  -7.611 -13.368  -6.794
  329   HH22  ARG  22          HH22      ARG  22  -5.844 -13.282  -6.869
  330    H    GLY  23           H        GLY  23  -9.740 -12.086 -11.031
  331    HA2  GLY  23           HA2      GLY  23 -11.429 -10.439 -12.195
  332    HA3  GLY  23           HA3      GLY  23 -12.528 -11.032 -10.960
  333    H    PHE  24           H        PHE  24 -11.840  -8.418 -11.312
  334    HA   PHE  24           HA       PHE  24 -10.678  -7.370  -8.850
  335    HB2  PHE  24           HB2      PHE  24  -8.912  -6.161 -10.039
  336    HB3  PHE  24           HB3      PHE  24  -8.625  -7.885  -9.995
  337    HD1  PHE  24           HD1      PHE  24  -8.978  -9.302 -12.067
  338    HD2  PHE  24           HD2      PHE  24  -8.850  -5.001 -12.123
  339    HE1  PHE  24           HE1      PHE  24  -8.462  -9.355 -14.482
  340    HE2  PHE  24           HE2      PHE  24  -8.113  -5.058 -14.514
  341    HZ   PHE  24           HZ       PHE  24  -8.018  -7.232 -15.703
  342    H    PHE  25           H        PHE  25 -10.614  -5.001  -8.860
  343    HA   PHE  25           HA       PHE  25 -12.283  -3.651 -10.940
  344    HB2  PHE  25           HB2      PHE  25 -12.410  -3.266  -7.917
  345    HB3  PHE  25           HB3      PHE  25 -13.071  -2.134  -9.089
  346    HD1  PHE  25           HD1      PHE  25 -13.833  -4.968  -7.087
  347    HD2  PHE  25           HD2      PHE  25 -14.731  -3.066 -10.844
  348    HE1  PHE  25           HE1      PHE  25 -16.012  -6.183  -7.175
  349    HE2  PHE  25           HE2      PHE  25 -16.901  -4.309 -10.951
  350    HZ   PHE  25           HZ       PHE  25 -17.533  -5.860  -9.116
  351    H    TYR  26           H        TYR  26 -10.734  -2.654 -12.049
  352    HA   TYR  26           HA       TYR  26  -8.318  -1.540 -10.873
  353    HB2  TYR  26           HB2      TYR  26  -7.892  -0.888 -13.279
  354    HB3  TYR  26           HB3      TYR  26  -8.135  -2.593 -12.969
  355    HD1  TYR  26           HD1      TYR  26 -10.047  -3.807 -13.771
  356    HD2  TYR  26           HD2      TYR  26  -9.668   0.429 -14.483
  357    HE1  TYR  26           HE1      TYR  26 -11.999  -3.901 -15.308
  358    HE2  TYR  26           HE2      TYR  26 -11.592   0.330 -16.070
  359    HH   TYR  26           HH       TYR  26 -13.357  -2.713 -16.748
  360    H    THR  27           H        THR  27 -11.401  -0.274 -10.839
  361    HA   THR  27           HA       THR  27 -11.234   2.326 -11.756
  362    HB   THR  27           HB       THR  27 -12.667   1.632  -9.185
  363    HG1  THR  27           HG1      THR  27 -14.315   0.822 -10.514
  364   HG21  THR  27          HG21      THR  27 -14.381   3.131 -10.107
  365   HG22  THR  27          HG22      THR  27 -13.435   3.336 -11.602
  366   HG23  THR  27          HG23      THR  27 -12.823   3.971 -10.068
  367    HA   PRO  28           HA       PRO  28  -8.020   3.952  -9.116
  368    HB2  PRO  28           HB2      PRO  28  -9.087   6.661  -9.913
  369    HB3  PRO  28           HB3      PRO  28  -7.399   6.067  -9.930
  370    HG2  PRO  28           HG2      PRO  28  -8.807   6.199 -12.232
  371    HG3  PRO  28           HG3      PRO  28  -7.811   4.745 -11.889
  372    HD2  PRO  28           HD2      PRO  28 -10.796   5.099 -11.521
  373    HD3  PRO  28           HD3      PRO  28  -9.874   3.749 -12.259
  374    H    LYS  29           H        LYS  29 -11.311   5.122  -8.636
  375    HA   LYS  29           HA       LYS  29 -10.933   5.392  -5.736
  376    HB2  LYS  29           HB2      LYS  29 -10.484   7.655  -6.708
  377    HB3  LYS  29           HB3      LYS  29 -12.012   7.582  -7.581
  378    HG2  LYS  29           HG2      LYS  29 -12.336   8.999  -5.691
  379    HG3  LYS  29           HG3      LYS  29 -13.229   7.518  -5.423
  380    HD2  LYS  29           HD2      LYS  29 -10.849   6.887  -4.165
  381    HD3  LYS  29           HD3      LYS  29 -10.863   8.635  -3.958
  382    HE2  LYS  29           HE2      LYS  29 -13.114   6.716  -3.226
  383    HE3  LYS  29           HE3      LYS  29 -11.913   7.331  -2.086
  384    HZ1  LYS  29           HZ1      LYS  29 -12.765   9.605  -2.597
  385    HZ2  LYS  29           HZ2      LYS  29 -13.907   8.656  -1.928
  386    HZ3  LYS  29           HZ3      LYS  29 -13.959   8.957  -3.531
  387    H    THR  30           H        THR  30 -12.825   4.939  -4.585
  388    HA   THR  30           HA       THR  30 -14.790   3.286  -5.845
  389    HB   THR  30           HB       THR  30 -15.933   3.465  -3.571
  390    HG1  THR  30           HG1      THR  30 -14.697   4.498  -1.980
  391   HG21  THR  30          HG21      THR  30 -14.197   2.213  -2.381
  392   HG22  THR  30          HG22      THR  30 -12.956   2.784  -3.513
  393   HG23  THR  30          HG23      THR  30 -14.246   1.699  -4.071
  394    H    ARG  31           H        ARG  31 -15.102   6.563  -4.484
  395    HA   ARG  31           HA       ARG  31 -17.337   7.230  -6.327
  396    HB2  ARG  31           HB2      ARG  31 -17.397   7.598  -3.300
  397    HB3  ARG  31           HB3      ARG  31 -18.513   8.368  -4.442
  398    HG2  ARG  31           HG2      ARG  31 -19.260   6.112  -5.213
  399    HG3  ARG  31           HG3      ARG  31 -18.231   5.365  -3.969
  400    HD2  ARG  31           HD2      ARG  31 -19.501   6.572  -2.202
  401    HD3  ARG  31           HD3      ARG  31 -20.501   7.323  -3.437
  402    HE   ARG  31           HE       ARG  31 -21.667   5.343  -3.776
  403   HH11  ARG  31          HH11      ARG  31 -22.430   3.335  -3.217
  404   HH12  ARG  31          HH12      ARG  31 -21.554   2.365  -2.069
  405   HH21  ARG  31          HH21      ARG  31 -19.019   4.620  -1.601
  406   HH22  ARG  31          HH22      ARG  31 -19.671   3.053  -1.189
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -5.814   4.340  -2.819
    2    H2   GLY   1           H2       GLY   1  -6.805   5.543  -3.327
    3    H3   GLY   1           H3       GLY   1  -5.194   5.822  -3.169
    4    HA2  GLY   1           HA2      GLY   1  -6.451   3.995  -5.123
    5    HA3  GLY   1           HA3      GLY   1  -5.809   5.604  -5.494
    6    H    ILE   2           H        ILE   2  -5.094   2.385  -5.705
    7    HA   ILE   2           HA       ILE   2  -2.280   2.312  -4.872
    8    HB   ILE   2           HB       ILE   2  -3.600   0.302  -4.799
    9   HG12  ILE   2          HG12      ILE   2  -1.731   0.013  -7.192
   10   HG13  ILE   2          HG13      ILE   2  -1.171   0.152  -5.516
   11   HG21  ILE   2          HG21      ILE   2  -4.579  -0.709  -6.808
   12   HG22  ILE   2          HG22      ILE   2  -5.320   0.836  -6.495
   13   HG23  ILE   2          HG23      ILE   2  -4.095   0.726  -7.772
   14   HD11  ILE   2          HD11      ILE   2  -2.841  -2.118  -6.703
   15   HD12  ILE   2          HD12      ILE   2  -1.154  -2.145  -6.153
   16   HD13  ILE   2          HD13      ILE   2  -2.460  -1.941  -4.976
   17    H    VAL   3           H        VAL   3  -3.971   2.822  -7.978
   18    HA   VAL   3           HA       VAL   3  -2.087   3.252  -9.823
   19    HB   VAL   3           HB       VAL   3  -4.139   5.375  -9.099
   20   HG11  VAL   3          HG11      VAL   3  -4.293   5.709 -11.547
   21   HG12  VAL   3          HG12      VAL   3  -2.651   6.006 -10.977
   22   HG13  VAL   3          HG13      VAL   3  -3.040   4.480 -11.803
   23   HG21  VAL   3          HG21      VAL   3  -5.380   3.260  -9.096
   24   HG22  VAL   3          HG22      VAL   3  -5.755   4.172 -10.545
   25   HG23  VAL   3          HG23      VAL   3  -4.644   2.805 -10.648
   26    H    GLU   4           H        GLU   4  -2.525   5.471  -7.030
   27    HA   GLU   4           HA       GLU   4  -0.647   7.345  -8.133
   28    HB2  GLU   4           HB2      GLU   4  -2.296   7.910  -6.350
   29    HB3  GLU   4           HB3      GLU   4  -1.375   6.930  -5.199
   30    HG2  GLU   4           HG2      GLU   4   0.583   8.407  -5.478
   31    HG3  GLU   4           HG3      GLU   4  -0.267   9.334  -6.713
   32    H    GLN   5           H        GLN   5  -0.305   4.591  -5.933
   33    HA   GLN   5           HA       GLN   5   2.533   4.835  -5.457
   34    HB2  GLN   5           HB2      GLN   5   0.266   3.255  -4.556
   35    HB3  GLN   5           HB3      GLN   5   1.546   2.154  -4.991
   36    HG2  GLN   5           HG2      GLN   5   1.836   4.533  -3.088
   37    HG3  GLN   5           HG3      GLN   5   1.502   2.884  -2.584
   38   HE21  GLN   5          HE21      GLN   5   4.059   5.069  -3.715
   39   HE22  GLN   5          HE22      GLN   5   5.347   3.902  -3.455
   40    H    CYS   6           H        CYS   6   0.583   2.966  -7.781
   41    HA   CYS   6           HA       CYS   6   2.843   1.500  -8.843
   42    HB2  CYS   6           HB2      CYS   6  -0.059   1.792  -9.622
   43    HB3  CYS   6           HB3      CYS   6   1.115   1.014 -10.684
   44    H    CYS   7           H        CYS   7   0.941   4.320 -10.035
   45    HA   CYS   7           HA       CYS   7   2.330   4.256 -12.570
   46    HB2  CYS   7           HB2      CYS   7  -0.035   4.845 -12.382
   47    HB3  CYS   7           HB3      CYS   7   0.320   6.178 -11.325
   48    H    THR   8           H        THR   8   2.508   6.359  -9.629
   49    HA   THR   8           HA       THR   8   4.574   8.072 -10.885
   50    HB   THR   8           HB       THR   8   4.547   9.449  -9.029
   51    HG1  THR   8           HG1      THR   8   2.928   7.632  -7.592
   52   HG21  THR   8          HG21      THR   8   2.497   9.612 -10.406
   53   HG22  THR   8          HG22      THR   8   2.230  10.086  -8.716
   54   HG23  THR   8          HG23      THR   8   1.669   8.502  -9.294
   55    H    SER   9           H        SER   9   4.448   5.455  -8.506
   56    HA   SER   9           HA       SER   9   7.425   5.559  -8.281
   57    HB2  SER   9           HB2      SER   9   5.566   4.480  -6.159
   58    HB3  SER   9           HB3      SER   9   7.316   4.677  -6.073
   59    HG   SER   9           HG       SER   9   5.451   6.814  -6.405
   60    H    ILE  10           H        ILE  10   6.647   2.763  -6.816
   61    HA   ILE  10           HA       ILE  10   6.468   1.121  -9.266
   62    HB   ILE  10           HB       ILE  10   8.338  -0.322  -8.400
   63   HG12  ILE  10          HG12      ILE  10   9.038   2.121  -6.697
   64   HG13  ILE  10          HG13      ILE  10   8.401   0.602  -6.073
   65   HG21  ILE  10          HG21      ILE  10  10.068   0.935  -9.508
   66   HG22  ILE  10          HG22      ILE  10   8.544   1.291 -10.327
   67   HG23  ILE  10          HG23      ILE  10   9.233   2.471  -9.198
   68   HD11  ILE  10          HD11      ILE  10  11.084   1.022  -7.426
   69   HD12  ILE  10          HD12      ILE  10  10.764   0.660  -5.724
   70   HD13  ILE  10          HD13      ILE  10  10.425  -0.573  -6.959
   71    H    CYS  11           H        CYS  11   5.593  -0.892  -9.010
   72    HA   CYS  11           HA       CYS  11   4.787  -1.819  -6.298
   73    HB2  CYS  11           HB2      CYS  11   2.473  -1.940  -6.935
   74    HB3  CYS  11           HB3      CYS  11   3.061  -0.294  -7.055
   75    H    SER  12           H        SER  12   3.484  -3.937  -6.534
   76    HA   SER  12           HA       SER  12   4.401  -5.800  -8.596
   77    HB2  SER  12           HB2      SER  12   5.685  -7.195  -7.074
   78    HB3  SER  12           HB3      SER  12   6.364  -5.560  -7.015
   79    HG   SER  12           HG       SER  12   6.103  -6.344  -4.916
   80    H    LEU  13           H        LEU  13   3.704  -8.252  -7.475
   81    HA   LEU  13           HA       LEU  13   0.908  -8.062  -7.190
   82    HB2  LEU  13           HB2      LEU  13   0.965 -10.385  -7.125
   83    HB3  LEU  13           HB3      LEU  13   2.331  -9.935  -8.153
   84    HG   LEU  13           HG       LEU  13   2.538 -10.748  -5.278
   85   HD11  LEU  13          HD11      LEU  13   3.137 -12.327  -7.814
   86   HD12  LEU  13          HD12      LEU  13   1.760 -12.598  -6.728
   87   HD13  LEU  13          HD13      LEU  13   3.404 -12.888  -6.151
   88   HD21  LEU  13          HD21      LEU  13   4.698 -10.303  -7.326
   89   HD22  LEU  13          HD22      LEU  13   4.939 -11.112  -5.773
   90   HD23  LEU  13          HD23      LEU  13   4.466  -9.422  -5.803
   91    H    TYR  14           H        TYR  14   3.406  -7.750  -4.851
   92    HA   TYR  14           HA       TYR  14   1.910  -8.342  -2.476
   93    HB2  TYR  14           HB2      TYR  14   4.543  -7.693  -3.137
   94    HB3  TYR  14           HB3      TYR  14   4.008  -6.259  -2.302
   95    HD1  TYR  14           HD1      TYR  14   4.536  -9.905  -2.108
   96    HD2  TYR  14           HD2      TYR  14   3.505  -6.373   0.132
   97    HE1  TYR  14           HE1      TYR  14   4.896 -11.153   0.039
   98    HE2  TYR  14           HE2      TYR  14   3.857  -7.607   2.266
   99    HH   TYR  14           HH       TYR  14   4.442  -9.599   3.239
  100    H    GLN  15           H        GLN  15   1.753  -5.691  -4.718
  101    HA   GLN  15           HA       GLN  15   0.053  -4.068  -2.865
  102    HB2  GLN  15           HB2      GLN  15   1.286  -3.227  -5.495
  103    HB3  GLN  15           HB3      GLN  15   0.342  -2.261  -4.346
  104    HG2  GLN  15           HG2      GLN  15   2.205  -3.045  -2.627
  105    HG3  GLN  15           HG3      GLN  15   3.164  -3.327  -4.071
  106   HE21  GLN  15          HE21      GLN  15   3.908  -1.388  -2.108
  107   HE22  GLN  15          HE22      GLN  15   3.691   0.204  -2.847
  108    H    LEU  16           H        LEU  16   0.239  -5.241  -6.268
  109    HA   LEU  16           HA       LEU  16  -2.346  -4.460  -7.092
  110    HB2  LEU  16           HB2      LEU  16  -0.389  -6.548  -8.007
  111    HB3  LEU  16           HB3      LEU  16  -1.954  -6.322  -8.811
  112    HG   LEU  16           HG       LEU  16   0.022  -5.370  -9.906
  113   HD11  LEU  16          HD11      LEU  16  -1.281  -3.727 -10.878
  114   HD12  LEU  16          HD12      LEU  16  -1.891  -3.145  -9.312
  115   HD13  LEU  16          HD13      LEU  16  -2.534  -4.622 -10.033
  116   HD21  LEU  16          HD21      LEU  16  -0.174  -3.257  -7.763
  117   HD22  LEU  16          HD22      LEU  16   0.631  -3.084  -9.339
  118   HD23  LEU  16          HD23      LEU  16   1.251  -4.250  -8.194
  119    H    GLU  17           H        GLU  17  -1.511  -7.473  -5.295
  120    HA   GLU  17           HA       GLU  17  -3.981  -8.753  -6.086
  121    HB2  GLU  17           HB2      GLU  17  -1.742  -9.801  -5.199
  122    HB3  GLU  17           HB3      GLU  17  -2.536  -9.626  -3.613
  123    HG2  GLU  17           HG2      GLU  17  -4.534 -10.858  -4.720
  124    HG3  GLU  17           HG3      GLU  17  -3.479 -11.105  -6.115
  125    H    ASN  18           H        ASN  18  -3.524  -6.149  -4.177
  126    HA   ASN  18           HA       ASN  18  -5.828  -6.531  -2.361
  127    HB2  ASN  18           HB2      ASN  18  -4.169  -4.075  -3.112
  128    HB3  ASN  18           HB3      ASN  18  -5.537  -4.021  -2.041
  129   HD21  ASN  18          HD21      ASN  18  -1.975  -5.433  -0.652
  130   HD22  ASN  18          HD22      ASN  18  -2.218  -4.986  -2.344
  131    H    TYR  19           H        TYR  19  -5.437  -5.771  -5.771
  132    HA   TYR  19           HA       TYR  19  -7.904  -4.107  -5.863
  133    HB2  TYR  19           HB2      TYR  19  -6.023  -5.347  -7.870
  134    HB3  TYR  19           HB3      TYR  19  -7.585  -4.717  -8.360
  135    HD1  TYR  19           HD1      TYR  19  -8.131  -2.249  -7.515
  136    HD2  TYR  19           HD2      TYR  19  -4.273  -3.997  -8.169
  137    HE1  TYR  19           HE1      TYR  19  -7.342  -0.127  -8.645
  138    HE2  TYR  19           HE2      TYR  19  -3.624  -2.119  -9.590
  139    HH   TYR  19           HH       TYR  19  -4.289  -0.063 -10.506
  140    H    CYS  20           H        CYS  20  -6.941  -7.485  -6.428
  141    HA   CYS  20           HA       CYS  20  -8.976  -8.294  -7.960
  142    HB2  CYS  20           HB2      CYS  20  -8.025 -10.045  -5.708
  143    HB3  CYS  20           HB3      CYS  20  -8.574 -10.515  -7.341
  144    H    ASN  21           H        ASN  21 -10.999  -9.373  -7.693
  145    HA   ASN  21           HA       ASN  21 -12.534  -8.147  -5.567
  146    HB2  ASN  21           HB2      ASN  21 -13.318  -9.924  -7.925
  147    HB3  ASN  21           HB3      ASN  21 -14.491  -9.271  -6.779
  148   HD21  ASN  21          HD21      ASN  21 -14.836  -8.709  -9.428
  149   HD22  ASN  21          HD22      ASN  21 -14.458  -7.014  -9.701
  150    H    SER  22           H        SER  22 -13.550  -9.058  -3.871
  151    HA   SER  22           HA       SER  22 -13.442 -11.981  -3.358
  152    HB2  SER  22           HB2      SER  22 -12.706 -11.580  -1.051
  153    HB3  SER  22           HB3      SER  22 -11.490 -11.094  -2.249
  154    HG   SER  22           HG       SER  22 -11.780  -9.489  -0.592
  155    H1   PHE   1           H1       PHE   1   9.569 -12.673  -8.912
  156    H2   PHE   1           H2       PHE   1  10.220 -11.432  -8.060
  157    H3   PHE   1           H3       PHE   1  10.734 -11.734  -9.585
  158    HA   PHE   1           HA       PHE   1   8.620 -11.160 -10.516
  159    HB2  PHE   1           HB2      PHE   1   7.427 -11.875  -8.296
  160    HB3  PHE   1           HB3      PHE   1   7.753 -10.254  -7.742
  161    HD1  PHE   1           HD1      PHE   1   5.638 -12.400  -9.759
  162    HD2  PHE   1           HD2      PHE   1   6.708  -8.280  -9.027
  163    HE1  PHE   1           HE1      PHE   1   3.459 -11.666 -10.677
  164    HE2  PHE   1           HE2      PHE   1   4.544  -7.558 -10.002
  165    HZ   PHE   1           HZ       PHE   1   2.879  -9.257 -10.720
  166    H    VAL   2           H        VAL   2   8.242  -9.043 -11.253
  167    HA   VAL   2           HA       VAL   2  10.554  -7.276 -10.694
  168    HB   VAL   2           HB       VAL   2   8.552  -7.161 -12.979
  169   HG11  VAL   2          HG11      VAL   2  10.312  -5.807 -14.082
  170   HG12  VAL   2          HG12      VAL   2   9.740  -5.025 -12.600
  171   HG13  VAL   2          HG13      VAL   2  11.298  -5.889 -12.603
  172   HG21  VAL   2          HG21      VAL   2  11.338  -8.420 -12.865
  173   HG22  VAL   2          HG22      VAL   2   9.801  -9.285 -13.110
  174   HG23  VAL   2          HG23      VAL   2  10.385  -8.167 -14.340
  175    H    LYS   3           H        LYS   3  10.365  -5.555  -9.419
  176    HA   LYS   3           HA       LYS   3   7.803  -4.224  -8.840
  177    HB2  LYS   3           HB2      LYS   3  10.655  -3.397  -8.165
  178    HB3  LYS   3           HB3      LYS   3   9.176  -2.644  -7.550
  179    HG2  LYS   3           HG2      LYS   3   8.542  -4.747  -6.422
  180    HG3  LYS   3           HG3      LYS   3   9.994  -5.541  -7.067
  181    HD2  LYS   3           HD2      LYS   3  11.403  -3.835  -5.864
  182    HD3  LYS   3           HD3      LYS   3   9.923  -3.207  -5.111
  183    HE2  LYS   3           HE2      LYS   3   9.450  -5.466  -4.181
  184    HE3  LYS   3           HE3      LYS   3  10.910  -6.093  -4.975
  185    HZ1  LYS   3           HZ1      LYS   3  12.227  -4.587  -3.571
  186    HZ2  LYS   3           HZ2      LYS   3  11.320  -5.567  -2.636
  187    HZ3  LYS   3           HZ3      LYS   3  10.872  -4.012  -2.850
  188    H    GLN   4           H        GLN   4   6.908  -2.705 -10.159
  189    HA   GLN   4           HA       GLN   4   8.648  -1.231 -12.083
  190    HB2  GLN   4           HB2      GLN   4   7.855  -3.553 -12.877
  191    HB3  GLN   4           HB3      GLN   4   6.238  -2.852 -12.976
  192    HG2  GLN   4           HG2      GLN   4   6.852  -1.433 -14.775
  193    HG3  GLN   4           HG3      GLN   4   8.572  -1.512 -14.368
  194   HE21  GLN   4          HE21      GLN   4   7.104  -4.884 -16.245
  195   HE22  GLN   4          HE22      GLN   4   6.047  -4.066 -15.109
  196    H    HIS   5           H        HIS   5   7.737   0.487 -13.196
  197    HA   HIS   5           HA       HIS   5   5.556   1.910 -11.834
  198    HB2  HIS   5           HB2      HIS   5   6.247   3.707 -13.532
  199    HB3  HIS   5           HB3      HIS   5   7.342   3.340 -12.212
  200    HD1  HIS   5           HD1      HIS   5   9.793   2.922 -12.857
  201    HD2  HIS   5           HD2      HIS   5   7.061   2.294 -15.998
  202    HE1  HIS   5           HE1      HIS   5  11.184   2.394 -14.919
  203    H    LEU   6           H        LEU   6   3.526   2.000 -12.539
  204    HA   LEU   6           HA       LEU   6   2.864   1.409 -15.384
  205    HB2  LEU   6           HB2      LEU   6   1.560  -0.120 -13.108
  206    HB3  LEU   6           HB3      LEU   6   1.410  -0.381 -14.820
  207    HG   LEU   6           HG       LEU   6   4.009  -0.841 -13.410
  208   HD11  LEU   6          HD11      LEU   6   2.330  -2.156 -12.323
  209   HD12  LEU   6          HD12      LEU   6   3.432  -3.162 -13.270
  210   HD13  LEU   6          HD13      LEU   6   1.802  -2.806 -13.891
  211   HD21  LEU   6          HD21      LEU   6   4.031  -0.770 -15.990
  212   HD22  LEU   6          HD22      LEU   6   2.980  -2.206 -15.913
  213   HD23  LEU   6          HD23      LEU   6   4.602  -2.251 -15.221
  214    H    CYS   7           H        CYS   7   1.195   2.457 -16.103
  215    HA   CYS   7           HA       CYS   7  -0.734   3.817 -14.258
  216    HB2  CYS   7           HB2      CYS   7   0.377   4.765 -16.919
  217    HB3  CYS   7           HB3      CYS   7  -0.707   5.658 -15.852
  218    H    GLY   8           H        GLY   8  -2.867   3.300 -14.696
  219    HA2  GLY   8           HA2      GLY   8  -4.764   2.517 -15.771
  220    HA3  GLY   8           HA3      GLY   8  -4.061   3.200 -17.233
  221    H    SER   9           H        SER   9  -3.721   1.801 -18.863
  222    HA   SER   9           HA       SER   9  -4.337  -0.942 -18.841
  223    HB2  SER   9           HB2      SER   9  -2.414   0.547 -20.681
  224    HB3  SER   9           HB3      SER   9  -3.269  -0.968 -21.062
  225    HG   SER   9           HG       SER   9  -4.330   0.881 -21.947
  226    H    HIS  10           H        HIS  10  -1.079   0.537 -18.406
  227    HA   HIS  10           HA       HIS  10   0.367  -1.994 -18.408
  228    HB2  HIS  10           HB2      HIS  10   0.969   0.682 -17.073
  229    HB3  HIS  10           HB3      HIS  10   2.108  -0.636 -17.182
  230    HD1  HIS  10           HD1      HIS  10   2.886  -1.192 -19.904
  231    HD2  HIS  10           HD2      HIS  10   0.761   2.312 -18.991
  232    HE1  HIS  10           HE1      HIS  10   3.174   0.354 -21.919
  233    H    LEU  11           H        LEU  11  -1.332  -0.092 -15.976
  234    HA   LEU  11           HA       LEU  11  -0.252  -1.439 -13.668
  235    HB2  LEU  11           HB2      LEU  11  -1.411   0.940 -14.082
  236    HB3  LEU  11           HB3      LEU  11  -2.888   0.045 -13.749
  237    HG   LEU  11           HG       LEU  11  -0.515   0.544 -11.932
  238   HD11  LEU  11          HD11      LEU  11  -2.464   1.396 -10.510
  239   HD12  LEU  11          HD12      LEU  11  -3.468   1.260 -11.961
  240   HD13  LEU  11          HD13      LEU  11  -2.056   2.347 -11.966
  241   HD21  LEU  11          HD21      LEU  11  -1.839  -0.732 -10.196
  242   HD22  LEU  11          HD22      LEU  11  -1.050  -1.682 -11.448
  243   HD23  LEU  11          HD23      LEU  11  -2.807  -1.387 -11.553
  244    H    VAL  12           H        VAL  12  -3.281  -1.608 -15.533
  245    HA   VAL  12           HA       VAL  12  -4.398  -3.964 -14.315
  246    HB   VAL  12           HB       VAL  12  -4.722  -2.812 -17.110
  247   HG11  VAL  12          HG11      VAL  12  -6.170  -5.156 -15.824
  248   HG12  VAL  12          HG12      VAL  12  -6.784  -4.259 -17.231
  249   HG13  VAL  12          HG13      VAL  12  -5.269  -5.155 -17.361
  250   HG21  VAL  12          HG21      VAL  12  -6.553  -2.867 -14.668
  251   HG22  VAL  12          HG22      VAL  12  -5.631  -1.460 -15.235
  252   HG23  VAL  12          HG23      VAL  12  -6.919  -2.119 -16.242
  253    H    GLU  13           H        GLU  13  -1.757  -3.593 -16.758
  254    HA   GLU  13           HA       GLU  13  -1.804  -6.363 -17.523
  255    HB2  GLU  13           HB2      GLU  13  -0.685  -4.417 -18.748
  256    HB3  GLU  13           HB3      GLU  13   0.655  -4.603 -17.606
  257    HG2  GLU  13           HG2      GLU  13   1.037  -6.889 -18.350
  258    HG3  GLU  13           HG3      GLU  13  -0.410  -6.840 -19.361
  259    H    ALA  14           H        ALA  14  -0.558  -4.733 -14.658
  260    HA   ALA  14           HA       ALA  14   0.791  -7.227 -13.715
  261    HB1  ALA  14           HB1      ALA  14   0.370  -4.490 -12.457
  262    HB2  ALA  14           HB2      ALA  14   1.215  -5.889 -11.710
  263    HB3  ALA  14           HB3      ALA  14   1.862  -5.111 -13.184
  264    H    LEU  15           H        LEU  15  -2.018  -5.165 -12.782
  265    HA   LEU  15           HA       LEU  15  -3.158  -6.626 -10.806
  266    HB2  LEU  15           HB2      LEU  15  -3.749  -4.417 -12.259
  267    HB3  LEU  15           HB3      LEU  15  -4.882  -5.530 -13.035
  268    HG   LEU  15           HG       LEU  15  -4.718  -4.746 -10.147
  269   HD11  LEU  15          HD11      LEU  15  -6.986  -3.765 -10.659
  270   HD12  LEU  15          HD12      LEU  15  -6.723  -4.185 -12.364
  271   HD13  LEU  15          HD13      LEU  15  -5.669  -3.012 -11.570
  272   HD21  LEU  15          HD21      LEU  15  -6.412  -6.803 -11.510
  273   HD22  LEU  15          HD22      LEU  15  -6.836  -6.067  -9.946
  274   HD23  LEU  15          HD23      LEU  15  -5.337  -6.947 -10.091
  275    H    TYR  16           H        TYR  16  -3.729  -7.115 -14.252
  276    HA   TYR  16           HA       TYR  16  -5.622  -9.257 -14.163
  277    HB2  TYR  16           HB2      TYR  16  -5.073  -7.550 -15.961
  278    HB3  TYR  16           HB3      TYR  16  -3.631  -8.470 -16.348
  279    HD1  TYR  16           HD1      TYR  16  -4.411 -11.210 -16.783
  280    HD2  TYR  16           HD2      TYR  16  -6.629  -7.576 -17.544
  281    HE1  TYR  16           HE1      TYR  16  -5.784 -12.409 -18.440
  282    HE2  TYR  16           HE2      TYR  16  -8.003  -8.796 -19.235
  283    HH   TYR  16           HH       TYR  16  -8.406 -10.790 -20.288
  284    H    LEU  17           H        LEU  17  -2.138  -9.240 -13.906
  285    HA   LEU  17           HA       LEU  17  -1.794 -12.112 -14.501
  286    HB2  LEU  17           HB2      LEU  17  -0.163 -10.326 -15.196
  287    HB3  LEU  17           HB3      LEU  17   0.084  -9.888 -13.543
  288    HG   LEU  17           HG       LEU  17   0.994 -12.017 -12.923
  289   HD11  LEU  17          HD11      LEU  17   0.802 -12.700 -15.894
  290   HD12  LEU  17          HD12      LEU  17  -0.025 -13.549 -14.563
  291   HD13  LEU  17          HD13      LEU  17   1.727 -13.632 -14.696
  292   HD21  LEU  17          HD21      LEU  17   2.367 -10.760 -15.335
  293   HD22  LEU  17          HD22      LEU  17   3.162 -11.762 -14.090
  294   HD23  LEU  17          HD23      LEU  17   2.466 -10.192 -13.659
  295    H    VAL  18           H        VAL  18  -1.584  -9.776 -11.879
  296    HA   VAL  18           HA       VAL  18  -0.833 -11.498  -9.731
  297    HB   VAL  18           HB       VAL  18  -2.061  -8.687  -9.911
  298   HG11  VAL  18          HG11      VAL  18  -1.219 -10.357  -7.521
  299   HG12  VAL  18          HG12      VAL  18  -1.179  -8.590  -7.499
  300   HG13  VAL  18          HG13      VAL  18  -2.707  -9.434  -7.780
  301   HG21  VAL  18          HG21      VAL  18   0.253  -8.988 -10.829
  302   HG22  VAL  18          HG22      VAL  18   0.362  -8.142  -9.303
  303   HG23  VAL  18          HG23      VAL  18   0.692  -9.893  -9.429
  304    H    CYS  19           H        CYS  19  -3.929 -10.395 -10.937
  305    HA   CYS  19           HA       CYS  19  -5.431 -11.979  -8.925
  306    HB2  CYS  19           HB2      CYS  19  -6.325 -10.322 -11.277
  307    HB3  CYS  19           HB3      CYS  19  -7.412 -11.119 -10.121
  308    H    GLY  20           H        GLY  20  -4.183 -12.374 -12.166
  309    HA2  GLY  20           HA2      GLY  20  -4.270 -14.118 -13.659
  310    HA3  GLY  20           HA3      GLY  20  -4.359 -15.150 -12.223
  311    H    GLU  21           H        GLU  21  -6.560 -12.921 -13.931
  312    HA   GLU  21           HA       GLU  21  -8.756 -12.889 -14.338
  313    HB2  GLU  21           HB2      GLU  21  -8.036 -15.673 -15.220
  314    HB3  GLU  21           HB3      GLU  21  -9.609 -14.931 -15.559
  315    HG2  GLU  21           HG2      GLU  21  -8.466 -13.051 -16.709
  316    HG3  GLU  21           HG3      GLU  21  -6.904 -13.826 -16.431
  317    H    ARG  22           H        ARG  22  -8.070 -13.999 -11.459
  318    HA   ARG  22           HA       ARG  22 -10.608 -15.166 -10.625
  319    HB2  ARG  22           HB2      ARG  22  -8.499 -13.587  -9.088
  320    HB3  ARG  22           HB3      ARG  22  -9.922 -14.303  -8.346
  321    HG2  ARG  22           HG2      ARG  22  -9.269 -16.549  -8.976
  322    HG3  ARG  22           HG3      ARG  22  -7.863 -15.963  -9.864
  323    HD2  ARG  22           HD2      ARG  22  -8.306 -15.508  -6.887
  324    HD3  ARG  22           HD3      ARG  22  -7.395 -16.873  -7.548
  325    HE   ARG  22           HE       ARG  22  -6.203 -14.695  -8.736
  326   HH11  ARG  22          HH11      ARG  22  -6.715 -15.449  -5.308
  327   HH12  ARG  22          HH12      ARG  22  -5.260 -14.552  -4.874
  328   HH21  ARG  22          HH21      ARG  22  -4.256 -13.675  -7.928
  329   HH22  ARG  22          HH22      ARG  22  -4.063 -13.687  -6.190
  330    H    GLY  23           H        GLY  23  -9.780 -12.020 -11.614
  331    HA2  GLY  23           HA2      GLY  23 -11.368 -10.407 -12.254
  332    HA3  GLY  23           HA3      GLY  23 -12.506 -10.972 -11.041
  333    H    PHE  24           H        PHE  24 -11.853  -8.346 -11.492
  334    HA   PHE  24           HA       PHE  24 -10.889  -7.121  -9.024
  335    HB2  PHE  24           HB2      PHE  24  -8.957  -6.074 -10.079
  336    HB3  PHE  24           HB3      PHE  24  -8.749  -7.803 -10.001
  337    HD1  PHE  24           HD1      PHE  24  -8.874  -9.224 -12.036
  338    HD2  PHE  24           HD2      PHE  24  -8.923  -4.917 -12.225
  339    HE1  PHE  24           HE1      PHE  24  -8.275  -9.332 -14.426
  340    HE2  PHE  24           HE2      PHE  24  -8.135  -5.021 -14.588
  341    HZ   PHE  24           HZ       PHE  24  -7.887  -7.224 -15.707
  342    H    PHE  25           H        PHE  25 -10.640  -4.707  -9.367
  343    HA   PHE  25           HA       PHE  25 -11.582  -3.573 -11.869
  344    HB2  PHE  25           HB2      PHE  25 -13.700  -3.715 -10.616
  345    HB3  PHE  25           HB3      PHE  25 -12.966  -2.855  -9.264
  346    HD1  PHE  25           HD1      PHE  25 -13.477  -2.500 -12.983
  347    HD2  PHE  25           HD2      PHE  25 -13.199  -0.509  -9.178
  348    HE1  PHE  25           HE1      PHE  25 -13.926  -0.318 -14.097
  349    HE2  PHE  25           HE2      PHE  25 -13.655   1.675 -10.287
  350    HZ   PHE  25           HZ       PHE  25 -14.017   1.769 -12.744
  351    H    TYR  26           H        TYR  26 -10.576  -1.653 -12.299
  352    HA   TYR  26           HA       TYR  26  -8.178  -1.152 -10.711
  353    HB2  TYR  26           HB2      TYR  26  -7.612   0.263 -12.798
  354    HB3  TYR  26           HB3      TYR  26  -7.623  -1.477 -12.864
  355    HD1  TYR  26           HD1      TYR  26  -9.162  -2.733 -14.201
  356    HD2  TYR  26           HD2      TYR  26  -9.522   1.550 -13.892
  357    HE1  TYR  26           HE1      TYR  26 -10.813  -2.737 -16.074
  358    HE2  TYR  26           HE2      TYR  26 -11.159   1.557 -15.765
  359    HH   TYR  26           HH       TYR  26 -12.321   0.293 -17.281
  360    H    THR  27           H        THR  27  -9.904  -0.312  -9.056
  361    HA   THR  27           HA       THR  27 -11.108   2.174  -9.123
  362    HB   THR  27           HB       THR  27  -9.764   0.943  -6.706
  363    HG1  THR  27           HG1      THR  27 -11.708  -0.103  -6.437
  364   HG21  THR  27          HG21      THR  27 -12.168   2.805  -6.998
  365   HG22  THR  27          HG22      THR  27 -10.612   3.210  -6.233
  366   HG23  THR  27          HG23      THR  27 -11.668   2.013  -5.486
  367    HA   PRO  28           HA       PRO  28  -7.371   4.790  -8.885
  368    HB2  PRO  28           HB2      PRO  28  -8.218   6.934 -10.258
  369    HB3  PRO  28           HB3      PRO  28  -8.080   5.344 -11.062
  370    HG2  PRO  28           HG2      PRO  28 -10.585   6.626  -9.903
  371    HG3  PRO  28           HG3      PRO  28 -10.360   5.902 -11.526
  372    HD2  PRO  28           HD2      PRO  28 -11.409   4.539  -9.328
  373    HD3  PRO  28           HD3      PRO  28 -10.554   3.748 -10.686
  374    H    LYS  29           H        LYS  29 -10.276   5.240  -7.190
  375    HA   LYS  29           HA       LYS  29 -10.247   7.956  -6.447
  376    HB2  LYS  29           HB2      LYS  29 -11.430   5.614  -4.895
  377    HB3  LYS  29           HB3      LYS  29 -11.840   7.318  -4.705
  378    HG2  LYS  29           HG2      LYS  29 -12.639   7.355  -7.104
  379    HG3  LYS  29           HG3      LYS  29 -12.334   5.610  -7.176
  380    HD2  LYS  29           HD2      LYS  29 -14.644   5.829  -6.724
  381    HD3  LYS  29           HD3      LYS  29 -13.903   5.316  -5.214
  382    HE2  LYS  29           HE2      LYS  29 -13.854   8.186  -5.228
  383    HE3  LYS  29           HE3      LYS  29 -15.439   7.727  -5.848
  384    HZ1  LYS  29           HZ1      LYS  29 -15.684   6.317  -3.825
  385    HZ2  LYS  29           HZ2      LYS  29 -15.513   7.898  -3.460
  386    HZ3  LYS  29           HZ3      LYS  29 -14.249   6.889  -3.250
  387    H    THR  30           H        THR  30  -9.853   9.067  -4.549
  388    HA   THR  30           HA       THR  30  -7.452   8.328  -3.034
  389    HB   THR  30           HB       THR  30  -7.931  10.515  -1.868
  390    HG1  THR  30           HG1      THR  30  -9.530  11.805  -2.813
  391   HG21  THR  30          HG21      THR  30  -6.448  10.411  -3.849
  392   HG22  THR  30          HG22      THR  30  -7.362  11.926  -3.786
  393   HG23  THR  30          HG23      THR  30  -7.851  10.648  -4.919
  394    H    ARG  31           H        ARG  31 -10.914   8.176  -2.514
  395    HA   ARG  31           HA       ARG  31 -10.576   6.809   0.094
  396    HB2  ARG  31           HB2      ARG  31 -10.863   9.204   0.610
  397    HB3  ARG  31           HB3      ARG  31 -12.360   9.262  -0.318
  398    HG2  ARG  31           HG2      ARG  31 -12.060   7.289   1.972
  399    HG3  ARG  31           HG3      ARG  31 -12.349   8.989   2.323
  400    HD2  ARG  31           HD2      ARG  31 -14.443   9.021   1.203
  401    HD3  ARG  31           HD3      ARG  31 -14.202   7.450   0.466
  402    HE   ARG  31           HE       ARG  31 -15.099   8.006   3.176
  403   HH11  ARG  31          HH11      ARG  31 -15.790   6.345   4.453
  404   HH12  ARG  31          HH12      ARG  31 -15.445   4.697   4.015
  405   HH21  ARG  31          HH21      ARG  31 -13.688   5.460   1.156
  406   HH22  ARG  31          HH22      ARG  31 -14.290   4.213   2.222
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -5.824   4.261  -3.066
    2    H2   GLY   1           H2       GLY   1  -6.530   3.183  -4.091
    3    H3   GLY   1           H3       GLY   1  -7.217   4.645  -3.848
    4    HA2  GLY   1           HA2      GLY   1  -6.129   4.581  -5.988
    5    HA3  GLY   1           HA3      GLY   1  -5.416   5.784  -4.912
    6    H    ILE   2           H        ILE   2  -5.036   2.384  -6.079
    7    HA   ILE   2           HA       ILE   2  -2.208   2.263  -5.243
    8    HB   ILE   2           HB       ILE   2  -3.520   0.257  -5.266
    9   HG12  ILE   2          HG12      ILE   2  -1.627   0.069  -7.654
   10   HG13  ILE   2          HG13      ILE   2  -1.069   0.197  -5.972
   11   HG21  ILE   2          HG21      ILE   2  -4.525  -0.654  -7.221
   12   HG22  ILE   2          HG22      ILE   2  -5.151   0.969  -7.111
   13   HG23  ILE   2          HG23      ILE   2  -3.869   0.647  -8.279
   14   HD11  ILE   2          HD11      ILE   2  -1.022  -2.059  -6.644
   15   HD12  ILE   2          HD12      ILE   2  -2.315  -1.900  -5.442
   16   HD13  ILE   2          HD13      ILE   2  -2.721  -2.075  -7.164
   17    H    VAL   3           H        VAL   3  -3.958   2.958  -8.276
   18    HA   VAL   3           HA       VAL   3  -2.010   3.429 -10.108
   19    HB   VAL   3           HB       VAL   3  -4.189   5.416  -9.414
   20   HG11  VAL   3          HG11      VAL   3  -4.175   5.858 -11.860
   21   HG12  VAL   3          HG12      VAL   3  -2.617   6.241 -11.131
   22   HG13  VAL   3          HG13      VAL   3  -2.808   4.733 -12.054
   23   HG21  VAL   3          HG21      VAL   3  -5.607   4.184 -11.043
   24   HG22  VAL   3          HG22      VAL   3  -4.379   2.906 -11.145
   25   HG23  VAL   3          HG23      VAL   3  -5.253   3.207  -9.624
   26    H    GLU   4           H        GLU   4  -2.705   5.670  -7.387
   27    HA   GLU   4           HA       GLU   4  -0.745   7.516  -8.282
   28    HB2  GLU   4           HB2      GLU   4  -2.559   8.055  -6.669
   29    HB3  GLU   4           HB3      GLU   4  -1.751   7.077  -5.436
   30    HG2  GLU   4           HG2      GLU   4   0.192   8.578  -5.464
   31    HG3  GLU   4           HG3      GLU   4  -0.503   9.499  -6.803
   32    H    GLN   5           H        GLN   5  -0.504   4.664  -6.232
   33    HA   GLN   5           HA       GLN   5   2.270   4.987  -5.448
   34    HB2  GLN   5           HB2      GLN   5   0.043   3.072  -5.034
   35    HB3  GLN   5           HB3      GLN   5   1.599   2.290  -5.153
   36    HG2  GLN   5           HG2      GLN   5   1.008   4.616  -3.272
   37    HG3  GLN   5           HG3      GLN   5   0.855   2.919  -2.824
   38   HE21  GLN   5          HE21      GLN   5   3.088   5.558  -3.001
   39   HE22  GLN   5          HE22      GLN   5   4.527   4.601  -2.696
   40    H    CYS   6           H        CYS   6   0.698   2.918  -7.954
   41    HA   CYS   6           HA       CYS   6   3.261   1.830  -8.690
   42    HB2  CYS   6           HB2      CYS   6   1.087   0.593  -8.970
   43    HB3  CYS   6           HB3      CYS   6   0.945   1.494 -10.508
   44    H    CYS   7           H        CYS   7   1.108   4.320 -10.126
   45    HA   CYS   7           HA       CYS   7   2.484   4.351 -12.624
   46    HB2  CYS   7           HB2      CYS   7   0.117   5.010 -12.326
   47    HB3  CYS   7           HB3      CYS   7   0.582   6.358 -11.321
   48    H    THR   8           H        THR   8   2.797   6.286  -9.616
   49    HA   THR   8           HA       THR   8   4.883   8.042 -10.786
   50    HB   THR   8           HB       THR   8   4.836   9.343  -8.853
   51    HG1  THR   8           HG1      THR   8   2.966   7.679  -7.568
   52   HG21  THR   8          HG21      THR   8   2.528  10.059  -8.663
   53   HG22  THR   8          HG22      THR   8   1.954   8.528  -9.366
   54   HG23  THR   8          HG23      THR   8   2.904   9.664 -10.356
   55    H    SER   9           H        SER   9   4.640   5.422  -8.369
   56    HA   SER   9           HA       SER   9   7.627   5.410  -8.243
   57    HB2  SER   9           HB2      SER   9   5.732   4.416  -6.111
   58    HB3  SER   9           HB3      SER   9   7.490   4.295  -6.091
   59    HG   SER   9           HG       SER   9   6.724   6.119  -4.926
   60    H    ILE  10           H        ILE  10   6.428   2.548  -6.940
   61    HA   ILE  10           HA       ILE  10   6.291   1.091  -9.466
   62    HB   ILE  10           HB       ILE  10   8.067  -0.544  -8.716
   63   HG12  ILE  10          HG12      ILE  10   8.891   1.728  -6.828
   64   HG13  ILE  10          HG13      ILE  10   8.152   0.212  -6.333
   65   HG21  ILE  10          HG21      ILE  10   9.210   2.207  -9.294
   66   HG22  ILE  10          HG22      ILE  10   9.886   0.623  -9.723
   67   HG23  ILE  10          HG23      ILE  10   8.410   1.193 -10.508
   68   HD11  ILE  10          HD11      ILE  10  10.516   0.118  -5.936
   69   HD12  ILE  10          HD12      ILE  10  10.131  -1.019  -7.236
   70   HD13  ILE  10          HD13      ILE  10  10.886   0.547  -7.617
   71    H    CYS  11           H        CYS  11   5.538  -1.086  -9.230
   72    HA   CYS  11           HA       CYS  11   4.532  -1.898  -6.553
   73    HB2  CYS  11           HB2      CYS  11   2.296  -2.174  -7.365
   74    HB3  CYS  11           HB3      CYS  11   2.797  -0.520  -7.650
   75    H    SER  12           H        SER  12   3.360  -4.023  -6.697
   76    HA   SER  12           HA       SER  12   4.329  -6.119  -8.504
   77    HB2  SER  12           HB2      SER  12   6.281  -5.773  -7.047
   78    HB3  SER  12           HB3      SER  12   5.260  -5.848  -5.606
   79    HG   SER  12           HG       SER  12   6.387  -7.823  -6.083
   80    H    LEU  13           H        LEU  13   3.522  -8.364  -7.318
   81    HA   LEU  13           HA       LEU  13   0.718  -8.144  -6.805
   82    HB2  LEU  13           HB2      LEU  13   1.246 -10.498  -5.575
   83    HB3  LEU  13           HB3      LEU  13   0.925 -10.295  -7.257
   84    HG   LEU  13           HG       LEU  13   3.384 -10.272  -7.723
   85   HD11  LEU  13          HD11      LEU  13   4.863 -11.223  -5.967
   86   HD12  LEU  13          HD12      LEU  13   3.531 -11.158  -4.798
   87   HD13  LEU  13          HD13      LEU  13   4.214  -9.660  -5.469
   88   HD21  LEU  13          HD21      LEU  13   2.018 -12.287  -8.018
   89   HD22  LEU  13          HD22      LEU  13   2.230 -12.711  -6.302
   90   HD23  LEU  13          HD23      LEU  13   3.621 -12.711  -7.403
   91    H    TYR  14           H        TYR  14   3.416  -7.721  -4.695
   92    HA   TYR  14           HA       TYR  14   2.218  -7.803  -2.148
   93    HB2  TYR  14           HB2      TYR  14   4.686  -7.070  -3.274
   94    HB3  TYR  14           HB3      TYR  14   4.098  -5.566  -2.606
   95    HD1  TYR  14           HD1      TYR  14   3.961  -5.268  -0.166
   96    HD2  TYR  14           HD2      TYR  14   5.031  -9.073  -1.888
   97    HE1  TYR  14           HE1      TYR  14   4.722  -6.063   2.074
   98    HE2  TYR  14           HE2      TYR  14   5.775  -9.879   0.362
   99    HH   TYR  14           HH       TYR  14   5.612  -7.797   3.275
  100    H    GLN  15           H        GLN  15   1.605  -5.532  -4.758
  101    HA   GLN  15           HA       GLN  15  -0.075  -3.844  -2.947
  102    HB2  GLN  15           HB2      GLN  15   1.058  -3.052  -5.642
  103    HB3  GLN  15           HB3      GLN  15   0.165  -2.066  -4.471
  104    HG2  GLN  15           HG2      GLN  15   2.148  -2.750  -2.856
  105    HG3  GLN  15           HG3      GLN  15   3.026  -3.052  -4.344
  106   HE21  GLN  15          HE21      GLN  15   3.410  -0.907  -2.231
  107   HE22  GLN  15          HE22      GLN  15   3.275   0.603  -3.130
  108    H    LEU  16           H        LEU  16   0.132  -5.302  -6.242
  109    HA   LEU  16           HA       LEU  16  -2.480  -4.553  -7.094
  110    HB2  LEU  16           HB2      LEU  16  -0.531  -6.679  -7.963
  111    HB3  LEU  16           HB3      LEU  16  -2.109  -6.441  -8.752
  112    HG   LEU  16           HG       LEU  16  -0.224  -5.569  -9.971
  113   HD11  LEU  16          HD11      LEU  16  -2.025  -3.307  -9.153
  114   HD12  LEU  16          HD12      LEU  16  -2.688  -4.708  -9.998
  115   HD13  LEU  16          HD13      LEU  16  -1.448  -3.747 -10.781
  116   HD21  LEU  16          HD21      LEU  16  -0.052  -3.575  -7.735
  117   HD22  LEU  16          HD22      LEU  16   0.447  -3.240  -9.387
  118   HD23  LEU  16          HD23      LEU  16   1.254  -4.537  -8.491
  119    H    GLU  17           H        GLU  17  -1.526  -7.451  -5.204
  120    HA   GLU  17           HA       GLU  17  -3.922  -8.867  -6.002
  121    HB2  GLU  17           HB2      GLU  17  -1.618  -9.775  -5.161
  122    HB3  GLU  17           HB3      GLU  17  -2.377  -9.633  -3.550
  123    HG2  GLU  17           HG2      GLU  17  -4.328 -10.995  -4.587
  124    HG3  GLU  17           HG3      GLU  17  -3.290 -11.194  -6.007
  125    H    ASN  18           H        ASN  18  -3.626  -6.223  -4.206
  126    HA   ASN  18           HA       ASN  18  -5.923  -6.617  -2.375
  127    HB2  ASN  18           HB2      ASN  18  -4.331  -4.139  -3.199
  128    HB3  ASN  18           HB3      ASN  18  -5.689  -4.103  -2.118
  129   HD21  ASN  18          HD21      ASN  18  -2.329  -4.802  -2.416
  130   HD22  ASN  18          HD22      ASN  18  -2.050  -5.267  -0.734
  131    H    TYR  19           H        TYR  19  -5.466  -5.841  -5.805
  132    HA   TYR  19           HA       TYR  19  -7.933  -4.187  -5.944
  133    HB2  TYR  19           HB2      TYR  19  -5.976  -5.399  -7.891
  134    HB3  TYR  19           HB3      TYR  19  -7.536  -4.851  -8.444
  135    HD1  TYR  19           HD1      TYR  19  -8.187  -2.346  -7.651
  136    HD2  TYR  19           HD2      TYR  19  -4.293  -4.021  -8.243
  137    HE1  TYR  19           HE1      TYR  19  -7.460  -0.257  -8.879
  138    HE2  TYR  19           HE2      TYR  19  -3.703  -2.219  -9.783
  139    HH   TYR  19           HH       TYR  19  -6.006   0.533 -10.458
  140    H    CYS  20           H        CYS  20  -6.957  -7.580  -6.439
  141    HA   CYS  20           HA       CYS  20  -9.027  -8.394  -7.978
  142    HB2  CYS  20           HB2      CYS  20  -8.021 -10.130  -5.738
  143    HB3  CYS  20           HB3      CYS  20  -8.606 -10.608  -7.353
  144    H    ASN  21           H        ASN  21 -11.089  -9.407  -7.624
  145    HA   ASN  21           HA       ASN  21 -12.490  -8.142  -5.427
  146    HB2  ASN  21           HB2      ASN  21 -14.547  -9.267  -6.398
  147    HB3  ASN  21           HB3      ASN  21 -13.684  -8.149  -7.442
  148   HD21  ASN  21          HD21      ASN  21 -13.031 -12.033  -8.543
  149   HD22  ASN  21          HD22      ASN  21 -12.851 -11.605  -6.846
  150    H    SER  22           H        SER  22 -13.331  -8.935  -3.598
  151    HA   SER  22           HA       SER  22 -12.858 -11.791  -2.823
  152    HB2  SER  22           HB2      SER  22 -12.370  -9.308  -1.126
  153    HB3  SER  22           HB3      SER  22 -12.287 -10.980  -0.557
  154    HG   SER  22           HG       SER  22 -10.698  -9.829  -2.642
  155    H1   PHE   1           H1       PHE   1   9.415 -11.547  -7.548
  156    H2   PHE   1           H2       PHE   1  10.018 -12.151  -8.939
  157    H3   PHE   1           H3       PHE   1   8.795 -12.926  -8.177
  158    HA   PHE   1           HA       PHE   1   7.970 -11.739 -10.105
  159    HB2  PHE   1           HB2      PHE   1   6.604 -12.008  -7.933
  160    HB3  PHE   1           HB3      PHE   1   6.995 -10.331  -7.588
  161    HD1  PHE   1           HD1      PHE   1   5.099 -12.648  -9.746
  162    HD2  PHE   1           HD2      PHE   1   5.985  -8.501  -8.946
  163    HE1  PHE   1           HE1      PHE   1   3.106 -11.966 -11.055
  164    HE2  PHE   1           HE2      PHE   1   3.997  -7.830 -10.270
  165    HZ   PHE   1           HZ       PHE   1   2.536  -9.559 -11.288
  166    H    VAL   2           H        VAL   2   7.552  -9.711 -11.167
  167    HA   VAL   2           HA       VAL   2   9.941  -8.022 -10.995
  168    HB   VAL   2           HB       VAL   2   9.280  -9.020 -13.087
  169   HG11  VAL   2          HG11      VAL   2   6.806  -8.926 -12.957
  170   HG12  VAL   2          HG12      VAL   2   6.873  -7.161 -13.135
  171   HG13  VAL   2          HG13      VAL   2   7.436  -8.208 -14.445
  172   HG21  VAL   2          HG21      VAL   2   9.183  -5.988 -13.161
  173   HG22  VAL   2          HG22      VAL   2  10.641  -6.996 -13.045
  174   HG23  VAL   2          HG23      VAL   2   9.623  -7.075 -14.491
  175    H    LYS   3           H        LYS   3  10.101  -6.093 -10.114
  176    HA   LYS   3           HA       LYS   3   7.725  -4.535  -9.302
  177    HB2  LYS   3           HB2      LYS   3  10.701  -3.997  -8.995
  178    HB3  LYS   3           HB3      LYS   3   9.398  -2.989  -8.347
  179    HG2  LYS   3           HG2      LYS   3   8.570  -4.870  -6.984
  180    HG3  LYS   3           HG3      LYS   3   9.864  -5.918  -7.581
  181    HD2  LYS   3           HD2      LYS   3  10.262  -3.353  -5.986
  182    HD3  LYS   3           HD3      LYS   3  10.330  -5.006  -5.348
  183    HE2  LYS   3           HE2      LYS   3  12.223  -5.513  -6.875
  184    HE3  LYS   3           HE3      LYS   3  12.197  -3.842  -7.460
  185    HZ1  LYS   3           HZ1      LYS   3  12.711  -3.101  -5.202
  186    HZ2  LYS   3           HZ2      LYS   3  13.854  -4.142  -5.707
  187    HZ3  LYS   3           HZ3      LYS   3  12.721  -4.639  -4.642
  188    H    GLN   4           H        GLN   4   6.854  -2.940 -10.486
  189    HA   GLN   4           HA       GLN   4   8.385  -1.733 -12.758
  190    HB2  GLN   4           HB2      GLN   4   5.565  -2.857 -12.941
  191    HB3  GLN   4           HB3      GLN   4   6.471  -2.067 -14.236
  192    HG2  GLN   4           HG2      GLN   4   8.098  -3.937 -14.227
  193    HG3  GLN   4           HG3      GLN   4   7.118  -4.739 -12.977
  194   HE21  GLN   4          HE21      GLN   4   4.853  -5.327 -13.544
  195   HE22  GLN   4          HE22      GLN   4   4.479  -5.641 -15.234
  196    H    HIS   5           H        HIS   5   7.572   0.216 -13.574
  197    HA   HIS   5           HA       HIS   5   5.690   1.741 -11.851
  198    HB2  HIS   5           HB2      HIS   5   6.391   3.631 -13.428
  199    HB3  HIS   5           HB3      HIS   5   7.552   3.068 -12.230
  200    HD1  HIS   5           HD1      HIS   5   9.921   2.589 -13.090
  201    HD2  HIS   5           HD2      HIS   5   6.939   2.411 -16.056
  202    HE1  HIS   5           HE1      HIS   5  11.132   2.190 -15.298
  203    H    LEU   6           H        LEU   6   3.584   1.995 -12.487
  204    HA   LEU   6           HA       LEU   6   2.857   1.476 -15.337
  205    HB2  LEU   6           HB2      LEU   6   1.585  -0.092 -13.084
  206    HB3  LEU   6           HB3      LEU   6   1.371  -0.321 -14.783
  207    HG   LEU   6           HG       LEU   6   3.992  -0.868 -13.430
  208   HD11  LEU   6          HD11      LEU   6   3.341  -3.186 -13.367
  209   HD12  LEU   6          HD12      LEU   6   1.742  -2.795 -14.017
  210   HD13  LEU   6          HD13      LEU   6   2.212  -2.213 -12.425
  211   HD21  LEU   6          HD21      LEU   6   4.480  -2.263 -15.329
  212   HD22  LEU   6          HD22      LEU   6   3.966  -0.720 -16.019
  213   HD23  LEU   6          HD23      LEU   6   2.852  -2.112 -15.963
  214    H    CYS   7           H        CYS   7   1.170   2.526 -16.025
  215    HA   CYS   7           HA       CYS   7  -0.656   3.941 -14.123
  216    HB2  CYS   7           HB2      CYS   7   0.304   4.795 -16.868
  217    HB3  CYS   7           HB3      CYS   7  -0.685   5.739 -15.764
  218    H    GLY   8           H        GLY   8  -2.752   3.234 -14.315
  219    HA2  GLY   8           HA2      GLY   8  -4.750   2.503 -15.222
  220    HA3  GLY   8           HA3      GLY   8  -4.213   3.269 -16.716
  221    H    SER   9           H        SER   9  -3.951   1.953 -18.446
  222    HA   SER   9           HA       SER   9  -4.548  -0.784 -18.567
  223    HB2  SER   9           HB2      SER   9  -2.722   0.852 -20.386
  224    HB3  SER   9           HB3      SER   9  -3.540  -0.662 -20.824
  225    HG   SER   9           HG       SER   9  -4.707   1.169 -21.559
  226    H    HIS  10           H        HIS  10  -1.294   0.701 -18.162
  227    HA   HIS  10           HA       HIS  10   0.160  -1.833 -18.326
  228    HB2  HIS  10           HB2      HIS  10   0.824   0.813 -16.968
  229    HB3  HIS  10           HB3      HIS  10   1.959  -0.499 -17.133
  230    HD1  HIS  10           HD1      HIS  10   2.616  -1.029 -19.899
  231    HD2  HIS  10           HD2      HIS  10   0.588   2.484 -18.829
  232    HE1  HIS  10           HE1      HIS  10   2.839   0.546 -21.897
  233    H    LEU  11           H        LEU  11  -1.437  -0.026 -15.728
  234    HA   LEU  11           HA       LEU  11  -0.251  -1.544 -13.585
  235    HB2  LEU  11           HB2      LEU  11  -1.696   0.836 -13.806
  236    HB3  LEU  11           HB3      LEU  11  -2.886  -0.240 -13.090
  237    HG   LEU  11           HG       LEU  11  -0.137   0.485 -12.039
  238   HD11  LEU  11          HD11      LEU  11  -1.411   1.415 -10.178
  239   HD12  LEU  11          HD12      LEU  11  -2.929   0.902 -10.944
  240   HD13  LEU  11          HD13      LEU  11  -1.922   2.131 -11.736
  241   HD21  LEU  11          HD21      LEU  11  -0.391  -1.799 -11.398
  242   HD22  LEU  11          HD22      LEU  11  -2.094  -1.522 -10.973
  243   HD23  LEU  11          HD23      LEU  11  -0.791  -0.825  -9.985
  244    H    VAL  12           H        VAL  12  -3.308  -1.627 -15.366
  245    HA   VAL  12           HA       VAL  12  -4.374  -4.031 -14.243
  246    HB   VAL  12           HB       VAL  12  -4.738  -2.834 -17.015
  247   HG11  VAL  12          HG11      VAL  12  -6.130  -5.231 -15.767
  248   HG12  VAL  12          HG12      VAL  12  -6.777  -4.316 -17.153
  249   HG13  VAL  12          HG13      VAL  12  -5.243  -5.174 -17.308
  250   HG21  VAL  12          HG21      VAL  12  -6.954  -2.210 -16.088
  251   HG22  VAL  12          HG22      VAL  12  -6.500  -2.966 -14.543
  252   HG23  VAL  12          HG23      VAL  12  -5.648  -1.520 -15.121
  253    H    GLU  13           H        GLU  13  -1.745  -3.574 -16.700
  254    HA   GLU  13           HA       GLU  13  -1.765  -6.340 -17.510
  255    HB2  GLU  13           HB2      GLU  13  -0.691  -4.351 -18.707
  256    HB3  GLU  13           HB3      GLU  13   0.666  -4.545 -17.587
  257    HG2  GLU  13           HG2      GLU  13   1.050  -6.823 -18.378
  258    HG3  GLU  13           HG3      GLU  13  -0.394  -6.753 -19.392
  259    H    ALA  14           H        ALA  14  -0.574  -4.755 -14.623
  260    HA   ALA  14           HA       ALA  14   0.823  -7.224 -13.687
  261    HB1  ALA  14           HB1      ALA  14   1.852  -5.088 -13.128
  262    HB2  ALA  14           HB2      ALA  14   0.353  -4.499 -12.416
  263    HB3  ALA  14           HB3      ALA  14   1.201  -5.890 -11.662
  264    H    LEU  15           H        LEU  15  -2.054  -5.237 -12.800
  265    HA   LEU  15           HA       LEU  15  -3.172  -6.734 -10.821
  266    HB2  LEU  15           HB2      LEU  15  -3.808  -4.532 -12.237
  267    HB3  LEU  15           HB3      LEU  15  -4.901  -5.660 -13.062
  268    HG   LEU  15           HG       LEU  15  -4.824  -4.916 -10.162
  269   HD11  LEU  15          HD11      LEU  15  -5.802  -3.223 -11.595
  270   HD12  LEU  15          HD12      LEU  15  -7.112  -4.039 -10.726
  271   HD13  LEU  15          HD13      LEU  15  -6.765  -4.443 -12.432
  272   HD21  LEU  15          HD21      LEU  15  -6.833  -6.331  -9.946
  273   HD22  LEU  15          HD22      LEU  15  -5.318  -7.159 -10.153
  274   HD23  LEU  15          HD23      LEU  15  -6.419  -7.023 -11.547
  275    H    TYR  16           H        TYR  16  -3.730  -7.169 -14.278
  276    HA   TYR  16           HA       TYR  16  -5.575  -9.333 -14.262
  277    HB2  TYR  16           HB2      TYR  16  -4.962  -7.594 -16.041
  278    HB3  TYR  16           HB3      TYR  16  -3.541  -8.557 -16.418
  279    HD1  TYR  16           HD1      TYR  16  -4.393 -11.272 -16.800
  280    HD2  TYR  16           HD2      TYR  16  -6.523  -7.604 -17.621
  281    HE1  TYR  16           HE1      TYR  16  -5.843 -12.495 -18.362
  282    HE2  TYR  16           HE2      TYR  16  -7.970  -8.831 -19.251
  283    HH   TYR  16           HH       TYR  16  -8.479 -10.863 -20.209
  284    H    LEU  17           H        LEU  17  -2.066  -9.269 -13.951
  285    HA   LEU  17           HA       LEU  17  -1.701 -12.130 -14.550
  286    HB2  LEU  17           HB2      LEU  17  -0.090 -10.343 -15.227
  287    HB3  LEU  17           HB3      LEU  17   0.146  -9.887 -13.575
  288    HG   LEU  17           HG       LEU  17   1.100 -11.971 -12.931
  289   HD11  LEU  17          HD11      LEU  17   0.877 -12.746 -15.883
  290   HD12  LEU  17          HD12      LEU  17   0.079 -13.562 -14.513
  291   HD13  LEU  17          HD13      LEU  17   1.833 -13.624 -14.668
  292   HD21  LEU  17          HD21      LEU  17   2.541 -10.134 -13.775
  293   HD22  LEU  17          HD22      LEU  17   2.438 -10.800 -15.418
  294   HD23  LEU  17          HD23      LEU  17   3.244 -11.726 -14.129
  295    H    VAL  18           H        VAL  18  -1.596  -9.825 -11.908
  296    HA   VAL  18           HA       VAL  18  -0.797 -11.526  -9.769
  297    HB   VAL  18           HB       VAL  18  -2.079  -8.749  -9.953
  298   HG11  VAL  18          HG11      VAL  18  -1.314  -8.666  -7.492
  299   HG12  VAL  18          HG12      VAL  18  -2.818  -9.526  -7.838
  300   HG13  VAL  18          HG13      VAL  18  -1.312 -10.427  -7.530
  301   HG21  VAL  18          HG21      VAL  18   0.700  -9.881  -9.282
  302   HG22  VAL  18          HG22      VAL  18   0.284  -9.056 -10.747
  303   HG23  VAL  18          HG23      VAL  18   0.285  -8.157  -9.243
  304    H    CYS  19           H        CYS  19  -3.964 -10.634 -11.054
  305    HA   CYS  19           HA       CYS  19  -5.356 -12.230  -8.963
  306    HB2  CYS  19           HB2      CYS  19  -6.328 -10.643 -11.337
  307    HB3  CYS  19           HB3      CYS  19  -7.376 -11.452 -10.145
  308    H    GLY  20           H        GLY  20  -4.153 -12.392 -12.201
  309    HA2  GLY  20           HA2      GLY  20  -3.789 -14.044 -13.711
  310    HA3  GLY  20           HA3      GLY  20  -4.351 -15.222 -12.518
  311    H    GLU  21           H        GLU  21  -6.732 -14.769 -12.079
  312    HA   GLU  21           HA       GLU  21  -8.504 -14.604 -14.456
  313    HB2  GLU  21           HB2      GLU  21  -8.107 -17.216 -12.926
  314    HB3  GLU  21           HB3      GLU  21  -9.411 -16.911 -14.069
  315    HG2  GLU  21           HG2      GLU  21  -7.695 -16.511 -15.868
  316    HG3  GLU  21           HG3      GLU  21  -6.452 -17.038 -14.735
  317    H    ARG  22           H        ARG  22  -8.076 -14.422 -11.043
  318    HA   ARG  22           HA       ARG  22 -10.648 -15.176 -10.095
  319    HB2  ARG  22           HB2      ARG  22  -8.449 -13.423  -8.931
  320    HB3  ARG  22           HB3      ARG  22  -9.889 -13.896  -8.024
  321    HG2  ARG  22           HG2      ARG  22  -9.371 -16.255  -8.254
  322    HG3  ARG  22           HG3      ARG  22  -7.967 -15.920  -9.273
  323    HD2  ARG  22           HD2      ARG  22  -8.242 -14.868  -6.429
  324    HD3  ARG  22           HD3      ARG  22  -7.518 -16.440  -6.818
  325    HE   ARG  22           HE       ARG  22  -6.149 -14.655  -8.438
  326   HH11  ARG  22          HH11      ARG  22  -6.524 -15.023  -4.925
  327   HH12  ARG  22          HH12      ARG  22  -4.928 -14.323  -4.654
  328   HH21  ARG  22          HH21      ARG  22  -4.060 -13.754  -7.820
  329   HH22  ARG  22          HH22      ARG  22  -3.715 -13.756  -6.103
  330    H    GLY  23           H        GLY  23  -9.672 -12.133 -11.456
  331    HA2  GLY  23           HA2      GLY  23 -11.194 -10.514 -12.305
  332    HA3  GLY  23           HA3      GLY  23 -12.435 -11.046 -11.179
  333    H    PHE  24           H        PHE  24 -11.745  -8.415 -11.591
  334    HA   PHE  24           HA       PHE  24 -10.875  -7.265  -9.042
  335    HB2  PHE  24           HB2      PHE  24  -8.988  -6.081 -10.132
  336    HB3  PHE  24           HB3      PHE  24  -8.730  -7.804  -9.992
  337    HD1  PHE  24           HD1      PHE  24  -8.741  -9.304 -11.968
  338    HD2  PHE  24           HD2      PHE  24  -9.029  -5.022 -12.301
  339    HE1  PHE  24           HE1      PHE  24  -8.084  -9.450 -14.358
  340    HE2  PHE  24           HE2      PHE  24  -8.181  -5.155 -14.663
  341    HZ   PHE  24           HZ       PHE  24  -7.785  -7.366 -15.691
  342    H    PHE  25           H        PHE  25 -10.798  -4.836  -9.199
  343    HA   PHE  25           HA       PHE  25 -12.930  -3.862 -11.038
  344    HB2  PHE  25           HB2      PHE  25 -11.900  -2.398  -8.609
  345    HB3  PHE  25           HB3      PHE  25 -13.465  -2.262  -9.389
  346    HD1  PHE  25           HD1      PHE  25 -14.942  -4.488  -9.360
  347    HD2  PHE  25           HD2      PHE  25 -11.739  -3.582  -6.625
  348    HE1  PHE  25           HE1      PHE  25 -15.911  -6.072  -7.709
  349    HE2  PHE  25           HE2      PHE  25 -12.702  -5.165  -4.971
  350    HZ   PHE  25           HZ       PHE  25 -14.799  -6.404  -5.505
  351    H    TYR  26           H        TYR  26  -9.600  -3.363 -10.443
  352    HA   TYR  26           HA       TYR  26  -8.063  -1.804 -10.926
  353    HB2  TYR  26           HB2      TYR  26  -7.833  -1.144 -13.246
  354    HB3  TYR  26           HB3      TYR  26  -8.194  -2.837 -13.015
  355    HD1  TYR  26           HD1      TYR  26 -10.139  -3.878 -13.869
  356    HD2  TYR  26           HD2      TYR  26  -9.621   0.387 -14.188
  357    HE1  TYR  26           HE1      TYR  26 -12.145  -3.752 -15.345
  358    HE2  TYR  26           HE2      TYR  26 -11.616   0.526 -15.672
  359    HH   TYR  26           HH       TYR  26 -13.513  -2.378 -16.591
  360    H    THR  27           H        THR  27 -10.538  -0.581  -9.607
  361    HA   THR  27           HA       THR  27 -10.831   2.020 -10.801
  362    HB   THR  27           HB       THR  27 -12.122   2.563  -8.710
  363    HG1  THR  27           HG1      THR  27 -12.578   0.672  -7.407
  364   HG21  THR  27          HG21      THR  27 -13.998   1.097  -9.160
  365   HG22  THR  27          HG22      THR  27 -12.954  -0.059 -10.002
  366   HG23  THR  27          HG23      THR  27 -13.233   1.552 -10.691
  367    HA   PRO  28           HA       PRO  28  -7.706   4.362  -8.544
  368    HB2  PRO  28           HB2      PRO  28  -8.868   6.844  -8.417
  369    HB3  PRO  28           HB3      PRO  28  -8.177   6.143  -9.921
  370    HG2  PRO  28           HG2      PRO  28 -11.085   6.136  -9.027
  371    HG3  PRO  28           HG3      PRO  28 -10.419   6.638 -10.618
  372    HD2  PRO  28           HD2      PRO  28 -11.434   4.158 -10.237
  373    HD3  PRO  28           HD3      PRO  28  -9.976   4.388 -11.234
  374    H    LYS  29           H        LYS  29 -11.007   3.978  -7.403
  375    HA   LYS  29           HA       LYS  29 -10.442   4.727  -4.627
  376    HB2  LYS  29           HB2      LYS  29 -12.680   4.824  -5.758
  377    HB3  LYS  29           HB3      LYS  29 -12.738   3.058  -5.726
  378    HG2  LYS  29           HG2      LYS  29 -12.754   3.054  -3.281
  379    HG3  LYS  29           HG3      LYS  29 -12.322   4.759  -3.230
  380    HD2  LYS  29           HD2      LYS  29 -14.664   4.563  -2.691
  381    HD3  LYS  29           HD3      LYS  29 -14.480   5.386  -4.232
  382    HE2  LYS  29           HE2      LYS  29 -16.282   3.927  -4.568
  383    HE3  LYS  29           HE3      LYS  29 -14.925   3.130  -5.379
  384    HZ1  LYS  29           HZ1      LYS  29 -16.234   1.598  -3.990
  385    HZ2  LYS  29           HZ2      LYS  29 -15.884   2.456  -2.644
  386    HZ3  LYS  29           HZ3      LYS  29 -14.701   1.661  -3.457
  387    H    THR  30           H        THR  30 -10.032   1.832  -6.528
  388    HA   THR  30           HA       THR  30  -8.927  -0.073  -6.234
  389    HB   THR  30           HB       THR  30  -7.778   1.042  -3.669
  390    HG1  THR  30           HG1      THR  30  -7.405   1.711  -6.355
  391   HG21  THR  30          HG21      THR  30  -6.605  -0.808  -5.779
  392   HG22  THR  30          HG22      THR  30  -7.031  -1.240  -4.104
  393   HG23  THR  30          HG23      THR  30  -5.717  -0.099  -4.405
  394    H    ARG  31           H        ARG  31 -11.018   0.768  -3.602
  395    HA   ARG  31           HA       ARG  31 -11.511  -2.115  -3.004
  396    HB2  ARG  31           HB2      ARG  31 -10.284  -0.883  -1.150
  397    HB3  ARG  31           HB3      ARG  31 -11.628   0.246  -1.095
  398    HG2  ARG  31           HG2      ARG  31 -12.114  -1.133   0.666
  399    HG3  ARG  31           HG3      ARG  31 -13.112  -1.864  -0.578
  400    HD2  ARG  31           HD2      ARG  31 -10.378  -2.830   0.383
  401    HD3  ARG  31           HD3      ARG  31 -11.930  -3.507   0.836
  402    HE   ARG  31           HE       ARG  31 -12.241  -4.424  -1.336
  403   HH11  ARG  31          HH11      ARG  31  -9.022  -3.004  -1.060
  404   HH12  ARG  31          HH12      ARG  31  -8.425  -4.031  -2.360
  405   HH21  ARG  31          HH21      ARG  31 -11.287  -5.704  -2.912
  406   HH22  ARG  31          HH22      ARG  31  -9.599  -5.442  -3.300
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -5.828   6.802  -5.471
    2    H2   GLY   1           H2       GLY   1  -5.657   6.499  -3.864
    3    H3   GLY   1           H3       GLY   1  -7.153   6.604  -4.532
    4    HA2  GLY   1           HA2      GLY   1  -6.607   4.295  -4.110
    5    HA3  GLY   1           HA3      GLY   1  -6.798   4.622  -5.840
    6    H    ILE   2           H        ILE   2  -5.491   2.584  -5.997
    7    HA   ILE   2           HA       ILE   2  -2.781   2.527  -4.915
    8    HB   ILE   2           HB       ILE   2  -4.007   0.498  -4.930
    9   HG12  ILE   2          HG12      ILE   2  -2.089   0.248  -7.274
   10   HG13  ILE   2          HG13      ILE   2  -1.539   0.429  -5.600
   11   HG21  ILE   2          HG21      ILE   2  -5.668   0.982  -6.681
   12   HG22  ILE   2          HG22      ILE   2  -4.400   0.933  -7.928
   13   HG23  ILE   2          HG23      ILE   2  -4.866  -0.525  -6.991
   14   HD11  ILE   2          HD11      ILE   2  -3.114  -1.929  -6.732
   15   HD12  ILE   2          HD12      ILE   2  -1.407  -1.871  -6.266
   16   HD13  ILE   2          HD13      ILE   2  -2.674  -1.707  -5.028
   17    H    VAL   3           H        VAL   3  -4.126   2.963  -8.187
   18    HA   VAL   3           HA       VAL   3  -2.097   3.388  -9.869
   19    HB   VAL   3           HB       VAL   3  -4.194   5.534  -9.369
   20   HG11  VAL   3          HG11      VAL   3  -4.169   5.772 -11.818
   21   HG12  VAL   3          HG12      VAL   3  -2.564   6.054 -11.153
   22   HG13  VAL   3          HG13      VAL   3  -2.930   4.514 -11.945
   23   HG21  VAL   3          HG21      VAL   3  -5.466   3.429  -9.358
   24   HG22  VAL   3          HG22      VAL   3  -5.742   4.303 -10.851
   25   HG23  VAL   3          HG23      VAL   3  -4.651   2.913 -10.849
   26    H    GLU   4           H        GLU   4  -2.832   5.647  -7.214
   27    HA   GLU   4           HA       GLU   4  -1.003   7.631  -8.116
   28    HB2  GLU   4           HB2      GLU   4  -2.813   7.998  -6.440
   29    HB3  GLU   4           HB3      GLU   4  -1.895   7.047  -5.256
   30    HG2  GLU   4           HG2      GLU   4  -0.062   8.690  -5.325
   31    HG3  GLU   4           HG3      GLU   4  -0.890   9.596  -6.597
   32    H    GLN   5           H        GLN   5  -0.544   4.746  -6.144
   33    HA   GLN   5           HA       GLN   5   2.274   5.227  -5.522
   34    HB2  GLN   5           HB2      GLN   5   0.447   3.831  -4.213
   35    HB3  GLN   5           HB3      GLN   5   0.800   2.575  -5.348
   36    HG2  GLN   5           HG2      GLN   5   2.117   2.199  -3.372
   37    HG3  GLN   5           HG3      GLN   5   3.205   2.603  -4.711
   38   HE21  GLN   5          HE21      GLN   5   1.559   4.051  -1.815
   39   HE22  GLN   5          HE22      GLN   5   2.821   5.246  -1.552
   40    H    CYS   6           H        CYS   6   0.448   2.985  -7.609
   41    HA   CYS   6           HA       CYS   6   2.812   1.725  -8.632
   42    HB2  CYS   6           HB2      CYS   6   0.006   1.545  -9.696
   43    HB3  CYS   6           HB3      CYS   6   1.367   0.496 -10.124
   44    H    CYS   7           H        CYS   7   0.969   4.432  -9.983
   45    HA   CYS   7           HA       CYS   7   2.383   4.211 -12.543
   46    HB2  CYS   7           HB2      CYS   7   0.038   4.918 -12.420
   47    HB3  CYS   7           HB3      CYS   7   0.423   6.222 -11.338
   48    H    THR   8           H        THR   8   2.753   6.139  -9.536
   49    HA   THR   8           HA       THR   8   4.926   7.758 -10.764
   50    HB   THR   8           HB       THR   8   4.886   9.184  -8.922
   51    HG1  THR   8           HG1      THR   8   2.861   7.757  -7.596
   52   HG21  THR   8          HG21      THR   8   1.988   8.500  -9.515
   53   HG22  THR   8          HG22      THR   8   3.056   9.489 -10.547
   54   HG23  THR   8          HG23      THR   8   2.628  10.046  -8.914
   55    H    SER   9           H        SER   9   4.486   5.318  -8.238
   56    HA   SER   9           HA       SER   9   7.445   5.047  -8.052
   57    HB2  SER   9           HB2      SER   9   6.473   5.810  -5.936
   58    HB3  SER   9           HB3      SER   9   5.428   4.372  -5.886
   59    HG   SER   9           HG       SER   9   7.417   4.246  -4.656
   60    H    ILE  10           H        ILE  10   6.903   2.450  -6.655
   61    HA   ILE  10           HA       ILE  10   6.433   0.831  -9.104
   62    HB   ILE  10           HB       ILE  10   8.318  -0.601  -8.297
   63   HG12  ILE  10          HG12      ILE  10   8.660   1.696  -6.296
   64   HG13  ILE  10          HG13      ILE  10   8.420  -0.007  -5.952
   65   HG21  ILE  10          HG21      ILE  10   9.993   0.807  -9.293
   66   HG22  ILE  10          HG22      ILE  10   8.455   1.103 -10.114
   67   HG23  ILE  10          HG23      ILE  10   9.066   2.278  -8.925
   68   HD11  ILE  10          HD11      ILE  10  10.691  -0.415  -7.008
   69   HD12  ILE  10          HD12      ILE  10  10.857   1.368  -7.117
   70   HD13  ILE  10          HD13      ILE  10  10.695   0.603  -5.537
   71    H    CYS  11           H        CYS  11   5.607  -1.144  -9.053
   72    HA   CYS  11           HA       CYS  11   4.484  -2.219  -6.516
   73    HB2  CYS  11           HB2      CYS  11   2.965  -1.426  -9.022
   74    HB3  CYS  11           HB3      CYS  11   2.315  -2.495  -7.789
   75    H    SER  12           H        SER  12   3.500  -4.286  -6.739
   76    HA   SER  12           HA       SER  12   4.125  -6.152  -8.908
   77    HB2  SER  12           HB2      SER  12   5.439  -7.631  -7.466
   78    HB3  SER  12           HB3      SER  12   6.234  -6.045  -7.546
   79    HG   SER  12           HG       SER  12   6.140  -6.708  -5.395
   80    H    LEU  13           H        LEU  13   3.548  -8.552  -7.479
   81    HA   LEU  13           HA       LEU  13   0.744  -8.174  -6.843
   82    HB2  LEU  13           HB2      LEU  13   0.772 -10.591  -6.189
   83    HB3  LEU  13           HB3      LEU  13   1.215 -10.244  -7.846
   84    HG   LEU  13           HG       LEU  13   3.575 -10.628  -7.372
   85   HD11  LEU  13          HD11      LEU  13   3.831 -10.127  -5.024
   86   HD12  LEU  13          HD12      LEU  13   4.136 -11.844  -5.226
   87   HD13  LEU  13          HD13      LEU  13   2.579 -11.323  -4.573
   88   HD21  LEU  13          HD21      LEU  13   2.103 -12.437  -8.171
   89   HD22  LEU  13          HD22      LEU  13   1.717 -12.877  -6.489
   90   HD23  LEU  13          HD23      LEU  13   3.370 -13.064  -7.108
   91    H    TYR  14           H        TYR  14   3.496  -7.569  -4.999
   92    HA   TYR  14           HA       TYR  14   2.289  -7.982  -2.392
   93    HB2  TYR  14           HB2      TYR  14   4.838  -7.450  -3.347
   94    HB3  TYR  14           HB3      TYR  14   4.371  -5.886  -2.712
   95    HD1  TYR  14           HD1      TYR  14   4.845  -9.477  -2.010
   96    HD2  TYR  14           HD2      TYR  14   4.177  -5.596  -0.254
   97    HE1  TYR  14           HE1      TYR  14   5.393 -10.409   0.250
   98    HE2  TYR  14           HE2      TYR  14   4.728  -6.522   2.004
   99    HH   TYR  14           HH       TYR  14   5.627  -9.956   2.482
  100    H    GLN  15           H        GLN  15   1.809  -5.629  -4.907
  101    HA   GLN  15           HA       GLN  15   0.304  -3.836  -3.030
  102    HB2  GLN  15           HB2      GLN  15   1.560  -3.172  -5.703
  103    HB3  GLN  15           HB3      GLN  15   0.682  -2.065  -4.657
  104    HG2  GLN  15           HG2      GLN  15   2.788  -3.293  -3.085
  105    HG3  GLN  15           HG3      GLN  15   3.489  -2.781  -4.602
  106   HE21  GLN  15          HE21      GLN  15   4.279  -0.603  -4.543
  107   HE22  GLN  15          HE22      GLN  15   3.656   0.555  -3.394
  108    H    LEU  16           H        LEU  16   0.251  -5.201  -6.362
  109    HA   LEU  16           HA       LEU  16  -2.361  -4.299  -7.111
  110    HB2  LEU  16           HB2      LEU  16  -0.463  -6.462  -8.039
  111    HB3  LEU  16           HB3      LEU  16  -2.055  -6.212  -8.785
  112    HG   LEU  16           HG       LEU  16  -0.125  -5.274  -9.987
  113   HD11  LEU  16          HD11      LEU  16  -1.442  -3.581 -10.853
  114   HD12  LEU  16          HD12      LEU  16  -2.022  -3.070  -9.246
  115   HD13  LEU  16          HD13      LEU  16  -2.658  -4.525 -10.023
  116   HD21  LEU  16          HD21      LEU  16   0.604  -2.994  -9.419
  117   HD22  LEU  16          HD22      LEU  16   1.156  -4.214  -8.267
  118   HD23  LEU  16          HD23      LEU  16  -0.210  -3.140  -7.843
  119    H    GLU  17           H        GLU  17  -1.477  -7.229  -5.256
  120    HA   GLU  17           HA       GLU  17  -3.908  -8.595  -6.003
  121    HB2  GLU  17           HB2      GLU  17  -1.617  -9.524  -5.159
  122    HB3  GLU  17           HB3      GLU  17  -2.350  -9.328  -3.540
  123    HG2  GLU  17           HG2      GLU  17  -4.312 -10.715  -4.507
  124    HG3  GLU  17           HG3      GLU  17  -3.305 -10.961  -5.935
  125    H    ASN  18           H        ASN  18  -3.497  -5.956  -4.164
  126    HA   ASN  18           HA       ASN  18  -5.751  -6.267  -2.293
  127    HB2  ASN  18           HB2      ASN  18  -4.123  -3.865  -3.244
  128    HB3  ASN  18           HB3      ASN  18  -5.457  -3.731  -2.131
  129   HD21  ASN  18          HD21      ASN  18  -2.122  -4.478  -2.432
  130   HD22  ASN  18          HD22      ASN  18  -1.847  -4.928  -0.743
  131    H    TYR  19           H        TYR  19  -5.445  -5.608  -5.751
  132    HA   TYR  19           HA       TYR  19  -7.996  -4.076  -5.856
  133    HB2  TYR  19           HB2      TYR  19  -6.095  -5.301  -7.857
  134    HB3  TYR  19           HB3      TYR  19  -7.686  -4.748  -8.338
  135    HD1  TYR  19           HD1      TYR  19  -8.315  -2.241  -7.668
  136    HD2  TYR  19           HD2      TYR  19  -4.380  -3.889  -8.166
  137    HE1  TYR  19           HE1      TYR  19  -7.581  -0.155  -8.872
  138    HE2  TYR  19           HE2      TYR  19  -3.765  -2.057  -9.652
  139    HH   TYR  19           HH       TYR  19  -4.459  -0.039 -10.624
  140    H    CYS  20           H        CYS  20  -6.860  -7.420  -6.312
  141    HA   CYS  20           HA       CYS  20  -8.952  -8.298  -7.833
  142    HB2  CYS  20           HB2      CYS  20  -7.588 -10.057  -5.800
  143    HB3  CYS  20           HB3      CYS  20  -8.295 -10.521  -7.371
  144    H    ASN  21           H        ASN  21 -10.914  -9.421  -7.440
  145    HA   ASN  21           HA       ASN  21 -12.032  -9.037  -4.731
  146    HB2  ASN  21           HB2      ASN  21 -14.242  -9.299  -5.755
  147    HB3  ASN  21           HB3      ASN  21 -13.318  -7.969  -6.427
  148   HD21  ASN  21          HD21      ASN  21 -13.786 -11.481  -7.102
  149   HD22  ASN  21          HD22      ASN  21 -13.926 -11.257  -8.845
  150    H    SER  22           H        SER  22 -10.132 -11.018  -4.944
  151    HA   SER  22           HA       SER  22 -10.892 -13.654  -5.441
  152    HB2  SER  22           HB2      SER  22  -8.981 -12.654  -3.303
  153    HB3  SER  22           HB3      SER  22  -8.981 -14.256  -4.056
  154    HG   SER  22           HG       SER  22  -7.456 -12.733  -5.010
  155    H1   PHE   1           H1       PHE   1   7.035 -13.086 -11.638
  156    H2   PHE   1           H2       PHE   1   8.108 -12.583 -10.503
  157    H3   PHE   1           H3       PHE   1   8.524 -12.566 -12.086
  158    HA   PHE   1           HA       PHE   1   6.909 -10.878 -12.573
  159    HB2  PHE   1           HB2      PHE   1   5.626  -9.806 -10.821
  160    HB3  PHE   1           HB3      PHE   1   5.250 -11.512 -10.879
  161    HD1  PHE   1           HD1      PHE   1   7.019  -8.858  -8.929
  162    HD2  PHE   1           HD2      PHE   1   5.689 -12.971  -8.968
  163    HE1  PHE   1           HE1      PHE   1   7.509  -9.048  -6.509
  164    HE2  PHE   1           HE2      PHE   1   6.186 -13.142  -6.545
  165    HZ   PHE   1           HZ       PHE   1   7.073 -11.182  -5.310
  166    H    VAL   2           H        VAL   2   7.195  -8.507 -12.039
  167    HA   VAL   2           HA       VAL   2   9.951  -7.916 -11.021
  168    HB   VAL   2           HB       VAL   2   8.655  -6.893 -13.590
  169   HG11  VAL   2          HG11      VAL   2  10.103  -5.188 -12.580
  170   HG12  VAL   2          HG12      VAL   2  11.410  -6.384 -12.384
  171   HG13  VAL   2          HG13      VAL   2  10.874  -5.872 -14.007
  172   HG21  VAL   2          HG21      VAL   2   9.442  -9.194 -13.924
  173   HG22  VAL   2          HG22      VAL   2  10.525  -8.066 -14.737
  174   HG23  VAL   2          HG23      VAL   2  11.016  -8.787 -13.190
  175    H    LYS   3           H        LYS   3  10.022  -6.200  -9.624
  176    HA   LYS   3           HA       LYS   3   7.679  -4.551  -9.068
  177    HB2  LYS   3           HB2      LYS   3  10.592  -4.162  -8.269
  178    HB3  LYS   3           HB3      LYS   3   9.205  -3.228  -7.671
  179    HG2  LYS   3           HG2      LYS   3   8.227  -5.263  -6.678
  180    HG3  LYS   3           HG3      LYS   3   9.557  -6.243  -7.325
  181    HD2  LYS   3           HD2      LYS   3  11.171  -4.868  -5.969
  182    HD3  LYS   3           HD3      LYS   3   9.779  -4.026  -5.236
  183    HE2  LYS   3           HE2      LYS   3   8.890  -6.224  -4.456
  184    HE3  LYS   3           HE3      LYS   3  10.271  -7.041  -5.198
  185    HZ1  LYS   3           HZ1      LYS   3  11.731  -5.811  -3.668
  186    HZ2  LYS   3           HZ2      LYS   3  10.642  -6.685  -2.829
  187    HZ3  LYS   3           HZ3      LYS   3  10.453  -5.070  -2.976
  188    H    GLN   4           H        GLN   4   6.950  -3.019 -10.344
  189    HA   GLN   4           HA       GLN   4   8.785  -1.403 -12.061
  190    HB2  GLN   4           HB2      GLN   4   8.048  -3.707 -13.038
  191    HB3  GLN   4           HB3      GLN   4   6.461  -2.969 -13.245
  192    HG2  GLN   4           HG2      GLN   4   7.349  -1.423 -14.875
  193    HG3  GLN   4           HG3      GLN   4   9.019  -1.735 -14.366
  194   HE21  GLN   4          HE21      GLN   4   6.189  -3.749 -15.523
  195   HE22  GLN   4          HE22      GLN   4   7.199  -4.708 -16.596
  196    H    HIS   5           H        HIS   5   7.449   0.145 -13.458
  197    HA   HIS   5           HA       HIS   5   5.463   1.535 -11.725
  198    HB2  HIS   5           HB2      HIS   5   6.377   3.550 -13.093
  199    HB3  HIS   5           HB3      HIS   5   7.231   2.929 -11.686
  200    HD1  HIS   5           HD1      HIS   5   9.705   3.340 -12.166
  201    HD2  HIS   5           HD2      HIS   5   7.624   1.619 -15.394
  202    HE1  HIS   5           HE1      HIS   5  11.456   2.774 -13.932
  203    H    LEU   6           H        LEU   6   3.472   1.630 -12.448
  204    HA   LEU   6           HA       LEU   6   2.941   1.505 -15.384
  205    HB2  LEU   6           HB2      LEU   6   1.434  -0.143 -13.340
  206    HB3  LEU   6           HB3      LEU   6   1.432  -0.249 -15.067
  207    HG   LEU   6           HG       LEU   6   2.464  -2.094 -14.495
  208   HD11  LEU   6          HD11      LEU   6   3.997  -0.626 -16.042
  209   HD12  LEU   6          HD12      LEU   6   4.412  -2.254 -15.503
  210   HD13  LEU   6          HD13      LEU   6   5.129  -0.875 -14.686
  211   HD21  LEU   6          HD21      LEU   6   3.966  -0.746 -12.299
  212   HD22  LEU   6          HD22      LEU   6   4.176  -2.442 -12.796
  213   HD23  LEU   6          HD23      LEU   6   2.614  -1.870 -12.190
  214    H    CYS   7           H        CYS   7   1.214   2.493 -16.128
  215    HA   CYS   7           HA       CYS   7  -0.676   3.892 -14.276
  216    HB2  CYS   7           HB2      CYS   7   0.455   4.846 -16.922
  217    HB3  CYS   7           HB3      CYS   7  -0.586   5.751 -15.819
  218    H    GLY   8           H        GLY   8  -2.799   3.324 -14.700
  219    HA2  GLY   8           HA2      GLY   8  -4.711   2.632 -15.797
  220    HA3  GLY   8           HA3      GLY   8  -3.980   3.284 -17.264
  221    H    SER   9           H        SER   9  -3.573   1.844 -18.875
  222    HA   SER   9           HA       SER   9  -4.406  -0.853 -18.753
  223    HB2  SER   9           HB2      SER   9  -2.441   0.436 -20.714
  224    HB3  SER   9           HB3      SER   9  -3.418  -1.014 -21.016
  225    HG   SER   9           HG       SER   9  -5.288   0.263 -20.909
  226    H    HIS  10           H        HIS  10  -1.037   0.425 -18.414
  227    HA   HIS  10           HA       HIS  10   0.095  -2.270 -18.290
  228    HB2  HIS  10           HB2      HIS  10   1.195   0.422 -17.446
  229    HB3  HIS  10           HB3      HIS  10   2.095  -1.092 -17.327
  230    HD1  HIS  10           HD1      HIS  10   2.188  -2.445 -19.944
  231    HD2  HIS  10           HD2      HIS  10   1.239   1.646 -19.692
  232    HE1  HIS  10           HE1      HIS  10   2.587  -1.481 -22.271
  233    H    LEU  11           H        LEU  11  -1.466  -0.130 -15.998
  234    HA   LEU  11           HA       LEU  11  -0.393  -1.447 -13.637
  235    HB2  LEU  11           HB2      LEU  11  -1.518   0.984 -14.053
  236    HB3  LEU  11           HB3      LEU  11  -2.964   0.095 -13.603
  237    HG   LEU  11           HG       LEU  11  -0.432   0.597 -11.970
  238   HD11  LEU  11          HD11      LEU  11  -3.380   1.273 -11.739
  239   HD12  LEU  11          HD12      LEU  11  -1.999   2.379 -11.869
  240   HD13  LEU  11          HD13      LEU  11  -2.260   1.423 -10.380
  241   HD21  LEU  11          HD21      LEU  11  -1.610  -0.689 -10.126
  242   HD22  LEU  11          HD22      LEU  11  -0.876  -1.615 -11.427
  243   HD23  LEU  11          HD23      LEU  11  -2.646  -1.371 -11.410
  244    H    VAL  12           H        VAL  12  -3.435  -1.588 -15.541
  245    HA   VAL  12           HA       VAL  12  -4.505  -3.953 -14.292
  246    HB   VAL  12           HB       VAL  12  -4.810  -2.874 -17.133
  247   HG11  VAL  12          HG11      VAL  12  -6.853  -4.359 -17.232
  248   HG12  VAL  12          HG12      VAL  12  -5.315  -5.227 -17.316
  249   HG13  VAL  12          HG13      VAL  12  -6.225  -5.209 -15.795
  250   HG21  VAL  12          HG21      VAL  12  -5.752  -1.474 -15.311
  251   HG22  VAL  12          HG22      VAL  12  -7.027  -2.180 -16.310
  252   HG23  VAL  12          HG23      VAL  12  -6.662  -2.875 -14.717
  253    H    GLU  13           H        GLU  13  -1.915  -3.558 -16.802
  254    HA   GLU  13           HA       GLU  13  -1.833  -6.331 -17.540
  255    HB2  GLU  13           HB2      GLU  13  -0.820  -4.390 -18.768
  256    HB3  GLU  13           HB3      GLU  13   0.461  -4.357 -17.551
  257    HG2  GLU  13           HG2      GLU  13   1.237  -6.549 -18.210
  258    HG3  GLU  13           HG3      GLU  13  -0.143  -6.743 -19.301
  259    H    ALA  14           H        ALA  14  -0.665  -4.655 -14.668
  260    HA   ALA  14           HA       ALA  14   0.798  -7.066 -13.687
  261    HB1  ALA  14           HB1      ALA  14   0.187  -4.356 -12.437
  262    HB2  ALA  14           HB2      ALA  14   1.166  -5.681 -11.721
  263    HB3  ALA  14           HB3      ALA  14   1.709  -4.820 -13.198
  264    H    LEU  15           H        LEU  15  -2.102  -5.111 -12.805
  265    HA   LEU  15           HA       LEU  15  -3.180  -6.571 -10.786
  266    HB2  LEU  15           HB2      LEU  15  -3.855  -4.418 -12.242
  267    HB3  LEU  15           HB3      LEU  15  -4.948  -5.564 -13.018
  268    HG   LEU  15           HG       LEU  15  -4.799  -4.779 -10.119
  269   HD11  LEU  15          HD11      LEU  15  -5.804  -3.094 -11.559
  270   HD12  LEU  15          HD12      LEU  15  -7.088  -3.875 -10.621
  271   HD13  LEU  15          HD13      LEU  15  -6.821  -4.304 -12.331
  272   HD21  LEU  15          HD21      LEU  15  -6.862  -6.164  -9.898
  273   HD22  LEU  15          HD22      LEU  15  -5.343  -7.009 -10.050
  274   HD23  LEU  15          HD23      LEU  15  -6.422  -6.894 -11.466
  275    H    TYR  16           H        TYR  16  -3.775  -7.093 -14.221
  276    HA   TYR  16           HA       TYR  16  -5.578  -9.301 -14.142
  277    HB2  TYR  16           HB2      TYR  16  -5.026  -7.581 -15.959
  278    HB3  TYR  16           HB3      TYR  16  -3.596  -8.522 -16.336
  279    HD1  TYR  16           HD1      TYR  16  -6.593  -7.645 -17.545
  280    HD2  TYR  16           HD2      TYR  16  -4.426 -11.273 -16.651
  281    HE1  TYR  16           HE1      TYR  16  -8.027  -8.925 -19.145
  282    HE2  TYR  16           HE2      TYR  16  -5.866 -12.544 -18.188
  283    HH   TYR  16           HH       TYR  16  -8.493 -10.968 -20.081
  284    H    LEU  17           H        LEU  17  -2.064  -9.172 -13.936
  285    HA   LEU  17           HA       LEU  17  -1.664 -12.039 -14.476
  286    HB2  LEU  17           HB2      LEU  17  -0.078 -10.243 -15.192
  287    HB3  LEU  17           HB3      LEU  17   0.160  -9.755 -13.551
  288    HG   LEU  17           HG       LEU  17   1.129 -11.830 -12.872
  289   HD11  LEU  17          HD11      LEU  17   1.896 -13.489 -14.596
  290   HD12  LEU  17          HD12      LEU  17   0.940 -12.624 -15.821
  291   HD13  LEU  17          HD13      LEU  17   0.138 -13.434 -14.449
  292   HD21  LEU  17          HD21      LEU  17   2.551  -9.989 -13.674
  293   HD22  LEU  17          HD22      LEU  17   2.454 -10.620 -15.337
  294   HD23  LEU  17          HD23      LEU  17   3.278 -11.553 -14.067
  295    H    VAL  18           H        VAL  18  -1.549  -9.692 -11.871
  296    HA   VAL  18           HA       VAL  18  -0.675 -11.288  -9.692
  297    HB   VAL  18           HB       VAL  18  -2.271  -8.692  -9.904
  298   HG11  VAL  18          HG11      VAL  18  -1.164 -10.158  -7.507
  299   HG12  VAL  18          HG12      VAL  18  -1.372  -8.403  -7.521
  300   HG13  VAL  18          HG13      VAL  18  -2.769  -9.450  -7.768
  301   HG21  VAL  18          HG21      VAL  18   0.537  -8.594  -8.952
  302   HG22  VAL  18          HG22      VAL  18   0.381  -9.122 -10.616
  303   HG23  VAL  18          HG23      VAL  18  -0.317  -7.592 -10.101
  304    H    CYS  19           H        CYS  19  -3.917 -10.522 -10.977
  305    HA   CYS  19           HA       CYS  19  -5.277 -12.127  -8.884
  306    HB2  CYS  19           HB2      CYS  19  -6.262 -10.800 -11.407
  307    HB3  CYS  19           HB3      CYS  19  -7.291 -11.538 -10.160
  308    H    GLY  20           H        GLY  20  -4.082 -12.351 -12.147
  309    HA2  GLY  20           HA2      GLY  20  -3.736 -14.010 -13.654
  310    HA3  GLY  20           HA3      GLY  20  -4.225 -15.208 -12.436
  311    H    GLU  21           H        GLU  21  -6.602 -14.738 -11.887
  312    HA   GLU  21           HA       GLU  21  -8.481 -14.605 -14.188
  313    HB2  GLU  21           HB2      GLU  21  -8.007 -17.204 -12.655
  314    HB3  GLU  21           HB3      GLU  21  -9.369 -16.905 -13.734
  315    HG2  GLU  21           HG2      GLU  21  -7.732 -16.511 -15.616
  316    HG3  GLU  21           HG3      GLU  21  -6.448 -17.060 -14.533
  317    H    ARG  22           H        ARG  22  -7.898 -14.392 -10.789
  318    HA   ARG  22           HA       ARG  22 -10.456 -15.127  -9.767
  319    HB2  ARG  22           HB2      ARG  22  -8.159 -13.502  -8.609
  320    HB3  ARG  22           HB3      ARG  22  -9.565 -14.020  -7.673
  321    HG2  ARG  22           HG2      ARG  22  -9.097 -16.372  -8.096
  322    HG3  ARG  22           HG3      ARG  22  -7.738 -15.985  -9.157
  323    HD2  ARG  22           HD2      ARG  22  -7.878 -15.200  -6.225
  324    HD3  ARG  22           HD3      ARG  22  -7.113 -16.677  -6.823
  325    HE   ARG  22           HE       ARG  22  -5.870 -14.748  -8.330
  326   HH11  ARG  22          HH11      ARG  22  -6.188 -15.166  -4.820
  327   HH12  ARG  22          HH12      ARG  22  -4.684 -14.274  -4.561
  328   HH21  ARG  22          HH21      ARG  22  -3.898 -13.631  -7.728
  329   HH22  ARG  22          HH22      ARG  22  -3.564 -13.553  -6.012
  330    H    GLY  23           H        GLY  23  -9.607 -12.208 -11.296
  331    HA2  GLY  23           HA2      GLY  23 -11.117 -10.607 -12.061
  332    HA3  GLY  23           HA3      GLY  23 -12.321 -11.130 -10.890
  333    H    PHE  24           H        PHE  24 -11.765  -8.508 -11.428
  334    HA   PHE  24           HA       PHE  24 -10.930  -7.185  -8.976
  335    HB2  PHE  24           HB2      PHE  24  -9.039  -6.013 -10.064
  336    HB3  PHE  24           HB3      PHE  24  -8.743  -7.725  -9.885
  337    HD1  PHE  24           HD1      PHE  24  -9.034  -4.970 -12.255
  338    HD2  PHE  24           HD2      PHE  24  -8.744  -9.254 -11.859
  339    HE1  PHE  24           HE1      PHE  24  -8.193  -5.142 -14.608
  340    HE2  PHE  24           HE2      PHE  24  -8.105  -9.439 -14.234
  341    HZ   PHE  24           HZ       PHE  24  -7.809  -7.382 -15.608
  342    H    PHE  25           H        PHE  25 -10.836  -4.769  -9.317
  343    HA   PHE  25           HA       PHE  25 -11.981  -3.711 -11.801
  344    HB2  PHE  25           HB2      PHE  25 -13.948  -4.006 -10.355
  345    HB3  PHE  25           HB3      PHE  25 -13.142  -3.137  -9.051
  346    HD1  PHE  25           HD1      PHE  25 -13.576  -2.451 -12.760
  347    HD2  PHE  25           HD2      PHE  25 -14.198  -1.080  -8.719
  348    HE1  PHE  25           HE1      PHE  25 -14.495  -0.311 -13.627
  349    HE2  PHE  25           HE2      PHE  25 -15.180   1.030  -9.589
  350    HZ   PHE  25           HZ       PHE  25 -15.307   1.425 -12.049
  351    H    TYR  26           H        TYR  26 -10.692  -2.147 -12.462
  352    HA   TYR  26           HA       TYR  26  -8.437  -1.362 -10.806
  353    HB2  TYR  26           HB2      TYR  26  -7.562  -0.496 -13.007
  354    HB3  TYR  26           HB3      TYR  26  -7.887  -2.204 -12.880
  355    HD1  TYR  26           HD1      TYR  26  -9.040   0.944 -14.463
  356    HD2  TYR  26           HD2      TYR  26  -9.613  -3.319 -14.124
  357    HE1  TYR  26           HE1      TYR  26 -10.581   0.987 -16.429
  358    HE2  TYR  26           HE2      TYR  26 -11.181  -3.271 -16.057
  359    HH   TYR  26           HH       TYR  26 -12.182  -1.978 -17.661
  360    H    THR  27           H        THR  27 -10.584  -0.138  -9.703
  361    HA   THR  27           HA       THR  27 -11.112   2.485 -10.715
  362    HB   THR  27           HB       THR  27 -12.708   1.410  -9.297
  363    HG1  THR  27           HG1      THR  27 -12.901   3.545  -9.224
  364   HG21  THR  27          HG21      THR  27 -11.121   0.249  -7.703
  365   HG22  THR  27          HG22      THR  27 -12.485   1.072  -6.953
  366   HG23  THR  27          HG23      THR  27 -10.881   1.819  -6.907
  367    HA   PRO  28           HA       PRO  28  -7.595   4.658  -8.879
  368    HB2  PRO  28           HB2      PRO  28  -8.163   7.203  -9.603
  369    HB3  PRO  28           HB3      PRO  28  -7.700   5.956 -10.799
  370    HG2  PRO  28           HG2      PRO  28 -10.497   6.888 -10.070
  371    HG3  PRO  28           HG3      PRO  28  -9.781   6.702 -11.702
  372    HD2  PRO  28           HD2      PRO  28 -11.332   4.756 -10.549
  373    HD3  PRO  28           HD3      PRO  28  -9.970   4.367 -11.640
  374    H    LYS  29           H        LYS  29 -10.942   5.102  -7.943
  375    HA   LYS  29           HA       LYS  29 -10.125   6.372  -5.368
  376    HB2  LYS  29           HB2      LYS  29 -11.638   8.219  -5.615
  377    HB3  LYS  29           HB3      LYS  29 -10.532   8.180  -6.985
  378    HG2  LYS  29           HG2      LYS  29 -12.339   7.091  -8.371
  379    HG3  LYS  29           HG3      LYS  29 -13.440   7.256  -6.982
  380    HD2  LYS  29           HD2      LYS  29 -13.113   9.719  -7.017
  381    HD3  LYS  29           HD3      LYS  29 -12.016   9.553  -8.404
  382    HE2  LYS  29           HE2      LYS  29 -13.879   8.528  -9.719
  383    HE3  LYS  29           HE3      LYS  29 -14.957   8.740  -8.333
  384    HZ1  LYS  29           HZ1      LYS  29 -14.621  11.153  -8.524
  385    HZ2  LYS  29           HZ2      LYS  29 -15.187  10.564  -9.933
  386    HZ3  LYS  29           HZ3      LYS  29 -13.611  10.958  -9.792
  387    H    THR  30           H        THR  30 -11.963   3.937  -6.650
  388    HA   THR  30           HA       THR  30 -13.658   2.653  -5.943
  389    HB   THR  30           HB       THR  30 -13.117   3.533  -3.099
  390    HG1  THR  30           HG1      THR  30 -11.448   2.048  -3.109
  391   HG21  THR  30          HG21      THR  30 -13.548   1.156  -2.619
  392   HG22  THR  30          HG22      THR  30 -13.787   0.821  -4.350
  393   HG23  THR  30          HG23      THR  30 -14.941   1.835  -3.468
  394    H    ARG  31           H        ARG  31 -14.706   4.607  -7.117
  395    HA   ARG  31           HA       ARG  31 -16.520   6.294  -5.687
  396    HB2  ARG  31           HB2      ARG  31 -17.232   7.103  -7.696
  397    HB3  ARG  31           HB3      ARG  31 -15.593   6.594  -8.072
  398    HG2  ARG  31           HG2      ARG  31 -18.174   5.138  -8.789
  399    HG3  ARG  31           HG3      ARG  31 -17.176   6.086  -9.879
  400    HD2  ARG  31           HD2      ARG  31 -15.358   4.489  -9.765
  401    HD3  ARG  31           HD3      ARG  31 -16.148   3.571  -8.493
  402    HE   ARG  31           HE       ARG  31 -16.785   3.544 -11.354
  403   HH11  ARG  31          HH11      ARG  31 -18.031   2.673  -8.168
  404   HH12  ARG  31          HH12      ARG  31 -19.046   1.421  -8.840
  405   HH21  ARG  31          HH21      ARG  31 -18.158   1.963 -12.107
  406   HH22  ARG  31          HH22      ARG  31 -19.129   1.056 -10.989
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -7.294   5.989  -3.860
    2    H2   GLY   1           H2       GLY   1  -5.705   6.392  -3.879
    3    H3   GLY   1           H3       GLY   1  -6.190   4.983  -3.186
    4    HA2  GLY   1           HA2      GLY   1  -6.904   4.107  -5.315
    5    HA3  GLY   1           HA3      GLY   1  -6.388   5.629  -6.064
    6    H    ILE   2           H        ILE   2  -5.444   2.648  -6.216
    7    HA   ILE   2           HA       ILE   2  -2.743   2.659  -5.060
    8    HB   ILE   2           HB       ILE   2  -3.956   0.610  -5.032
    9   HG12  ILE   2          HG12      ILE   2  -2.019   0.308  -7.342
   10   HG13  ILE   2          HG13      ILE   2  -1.489   0.542  -5.669
   11   HG21  ILE   2          HG21      ILE   2  -4.315   0.948  -8.043
   12   HG22  ILE   2          HG22      ILE   2  -4.776  -0.483  -7.058
   13   HG23  ILE   2          HG23      ILE   2  -5.609   1.027  -6.829
   14   HD11  ILE   2          HD11      ILE   2  -2.631  -1.589  -5.051
   15   HD12  ILE   2          HD12      ILE   2  -3.017  -1.863  -6.766
   16   HD13  ILE   2          HD13      ILE   2  -1.325  -1.777  -6.241
   17    H    VAL   3           H        VAL   3  -4.063   2.995  -8.358
   18    HA   VAL   3           HA       VAL   3  -1.970   3.416  -9.999
   19    HB   VAL   3           HB       VAL   3  -4.166   5.483  -9.658
   20   HG11  VAL   3          HG11      VAL   3  -4.045   5.645 -12.120
   21   HG12  VAL   3          HG12      VAL   3  -2.488   6.025 -11.388
   22   HG13  VAL   3          HG13      VAL   3  -2.741   4.445 -12.153
   23   HG21  VAL   3          HG21      VAL   3  -4.458   2.807 -11.078
   24   HG22  VAL   3          HG22      VAL   3  -5.350   3.346  -9.637
   25   HG23  VAL   3          HG23      VAL   3  -5.576   4.166 -11.179
   26    H    GLU   4           H        GLU   4  -2.905   5.746  -7.454
   27    HA   GLU   4           HA       GLU   4  -1.112   7.756  -8.363
   28    HB2  GLU   4           HB2      GLU   4  -3.012   8.162  -6.825
   29    HB3  GLU   4           HB3      GLU   4  -2.187   7.264  -5.542
   30    HG2  GLU   4           HG2      GLU   4  -0.386   8.909  -5.469
   31    HG3  GLU   4           HG3      GLU   4  -1.030   9.739  -6.892
   32    H    GLN   5           H        GLN   5  -0.601   4.931  -6.351
   33    HA   GLN   5           HA       GLN   5   2.187   5.628  -5.713
   34    HB2  GLN   5           HB2      GLN   5   0.318   4.245  -4.329
   35    HB3  GLN   5           HB3      GLN   5   1.027   2.890  -5.142
   36    HG2  GLN   5           HG2      GLN   5   2.910   4.893  -3.823
   37    HG3  GLN   5           HG3      GLN   5   1.947   3.848  -2.798
   38   HE21  GLN   5          HE21      GLN   5   3.902   3.214  -5.861
   39   HE22  GLN   5          HE22      GLN   5   4.695   1.828  -5.126
   40    H    CYS   6           H        CYS   6   0.433   3.167  -7.630
   41    HA   CYS   6           HA       CYS   6   2.869   1.890  -8.538
   42    HB2  CYS   6           HB2      CYS   6   0.058   1.572  -9.569
   43    HB3  CYS   6           HB3      CYS   6   1.437   0.551  -9.970
   44    H    CYS   7           H        CYS   7   1.074   4.593  -9.919
   45    HA   CYS   7           HA       CYS   7   2.527   4.235 -12.468
   46    HB2  CYS   7           HB2      CYS   7   0.177   4.922 -12.475
   47    HB3  CYS   7           HB3      CYS   7   0.528   6.336 -11.531
   48    H    THR   8           H        THR   8   2.752   6.286  -9.544
   49    HA   THR   8           HA       THR   8   4.927   7.916 -10.701
   50    HB   THR   8           HB       THR   8   4.954   9.110  -8.625
   51    HG1  THR   8           HG1      THR   8   2.808   7.774  -7.518
   52   HG21  THR   8          HG21      THR   8   3.216   9.693 -10.254
   53   HG22  THR   8          HG22      THR   8   2.684   9.996  -8.584
   54   HG23  THR   8          HG23      THR   8   2.082   8.567  -9.472
   55    H    SER   9           H        SER   9   4.583   5.221  -8.461
   56    HA   SER   9           HA       SER   9   7.508   4.854  -8.499
   57    HB2  SER   9           HB2      SER   9   6.931   5.907  -6.364
   58    HB3  SER   9           HB3      SER   9   5.803   4.588  -5.996
   59    HG   SER   9           HG       SER   9   7.927   4.414  -5.030
   60    H    ILE  10           H        ILE  10   7.553   2.560  -7.042
   61    HA   ILE  10           HA       ILE  10   6.741   0.698  -9.165
   62    HB   ILE  10           HB       ILE  10   8.484  -0.771  -8.097
   63   HG12  ILE  10          HG12      ILE  10   8.894   1.690  -6.307
   64   HG13  ILE  10          HG13      ILE  10   8.464   0.069  -5.812
   65   HG21  ILE  10          HG21      ILE  10   8.821   0.772 -10.051
   66   HG22  ILE  10          HG22      ILE  10   9.437   1.996  -8.923
   67   HG23  ILE  10          HG23      ILE  10  10.292   0.453  -9.125
   68   HD11  ILE  10          HD11      ILE  10  11.084   1.092  -6.949
   69   HD12  ILE  10          HD12      ILE  10  10.763   0.536  -5.307
   70   HD13  ILE  10          HD13      ILE  10  10.762  -0.645  -6.649
   71    H    CYS  11           H        CYS  11   5.687  -1.130  -9.021
   72    HA   CYS  11           HA       CYS  11   4.580  -2.112  -6.437
   73    HB2  CYS  11           HB2      CYS  11   3.046  -1.339  -8.933
   74    HB3  CYS  11           HB3      CYS  11   2.399  -2.409  -7.693
   75    H    SER  12           H        SER  12   3.553  -4.211  -6.645
   76    HA   SER  12           HA       SER  12   4.213  -6.114  -8.752
   77    HB2  SER  12           HB2      SER  12   5.560  -7.551  -7.240
   78    HB3  SER  12           HB3      SER  12   6.357  -6.004  -7.563
   79    HG   SER  12           HG       SER  12   6.427  -6.500  -5.344
   80    H    LEU  13           H        LEU  13   3.658  -8.468  -7.441
   81    HA   LEU  13           HA       LEU  13   0.863  -8.388  -7.128
   82    HB2  LEU  13           HB2      LEU  13   1.774 -10.673  -5.671
   83    HB3  LEU  13           HB3      LEU  13   1.023 -10.581  -7.227
   84    HG   LEU  13           HG       LEU  13   3.362 -10.292  -8.232
   85   HD11  LEU  13          HD11      LEU  13   5.201 -11.229  -6.826
   86   HD12  LEU  13          HD12      LEU  13   4.109 -11.281  -5.435
   87   HD13  LEU  13          HD13      LEU  13   4.598  -9.725  -6.126
   88   HD21  LEU  13          HD21      LEU  13   2.099 -12.387  -8.371
   89   HD22  LEU  13          HD22      LEU  13   2.645 -12.855  -6.741
   90   HD23  LEU  13          HD23      LEU  13   3.803 -12.724  -8.079
   91    H    TYR  14           H        TYR  14   3.347  -8.261  -4.688
   92    HA   TYR  14           HA       TYR  14   2.037  -8.189  -2.213
   93    HB2  TYR  14           HB2      TYR  14   4.321  -8.174  -2.239
   94    HB3  TYR  14           HB3      TYR  14   4.444  -7.013  -3.536
   95    HD1  TYR  14           HD1      TYR  14   5.112  -4.888  -3.120
   96    HD2  TYR  14           HD2      TYR  14   3.233  -7.182   0.003
   97    HE1  TYR  14           HE1      TYR  14   5.505  -3.007  -1.503
   98    HE2  TYR  14           HE2      TYR  14   3.560  -5.316   1.599
   99    HH   TYR  14           HH       TYR  14   5.199  -2.246   0.643
  100    H    GLN  15           H        GLN  15   1.866  -5.744  -4.791
  101    HA   GLN  15           HA       GLN  15   0.276  -3.943  -3.000
  102    HB2  GLN  15           HB2      GLN  15   1.663  -3.341  -5.624
  103    HB3  GLN  15           HB3      GLN  15   0.715  -2.218  -4.659
  104    HG2  GLN  15           HG2      GLN  15   2.629  -3.373  -2.859
  105    HG3  GLN  15           HG3      GLN  15   3.503  -3.055  -4.352
  106   HE21  GLN  15          HE21      GLN  15   4.552  -1.037  -4.142
  107   HE22  GLN  15          HE22      GLN  15   3.807   0.325  -3.309
  108    H    LEU  16           H        LEU  16   0.268  -5.413  -6.276
  109    HA   LEU  16           HA       LEU  16  -2.307  -4.395  -7.074
  110    HB2  LEU  16           HB2      LEU  16  -0.416  -6.525  -8.036
  111    HB3  LEU  16           HB3      LEU  16  -1.989  -6.252  -8.815
  112    HG   LEU  16           HG       LEU  16   0.001  -5.312  -9.922
  113   HD11  LEU  16          HD11      LEU  16  -1.924  -3.101  -9.272
  114   HD12  LEU  16          HD12      LEU  16  -2.536  -4.557 -10.062
  115   HD13  LEU  16          HD13      LEU  16  -1.283  -3.625 -10.855
  116   HD21  LEU  16          HD21      LEU  16   1.200  -4.245  -8.121
  117   HD22  LEU  16          HD22      LEU  16  -0.190  -3.196  -7.755
  118   HD23  LEU  16          HD23      LEU  16   0.688  -3.014  -9.284
  119    H    GLU  17           H        GLU  17  -1.478  -7.418  -5.306
  120    HA   GLU  17           HA       GLU  17  -3.938  -8.705  -6.101
  121    HB2  GLU  17           HB2      GLU  17  -1.686  -9.732  -5.228
  122    HB3  GLU  17           HB3      GLU  17  -2.465  -9.570  -3.641
  123    HG2  GLU  17           HG2      GLU  17  -4.457 -10.831  -4.703
  124    HG3  GLU  17           HG3      GLU  17  -3.424 -11.063  -6.119
  125    H    ASN  18           H        ASN  18  -3.479  -6.138  -4.178
  126    HA   ASN  18           HA       ASN  18  -5.752  -6.449  -2.336
  127    HB2  ASN  18           HB2      ASN  18  -4.117  -4.038  -3.251
  128    HB3  ASN  18           HB3      ASN  18  -5.415  -3.936  -2.089
  129   HD21  ASN  18          HD21      ASN  18  -2.090  -4.556  -2.499
  130   HD22  ASN  18          HD22      ASN  18  -1.756  -5.130  -0.861
  131    H    TYR  19           H        TYR  19  -5.412  -5.761  -5.773
  132    HA   TYR  19           HA       TYR  19  -7.921  -4.154  -5.878
  133    HB2  TYR  19           HB2      TYR  19  -5.975  -5.320  -7.868
  134    HB3  TYR  19           HB3      TYR  19  -7.543  -4.748  -8.374
  135    HD1  TYR  19           HD1      TYR  19  -4.270  -3.895  -8.129
  136    HD2  TYR  19           HD2      TYR  19  -8.220  -2.321  -7.626
  137    HE1  TYR  19           HE1      TYR  19  -3.691  -2.079  -9.655
  138    HE2  TYR  19           HE2      TYR  19  -7.578  -0.261  -8.919
  139    HH   TYR  19           HH       TYR  19  -4.480  -0.148 -10.730
  140    H    CYS  20           H        CYS  20  -6.858  -7.515  -6.371
  141    HA   CYS  20           HA       CYS  20  -8.887  -8.389  -7.926
  142    HB2  CYS  20           HB2      CYS  20  -7.835 -10.106  -5.691
  143    HB3  CYS  20           HB3      CYS  20  -8.423 -10.599  -7.298
  144    H    ASN  21           H        ASN  21 -10.817  -9.649  -7.581
  145    HA   ASN  21           HA       ASN  21 -12.389  -8.502  -5.410
  146    HB2  ASN  21           HB2      ASN  21 -13.144 -10.252  -7.796
  147    HB3  ASN  21           HB3      ASN  21 -14.314  -9.679  -6.619
  148   HD21  ASN  21          HD21      ASN  21 -14.787  -9.043  -9.206
  149   HD22  ASN  21          HD22      ASN  21 -14.448  -7.338  -9.463
  150    H    SER  22           H        SER  22 -13.402  -9.562  -3.781
  151    HA   SER  22           HA       SER  22 -12.911 -12.474  -3.282
  152    HB2  SER  22           HB2      SER  22 -12.597 -10.195  -1.292
  153    HB3  SER  22           HB3      SER  22 -12.583 -11.921  -0.896
  154    HG   SER  22           HG       SER  22 -10.444 -11.079  -1.214
  155    H1   PHE   1           H1       PHE   1   9.650 -11.900  -8.457
  156    H2   PHE   1           H2       PHE   1  10.194 -12.187  -9.974
  157    H3   PHE   1           H3       PHE   1   8.975 -13.087  -9.368
  158    HA   PHE   1           HA       PHE   1   8.131 -11.478 -10.935
  159    HB2  PHE   1           HB2      PHE   1   6.851 -12.190  -8.793
  160    HB3  PHE   1           HB3      PHE   1   7.268 -10.614  -8.151
  161    HD1  PHE   1           HD1      PHE   1   6.308  -8.529  -9.237
  162    HD2  PHE   1           HD2      PHE   1   5.170 -12.500 -10.495
  163    HE1  PHE   1           HE1      PHE   1   4.337  -7.599 -10.418
  164    HE2  PHE   1           HE2      PHE   1   3.160 -11.570 -11.602
  165    HZ   PHE   1           HZ       PHE   1   2.732  -9.122 -11.558
  166    H    VAL   2           H        VAL   2   7.776  -9.260 -11.513
  167    HA   VAL   2           HA       VAL   2  10.203  -7.652 -10.969
  168    HB   VAL   2           HB       VAL   2   9.444  -6.316 -12.930
  169   HG11  VAL   2          HG11      VAL   2  10.153  -7.991 -14.568
  170   HG12  VAL   2          HG12      VAL   2  11.125  -8.105 -13.091
  171   HG13  VAL   2          HG13      VAL   2   9.851  -9.299 -13.405
  172   HG21  VAL   2          HG21      VAL   2   7.008  -6.923 -12.925
  173   HG22  VAL   2          HG22      VAL   2   7.810  -7.203 -14.480
  174   HG23  VAL   2          HG23      VAL   2   7.438  -8.572 -13.418
  175    H    LYS   3           H        LYS   3  10.311  -5.790  -9.928
  176    HA   LYS   3           HA       LYS   3   7.852  -4.394  -9.016
  177    HB2  LYS   3           HB2      LYS   3  10.798  -3.909  -8.422
  178    HB3  LYS   3           HB3      LYS   3   9.444  -3.004  -7.725
  179    HG2  LYS   3           HG2      LYS   3   8.562  -5.049  -6.674
  180    HG3  LYS   3           HG3      LYS   3   9.869  -6.017  -7.367
  181    HD2  LYS   3           HD2      LYS   3  10.266  -3.702  -5.441
  182    HD3  LYS   3           HD3      LYS   3  10.227  -5.420  -4.995
  183    HE2  LYS   3           HE2      LYS   3  12.177  -5.838  -6.487
  184    HE3  LYS   3           HE3      LYS   3  12.249  -4.113  -6.865
  185    HZ1  LYS   3           HZ1      LYS   3  12.611  -5.287  -4.159
  186    HZ2  LYS   3           HZ2      LYS   3  12.655  -3.686  -4.484
  187    HZ3  LYS   3           HZ3      LYS   3  13.802  -4.673  -5.089
  188    H    GLN   4           H        GLN   4   7.020  -2.839 -10.218
  189    HA   GLN   4           HA       GLN   4   8.692  -1.169 -12.023
  190    HB2  GLN   4           HB2      GLN   4   7.154  -1.797 -13.947
  191    HB3  GLN   4           HB3      GLN   4   8.365  -2.995 -13.463
  192    HG2  GLN   4           HG2      GLN   4   6.624  -4.280 -12.243
  193    HG3  GLN   4           HG3      GLN   4   5.427  -3.061 -12.664
  194   HE21  GLN   4          HE21      GLN   4   4.487  -5.292 -13.442
  195   HE22  GLN   4          HE22      GLN   4   4.851  -5.695 -15.115
  196    H    HIS   5           H        HIS   5   7.704   0.621 -12.949
  197    HA   HIS   5           HA       HIS   5   5.266   1.604 -11.586
  198    HB2  HIS   5           HB2      HIS   5   5.872   3.776 -12.682
  199    HB3  HIS   5           HB3      HIS   5   6.964   3.188 -11.432
  200    HD1  HIS   5           HD1      HIS   5   9.433   3.553 -12.088
  201    HD2  HIS   5           HD2      HIS   5   6.886   2.838 -15.356
  202    HE1  HIS   5           HE1      HIS   5  10.901   3.646 -14.170
  203    H    LEU   6           H        LEU   6   3.412   2.055 -12.602
  204    HA   LEU   6           HA       LEU   6   2.956   1.492 -15.476
  205    HB2  LEU   6           HB2      LEU   6   1.567   0.008 -13.210
  206    HB3  LEU   6           HB3      LEU   6   1.388  -0.283 -14.914
  207    HG   LEU   6           HG       LEU   6   3.965  -0.812 -13.459
  208   HD11  LEU   6          HD11      LEU   6   1.689  -2.697 -14.000
  209   HD12  LEU   6          HD12      LEU   6   2.227  -2.083 -12.420
  210   HD13  LEU   6          HD13      LEU   6   3.284  -3.123 -13.377
  211   HD21  LEU   6          HD21      LEU   6   4.586  -2.166 -15.295
  212   HD22  LEU   6          HD22      LEU   6   4.000  -0.684 -16.044
  213   HD23  LEU   6          HD23      LEU   6   2.970  -2.137 -15.991
  214    H    CYS   7           H        CYS   7   1.179   2.547 -16.227
  215    HA   CYS   7           HA       CYS   7  -0.717   3.854 -14.308
  216    HB2  CYS   7           HB2      CYS   7   0.949   5.094 -16.288
  217    HB3  CYS   7           HB3      CYS   7  -0.703   5.175 -16.862
  218    H    GLY   8           H        GLY   8  -2.824   3.272 -14.579
  219    HA2  GLY   8           HA2      GLY   8  -4.784   2.483 -15.516
  220    HA3  GLY   8           HA3      GLY   8  -4.192   3.207 -17.009
  221    H    SER   9           H        SER   9  -3.777   1.854 -18.681
  222    HA   SER   9           HA       SER   9  -4.485  -0.894 -18.685
  223    HB2  SER   9           HB2      SER   9  -4.419   0.695 -20.631
  224    HB3  SER   9           HB3      SER   9  -2.644   0.605 -20.598
  225    HG   SER   9           HG       SER   9  -3.632  -0.852 -22.121
  226    H    HIS  10           H        HIS  10  -1.188   0.574 -18.428
  227    HA   HIS  10           HA       HIS  10   0.264  -1.947 -18.449
  228    HB2  HIS  10           HB2      HIS  10   0.884   0.719 -17.112
  229    HB3  HIS  10           HB3      HIS  10   2.023  -0.598 -17.245
  230    HD1  HIS  10           HD1      HIS  10   2.809  -1.104 -19.961
  231    HD2  HIS  10           HD2      HIS  10   0.608   2.346 -19.026
  232    HE1  HIS  10           HE1      HIS  10   3.054   0.454 -21.973
  233    H    LEU  11           H        LEU  11  -1.385  -0.056 -15.953
  234    HA   LEU  11           HA       LEU  11  -0.214  -1.478 -13.720
  235    HB2  LEU  11           HB2      LEU  11  -1.367   0.950 -14.022
  236    HB3  LEU  11           HB3      LEU  11  -2.791   0.048 -13.543
  237    HG   LEU  11           HG       LEU  11  -0.240   0.607 -11.967
  238   HD11  LEU  11          HD11      LEU  11  -2.020   1.363 -10.332
  239   HD12  LEU  11          HD12      LEU  11  -3.214   1.052 -11.585
  240   HD13  LEU  11          HD13      LEU  11  -1.958   2.277 -11.865
  241   HD21  LEU  11          HD21      LEU  11  -1.242  -0.761 -10.121
  242   HD22  LEU  11          HD22      LEU  11  -0.575  -1.670 -11.472
  243   HD23  LEU  11          HD23      LEU  11  -2.341  -1.464 -11.337
  244    H    VAL  12           H        VAL  12  -3.278  -1.598 -15.516
  245    HA   VAL  12           HA       VAL  12  -4.364  -3.926 -14.228
  246    HB   VAL  12           HB       VAL  12  -4.812  -2.778 -17.001
  247   HG11  VAL  12          HG11      VAL  12  -5.319  -5.130 -17.259
  248   HG12  VAL  12          HG12      VAL  12  -6.190  -5.164 -15.710
  249   HG13  VAL  12          HG13      VAL  12  -6.838  -4.250 -17.101
  250   HG21  VAL  12          HG21      VAL  12  -6.542  -2.905 -14.498
  251   HG22  VAL  12          HG22      VAL  12  -5.671  -1.465 -15.064
  252   HG23  VAL  12          HG23      VAL  12  -6.982  -2.128 -16.036
  253    H    GLU  13           H        GLU  13  -1.812  -3.596 -16.757
  254    HA   GLU  13           HA       GLU  13  -1.882  -6.377 -17.473
  255    HB2  GLU  13           HB2      GLU  13  -0.792  -4.447 -18.755
  256    HB3  GLU  13           HB3      GLU  13   0.576  -4.622 -17.646
  257    HG2  GLU  13           HG2      GLU  13   0.931  -6.925 -18.373
  258    HG3  GLU  13           HG3      GLU  13  -0.540  -6.877 -19.353
  259    H    ALA  14           H        ALA  14  -0.559  -4.715 -14.663
  260    HA   ALA  14           HA       ALA  14   0.832  -7.178 -13.722
  261    HB1  ALA  14           HB1      ALA  14   1.239  -5.804 -11.714
  262    HB2  ALA  14           HB2      ALA  14   1.873  -5.045 -13.203
  263    HB3  ALA  14           HB3      ALA  14   0.379  -4.434 -12.484
  264    H    LEU  15           H        LEU  15  -2.002  -5.153 -12.793
  265    HA   LEU  15           HA       LEU  15  -3.100  -6.600 -10.768
  266    HB2  LEU  15           HB2      LEU  15  -3.712  -4.411 -12.192
  267    HB3  LEU  15           HB3      LEU  15  -4.815  -5.531 -13.012
  268    HG   LEU  15           HG       LEU  15  -4.714  -4.755 -10.111
  269   HD11  LEU  15          HD11      LEU  15  -5.626  -3.071 -11.633
  270   HD12  LEU  15          HD12      LEU  15  -6.931  -3.779 -10.672
  271   HD13  LEU  15          HD13      LEU  15  -6.688  -4.275 -12.367
  272   HD21  LEU  15          HD21      LEU  15  -5.304  -6.969 -10.043
  273   HD22  LEU  15          HD22      LEU  15  -6.359  -6.854 -11.483
  274   HD23  LEU  15          HD23      LEU  15  -6.809  -6.091  -9.938
  275    H    TYR  16           H        TYR  16  -3.736  -7.102 -14.207
  276    HA   TYR  16           HA       TYR  16  -5.616  -9.262 -14.059
  277    HB2  TYR  16           HB2      TYR  16  -5.111  -7.537 -15.876
  278    HB3  TYR  16           HB3      TYR  16  -3.702  -8.491 -16.321
  279    HD1  TYR  16           HD1      TYR  16  -4.564 -11.215 -16.650
  280    HD2  TYR  16           HD2      TYR  16  -6.714  -7.546 -17.426
  281    HE1  TYR  16           HE1      TYR  16  -6.054 -12.439 -18.171
  282    HE2  TYR  16           HE2      TYR  16  -8.218  -8.796 -18.993
  283    HH   TYR  16           HH       TYR  16  -7.876 -12.309 -19.593
  284    H    LEU  17           H        LEU  17  -2.116  -9.203 -13.951
  285    HA   LEU  17           HA       LEU  17  -1.771 -12.067 -14.534
  286    HB2  LEU  17           HB2      LEU  17  -0.196 -10.299 -15.293
  287    HB3  LEU  17           HB3      LEU  17   0.094  -9.801 -13.658
  288    HG   LEU  17           HG       LEU  17   1.095 -11.868 -13.012
  289   HD11  LEU  17          HD11      LEU  17   0.031 -13.500 -14.514
  290   HD12  LEU  17          HD12      LEU  17   1.778 -13.557 -14.741
  291   HD13  LEU  17          HD13      LEU  17   0.767 -12.714 -15.934
  292   HD21  LEU  17          HD21      LEU  17   3.188 -11.628 -14.296
  293   HD22  LEU  17          HD22      LEU  17   2.483 -10.044 -13.938
  294   HD23  LEU  17          HD23      LEU  17   2.318 -10.735 -15.562
  295    H    VAL  18           H        VAL  18  -1.518  -9.763 -11.900
  296    HA   VAL  18           HA       VAL  18  -0.725 -11.445  -9.743
  297    HB   VAL  18           HB       VAL  18  -2.043  -8.682  -9.993
  298   HG11  VAL  18          HG11      VAL  18  -1.231 -10.277  -7.533
  299   HG12  VAL  18          HG12      VAL  18  -1.271  -8.516  -7.551
  300   HG13  VAL  18          HG13      VAL  18  -2.757  -9.421  -7.869
  301   HG21  VAL  18          HG21      VAL  18   0.379  -9.117 -10.769
  302   HG22  VAL  18          HG22      VAL  18   0.258  -7.965  -9.460
  303   HG23  VAL  18          HG23      VAL  18   0.754  -9.638  -9.153
  304    H    CYS  19           H        CYS  19  -3.869 -10.427 -10.953
  305    HA   CYS  19           HA       CYS  19  -5.335 -12.043  -8.948
  306    HB2  CYS  19           HB2      CYS  19  -6.267 -10.423 -11.316
  307    HB3  CYS  19           HB3      CYS  19  -7.336 -11.220 -10.143
  308    H    GLY  20           H        GLY  20  -4.086 -12.413 -12.191
  309    HA2  GLY  20           HA2      GLY  20  -4.148 -14.128 -13.701
  310    HA3  GLY  20           HA3      GLY  20  -4.214 -15.192 -12.281
  311    H    GLU  21           H        GLU  21  -6.519 -12.930 -13.786
  312    HA   GLU  21           HA       GLU  21  -8.652 -13.028 -14.396
  313    HB2  GLU  21           HB2      GLU  21  -7.486 -14.840 -15.900
  314    HB3  GLU  21           HB3      GLU  21  -8.547 -15.952 -15.038
  315    HG2  GLU  21           HG2      GLU  21 -10.514 -14.588 -15.791
  316    HG3  GLU  21           HG3      GLU  21  -9.413 -13.487 -16.625
  317    H    ARG  22           H        ARG  22  -7.967 -14.086 -11.475
  318    HA   ARG  22           HA       ARG  22 -10.474 -15.286 -10.606
  319    HB2  ARG  22           HB2      ARG  22  -8.381 -13.640  -9.124
  320    HB3  ARG  22           HB3      ARG  22  -9.792 -14.335  -8.346
  321    HG2  ARG  22           HG2      ARG  22  -9.136 -16.596  -8.928
  322    HG3  ARG  22           HG3      ARG  22  -7.729 -16.021  -9.826
  323    HD2  ARG  22           HD2      ARG  22  -8.180 -15.492  -6.857
  324    HD3  ARG  22           HD3      ARG  22  -7.265 -16.875  -7.479
  325    HE   ARG  22           HE       ARG  22  -6.085 -14.719  -8.722
  326   HH11  ARG  22          HH11      ARG  22  -6.580 -15.405  -5.272
  327   HH12  ARG  22          HH12      ARG  22  -5.123 -14.498  -4.863
  328   HH21  ARG  22          HH21      ARG  22  -4.140 -13.688  -7.944
  329   HH22  ARG  22          HH22      ARG  22  -3.931 -13.660  -6.205
  330    H    GLY  23           H        GLY  23  -9.750 -12.121 -11.652
  331    HA2  GLY  23           HA2      GLY  23 -11.348 -10.486 -12.205
  332    HA3  GLY  23           HA3      GLY  23 -12.471 -11.107 -10.994
  333    H    PHE  24           H        PHE  24 -11.839  -8.423 -11.330
  334    HA   PHE  24           HA       PHE  24 -10.702  -7.436  -8.819
  335    HB2  PHE  24           HB2      PHE  24  -8.889  -6.250  -9.945
  336    HB3  PHE  24           HB3      PHE  24  -8.657  -7.980  -9.949
  337    HD1  PHE  24           HD1      PHE  24  -8.822  -5.047 -11.999
  338    HD2  PHE  24           HD2      PHE  24  -8.901  -9.343 -12.025
  339    HE1  PHE  24           HE1      PHE  24  -8.137  -5.036 -14.406
  340    HE2  PHE  24           HE2      PHE  24  -8.381  -9.345 -14.442
  341    HZ   PHE  24           HZ       PHE  24  -8.003  -7.189 -15.637
  342    H    PHE  25           H        PHE  25 -10.529  -5.151  -8.744
  343    HA   PHE  25           HA       PHE  25 -12.383  -3.554 -10.473
  344    HB2  PHE  25           HB2      PHE  25 -12.980  -3.695  -8.079
  345    HB3  PHE  25           HB3      PHE  25 -11.366  -3.172  -7.627
  346    HD1  PHE  25           HD1      PHE  25 -10.729  -0.830  -7.677
  347    HD2  PHE  25           HD2      PHE  25 -14.588  -2.115  -9.126
  348    HE1  PHE  25           HE1      PHE  25 -11.545   1.509  -7.595
  349    HE2  PHE  25           HE2      PHE  25 -15.399   0.227  -9.039
  350    HZ   PHE  25           HZ       PHE  25 -13.886   2.039  -8.248
  351    H    TYR  26           H        TYR  26 -11.432  -1.600 -11.383
  352    HA   TYR  26           HA       TYR  26  -8.531  -1.129 -10.946
  353    HB2  TYR  26           HB2      TYR  26  -8.040  -1.392 -13.357
  354    HB3  TYR  26           HB3      TYR  26  -8.488  -2.862 -12.544
  355    HD1  TYR  26           HD1      TYR  26  -9.537  -0.398 -15.077
  356    HD2  TYR  26           HD2      TYR  26 -10.523  -4.055 -13.029
  357    HE1  TYR  26           HE1      TYR  26 -11.311  -0.861 -16.769
  358    HE2  TYR  26           HE2      TYR  26 -12.326  -4.514 -14.697
  359    HH   TYR  26           HH       TYR  26 -12.967  -2.298 -17.450
  360    H    THR  27           H        THR  27 -11.268   0.459 -10.903
  361    HA   THR  27           HA       THR  27 -11.213   2.412 -12.922
  362    HB   THR  27           HB       THR  27 -12.232   2.609 -10.087
  363    HG1  THR  27           HG1      THR  27 -14.152   1.909 -11.050
  364   HG21  THR  27          HG21      THR  27 -13.921   4.205 -11.113
  365   HG22  THR  27          HG22      THR  27 -12.942   4.218 -12.594
  366   HG23  THR  27          HG23      THR  27 -12.279   4.850 -11.064
  367    HA   PRO  28           HA       PRO  28  -7.723   4.795 -11.244
  368    HB2  PRO  28           HB2      PRO  28  -7.014   6.218 -13.428
  369    HB3  PRO  28           HB3      PRO  28  -6.834   4.437 -13.384
  370    HG2  PRO  28           HG2      PRO  28  -9.114   6.040 -14.594
  371    HG3  PRO  28           HG3      PRO  28  -8.168   4.722 -15.350
  372    HD2  PRO  28           HD2      PRO  28 -10.591   4.296 -14.113
  373    HD3  PRO  28           HD3      PRO  28  -9.282   3.077 -14.130
  374    H    LYS  29           H        LYS  29 -10.752   6.073 -12.226
  375    HA   LYS  29           HA       LYS  29 -10.342   8.836 -12.247
  376    HB2  LYS  29           HB2      LYS  29 -12.304   7.631 -13.097
  377    HB3  LYS  29           HB3      LYS  29 -12.845   7.284 -11.454
  378    HG2  LYS  29           HG2      LYS  29 -13.351   9.585 -11.021
  379    HG3  LYS  29           HG3      LYS  29 -12.436  10.133 -12.429
  380    HD2  LYS  29           HD2      LYS  29 -14.802  10.297 -12.938
  381    HD3  LYS  29           HD3      LYS  29 -14.051   9.076 -13.941
  382    HE2  LYS  29           HE2      LYS  29 -16.079   8.109 -13.351
  383    HE3  LYS  29           HE3      LYS  29 -14.930   7.317 -12.282
  384    HZ1  LYS  29           HZ1      LYS  29 -16.939   8.045 -11.105
  385    HZ2  LYS  29           HZ2      LYS  29 -16.682   9.602 -11.518
  386    HZ3  LYS  29           HZ3      LYS  29 -15.663   8.843 -10.488
  387    H    THR  30           H        THR  30 -10.862   6.822  -9.425
  388    HA   THR  30           HA       THR  30 -10.890   7.192  -7.186
  389    HB   THR  30           HB       THR  30  -8.766   9.286  -7.681
  390    HG1  THR  30           HG1      THR  30  -8.284   7.567  -9.007
  391   HG21  THR  30          HG21      THR  30  -7.645   8.086  -5.786
  392   HG22  THR  30          HG22      THR  30  -9.099   7.082  -5.584
  393   HG23  THR  30          HG23      THR  30  -9.156   8.832  -5.279
  394    H    ARG  31           H        ARG  31 -12.882   8.753  -8.555
  395    HA   ARG  31           HA       ARG  31 -13.651  10.739  -6.495
  396    HB2  ARG  31           HB2      ARG  31 -13.313  11.281  -9.468
  397    HB3  ARG  31           HB3      ARG  31 -14.425  12.220  -8.477
  398    HG2  ARG  31           HG2      ARG  31 -12.726  13.196  -7.185
  399    HG3  ARG  31           HG3      ARG  31 -11.515  11.998  -7.642
  400    HD2  ARG  31           HD2      ARG  31 -12.742  13.932  -9.631
  401    HD3  ARG  31           HD3      ARG  31 -11.253  14.259  -8.728
  402    HE   ARG  31           HE       ARG  31 -10.932  11.717  -9.897
  403   HH11  ARG  31          HH11      ARG  31 -11.218  14.986 -11.120
  404   HH12  ARG  31          HH12      ARG  31 -10.233  14.634 -12.516
  405   HH21  ARG  31          HH21      ARG  31  -9.704  11.344 -11.595
  406   HH22  ARG  31          HH22      ARG  31  -9.387  12.582 -12.793
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -5.523   6.406  -3.880
    2    H2   GLY   1           H2       GLY   1  -7.064   6.516  -4.442
    3    H3   GLY   1           H3       GLY   1  -5.811   6.741  -5.464
    4    HA2  GLY   1           HA2      GLY   1  -6.532   4.210  -4.131
    5    HA3  GLY   1           HA3      GLY   1  -6.747   4.575  -5.850
    6    H    ILE   2           H        ILE   2  -5.427   2.473  -5.935
    7    HA   ILE   2           HA       ILE   2  -2.696   2.463  -4.909
    8    HB   ILE   2           HB       ILE   2  -3.786   0.395  -4.884
    9   HG12  ILE   2          HG12      ILE   2  -2.144   0.202  -7.435
   10   HG13  ILE   2          HG13      ILE   2  -1.414   0.417  -5.832
   11   HG21  ILE   2          HG21      ILE   2  -5.670   0.800  -6.377
   12   HG22  ILE   2          HG22      ILE   2  -4.581   0.923  -7.780
   13   HG23  ILE   2          HG23      ILE   2  -4.831  -0.626  -6.891
   14   HD11  ILE   2          HD11      ILE   2  -3.061  -2.001  -6.692
   15   HD12  ILE   2          HD12      ILE   2  -1.303  -1.884  -6.515
   16   HD13  ILE   2          HD13      ILE   2  -2.348  -1.703  -5.087
   17    H    VAL   3           H        VAL   3  -4.097   2.818  -8.171
   18    HA   VAL   3           HA       VAL   3  -2.100   3.333  -9.879
   19    HB   VAL   3           HB       VAL   3  -4.314   5.349  -9.364
   20   HG11  VAL   3          HG11      VAL   3  -4.316   5.578 -11.823
   21   HG12  VAL   3          HG12      VAL   3  -2.726   5.969 -11.167
   22   HG13  VAL   3          HG13      VAL   3  -3.001   4.396 -11.949
   23   HG21  VAL   3          HG21      VAL   3  -4.605   2.707 -10.839
   24   HG22  VAL   3          HG22      VAL   3  -5.450   3.183  -9.352
   25   HG23  VAL   3          HG23      VAL   3  -5.774   4.024 -10.866
   26    H    GLU   4           H        GLU   4  -2.899   5.562  -7.191
   27    HA   GLU   4           HA       GLU   4  -1.145   7.592  -8.174
   28    HB2  GLU   4           HB2      GLU   4  -2.975   7.998  -6.559
   29    HB3  GLU   4           HB3      GLU   4  -2.079   7.100  -5.316
   30    HG2  GLU   4           HG2      GLU   4  -0.287   8.746  -5.346
   31    HG3  GLU   4           HG3      GLU   4  -1.022   9.585  -6.717
   32    H    GLN   5           H        GLN   5  -0.596   4.759  -6.165
   33    HA   GLN   5           HA       GLN   5   2.190   5.389  -5.510
   34    HB2  GLN   5           HB2      GLN   5   0.314   3.873  -4.290
   35    HB3  GLN   5           HB3      GLN   5   1.045   2.612  -5.252
   36    HG2  GLN   5           HG2      GLN   5   2.509   4.453  -3.303
   37    HG3  GLN   5           HG3      GLN   5   2.019   2.784  -2.982
   38   HE21  GLN   5          HE21      GLN   5   2.997   1.078  -4.491
   39   HE22  GLN   5          HE22      GLN   5   4.616   1.373  -5.125
   40    H    CYS   6           H        CYS   6   0.509   3.002  -7.589
   41    HA   CYS   6           HA       CYS   6   2.925   1.875  -8.651
   42    HB2  CYS   6           HB2      CYS   6   0.105   1.624  -9.684
   43    HB3  CYS   6           HB3      CYS   6   1.477   0.604 -10.110
   44    H    CYS   7           H        CYS   7   0.856   4.499  -9.987
   45    HA   CYS   7           HA       CYS   7   2.230   4.305 -12.575
   46    HB2  CYS   7           HB2      CYS   7  -0.123   5.013 -12.372
   47    HB3  CYS   7           HB3      CYS   7   0.310   6.339 -11.346
   48    H    THR   8           H        THR   8   2.672   6.163  -9.560
   49    HA   THR   8           HA       THR   8   4.712   7.914 -10.787
   50    HB   THR   8           HB       THR   8   4.932   8.958  -8.629
   51    HG1  THR   8           HG1      THR   8   2.800   7.576  -7.517
   52   HG21  THR   8          HG21      THR   8   2.020   8.520  -9.398
   53   HG22  THR   8          HG22      THR   8   3.144   9.692 -10.125
   54   HG23  THR   8          HG23      THR   8   2.662   9.866  -8.417
   55    H    SER   9           H        SER   9   4.608   5.177  -8.500
   56    HA   SER   9           HA       SER   9   7.526   4.817  -8.895
   57    HB2  SER   9           HB2      SER   9   6.218   4.543  -6.187
   58    HB3  SER   9           HB3      SER   9   7.921   4.366  -6.565
   59    HG   SER   9           HG       SER   9   7.417   6.425  -5.651
   60    H    ILE  10           H        ILE  10   8.009   2.575  -7.504
   61    HA   ILE  10           HA       ILE  10   6.857   0.688  -9.325
   62    HB   ILE  10           HB       ILE  10   8.439  -0.918  -8.212
   63   HG12  ILE  10          HG12      ILE  10   9.314   1.571  -6.651
   64   HG13  ILE  10          HG13      ILE  10   8.440   0.211  -5.957
   65   HG21  ILE  10          HG21      ILE  10   9.620   1.730  -9.168
   66   HG22  ILE  10          HG22      ILE  10  10.346   0.114  -9.316
   67   HG23  ILE  10          HG23      ILE  10   8.886   0.516 -10.226
   68   HD11  ILE  10          HD11      ILE  10  11.237   0.144  -7.136
   69   HD12  ILE  10          HD12      ILE  10  10.785   0.090  -5.425
   70   HD13  ILE  10          HD13      ILE  10  10.362  -1.267  -6.494
   71    H    CYS  11           H        CYS  11   5.743  -1.113  -9.113
   72    HA   CYS  11           HA       CYS  11   4.646  -1.974  -6.488
   73    HB2  CYS  11           HB2      CYS  11   3.118  -1.385  -9.037
   74    HB3  CYS  11           HB3      CYS  11   2.502  -2.471  -7.803
   75    H    SER  12           H        SER  12   3.622  -4.114  -6.646
   76    HA   SER  12           HA       SER  12   4.580  -6.134  -8.529
   77    HB2  SER  12           HB2      SER  12   6.549  -5.789  -7.027
   78    HB3  SER  12           HB3      SER  12   5.519  -6.091  -5.621
   79    HG   SER  12           HG       SER  12   6.684  -7.957  -6.295
   80    H    LEU  13           H        LEU  13   3.781  -8.419  -7.359
   81    HA   LEU  13           HA       LEU  13   1.031  -8.417  -7.123
   82    HB2  LEU  13           HB2      LEU  13   2.645 -10.314  -5.421
   83    HB3  LEU  13           HB3      LEU  13   1.119 -10.570  -6.220
   84    HG   LEU  13           HG       LEU  13   2.859 -10.184  -8.385
   85   HD11  LEU  13          HD11      LEU  13   4.270 -11.764  -6.182
   86   HD12  LEU  13          HD12      LEU  13   4.829 -10.239  -6.916
   87   HD13  LEU  13          HD13      LEU  13   4.751 -11.723  -7.883
   88   HD21  LEU  13          HD21      LEU  13   1.115 -11.948  -8.160
   89   HD22  LEU  13          HD22      LEU  13   2.164 -12.818  -7.020
   90   HD23  LEU  13          HD23      LEU  13   2.667 -12.598  -8.713
   91    H    TYR  14           H        TYR  14   3.406  -7.984  -4.570
   92    HA   TYR  14           HA       TYR  14   2.001  -7.951  -2.214
   93    HB2  TYR  14           HB2      TYR  14   4.549  -7.228  -3.165
   94    HB3  TYR  14           HB3      TYR  14   3.949  -5.733  -2.505
   95    HD1  TYR  14           HD1      TYR  14   4.869  -9.228  -1.837
   96    HD2  TYR  14           HD2      TYR  14   3.571  -5.527  -0.050
   97    HE1  TYR  14           HE1      TYR  14   5.478 -10.113   0.431
   98    HE2  TYR  14           HE2      TYR  14   4.192  -6.392   2.204
   99    HH   TYR  14           HH       TYR  14   5.044  -8.145   3.402
  100    H    GLN  15           H        GLN  15   1.786  -5.423  -4.718
  101    HA   GLN  15           HA       GLN  15  -0.108  -3.833  -3.015
  102    HB2  GLN  15           HB2      GLN  15   1.381  -3.212  -5.602
  103    HB3  GLN  15           HB3      GLN  15   0.266  -2.117  -4.788
  104    HG2  GLN  15           HG2      GLN  15   2.516  -3.128  -3.074
  105    HG3  GLN  15           HG3      GLN  15   2.977  -2.165  -4.454
  106   HE21  GLN  15          HE21      GLN  15   1.252  -2.125  -1.339
  107   HE22  GLN  15          HE22      GLN  15   1.039  -0.380  -1.307
  108    H    LEU  16           H        LEU  16   0.249  -5.535  -6.162
  109    HA   LEU  16           HA       LEU  16  -2.281  -4.600  -7.158
  110    HB2  LEU  16           HB2      LEU  16  -0.273  -6.655  -8.029
  111    HB3  LEU  16           HB3      LEU  16  -1.832  -6.434  -8.869
  112    HG   LEU  16           HG       LEU  16   0.121  -5.405  -9.937
  113   HD11  LEU  16          HD11      LEU  16  -1.760  -3.197  -9.274
  114   HD12  LEU  16          HD12      LEU  16  -2.467  -4.653  -9.979
  115   HD13  LEU  16          HD13      LEU  16  -1.216  -3.792 -10.865
  116   HD21  LEU  16          HD21      LEU  16   0.749  -3.114  -9.245
  117   HD22  LEU  16          HD22      LEU  16   1.321  -4.373  -8.150
  118   HD23  LEU  16          HD23      LEU  16  -0.089  -3.381  -7.705
  119    H    GLU  17           H        GLU  17  -1.565  -7.668  -5.339
  120    HA   GLU  17           HA       GLU  17  -4.202  -8.645  -6.131
  121    HB2  GLU  17           HB2      GLU  17  -3.828 -10.406  -4.235
  122    HB3  GLU  17           HB3      GLU  17  -3.239 -10.534  -5.865
  123    HG2  GLU  17           HG2      GLU  17  -1.580 -11.316  -4.448
  124    HG3  GLU  17           HG3      GLU  17  -1.005  -9.851  -5.188
  125    H    ASN  18           H        ASN  18  -3.423  -6.223  -4.249
  126    HA   ASN  18           HA       ASN  18  -5.614  -6.341  -2.341
  127    HB2  ASN  18           HB2      ASN  18  -3.364  -4.888  -2.425
  128    HB3  ASN  18           HB3      ASN  18  -4.319  -3.820  -3.431
  129   HD21  ASN  18          HD21      ASN  18  -3.615  -2.383  -1.624
  130   HD22  ASN  18          HD22      ASN  18  -4.658  -2.302  -0.213
  131    H    TYR  19           H        TYR  19  -5.387  -5.793  -5.793
  132    HA   TYR  19           HA       TYR  19  -7.876  -4.139  -5.883
  133    HB2  TYR  19           HB2      TYR  19  -6.020  -5.374  -7.906
  134    HB3  TYR  19           HB3      TYR  19  -7.598  -4.777  -8.371
  135    HD1  TYR  19           HD1      TYR  19  -8.185  -2.315  -7.836
  136    HD2  TYR  19           HD2      TYR  19  -4.245  -4.002  -8.024
  137    HE1  TYR  19           HE1      TYR  19  -7.338  -0.230  -8.989
  138    HE2  TYR  19           HE2      TYR  19  -3.504  -2.183  -9.484
  139    HH   TYR  19           HH       TYR  19  -4.097  -0.167 -10.498
  140    H    CYS  20           H        CYS  20  -6.828  -7.521  -6.375
  141    HA   CYS  20           HA       CYS  20  -8.911  -8.366  -7.906
  142    HB2  CYS  20           HB2      CYS  20  -7.915 -10.139  -5.684
  143    HB3  CYS  20           HB3      CYS  20  -8.446 -10.575  -7.331
  144    H    ASN  21           H        ASN  21 -10.934  -9.449  -7.524
  145    HA   ASN  21           HA       ASN  21 -12.204  -8.785  -4.960
  146    HB2  ASN  21           HB2      ASN  21 -14.257  -9.861  -5.983
  147    HB3  ASN  21           HB3      ASN  21 -13.633  -8.447  -6.821
  148   HD21  ASN  21          HD21      ASN  21 -12.881 -12.040  -7.032
  149   HD22  ASN  21          HD22      ASN  21 -12.962 -12.004  -8.780
  150    H    SER  22           H        SER  22 -10.375 -11.366  -6.155
  151    HA   SER  22           HA       SER  22 -11.169 -13.217  -3.960
  152    HB2  SER  22           HB2      SER  22 -10.818 -14.011  -6.869
  153    HB3  SER  22           HB3      SER  22 -11.125 -15.103  -5.504
  154    HG   SER  22           HG       SER  22 -13.104 -14.637  -6.498
  155    H1   PHE   1           H1       PHE   1  10.145 -12.198 -10.310
  156    H2   PHE   1           H2       PHE   1   8.896 -13.055  -9.695
  157    H3   PHE   1           H3       PHE   1   9.647 -11.916  -8.786
  158    HA   PHE   1           HA       PHE   1   8.083 -11.397 -11.221
  159    HB2  PHE   1           HB2      PHE   1   6.846 -12.038  -9.028
  160    HB3  PHE   1           HB3      PHE   1   7.361 -10.477  -8.418
  161    HD1  PHE   1           HD1      PHE   1   6.367  -8.377  -9.352
  162    HD2  PHE   1           HD2      PHE   1   5.167 -12.272 -10.776
  163    HE1  PHE   1           HE1      PHE   1   4.363  -7.377 -10.418
  164    HE2  PHE   1           HE2      PHE   1   3.140 -11.269 -11.786
  165    HZ   PHE   1           HZ       PHE   1   2.731  -8.822 -11.607
  166    H    VAL   2           H        VAL   2   7.806  -9.156 -11.778
  167    HA   VAL   2           HA       VAL   2  10.321  -7.662 -11.276
  168    HB   VAL   2           HB       VAL   2   9.590  -6.307 -13.251
  169   HG11  VAL   2          HG11      VAL   2   9.980  -9.297 -13.693
  170   HG12  VAL   2          HG12      VAL   2  10.309  -8.008 -14.862
  171   HG13  VAL   2          HG13      VAL   2  11.268  -8.107 -13.380
  172   HG21  VAL   2          HG21      VAL   2   7.979  -7.205 -14.818
  173   HG22  VAL   2          HG22      VAL   2   7.592  -8.563 -13.756
  174   HG23  VAL   2          HG23      VAL   2   7.148  -6.915 -13.289
  175    H    LYS   3           H        LYS   3  10.465  -5.868 -10.136
  176    HA   LYS   3           HA       LYS   3   8.068  -4.403  -9.205
  177    HB2  LYS   3           HB2      LYS   3  11.024  -3.835  -8.719
  178    HB3  LYS   3           HB3      LYS   3   9.644  -3.054  -7.926
  179    HG2  LYS   3           HG2      LYS   3   8.967  -5.240  -6.935
  180    HG3  LYS   3           HG3      LYS   3  10.339  -6.019  -7.731
  181    HD2  LYS   3           HD2      LYS   3  11.896  -4.460  -6.499
  182    HD3  LYS   3           HD3      LYS   3  10.489  -3.876  -5.580
  183    HE2  LYS   3           HE2      LYS   3  10.024  -6.211  -4.852
  184    HE3  LYS   3           HE3      LYS   3  11.398  -6.782  -5.813
  185    HZ1  LYS   3           HZ1      LYS   3  12.865  -5.467  -4.368
  186    HZ2  LYS   3           HZ2      LYS   3  11.994  -6.504  -3.458
  187    HZ3  LYS   3           HZ3      LYS   3  11.595  -4.917  -3.491
  188    H    GLN   4           H        GLN   4   7.181  -2.847 -10.357
  189    HA   GLN   4           HA       GLN   4   8.751  -1.120 -12.197
  190    HB2  GLN   4           HB2      GLN   4   7.201  -1.742 -14.093
  191    HB3  GLN   4           HB3      GLN   4   8.423  -2.940 -13.651
  192    HG2  GLN   4           HG2      GLN   4   6.700  -4.243 -12.409
  193    HG3  GLN   4           HG3      GLN   4   5.492  -3.045 -12.831
  194   HE21  GLN   4          HE21      GLN   4   4.605  -5.310 -13.601
  195   HE22  GLN   4          HE22      GLN   4   4.948  -5.683 -15.287
  196    H    HIS   5           H        HIS   5   7.728   0.698 -12.955
  197    HA   HIS   5           HA       HIS   5   5.273   1.535 -11.541
  198    HB2  HIS   5           HB2      HIS   5   5.781   3.756 -12.548
  199    HB3  HIS   5           HB3      HIS   5   6.929   3.156 -11.357
  200    HD1  HIS   5           HD1      HIS   5   9.367   3.643 -12.080
  201    HD2  HIS   5           HD2      HIS   5   6.735   2.966 -15.290
  202    HE1  HIS   5           HE1      HIS   5  10.753   3.896 -14.208
  203    H    LEU   6           H        LEU   6   3.404   2.004 -12.528
  204    HA   LEU   6           HA       LEU   6   2.932   1.461 -15.406
  205    HB2  LEU   6           HB2      LEU   6   1.587  -0.095 -13.168
  206    HB3  LEU   6           HB3      LEU   6   1.400  -0.339 -14.880
  207    HG   LEU   6           HG       LEU   6   4.004  -0.868 -13.475
  208   HD11  LEU   6          HD11      LEU   6   2.315  -2.186 -12.436
  209   HD12  LEU   6          HD12      LEU   6   3.328  -3.194 -13.467
  210   HD13  LEU   6          HD13      LEU   6   1.709  -2.728 -14.010
  211   HD21  LEU   6          HD21      LEU   6   4.005  -0.682 -16.059
  212   HD22  LEU   6          HD22      LEU   6   2.980  -2.147 -16.019
  213   HD23  LEU   6          HD23      LEU   6   4.606  -2.175 -15.339
  214    H    CYS   7           H        CYS   7   1.189   2.505 -16.141
  215    HA   CYS   7           HA       CYS   7  -0.682   3.884 -14.252
  216    HB2  CYS   7           HB2      CYS   7   0.379   4.799 -16.937
  217    HB3  CYS   7           HB3      CYS   7  -0.715   5.699 -15.891
  218    H    GLY   8           H        GLY   8  -2.802   3.248 -14.555
  219    HA2  GLY   8           HA2      GLY   8  -4.753   2.525 -15.560
  220    HA3  GLY   8           HA3      GLY   8  -4.128   3.243 -17.044
  221    H    SER   9           H        SER   9  -3.860   1.870 -18.721
  222    HA   SER   9           HA       SER   9  -4.452  -0.867 -18.748
  223    HB2  SER   9           HB2      SER   9  -2.578   0.665 -20.607
  224    HB3  SER   9           HB3      SER   9  -3.446  -0.848 -20.987
  225    HG   SER   9           HG       SER   9  -4.547   0.987 -21.821
  226    H    HIS  10           H        HIS  10  -1.191   0.622 -18.357
  227    HA   HIS  10           HA       HIS  10   0.251  -1.922 -18.425
  228    HB2  HIS  10           HB2      HIS  10   0.912   0.734 -17.091
  229    HB3  HIS  10           HB3      HIS  10   2.037  -0.586 -17.244
  230    HD1  HIS  10           HD1      HIS  10   2.784  -1.103 -19.971
  231    HD2  HIS  10           HD2      HIS  10   0.670   2.387 -18.996
  232    HE1  HIS  10           HE1      HIS  10   3.057   0.464 -21.966
  233    H    LEU  11           H        LEU  11  -1.381  -0.044 -15.920
  234    HA   LEU  11           HA       LEU  11  -0.210  -1.470 -13.689
  235    HB2  LEU  11           HB2      LEU  11  -1.381   0.942 -13.974
  236    HB3  LEU  11           HB3      LEU  11  -2.815   0.023 -13.542
  237    HG   LEU  11           HG       LEU  11  -0.277   0.487 -11.902
  238   HD11  LEU  11          HD11      LEU  11  -2.085   1.318 -10.312
  239   HD12  LEU  11          HD12      LEU  11  -3.212   1.211 -11.680
  240   HD13  LEU  11          HD13      LEU  11  -1.804   2.284 -11.793
  241   HD21  LEU  11          HD21      LEU  11  -1.453  -0.829 -10.100
  242   HD22  LEU  11          HD22      LEU  11  -0.764  -1.748 -11.431
  243   HD23  LEU  11          HD23      LEU  11  -2.520  -1.465 -11.384
  244    H    VAL  12           H        VAL  12  -3.277  -1.594 -15.491
  245    HA   VAL  12           HA       VAL  12  -4.372  -3.956 -14.284
  246    HB   VAL  12           HB       VAL  12  -4.729  -2.781 -17.062
  247   HG11  VAL  12          HG11      VAL  12  -5.261  -5.122 -17.331
  248   HG12  VAL  12          HG12      VAL  12  -6.149  -5.148 -15.793
  249   HG13  VAL  12          HG13      VAL  12  -6.779  -4.237 -17.191
  250   HG21  VAL  12          HG21      VAL  12  -6.536  -2.888 -14.609
  251   HG22  VAL  12          HG22      VAL  12  -5.616  -1.463 -15.144
  252   HG23  VAL  12          HG23      VAL  12  -6.913  -2.096 -16.156
  253    H    GLU  13           H        GLU  13  -1.741  -3.575 -16.745
  254    HA   GLU  13           HA       GLU  13  -1.792  -6.352 -17.528
  255    HB2  GLU  13           HB2      GLU  13  -0.634  -4.310 -18.695
  256    HB3  GLU  13           HB3      GLU  13   0.692  -4.632 -17.573
  257    HG2  GLU  13           HG2      GLU  13   1.235  -5.716 -19.598
  258    HG3  GLU  13           HG3      GLU  13   0.817  -6.986 -18.463
  259    H    ALA  14           H        ALA  14  -0.536  -4.736 -14.658
  260    HA   ALA  14           HA       ALA  14   0.845  -7.226 -13.747
  261    HB1  ALA  14           HB1      ALA  14   1.916  -5.102 -13.249
  262    HB2  ALA  14           HB2      ALA  14   0.447  -4.487 -12.488
  263    HB3  ALA  14           HB3      ALA  14   1.307  -5.887 -11.755
  264    H    LEU  15           H        LEU  15  -1.965  -5.178 -12.800
  265    HA   LEU  15           HA       LEU  15  -3.086  -6.649 -10.798
  266    HB2  LEU  15           HB2      LEU  15  -3.689  -4.426 -12.217
  267    HB3  LEU  15           HB3      LEU  15  -4.807  -5.530 -13.030
  268    HG   LEU  15           HG       LEU  15  -4.704  -4.793 -10.119
  269   HD11  LEU  15          HD11      LEU  15  -6.663  -4.233 -12.387
  270   HD12  LEU  15          HD12      LEU  15  -5.630  -3.057 -11.568
  271   HD13  LEU  15          HD13      LEU  15  -6.957  -3.817 -10.679
  272   HD21  LEU  15          HD21      LEU  15  -6.803  -6.131  -9.977
  273   HD22  LEU  15          HD22      LEU  15  -5.294  -6.992 -10.133
  274   HD23  LEU  15          HD23      LEU  15  -6.356  -6.845 -11.553
  275    H    TYR  16           H        TYR  16  -3.696  -7.103 -14.248
  276    HA   TYR  16           HA       TYR  16  -5.597  -9.249 -14.139
  277    HB2  TYR  16           HB2      TYR  16  -5.080  -7.517 -15.931
  278    HB3  TYR  16           HB3      TYR  16  -3.641  -8.430 -16.353
  279    HD1  TYR  16           HD1      TYR  16  -6.656  -7.540 -17.501
  280    HD2  TYR  16           HD2      TYR  16  -4.363 -11.135 -16.854
  281    HE1  TYR  16           HE1      TYR  16  -8.027  -8.734 -19.213
  282    HE2  TYR  16           HE2      TYR  16  -5.709 -12.314 -18.554
  283    HH   TYR  16           HH       TYR  16  -8.401 -10.699 -20.307
  284    H    LEU  17           H        LEU  17  -2.117  -9.234 -13.927
  285    HA   LEU  17           HA       LEU  17  -1.789 -12.100 -14.545
  286    HB2  LEU  17           HB2      LEU  17  -0.188 -10.324 -15.291
  287    HB3  LEU  17           HB3      LEU  17   0.103  -9.866 -13.640
  288    HG   LEU  17           HG       LEU  17   1.093 -11.933 -13.035
  289   HD11  LEU  17          HD11      LEU  17   0.669 -12.798 -15.931
  290   HD12  LEU  17          HD12      LEU  17  -0.030 -13.560 -14.489
  291   HD13  LEU  17          HD13      LEU  17   1.713 -13.641 -14.767
  292   HD21  LEU  17          HD21      LEU  17   3.158 -11.735 -14.388
  293   HD22  LEU  17          HD22      LEU  17   2.495 -10.137 -14.016
  294   HD23  LEU  17          HD23      LEU  17   2.268 -10.832 -15.635
  295    H    VAL  18           H        VAL  18  -1.539  -9.789 -11.909
  296    HA   VAL  18           HA       VAL  18  -0.796 -11.527  -9.772
  297    HB   VAL  18           HB       VAL  18  -1.973  -8.693  -9.953
  298   HG11  VAL  18          HG11      VAL  18  -2.614  -9.472  -7.801
  299   HG12  VAL  18          HG12      VAL  18  -1.083 -10.368  -7.573
  300   HG13  VAL  18          HG13      VAL  18  -1.094  -8.606  -7.544
  301   HG21  VAL  18          HG21      VAL  18   0.347  -8.057  -9.536
  302   HG22  VAL  18          HG22      VAL  18   0.783  -9.728  -9.139
  303   HG23  VAL  18          HG23      VAL  18   0.429  -9.278 -10.793
  304    H    CYS  19           H        CYS  19  -3.873 -10.435 -11.003
  305    HA   CYS  19           HA       CYS  19  -5.401 -12.017  -9.000
  306    HB2  CYS  19           HB2      CYS  19  -6.289 -10.166 -11.215
  307    HB3  CYS  19           HB3      CYS  19  -7.365 -10.964 -10.058
  308    H    GLY  20           H        GLY  20  -4.117 -12.421 -12.157
  309    HA2  GLY  20           HA2      GLY  20  -4.274 -14.121 -13.697
  310    HA3  GLY  20           HA3      GLY  20  -4.473 -15.142 -12.272
  311    H    GLU  21           H        GLU  21  -6.577 -12.832 -14.007
  312    HA   GLU  21           HA       GLU  21  -8.767 -12.780 -14.513
  313    HB2  GLU  21           HB2      GLU  21  -8.003 -15.532 -15.476
  314    HB3  GLU  21           HB3      GLU  21  -9.550 -14.764 -15.865
  315    HG2  GLU  21           HG2      GLU  21  -8.378 -12.874 -16.915
  316    HG3  GLU  21           HG3      GLU  21  -6.818 -13.613 -16.534
  317    H    ARG  22           H        ARG  22  -8.175 -14.108 -11.671
  318    HA   ARG  22           HA       ARG  22 -10.758 -15.341 -11.054
  319    HB2  ARG  22           HB2      ARG  22  -8.848 -13.883  -9.194
  320    HB3  ARG  22           HB3      ARG  22 -10.151 -14.985  -8.734
  321    HG2  ARG  22           HG2      ARG  22  -8.961 -16.864  -9.863
  322    HG3  ARG  22           HG3      ARG  22  -7.610 -15.795 -10.209
  323    HD2  ARG  22           HD2      ARG  22  -8.628 -16.696  -7.501
  324    HD3  ARG  22           HD3      ARG  22  -7.064 -17.049  -8.225
  325    HE   ARG  22           HE       ARG  22  -7.946 -14.566  -6.847
  326   HH11  ARG  22          HH11      ARG  22  -6.676 -13.117  -6.262
  327   HH12  ARG  22          HH12      ARG  22  -4.981 -13.041  -6.779
  328   HH21  ARG  22          HH21      ARG  22  -5.291 -15.849  -8.771
  329   HH22  ARG  22          HH22      ARG  22  -4.227 -14.578  -8.206
  330    H    GLY  23           H        GLY  23  -9.686 -12.086 -11.450
  331    HA2  GLY  23           HA2      GLY  23 -11.327 -10.497 -12.198
  332    HA3  GLY  23           HA3      GLY  23 -12.468 -11.069 -11.008
  333    H    PHE  24           H        PHE  24 -11.780  -8.462 -11.464
  334    HA   PHE  24           HA       PHE  24 -10.887  -7.273  -8.976
  335    HB2  PHE  24           HB2      PHE  24  -8.950  -6.152 -10.009
  336    HB3  PHE  24           HB3      PHE  24  -8.713  -7.884  -9.956
  337    HD1  PHE  24           HD1      PHE  24  -8.881  -9.288 -12.019
  338    HD2  PHE  24           HD2      PHE  24  -8.859  -4.981 -12.138
  339    HE1  PHE  24           HE1      PHE  24  -8.304  -9.369 -14.417
  340    HE2  PHE  24           HE2      PHE  24  -8.086  -5.059 -14.513
  341    HZ   PHE  24           HZ       PHE  24  -7.890  -7.251 -15.667
  342    H    PHE  25           H        PHE  25 -10.721  -4.777  -9.321
  343    HA   PHE  25           HA       PHE  25 -11.781  -3.757 -11.825
  344    HB2  PHE  25           HB2      PHE  25 -13.816  -4.061 -10.445
  345    HB3  PHE  25           HB3      PHE  25 -13.097  -3.086  -9.169
  346    HD1  PHE  25           HD1      PHE  25 -13.172  -2.521 -12.910
  347    HD2  PHE  25           HD2      PHE  25 -14.479  -1.198  -9.021
  348    HE1  PHE  25           HE1      PHE  25 -14.124  -0.468 -13.930
  349    HE2  PHE  25           HE2      PHE  25 -15.472   0.838 -10.053
  350    HZ   PHE  25           HZ       PHE  25 -15.282   1.215 -12.505
  351    H    TYR  26           H        TYR  26 -10.677  -2.003 -12.418
  352    HA   TYR  26           HA       TYR  26  -8.399  -1.259 -10.766
  353    HB2  TYR  26           HB2      TYR  26  -7.615  -0.221 -12.954
  354    HB3  TYR  26           HB3      TYR  26  -7.786  -1.955 -12.837
  355    HD1  TYR  26           HD1      TYR  26  -9.184   1.090 -14.392
  356    HD2  TYR  26           HD2      TYR  26  -9.460  -3.198 -14.090
  357    HE1  TYR  26           HE1      TYR  26 -10.686   1.051 -16.384
  358    HE2  TYR  26           HE2      TYR  26 -10.972  -3.242 -16.063
  359    HH   TYR  26           HH       TYR  26 -11.924  -0.253 -17.809
  360    H    THR  27           H        THR  27 -10.173  -0.116  -9.332
  361    HA   THR  27           HA       THR  27 -11.099   2.468 -10.074
  362    HB   THR  27           HB       THR  27 -11.378   2.826  -7.596
  363    HG1  THR  27           HG1      THR  27  -9.635   1.402  -6.994
  364   HG21  THR  27          HG21      THR  27 -13.141   1.776  -8.992
  365   HG22  THR  27          HG22      THR  27 -13.123   1.158  -7.330
  366   HG23  THR  27          HG23      THR  27 -12.431   0.179  -8.639
  367    HA   PRO  28           HA       PRO  28  -7.293   4.818  -9.146
  368    HB2  PRO  28           HB2      PRO  28  -8.027   7.248 -10.099
  369    HB3  PRO  28           HB3      PRO  28  -7.621   5.887 -11.184
  370    HG2  PRO  28           HG2      PRO  28 -10.386   6.814 -10.315
  371    HG3  PRO  28           HG3      PRO  28  -9.812   6.438 -11.971
  372    HD2  PRO  28           HD2      PRO  28 -11.180   4.635 -10.409
  373    HD3  PRO  28           HD3      PRO  28  -9.930   4.135 -11.595
  374    H    LYS  29           H        LYS  29 -10.604   5.598  -8.219
  375    HA   LYS  29           HA       LYS  29  -9.788   6.291  -5.483
  376    HB2  LYS  29           HB2      LYS  29  -9.880   8.437  -6.877
  377    HB3  LYS  29           HB3      LYS  29 -11.612   8.156  -7.079
  378    HG2  LYS  29           HG2      LYS  29 -11.852   8.223  -4.566
  379    HG3  LYS  29           HG3      LYS  29 -10.127   8.568  -4.433
  380    HD2  LYS  29           HD2      LYS  29 -12.211  10.298  -5.849
  381    HD3  LYS  29           HD3      LYS  29 -11.565  10.582  -4.226
  382    HE2  LYS  29           HE2      LYS  29  -9.286  10.822  -5.195
  383    HE3  LYS  29           HE3      LYS  29  -9.951  10.572  -6.814
  384    HZ1  LYS  29           HZ1      LYS  29 -11.286  12.587  -6.507
  385    HZ2  LYS  29           HZ2      LYS  29  -9.704  12.937  -6.325
  386    HZ3  LYS  29           HZ3      LYS  29 -10.668  12.816  -5.007
  387    H    THR  30           H        THR  30 -11.507   6.002  -3.974
  388    HA   THR  30           HA       THR  30 -13.596   4.098  -4.796
  389    HB   THR  30           HB       THR  30 -13.992   3.963  -2.307
  390    HG1  THR  30           HG1      THR  30 -12.456   4.984  -1.003
  391   HG21  THR  30          HG21      THR  30 -11.085   3.561  -3.138
  392   HG22  THR  30          HG22      THR  30 -12.408   2.418  -3.448
  393   HG23  THR  30          HG23      THR  30 -11.925   2.785  -1.782
  394    H    ARG  31           H        ARG  31 -13.553   7.424  -4.757
  395    HA   ARG  31           HA       ARG  31 -16.473   7.678  -4.136
  396    HB2  ARG  31           HB2      ARG  31 -14.233   9.623  -3.455
  397    HB3  ARG  31           HB3      ARG  31 -15.962   9.965  -3.325
  398    HG2  ARG  31           HG2      ARG  31 -16.204   8.119  -1.676
  399    HG3  ARG  31           HG3      ARG  31 -14.476   7.773  -1.795
  400    HD2  ARG  31           HD2      ARG  31 -14.843   9.076   0.193
  401    HD3  ARG  31           HD3      ARG  31 -13.949  10.040  -0.969
  402    HE   ARG  31           HE       ARG  31 -15.725  11.520  -1.169
  403   HH11  ARG  31          HH11      ARG  31 -17.614  12.494  -0.551
  404   HH12  ARG  31          HH12      ARG  31 -18.728  11.656   0.490
  405   HH21  ARG  31          HH21      ARG  31 -16.873   8.785   0.703
  406   HH22  ARG  31          HH22      ARG  31 -18.335   9.615   1.172
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -5.479   5.197  -2.746
    2    H2   GLY   1           H2       GLY   1  -6.659   6.115  -3.421
    3    H3   GLY   1           H3       GLY   1  -5.079   6.464  -3.700
    4    HA2  GLY   1           HA2      GLY   1  -6.465   4.017  -4.593
    5    HA3  GLY   1           HA3      GLY   1  -6.068   5.399  -5.637
    6    H    ILE   2           H        ILE   2  -5.178   2.521  -5.740
    7    HA   ILE   2           HA       ILE   2  -2.402   2.410  -4.833
    8    HB   ILE   2           HB       ILE   2  -3.682   0.403  -4.777
    9   HG12  ILE   2          HG12      ILE   2  -1.808   0.097  -7.159
   10   HG13  ILE   2          HG13      ILE   2  -1.240   0.265  -5.491
   11   HG21  ILE   2          HG21      ILE   2  -4.160   0.823  -7.753
   12   HG22  ILE   2          HG22      ILE   2  -4.626  -0.621  -6.794
   13   HG23  ILE   2          HG23      ILE   2  -5.389   0.916  -6.475
   14   HD11  ILE   2          HD11      ILE   2  -2.900  -2.053  -6.607
   15   HD12  ILE   2          HD12      ILE   2  -1.193  -2.044  -6.092
   16   HD13  ILE   2          HD13      ILE   2  -2.482  -1.831  -4.897
   17    H    VAL   3           H        VAL   3  -3.968   2.873  -8.019
   18    HA   VAL   3           HA       VAL   3  -2.023   3.315  -9.811
   19    HB   VAL   3           HB       VAL   3  -4.138   5.409  -9.179
   20   HG11  VAL   3          HG11      VAL   3  -2.956   4.507 -11.844
   21   HG12  VAL   3          HG12      VAL   3  -4.226   5.727 -11.614
   22   HG13  VAL   3          HG13      VAL   3  -2.602   6.042 -11.016
   23   HG21  VAL   3          HG21      VAL   3  -5.681   4.160 -10.676
   24   HG22  VAL   3          HG22      VAL   3  -4.550   2.803 -10.687
   25   HG23  VAL   3          HG23      VAL   3  -5.344   3.305  -9.178
   26    H    GLU   4           H        GLU   4  -2.606   5.540  -7.060
   27    HA   GLU   4           HA       GLU   4  -0.788   7.487  -8.097
   28    HB2  GLU   4           HB2      GLU   4  -2.530   7.936  -6.366
   29    HB3  GLU   4           HB3      GLU   4  -1.582   7.024  -5.186
   30    HG2  GLU   4           HG2      GLU   4   0.273   8.636  -5.392
   31    HG3  GLU   4           HG3      GLU   4  -0.594   9.502  -6.657
   32    H    GLN   5           H        GLN   5  -0.341   4.680  -5.985
   33    HA   GLN   5           HA       GLN   5   2.490   5.088  -5.461
   34    HB2  GLN   5           HB2      GLN   5   0.468   3.607  -4.311
   35    HB3  GLN   5           HB3      GLN   5   1.266   2.363  -5.231
   36    HG2  GLN   5           HG2      GLN   5   2.542   4.178  -3.143
   37    HG3  GLN   5           HG3      GLN   5   2.120   2.478  -2.943
   38   HE21  GLN   5          HE21      GLN   5   3.206   0.959  -4.719
   39   HE22  GLN   5          HE22      GLN   5   4.885   1.327  -5.064
   40    H    CYS   6           H        CYS   6   0.584   2.975  -7.635
   41    HA   CYS   6           HA       CYS   6   2.821   1.571  -8.728
   42    HB2  CYS   6           HB2      CYS   6  -0.094   1.870  -9.510
   43    HB3  CYS   6           HB3      CYS   6   1.071   1.035 -10.547
   44    H    CYS   7           H        CYS   7   1.009   4.428  -9.945
   45    HA   CYS   7           HA       CYS   7   2.430   4.238 -12.461
   46    HB2  CYS   7           HB2      CYS   7   0.082   4.815 -12.411
   47    HB3  CYS   7           HB3      CYS   7   0.345   6.193 -11.397
   48    H    THR   8           H        THR   8   2.651   6.331  -9.544
   49    HA   THR   8           HA       THR   8   4.755   8.002 -10.807
   50    HB   THR   8           HB       THR   8   4.713   9.420  -8.974
   51    HG1  THR   8           HG1      THR   8   2.925   7.760  -7.559
   52   HG21  THR   8          HG21      THR   8   1.834   8.567  -9.395
   53   HG22  THR   8          HG22      THR   8   2.775   9.620 -10.472
   54   HG23  THR   8          HG23      THR   8   2.415  10.148  -8.816
   55    H    SER   9           H        SER   9   4.545   5.376  -8.459
   56    HA   SER   9           HA       SER   9   7.512   5.306  -8.446
   57    HB2  SER   9           HB2      SER   9   6.780   6.016  -6.263
   58    HB3  SER   9           HB3      SER   9   5.712   4.610  -6.124
   59    HG   SER   9           HG       SER   9   7.773   4.403  -5.061
   60    H    ILE  10           H        ILE  10   6.854   2.634  -6.923
   61    HA   ILE  10           HA       ILE  10   6.348   0.987  -9.351
   62    HB   ILE  10           HB       ILE  10   8.340  -0.384  -8.707
   63   HG12  ILE  10          HG12      ILE  10   8.847   1.929  -6.768
   64   HG13  ILE  10          HG13      ILE  10   8.600   0.236  -6.374
   65   HG21  ILE  10          HG21      ILE  10   9.905   1.011  -9.843
   66   HG22  ILE  10          HG22      ILE  10   8.306   1.381 -10.500
   67   HG23  ILE  10          HG23      ILE  10   9.063   2.491  -9.340
   68   HD11  ILE  10          HD11      ILE  10  10.918   0.795  -6.135
   69   HD12  ILE  10          HD12      ILE  10  10.776  -0.264  -7.562
   70   HD13  ILE  10          HD13      ILE  10  10.983   1.511  -7.746
   71    H    CYS  11           H        CYS  11   5.440  -0.974  -9.110
   72    HA   CYS  11           HA       CYS  11   4.796  -2.017  -6.394
   73    HB2  CYS  11           HB2      CYS  11   2.431  -1.957  -6.855
   74    HB3  CYS  11           HB3      CYS  11   3.120  -0.339  -6.967
   75    H    SER  12           H        SER  12   3.481  -4.094  -6.540
   76    HA   SER  12           HA       SER  12   4.018  -5.900  -8.812
   77    HB2  SER  12           HB2      SER  12   5.418  -7.395  -7.493
   78    HB3  SER  12           HB3      SER  12   6.189  -5.811  -7.590
   79    HG   SER  12           HG       SER  12   5.550  -5.384  -5.490
   80    H    LEU  13           H        LEU  13   3.597  -8.371  -7.595
   81    HA   LEU  13           HA       LEU  13   0.828  -8.423  -7.050
   82    HB2  LEU  13           HB2      LEU  13   2.907 -10.475  -6.166
   83    HB3  LEU  13           HB3      LEU  13   1.185 -10.727  -6.349
   84    HG   LEU  13           HG       LEU  13   1.358 -10.639  -8.763
   85   HD11  LEU  13          HD11      LEU  13   3.608 -10.887  -9.858
   86   HD12  LEU  13          HD12      LEU  13   4.335 -10.279  -8.362
   87   HD13  LEU  13          HD13      LEU  13   3.227  -9.258  -9.327
   88   HD21  LEU  13          HD21      LEU  13   3.324 -12.561  -7.500
   89   HD22  LEU  13          HD22      LEU  13   2.482 -12.774  -9.048
   90   HD23  LEU  13          HD23      LEU  13   1.562 -12.756  -7.541
   91    H    TYR  14           H        TYR  14   3.487  -7.848  -4.925
   92    HA   TYR  14           HA       TYR  14   2.273  -8.313  -2.391
   93    HB2  TYR  14           HB2      TYR  14   4.739  -7.453  -3.399
   94    HB3  TYR  14           HB3      TYR  14   4.139  -6.020  -2.608
   95    HD1  TYR  14           HD1      TYR  14   5.357  -9.439  -2.276
   96    HD2  TYR  14           HD2      TYR  14   3.697  -6.110  -0.101
   97    HE1  TYR  14           HE1      TYR  14   6.102 -10.476  -0.129
   98    HE2  TYR  14           HE2      TYR  14   4.445  -7.137   2.048
   99    HH   TYR  14           HH       TYR  14   6.182 -10.282   2.156
  100    H    GLN  15           H        GLN  15   1.743  -5.774  -4.749
  101    HA   GLN  15           HA       GLN  15   0.066  -4.203  -2.813
  102    HB2  GLN  15           HB2      GLN  15   1.267  -3.254  -5.426
  103    HB3  GLN  15           HB3      GLN  15   0.365  -2.327  -4.221
  104    HG2  GLN  15           HG2      GLN  15   2.262  -3.221  -2.584
  105    HG3  GLN  15           HG3      GLN  15   3.184  -3.417  -4.073
  106   HE21  GLN  15          HE21      GLN  15   3.923  -1.639  -1.956
  107   HE22  GLN  15          HE22      GLN  15   3.769  -0.011  -2.590
  108    H    LEU  16           H        LEU  16   0.190  -5.356  -6.212
  109    HA   LEU  16           HA       LEU  16  -2.354  -4.419  -7.048
  110    HB2  LEU  16           HB2      LEU  16  -0.434  -6.533  -7.990
  111    HB3  LEU  16           HB3      LEU  16  -2.007  -6.279  -8.777
  112    HG   LEU  16           HG       LEU  16  -0.035  -5.303  -9.880
  113   HD11  LEU  16          HD11      LEU  16  -1.910  -3.082  -9.217
  114   HD12  LEU  16          HD12      LEU  16  -2.579  -4.538  -9.965
  115   HD13  LEU  16          HD13      LEU  16  -1.313  -3.652 -10.794
  116   HD21  LEU  16          HD21      LEU  16   0.602  -3.055  -9.255
  117   HD22  LEU  16          HD22      LEU  16   1.211  -4.255  -8.125
  118   HD23  LEU  16          HD23      LEU  16  -0.191  -3.250  -7.674
  119    H    GLU  17           H        GLU  17  -1.669  -7.493  -5.273
  120    HA   GLU  17           HA       GLU  17  -4.209  -8.575  -6.134
  121    HB2  GLU  17           HB2      GLU  17  -2.069  -9.846  -5.227
  122    HB3  GLU  17           HB3      GLU  17  -2.943  -9.717  -3.686
  123    HG2  GLU  17           HG2      GLU  17  -4.994 -10.638  -4.951
  124    HG3  GLU  17           HG3      GLU  17  -3.942 -10.894  -6.335
  125    H    ASN  18           H        ASN  18  -3.598  -6.077  -4.117
  126    HA   ASN  18           HA       ASN  18  -5.909  -6.365  -2.313
  127    HB2  ASN  18           HB2      ASN  18  -4.185  -3.966  -3.106
  128    HB3  ASN  18           HB3      ASN  18  -5.546  -3.860  -2.028
  129   HD21  ASN  18          HD21      ASN  18  -2.238  -4.837  -2.305
  130   HD22  ASN  18          HD22      ASN  18  -2.022  -5.307  -0.613
  131    H    TYR  19           H        TYR  19  -5.506  -5.599  -5.734
  132    HA   TYR  19           HA       TYR  19  -8.028  -4.035  -5.859
  133    HB2  TYR  19           HB2      TYR  19  -6.099  -5.264  -7.833
  134    HB3  TYR  19           HB3      TYR  19  -7.654  -4.632  -8.331
  135    HD1  TYR  19           HD1      TYR  19  -8.172  -2.148  -7.508
  136    HD2  TYR  19           HD2      TYR  19  -4.320  -3.931  -8.133
  137    HE1  TYR  19           HE1      TYR  19  -7.376  -0.053  -8.622
  138    HE2  TYR  19           HE2      TYR  19  -3.661  -2.059  -9.570
  139    HH   TYR  19           HH       TYR  19  -5.904   0.731 -10.180
  140    H    CYS  20           H        CYS  20  -6.907  -7.375  -6.394
  141    HA   CYS  20           HA       CYS  20  -9.050  -8.158  -7.970
  142    HB2  CYS  20           HB2      CYS  20  -7.509 -10.036  -6.182
  143    HB3  CYS  20           HB3      CYS  20  -8.287 -10.380  -7.747
  144    H    ASN  21           H        ASN  21 -10.929  -9.362  -7.606
  145    HA   ASN  21           HA       ASN  21 -11.988  -9.376  -4.885
  146    HB2  ASN  21           HB2      ASN  21 -14.023 -10.000  -5.770
  147    HB3  ASN  21           HB3      ASN  21 -13.330  -9.152  -7.146
  148   HD21  ASN  21          HD21      ASN  21 -11.818 -10.928  -8.508
  149   HD22  ASN  21          HD22      ASN  21 -12.780 -12.335  -8.935
  150    H    SER  22           H        SER  22 -12.535 -11.310  -3.660
  151    HA   SER  22           HA       SER  22 -10.993 -13.796  -4.244
  152    HB2  SER  22           HB2      SER  22 -10.688 -12.118  -1.730
  153    HB3  SER  22           HB3      SER  22 -10.043 -13.756  -1.969
  154    HG   SER  22           HG       SER  22  -8.526 -12.015  -2.434
  155    H1   PHE   1           H1       PHE   1  10.550 -12.278  -7.759
  156    H2   PHE   1           H2       PHE   1   9.232 -13.246  -7.871
  157    H3   PHE   1           H3       PHE   1   9.265 -12.015  -6.784
  158    HA   PHE   1           HA       PHE   1   9.301 -11.716  -9.707
  159    HB2  PHE   1           HB2      PHE   1   7.022 -10.719  -9.442
  160    HB3  PHE   1           HB3      PHE   1   7.136 -12.430  -9.136
  161    HD1  PHE   1           HD1      PHE   1   7.095  -9.126  -7.295
  162    HD2  PHE   1           HD2      PHE   1   6.142 -13.337  -7.223
  163    HE1  PHE   1           HE1      PHE   1   5.819  -8.807  -5.197
  164    HE2  PHE   1           HE2      PHE   1   4.857 -13.010  -5.135
  165    HZ   PHE   1           HZ       PHE   1   4.621 -10.733  -4.168
  166    H    VAL   2           H        VAL   2   8.455  -9.319 -10.171
  167    HA   VAL   2           HA       VAL   2  10.356  -7.479  -8.777
  168    HB   VAL   2           HB       VAL   2  10.706  -6.540 -11.168
  169   HG11  VAL   2          HG11      VAL   2  12.579  -8.070 -11.547
  170   HG12  VAL   2          HG12      VAL   2  12.445  -7.628  -9.839
  171   HG13  VAL   2          HG13      VAL   2  11.891  -9.226 -10.383
  172   HG21  VAL   2          HG21      VAL   2  10.527  -8.050 -13.021
  173   HG22  VAL   2          HG22      VAL   2  10.020  -9.400 -11.989
  174   HG23  VAL   2          HG23      VAL   2   8.933  -8.027 -12.255
  175    H    LYS   3           H        LYS   3  10.035  -5.273  -8.930
  176    HA   LYS   3           HA       LYS   3   7.221  -4.401  -9.158
  177    HB2  LYS   3           HB2      LYS   3   9.608  -2.860  -8.074
  178    HB3  LYS   3           HB3      LYS   3   7.897  -2.450  -7.902
  179    HG2  LYS   3           HG2      LYS   3   7.524  -4.424  -6.489
  180    HG3  LYS   3           HG3      LYS   3   9.224  -4.908  -6.679
  181    HD2  LYS   3           HD2      LYS   3   9.894  -2.690  -5.662
  182    HD3  LYS   3           HD3      LYS   3   8.173  -2.409  -5.290
  183    HE2  LYS   3           HE2      LYS   3   8.128  -4.555  -4.013
  184    HE3  LYS   3           HE3      LYS   3   9.822  -4.839  -4.435
  185    HZ1  LYS   3           HZ1      LYS   3  10.408  -2.835  -3.170
  186    HZ2  LYS   3           HZ2      LYS   3   9.599  -3.868  -2.204
  187    HZ3  LYS   3           HZ3      LYS   3   8.847  -2.545  -2.792
  188    H    GLN   4           H        GLN   4   6.496  -2.806 -10.513
  189    HA   GLN   4           HA       GLN   4   8.421  -1.450 -12.361
  190    HB2  GLN   4           HB2      GLN   4   5.775  -2.694 -13.211
  191    HB3  GLN   4           HB3      GLN   4   6.818  -1.701 -14.211
  192    HG2  GLN   4           HG2      GLN   4   7.109  -3.922 -14.933
  193    HG3  GLN   4           HG3      GLN   4   8.596  -3.421 -14.109
  194   HE21  GLN   4          HE21      GLN   4   6.224  -6.020 -11.959
  195   HE22  GLN   4          HE22      GLN   4   5.429  -4.691 -12.832
  196    H    HIS   5           H        HIS   5   7.630   0.467 -13.332
  197    HA   HIS   5           HA       HIS   5   5.551   1.957 -11.859
  198    HB2  HIS   5           HB2      HIS   5   6.327   3.765 -13.537
  199    HB3  HIS   5           HB3      HIS   5   7.364   3.341 -12.184
  200    HD1  HIS   5           HD1      HIS   5   9.828   2.928 -12.800
  201    HD2  HIS   5           HD2      HIS   5   7.140   2.299 -15.980
  202    HE1  HIS   5           HE1      HIS   5  11.249   2.346 -14.835
  203    H    LEU   6           H        LEU   6   3.506   2.046 -12.551
  204    HA   LEU   6           HA       LEU   6   2.842   1.473 -15.400
  205    HB2  LEU   6           HB2      LEU   6   1.586  -0.083 -13.116
  206    HB3  LEU   6           HB3      LEU   6   1.426  -0.349 -14.823
  207    HG   LEU   6           HG       LEU   6   4.050  -0.789 -13.435
  208   HD11  LEU   6          HD11      LEU   6   3.435  -3.142 -13.307
  209   HD12  LEU   6          HD12      LEU   6   1.800  -2.740 -13.856
  210   HD13  LEU   6          HD13      LEU   6   2.403  -2.115 -12.305
  211   HD21  LEU   6          HD21      LEU   6   4.043  -0.742 -16.007
  212   HD22  LEU   6          HD22      LEU   6   2.965  -2.160 -15.918
  213   HD23  LEU   6          HD23      LEU   6   4.597  -2.241 -15.271
  214    H    CYS   7           H        CYS   7   1.140   2.523 -16.092
  215    HA   CYS   7           HA       CYS   7  -0.861   3.721 -14.210
  216    HB2  CYS   7           HB2      CYS   7   0.873   5.083 -16.026
  217    HB3  CYS   7           HB3      CYS   7  -0.720   5.098 -16.754
  218    H    GLY   8           H        GLY   8  -2.992   3.230 -14.706
  219    HA2  GLY   8           HA2      GLY   8  -4.855   2.404 -15.813
  220    HA3  GLY   8           HA3      GLY   8  -4.124   3.117 -17.248
  221    H    SER   9           H        SER   9  -3.783   1.726 -18.894
  222    HA   SER   9           HA       SER   9  -4.323  -1.023 -18.909
  223    HB2  SER   9           HB2      SER   9  -2.387   0.523 -20.692
  224    HB3  SER   9           HB3      SER   9  -3.191  -1.008 -21.096
  225    HG   SER   9           HG       SER   9  -4.292   0.805 -22.000
  226    H    HIS  10           H        HIS  10  -1.112   0.532 -18.368
  227    HA   HIS  10           HA       HIS  10   0.381  -1.987 -18.392
  228    HB2  HIS  10           HB2      HIS  10   0.959   0.700 -17.071
  229    HB3  HIS  10           HB3      HIS  10   2.111  -0.603 -17.190
  230    HD1  HIS  10           HD1      HIS  10   2.847  -1.164 -19.932
  231    HD2  HIS  10           HD2      HIS  10   0.741   2.340 -18.979
  232    HE1  HIS  10           HE1      HIS  10   3.097   0.377 -21.950
  233    H    LEU  11           H        LEU  11  -1.309  -0.066 -15.960
  234    HA   LEU  11           HA       LEU  11  -0.220  -1.434 -13.664
  235    HB2  LEU  11           HB2      LEU  11  -1.376   0.958 -14.041
  236    HB3  LEU  11           HB3      LEU  11  -2.851   0.063 -13.703
  237    HG   LEU  11           HG       LEU  11  -0.450   0.568 -11.909
  238   HD11  LEU  11          HD11      LEU  11  -3.410   1.232 -11.864
  239   HD12  LEU  11          HD12      LEU  11  -2.032   2.363 -11.947
  240   HD13  LEU  11          HD13      LEU  11  -2.363   1.422 -10.462
  241   HD21  LEU  11          HD21      LEU  11  -0.962  -1.660 -11.418
  242   HD22  LEU  11          HD22      LEU  11  -2.726  -1.372 -11.492
  243   HD23  LEU  11          HD23      LEU  11  -1.752  -0.709 -10.158
  244    H    VAL  12           H        VAL  12  -3.224  -1.619 -15.545
  245    HA   VAL  12           HA       VAL  12  -4.383  -3.945 -14.310
  246    HB   VAL  12           HB       VAL  12  -4.636  -2.812 -17.123
  247   HG11  VAL  12          HG11      VAL  12  -5.176  -5.154 -17.367
  248   HG12  VAL  12          HG12      VAL  12  -6.123  -5.147 -15.868
  249   HG13  VAL  12          HG13      VAL  12  -6.691  -4.254 -17.301
  250   HG21  VAL  12          HG21      VAL  12  -6.540  -2.868 -14.742
  251   HG22  VAL  12          HG22      VAL  12  -5.584  -1.461 -15.246
  252   HG23  VAL  12          HG23      VAL  12  -6.844  -2.094 -16.313
  253    H    GLU  13           H        GLU  13  -1.716  -3.616 -16.751
  254    HA   GLU  13           HA       GLU  13  -1.777  -6.405 -17.470
  255    HB2  GLU  13           HB2      GLU  13  -0.662  -4.496 -18.736
  256    HB3  GLU  13           HB3      GLU  13   0.667  -4.624 -17.583
  257    HG2  GLU  13           HG2      GLU  13   1.092  -6.932 -18.262
  258    HG3  GLU  13           HG3      GLU  13  -0.344  -6.933 -19.285
  259    H    ALA  14           H        ALA  14  -0.549  -4.713 -14.621
  260    HA   ALA  14           HA       ALA  14   0.815  -7.178 -13.651
  261    HB1  ALA  14           HB1      ALA  14   1.859  -5.040 -13.121
  262    HB2  ALA  14           HB2      ALA  14   0.361  -4.437 -12.413
  263    HB3  ALA  14           HB3      ALA  14   1.212  -5.815 -11.644
  264    H    LEU  15           H        LEU  15  -2.008  -5.115 -12.760
  265    HA   LEU  15           HA       LEU  15  -3.161  -6.540 -10.767
  266    HB2  LEU  15           HB2      LEU  15  -3.751  -4.371 -12.232
  267    HB3  LEU  15           HB3      LEU  15  -4.882  -5.488 -13.011
  268    HG   LEU  15           HG       LEU  15  -4.720  -4.699 -10.122
  269   HD11  LEU  15          HD11      LEU  15  -5.633  -2.962 -11.536
  270   HD12  LEU  15          HD12      LEU  15  -6.971  -3.699 -10.647
  271   HD13  LEU  15          HD13      LEU  15  -6.695  -4.116 -12.355
  272   HD21  LEU  15          HD21      LEU  15  -6.865  -5.989  -9.936
  273   HD22  LEU  15          HD22      LEU  15  -5.383  -6.904 -10.038
  274   HD23  LEU  15          HD23      LEU  15  -6.416  -6.744 -11.485
  275    H    TYR  16           H        TYR  16  -3.756  -7.086 -14.194
  276    HA   TYR  16           HA       TYR  16  -5.618  -9.269 -14.076
  277    HB2  TYR  16           HB2      TYR  16  -5.052  -7.549 -15.892
  278    HB3  TYR  16           HB3      TYR  16  -3.629  -8.493 -16.275
  279    HD1  TYR  16           HD1      TYR  16  -4.500 -11.254 -16.607
  280    HD2  TYR  16           HD2      TYR  16  -6.565  -7.570 -17.531
  281    HE1  TYR  16           HE1      TYR  16  -5.896 -12.455 -18.238
  282    HE2  TYR  16           HE2      TYR  16  -7.963  -8.793 -19.198
  283    HH   TYR  16           HH       TYR  16  -8.423 -10.796 -20.197
  284    H    LEU  17           H        LEU  17  -2.119  -9.217 -13.901
  285    HA   LEU  17           HA       LEU  17  -1.769 -12.096 -14.430
  286    HB2  LEU  17           HB2      LEU  17  -0.165 -10.324 -15.177
  287    HB3  LEU  17           HB3      LEU  17   0.086  -9.834 -13.539
  288    HG   LEU  17           HG       LEU  17   1.043 -11.909 -12.846
  289   HD11  LEU  17          HD11      LEU  17   0.020 -13.522 -14.420
  290   HD12  LEU  17          HD12      LEU  17   1.780 -13.588 -14.564
  291   HD13  LEU  17          HD13      LEU  17   0.827 -12.729 -15.791
  292   HD21  LEU  17          HD21      LEU  17   2.369 -10.750 -15.336
  293   HD22  LEU  17          HD22      LEU  17   3.184 -11.676 -14.056
  294   HD23  LEU  17          HD23      LEU  17   2.478 -10.095 -13.688
  295    H    VAL  18           H        VAL  18  -1.623  -9.733 -11.852
  296    HA   VAL  18           HA       VAL  18  -0.776 -11.336  -9.659
  297    HB   VAL  18           HB       VAL  18  -2.336  -8.703  -9.800
  298   HG11  VAL  18          HG11      VAL  18  -0.965 -10.182  -7.538
  299   HG12  VAL  18          HG12      VAL  18  -1.296  -8.454  -7.484
  300   HG13  VAL  18          HG13      VAL  18  -2.639  -9.574  -7.636
  301   HG21  VAL  18          HG21      VAL  18   0.279  -9.132 -10.704
  302   HG22  VAL  18          HG22      VAL  18  -0.376  -7.607 -10.102
  303   HG23  VAL  18          HG23      VAL  18   0.539  -8.653  -9.047
  304    H    CYS  19           H        CYS  19  -3.931 -10.394 -10.889
  305    HA   CYS  19           HA       CYS  19  -5.500 -11.983  -8.948
  306    HB2  CYS  19           HB2      CYS  19  -6.153 -10.813 -11.674
  307    HB3  CYS  19           HB3      CYS  19  -7.342 -11.506 -10.553
  308    H    GLY  20           H        GLY  20  -4.075 -12.390 -12.147
  309    HA2  GLY  20           HA2      GLY  20  -3.926 -14.088 -13.633
  310    HA3  GLY  20           HA3      GLY  20  -4.236 -15.254 -12.317
  311    H    GLU  21           H        GLU  21  -6.034 -12.651 -13.948
  312    HA   GLU  21           HA       GLU  21  -8.131 -12.413 -14.743
  313    HB2  GLU  21           HB2      GLU  21  -6.996 -14.285 -16.204
  314    HB3  GLU  21           HB3      GLU  21  -8.277 -15.302 -15.546
  315    HG2  GLU  21           HG2      GLU  21  -9.948 -13.572 -16.400
  316    HG3  GLU  21           HG3      GLU  21  -8.600 -12.725 -17.143
  317    H    ARG  22           H        ARG  22  -7.874 -13.765 -11.857
  318    HA   ARG  22           HA       ARG  22 -10.367 -15.023 -11.349
  319    HB2  ARG  22           HB2      ARG  22  -8.269 -15.058  -9.981
  320    HB3  ARG  22           HB3      ARG  22  -8.604 -13.391  -9.462
  321    HG2  ARG  22           HG2      ARG  22 -10.699 -14.182  -8.382
  322    HG3  ARG  22           HG3      ARG  22 -10.395 -15.812  -9.005
  323    HD2  ARG  22           HD2      ARG  22  -9.676 -15.822  -6.741
  324    HD3  ARG  22           HD3      ARG  22  -8.216 -15.831  -7.730
  325    HE   ARG  22           HE       ARG  22  -9.345 -13.320  -6.503
  326   HH11  ARG  22          HH11      ARG  22  -8.108 -12.413  -4.867
  327   HH12  ARG  22          HH12      ARG  22  -6.367 -12.699  -4.914
  328   HH21  ARG  22          HH21      ARG  22  -6.394 -15.150  -7.167
  329   HH22  ARG  22          HH22      ARG  22  -5.508 -14.146  -6.006
  330    H    GLY  23           H        GLY  23  -9.598 -11.662 -11.655
  331    HA2  GLY  23           HA2      GLY  23 -11.308 -10.177 -12.389
  332    HA3  GLY  23           HA3      GLY  23 -12.459 -10.862 -11.240
  333    H    PHE  24           H        PHE  24 -11.803  -8.184 -11.650
  334    HA   PHE  24           HA       PHE  24 -11.039  -6.910  -9.137
  335    HB2  PHE  24           HB2      PHE  24  -9.024  -5.888 -10.085
  336    HB3  PHE  24           HB3      PHE  24  -8.840  -7.616  -9.988
  337    HD1  PHE  24           HD1      PHE  24  -8.962  -4.738 -12.254
  338    HD2  PHE  24           HD2      PHE  24  -8.808  -9.045 -12.034
  339    HE1  PHE  24           HE1      PHE  24  -8.139  -4.840 -14.603
  340    HE2  PHE  24           HE2      PHE  24  -8.139  -9.147 -14.399
  341    HZ   PHE  24           HZ       PHE  24  -7.782  -7.048 -15.687
  342    H    PHE  25           H        PHE  25 -10.734  -4.518  -9.531
  343    HA   PHE  25           HA       PHE  25 -11.455  -3.403 -12.111
  344    HB2  PHE  25           HB2      PHE  25 -13.657  -3.368 -11.069
  345    HB3  PHE  25           HB3      PHE  25 -12.991  -2.666  -9.590
  346    HD1  PHE  25           HD1      PHE  25 -13.653  -0.445  -9.340
  347    HD2  PHE  25           HD2      PHE  25 -12.657  -1.862 -13.284
  348    HE1  PHE  25           HE1      PHE  25 -13.931   1.859 -10.240
  349    HE2  PHE  25           HE2      PHE  25 -12.885   0.440 -14.176
  350    HZ   PHE  25           HZ       PHE  25 -13.515   2.309 -12.657
  351    H    TYR  26           H        TYR  26 -10.336  -1.453 -12.452
  352    HA   TYR  26           HA       TYR  26  -8.013  -1.233 -10.704
  353    HB2  TYR  26           HB2      TYR  26  -7.050   0.038 -12.692
  354    HB3  TYR  26           HB3      TYR  26  -7.370  -1.675 -12.816
  355    HD1  TYR  26           HD1      TYR  26  -8.303   1.640 -14.077
  356    HD2  TYR  26           HD2      TYR  26  -9.175  -2.582 -14.182
  357    HE1  TYR  26           HE1      TYR  26  -9.732   1.977 -16.100
  358    HE2  TYR  26           HE2      TYR  26 -10.604  -2.243 -16.197
  359    HH   TYR  26           HH       TYR  26 -11.450  -0.724 -17.710
  360    H    THR  27           H        THR  27 -10.786   0.486 -10.598
  361    HA   THR  27           HA       THR  27 -11.373   2.613  -9.912
  362    HB   THR  27           HB       THR  27 -10.758   2.867  -7.568
  363    HG1  THR  27           HG1      THR  27  -8.612   2.265  -7.643
  364   HG21  THR  27          HG21      THR  27 -11.264  -0.034  -8.314
  365   HG22  THR  27          HG22      THR  27 -12.489   1.247  -8.114
  366   HG23  THR  27          HG23      THR  27 -11.523   0.716  -6.728
  367    HA   PRO  28           HA       PRO  28  -7.618   5.245 -10.783
  368    HB2  PRO  28           HB2      PRO  28  -7.963   6.132 -13.289
  369    HB3  PRO  28           HB3      PRO  28  -7.370   4.473 -12.951
  370    HG2  PRO  28           HG2      PRO  28 -10.222   5.347 -13.587
  371    HG3  PRO  28           HG3      PRO  28  -9.284   4.024 -14.347
  372    HD2  PRO  28           HD2      PRO  28 -11.054   3.629 -12.256
  373    HD3  PRO  28           HD3      PRO  28  -9.602   2.620 -12.519
  374    H    LYS  29           H        LYS  29  -7.498   7.595 -11.181
  375    HA   LYS  29           HA       LYS  29  -9.597   9.022  -9.781
  376    HB2  LYS  29           HB2      LYS  29  -7.106   9.961 -11.272
  377    HB3  LYS  29           HB3      LYS  29  -8.147  11.040 -10.374
  378    HG2  LYS  29           HG2      LYS  29  -6.589   8.702  -9.195
  379    HG3  LYS  29           HG3      LYS  29  -6.146  10.404  -9.094
  380    HD2  LYS  29           HD2      LYS  29  -8.573   9.092  -7.788
  381    HD3  LYS  29           HD3      LYS  29  -7.102   9.648  -6.995
  382    HE2  LYS  29           HE2      LYS  29  -7.603  11.993  -7.724
  383    HE3  LYS  29           HE3      LYS  29  -9.101  11.423  -8.478
  384    HZ1  LYS  29           HZ1      LYS  29  -8.470  11.240  -5.576
  385    HZ2  LYS  29           HZ2      LYS  29  -9.847  10.693  -6.263
  386    HZ3  LYS  29           HZ3      LYS  29  -9.518  12.292  -6.249
  387    H    THR  30           H        THR  30  -8.848   8.727 -13.200
  388    HA   THR  30           HA       THR  30  -9.673   9.678 -15.085
  389    HB   THR  30           HB       THR  30 -12.399   9.805 -13.777
  390    HG1  THR  30           HG1      THR  30 -12.561   7.613 -14.148
  391   HG21  THR  30          HG21      THR  30 -13.125   8.889 -15.973
  392   HG22  THR  30          HG22      THR  30 -11.442   8.903 -16.544
  393   HG23  THR  30          HG23      THR  30 -12.292  10.420 -16.193
  394    H    ARG  31           H        ARG  31  -8.452  11.530 -13.439
  395    HA   ARG  31           HA       ARG  31  -9.651  14.087 -14.377
  396    HB2  ARG  31           HB2      ARG  31  -8.563  13.540 -11.580
  397    HB3  ARG  31           HB3      ARG  31  -8.859  15.149 -12.228
  398    HG2  ARG  31           HG2      ARG  31 -11.005  13.025 -11.785
  399    HG3  ARG  31           HG3      ARG  31 -10.644  14.376 -10.710
  400    HD2  ARG  31           HD2      ARG  31 -11.210  15.972 -12.519
  401    HD3  ARG  31           HD3      ARG  31 -11.632  14.614 -13.580
  402    HE   ARG  31           HE       ARG  31 -13.110  14.357 -11.162
  403   HH11  ARG  31          HH11      ARG  31 -13.061  16.467 -13.956
  404   HH12  ARG  31          HH12      ARG  31 -14.759  16.846 -13.814
  405   HH21  ARG  31          HH21      ARG  31 -15.273  14.872 -11.050
  406   HH22  ARG  31          HH22      ARG  31 -15.965  15.963 -12.216
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -5.126   6.009  -3.250
    2    H2   GLY   1           H2       GLY   1  -5.647   4.557  -2.695
    3    H3   GLY   1           H3       GLY   1  -6.729   5.691  -3.180
    4    HA2  GLY   1           HA2      GLY   1  -6.533   3.977  -4.864
    5    HA3  GLY   1           HA3      GLY   1  -5.980   5.557  -5.457
    6    H    ILE   2           H        ILE   2  -5.201   2.444  -5.766
    7    HA   ILE   2           HA       ILE   2  -2.425   2.340  -4.873
    8    HB   ILE   2           HB       ILE   2  -3.755   0.341  -4.842
    9   HG12  ILE   2          HG12      ILE   2  -1.766   0.034  -7.129
   10   HG13  ILE   2          HG13      ILE   2  -1.284   0.187  -5.434
   11   HG21  ILE   2          HG21      ILE   2  -4.644  -0.658  -6.880
   12   HG22  ILE   2          HG22      ILE   2  -5.372   0.899  -6.630
   13   HG23  ILE   2          HG23      ILE   2  -4.088   0.757  -7.843
   14   HD11  ILE   2          HD11      ILE   2  -1.221  -2.108  -6.055
   15   HD12  ILE   2          HD12      ILE   2  -2.574  -1.907  -4.930
   16   HD13  ILE   2          HD13      ILE   2  -2.887  -2.094  -6.678
   17    H    VAL   3           H        VAL   3  -4.007   2.936  -8.006
   18    HA   VAL   3           HA       VAL   3  -2.069   3.338  -9.802
   19    HB   VAL   3           HB       VAL   3  -4.079   5.490  -9.025
   20   HG11  VAL   3          HG11      VAL   3  -2.934   4.699 -11.744
   21   HG12  VAL   3          HG12      VAL   3  -4.162   5.948 -11.459
   22   HG13  VAL   3          HG13      VAL   3  -2.530   6.175 -10.839
   23   HG21  VAL   3          HG21      VAL   3  -5.635   4.363 -10.652
   24   HG22  VAL   3          HG22      VAL   3  -4.571   2.965 -10.654
   25   HG23  VAL   3          HG23      VAL   3  -5.390   3.453  -9.160
   26    H    GLU   4           H        GLU   4  -2.404   5.406  -6.878
   27    HA   GLU   4           HA       GLU   4  -0.468   7.270  -7.894
   28    HB2  GLU   4           HB2      GLU   4  -2.068   7.817  -6.083
   29    HB3  GLU   4           HB3      GLU   4  -1.202   6.723  -4.986
   30    HG2  GLU   4           HG2      GLU   4   0.824   8.113  -5.154
   31    HG3  GLU   4           HG3      GLU   4   0.051   9.140  -6.369
   32    H    GLN   5           H        GLN   5  -0.171   4.390  -5.794
   33    HA   GLN   5           HA       GLN   5   2.648   4.445  -5.307
   34    HB2  GLN   5           HB2      GLN   5   0.802   3.147  -4.122
   35    HB3  GLN   5           HB3      GLN   5   0.706   2.079  -5.485
   36    HG2  GLN   5           HG2      GLN   5   2.008   1.122  -3.648
   37    HG3  GLN   5           HG3      GLN   5   2.882   1.205  -5.177
   38   HE21  GLN   5          HE21      GLN   5   4.879   2.053  -5.128
   39   HE22  GLN   5          HE22      GLN   5   5.540   3.029  -3.805
   40    H    CYS   6           H        CYS   6   0.623   2.750  -7.648
   41    HA   CYS   6           HA       CYS   6   2.793   1.425  -8.950
   42    HB2  CYS   6           HB2      CYS   6  -0.114   1.825  -9.677
   43    HB3  CYS   6           HB3      CYS   6   1.034   0.990 -10.737
   44    H    CYS   7           H        CYS   7   0.893   4.290 -10.067
   45    HA   CYS   7           HA       CYS   7   2.325   4.285 -12.588
   46    HB2  CYS   7           HB2      CYS   7  -0.046   4.840 -12.432
   47    HB3  CYS   7           HB3      CYS   7   0.276   6.171 -11.361
   48    H    THR   8           H        THR   8   2.414   6.337  -9.604
   49    HA   THR   8           HA       THR   8   4.447   8.113 -10.803
   50    HB   THR   8           HB       THR   8   4.267   9.542  -9.028
   51    HG1  THR   8           HG1      THR   8   2.884   7.589  -7.506
   52   HG21  THR   8          HG21      THR   8   2.197   9.467 -10.382
   53   HG22  THR   8          HG22      THR   8   1.935  10.026  -8.715
   54   HG23  THR   8          HG23      THR   8   1.475   8.371  -9.175
   55    H    SER   9           H        SER   9   4.342   5.487  -8.452
   56    HA   SER   9           HA       SER   9   7.313   5.618  -8.265
   57    HB2  SER   9           HB2      SER   9   5.482   4.529  -6.119
   58    HB3  SER   9           HB3      SER   9   7.246   4.624  -6.085
   59    HG   SER   9           HG       SER   9   5.459   6.842  -6.270
   60    H    ILE  10           H        ILE  10   6.488   2.772  -6.881
   61    HA   ILE  10           HA       ILE  10   6.241   1.226  -9.376
   62    HB   ILE  10           HB       ILE  10   8.094  -0.292  -8.605
   63   HG12  ILE  10          HG12      ILE  10   8.826   2.043  -6.767
   64   HG13  ILE  10          HG13      ILE  10   8.159   0.501  -6.239
   65   HG21  ILE  10          HG21      ILE  10   9.092   2.508  -9.249
   66   HG22  ILE  10          HG22      ILE  10   9.865   0.962  -9.634
   67   HG23  ILE  10          HG23      ILE  10   8.359   1.416 -10.436
   68   HD11  ILE  10          HD11      ILE  10  10.521   0.513  -5.846
   69   HD12  ILE  10          HD12      ILE  10  10.189  -0.640  -7.150
   70   HD13  ILE  10          HD13      ILE  10  10.874   0.965  -7.524
   71    H    CYS  11           H        CYS  11   5.518  -0.941  -9.075
   72    HA   CYS  11           HA       CYS  11   4.707  -1.876  -6.388
   73    HB2  CYS  11           HB2      CYS  11   2.364  -1.968  -6.941
   74    HB3  CYS  11           HB3      CYS  11   2.957  -0.319  -7.065
   75    H    SER  12           H        SER  12   3.435  -4.020  -6.573
   76    HA   SER  12           HA       SER  12   4.206  -5.817  -8.791
   77    HB2  SER  12           HB2      SER  12   5.584  -7.206  -7.337
   78    HB3  SER  12           HB3      SER  12   6.227  -5.558  -7.352
   79    HG   SER  12           HG       SER  12   6.114  -6.282  -5.228
   80    H    LEU  13           H        LEU  13   3.753  -8.278  -7.784
   81    HA   LEU  13           HA       LEU  13   0.979  -8.285  -6.971
   82    HB2  LEU  13           HB2      LEU  13   1.208 -10.771  -6.848
   83    HB3  LEU  13           HB3      LEU  13   1.574 -10.070  -8.406
   84    HG   LEU  13           HG       LEU  13   3.941 -10.353  -8.087
   85   HD11  LEU  13          HD11      LEU  13   4.253 -10.222  -5.681
   86   HD12  LEU  13          HD12      LEU  13   4.777 -11.813  -6.226
   87   HD13  LEU  13          HD13      LEU  13   3.199 -11.637  -5.425
   88   HD21  LEU  13          HD21      LEU  13   2.313 -12.867  -7.540
   89   HD22  LEU  13          HD22      LEU  13   3.953 -12.810  -8.232
   90   HD23  LEU  13          HD23      LEU  13   2.594 -12.126  -9.134
   91    H    TYR  14           H        TYR  14   3.590  -7.560  -5.154
   92    HA   TYR  14           HA       TYR  14   2.565  -8.630  -2.631
   93    HB2  TYR  14           HB2      TYR  14   4.996  -7.644  -3.507
   94    HB3  TYR  14           HB3      TYR  14   4.366  -6.271  -2.634
   95    HD1  TYR  14           HD1      TYR  14   5.228  -9.864  -2.509
   96    HD2  TYR  14           HD2      TYR  14   4.274  -6.379  -0.162
   97    HE1  TYR  14           HE1      TYR  14   5.949 -11.070  -0.426
   98    HE2  TYR  14           HE2      TYR  14   5.001  -7.566   1.910
   99    HH   TYR  14           HH       TYR  14   5.824  -9.498   2.800
  100    H    GLN  15           H        GLN  15   1.659  -6.116  -4.798
  101    HA   GLN  15           HA       GLN  15   0.052  -4.707  -2.703
  102    HB2  GLN  15           HB2      GLN  15   1.227  -3.392  -5.173
  103    HB3  GLN  15           HB3      GLN  15   0.484  -2.644  -3.760
  104    HG2  GLN  15           HG2      GLN  15   2.467  -3.824  -2.451
  105    HG3  GLN  15           HG3      GLN  15   3.228  -3.910  -4.033
  106   HE21  GLN  15          HE21      GLN  15   2.179  -1.738  -1.425
  107   HE22  GLN  15          HE22      GLN  15   3.013  -0.331  -2.072
  108    H    LEU  16           H        LEU  16   0.162  -5.452  -6.230
  109    HA   LEU  16           HA       LEU  16  -2.377  -4.419  -6.991
  110    HB2  LEU  16           HB2      LEU  16  -0.529  -6.542  -8.014
  111    HB3  LEU  16           HB3      LEU  16  -2.106  -6.235  -8.789
  112    HG   LEU  16           HG       LEU  16  -0.123  -5.301  -9.882
  113   HD11  LEU  16          HD11      LEU  16  -2.614  -4.457  -9.992
  114   HD12  LEU  16          HD12      LEU  16  -1.312  -3.525 -10.719
  115   HD13  LEU  16          HD13      LEU  16  -1.958  -3.054  -9.127
  116   HD21  LEU  16          HD21      LEU  16   1.177  -4.345  -8.110
  117   HD22  LEU  16          HD22      LEU  16  -0.188  -3.290  -7.632
  118   HD23  LEU  16          HD23      LEU  16   0.613  -3.112  -9.208
  119    H    GLU  17           H        GLU  17  -1.864  -7.552  -5.266
  120    HA   GLU  17           HA       GLU  17  -4.519  -8.385  -6.115
  121    HB2  GLU  17           HB2      GLU  17  -4.270 -10.124  -4.186
  122    HB3  GLU  17           HB3      GLU  17  -3.596 -10.315  -5.785
  123    HG2  GLU  17           HG2      GLU  17  -1.411  -9.818  -5.082
  124    HG3  GLU  17           HG3      GLU  17  -1.951  -9.215  -3.496
  125    H    ASN  18           H        ASN  18  -3.690  -5.982  -4.132
  126    HA   ASN  18           HA       ASN  18  -6.028  -6.118  -2.344
  127    HB2  ASN  18           HB2      ASN  18  -4.162  -3.836  -3.156
  128    HB3  ASN  18           HB3      ASN  18  -5.564  -3.604  -2.149
  129   HD21  ASN  18          HD21      ASN  18  -2.340  -4.929  -2.254
  130   HD22  ASN  18          HD22      ASN  18  -2.230  -5.284  -0.525
  131    H    TYR  19           H        TYR  19  -5.579  -5.516  -5.770
  132    HA   TYR  19           HA       TYR  19  -8.092  -3.914  -5.971
  133    HB2  TYR  19           HB2      TYR  19  -6.151  -5.189  -7.890
  134    HB3  TYR  19           HB3      TYR  19  -7.708  -4.588  -8.420
  135    HD1  TYR  19           HD1      TYR  19  -4.377  -3.852  -8.166
  136    HD2  TYR  19           HD2      TYR  19  -8.264  -2.093  -7.725
  137    HE1  TYR  19           HE1      TYR  19  -3.663  -1.999  -9.594
  138    HE2  TYR  19           HE2      TYR  19  -7.425   0.007  -8.848
  139    HH   TYR  19           HH       TYR  19  -4.282   0.054 -10.552
  140    H    CYS  20           H        CYS  20  -6.991  -7.293  -6.388
  141    HA   CYS  20           HA       CYS  20  -9.050  -8.136  -7.937
  142    HB2  CYS  20           HB2      CYS  20  -7.812  -9.931  -5.859
  143    HB3  CYS  20           HB3      CYS  20  -8.510 -10.376  -7.445
  144    H    ASN  21           H        ASN  21 -10.952  -9.331  -7.661
  145    HA   ASN  21           HA       ASN  21 -12.532  -8.277  -5.543
  146    HB2  ASN  21           HB2      ASN  21 -12.967  -8.295  -8.052
  147    HB3  ASN  21           HB3      ASN  21 -13.249 -10.033  -7.939
  148   HD21  ASN  21          HD21      ASN  21 -15.273  -9.315  -8.982
  149   HD22  ASN  21          HD22      ASN  21 -16.569  -8.739  -7.941
  150    H    SER  22           H        SER  22 -10.802 -10.184  -4.462
  151    HA   SER  22           HA       SER  22 -12.032 -12.807  -4.120
  152    HB2  SER  22           HB2      SER  22  -9.637 -11.535  -2.755
  153    HB3  SER  22           HB3      SER  22 -10.093 -13.244  -2.662
  154    HG   SER  22           HG       SER  22  -9.900 -13.302  -4.997
  155    H1   PHE   1           H1       PHE   1   9.777 -11.307  -5.021
  156    H2   PHE   1           H2       PHE   1   9.534  -9.709  -4.771
  157    H3   PHE   1           H3       PHE   1  10.904 -10.219  -5.496
  158    HA   PHE   1           HA       PHE   1   9.701 -11.016  -7.406
  159    HB2  PHE   1           HB2      PHE   1   7.599 -11.472  -6.014
  160    HB3  PHE   1           HB3      PHE   1   7.221  -9.760  -6.180
  161    HD1  PHE   1           HD1      PHE   1   6.539  -8.857  -8.402
  162    HD2  PHE   1           HD2      PHE   1   7.510 -13.029  -7.903
  163    HE1  PHE   1           HE1      PHE   1   5.479  -9.361 -10.583
  164    HE2  PHE   1           HE2      PHE   1   6.445 -13.527 -10.088
  165    HZ   PHE   1           HZ       PHE   1   5.421 -11.700 -11.430
  166    H    VAL   2           H        VAL   2   9.201  -9.673  -9.204
  167    HA   VAL   2           HA       VAL   2  10.783  -7.268  -9.103
  168    HB   VAL   2           HB       VAL   2  10.264  -7.116 -11.532
  169   HG11  VAL   2          HG11      VAL   2  11.243  -9.839 -10.573
  170   HG12  VAL   2          HG12      VAL   2  11.557  -9.087 -12.146
  171   HG13  VAL   2          HG13      VAL   2  12.210  -8.350 -10.678
  172   HG21  VAL   2          HG21      VAL   2   8.010  -8.217 -11.538
  173   HG22  VAL   2          HG22      VAL   2   9.147  -8.953 -12.683
  174   HG23  VAL   2          HG23      VAL   2   8.781  -9.763 -11.154
  175    H    LYS   3           H        LYS   3  10.316  -5.177  -9.265
  176    HA   LYS   3           HA       LYS   3   7.472  -4.286  -9.073
  177    HB2  LYS   3           HB2      LYS   3   9.970  -2.865  -8.110
  178    HB3  LYS   3           HB3      LYS   3   8.289  -2.400  -7.799
  179    HG2  LYS   3           HG2      LYS   3   7.941  -4.424  -6.450
  180    HG3  LYS   3           HG3      LYS   3   9.586  -4.977  -6.816
  181    HD2  LYS   3           HD2      LYS   3  10.462  -2.852  -5.745
  182    HD3  LYS   3           HD3      LYS   3   8.804  -2.571  -5.148
  183    HE2  LYS   3           HE2      LYS   3   8.835  -4.827  -4.078
  184    HE3  LYS   3           HE3      LYS   3  10.447  -5.113  -4.743
  185    HZ1  LYS   3           HZ1      LYS   3  11.266  -3.255  -3.381
  186    HZ2  LYS   3           HZ2      LYS   3  10.568  -4.383  -2.427
  187    HZ3  LYS   3           HZ3      LYS   3   9.774  -2.999  -2.756
  188    H    GLN   4           H        GLN   4   6.660  -2.785 -10.446
  189    HA   GLN   4           HA       GLN   4   8.480  -1.399 -12.382
  190    HB2  GLN   4           HB2      GLN   4   5.825  -2.684 -13.134
  191    HB3  GLN   4           HB3      GLN   4   6.881  -1.759 -14.180
  192    HG2  GLN   4           HG2      GLN   4   7.203  -3.962 -14.817
  193    HG3  GLN   4           HG3      GLN   4   8.647  -3.551 -13.887
  194   HE21  GLN   4          HE21      GLN   4   5.309  -4.749 -13.041
  195   HE22  GLN   4          HE22      GLN   4   5.926  -6.093 -12.079
  196    H    HIS   5           H        HIS   5   7.647   0.478 -13.346
  197    HA   HIS   5           HA       HIS   5   5.566   1.955 -11.854
  198    HB2  HIS   5           HB2      HIS   5   6.263   3.793 -13.491
  199    HB3  HIS   5           HB3      HIS   5   7.380   3.350 -12.205
  200    HD1  HIS   5           HD1      HIS   5   9.811   2.961 -12.930
  201    HD2  HIS   5           HD2      HIS   5   6.995   2.451 -16.023
  202    HE1  HIS   5           HE1      HIS   5  11.148   2.517 -15.051
  203    H    LEU   6           H        LEU   6   3.499   2.066 -12.569
  204    HA   LEU   6           HA       LEU   6   2.867   1.451 -15.418
  205    HB2  LEU   6           HB2      LEU   6   1.577  -0.091 -13.140
  206    HB3  LEU   6           HB3      LEU   6   1.439  -0.351 -14.854
  207    HG   LEU   6           HG       LEU   6   4.037  -0.787 -13.432
  208   HD11  LEU   6          HD11      LEU   6   1.807  -2.742 -13.882
  209   HD12  LEU   6          HD12      LEU   6   2.383  -2.107 -12.324
  210   HD13  LEU   6          HD13      LEU   6   3.440  -3.137 -13.304
  211   HD21  LEU   6          HD21      LEU   6   4.625  -2.250 -15.240
  212   HD22  LEU   6          HD22      LEU   6   4.072  -0.757 -16.008
  213   HD23  LEU   6          HD23      LEU   6   3.008  -2.187 -15.928
  214    H    CYS   7           H        CYS   7   1.195   2.484 -16.148
  215    HA   CYS   7           HA       CYS   7  -0.763   3.830 -14.329
  216    HB2  CYS   7           HB2      CYS   7   0.399   4.793 -16.960
  217    HB3  CYS   7           HB3      CYS   7  -0.695   5.687 -15.915
  218    H    GLY   8           H        GLY   8  -2.900   3.362 -14.833
  219    HA2  GLY   8           HA2      GLY   8  -4.761   2.547 -15.921
  220    HA3  GLY   8           HA3      GLY   8  -4.031   3.199 -17.386
  221    H    SER   9           H        SER   9  -3.681   1.756 -18.992
  222    HA   SER   9           HA       SER   9  -4.284  -0.981 -18.894
  223    HB2  SER   9           HB2      SER   9  -2.361   0.482 -20.768
  224    HB3  SER   9           HB3      SER   9  -3.185  -1.060 -21.113
  225    HG   SER   9           HG       SER   9  -4.271   0.752 -22.052
  226    H    HIS  10           H        HIS  10  -1.031   0.519 -18.468
  227    HA   HIS  10           HA       HIS  10   0.431  -2.009 -18.403
  228    HB2  HIS  10           HB2      HIS  10   0.995   0.698 -17.121
  229    HB3  HIS  10           HB3      HIS  10   2.145  -0.612 -17.184
  230    HD1  HIS  10           HD1      HIS  10   2.991  -1.207 -19.865
  231    HD2  HIS  10           HD2      HIS  10   0.804   2.282 -19.069
  232    HE1  HIS  10           HE1      HIS  10   3.322   0.298 -21.896
  233    H    LEU  11           H        LEU  11  -1.302  -0.068 -16.032
  234    HA   LEU  11           HA       LEU  11  -0.258  -1.352 -13.669
  235    HB2  LEU  11           HB2      LEU  11  -1.451   1.003 -14.158
  236    HB3  LEU  11           HB3      LEU  11  -2.922   0.093 -13.836
  237    HG   LEU  11           HG       LEU  11  -0.582   0.635 -11.984
  238   HD11  LEU  11          HD11      LEU  11  -2.549   1.559 -10.621
  239   HD12  LEU  11          HD12      LEU  11  -3.517   1.412 -12.090
  240   HD13  LEU  11          HD13      LEU  11  -2.089   2.470 -12.089
  241   HD21  LEU  11          HD21      LEU  11  -2.911  -1.251 -11.591
  242   HD22  LEU  11          HD22      LEU  11  -1.958  -0.574 -10.241
  243   HD23  LEU  11          HD23      LEU  11  -1.159  -1.561 -11.452
  244    H    VAL  12           H        VAL  12  -3.240  -1.614 -15.597
  245    HA   VAL  12           HA       VAL  12  -4.385  -3.946 -14.332
  246    HB   VAL  12           HB       VAL  12  -4.635  -2.854 -17.160
  247   HG11  VAL  12          HG11      VAL  12  -6.666  -4.336 -17.338
  248   HG12  VAL  12          HG12      VAL  12  -5.134  -5.211 -17.378
  249   HG13  VAL  12          HG13      VAL  12  -6.098  -5.200 -15.885
  250   HG21  VAL  12          HG21      VAL  12  -5.616  -1.478 -15.346
  251   HG22  VAL  12          HG22      VAL  12  -6.871  -2.175 -16.370
  252   HG23  VAL  12          HG23      VAL  12  -6.529  -2.892 -14.777
  253    H    GLU  13           H        GLU  13  -1.711  -3.611 -16.770
  254    HA   GLU  13           HA       GLU  13  -1.729  -6.407 -17.447
  255    HB2  GLU  13           HB2      GLU  13  -0.625  -4.466 -18.723
  256    HB3  GLU  13           HB3      GLU  13   0.713  -4.626 -17.573
  257    HG2  GLU  13           HG2      GLU  13   1.065  -6.955 -18.264
  258    HG3  GLU  13           HG3      GLU  13  -0.341  -6.875 -19.331
  259    H    ALA  14           H        ALA  14  -0.557  -4.685 -14.614
  260    HA   ALA  14           HA       ALA  14   0.839  -7.134 -13.606
  261    HB1  ALA  14           HB1      ALA  14   1.187  -5.765 -11.611
  262    HB2  ALA  14           HB2      ALA  14   1.848  -4.997 -13.082
  263    HB3  ALA  14           HB3      ALA  14   0.328  -4.395 -12.394
  264    H    LEU  15           H        LEU  15  -2.013  -5.086 -12.745
  265    HA   LEU  15           HA       LEU  15  -3.163  -6.511 -10.747
  266    HB2  LEU  15           HB2      LEU  15  -3.765  -4.352 -12.241
  267    HB3  LEU  15           HB3      LEU  15  -4.874  -5.490 -13.022
  268    HG   LEU  15           HG       LEU  15  -4.757  -4.668 -10.138
  269   HD11  LEU  15          HD11      LEU  15  -6.727  -4.150 -12.393
  270   HD12  LEU  15          HD12      LEU  15  -5.682  -2.966 -11.608
  271   HD13  LEU  15          HD13      LEU  15  -7.015  -3.700 -10.695
  272   HD21  LEU  15          HD21      LEU  15  -6.888  -5.990  -9.965
  273   HD22  LEU  15          HD22      LEU  15  -5.382  -6.880 -10.039
  274   HD23  LEU  15          HD23      LEU  15  -6.407  -6.755 -11.495
  275    H    TYR  16           H        TYR  16  -3.693  -7.092 -14.179
  276    HA   TYR  16           HA       TYR  16  -5.556  -9.279 -14.064
  277    HB2  TYR  16           HB2      TYR  16  -4.974  -7.584 -15.904
  278    HB3  TYR  16           HB3      TYR  16  -3.546  -8.533 -16.259
  279    HD1  TYR  16           HD1      TYR  16  -6.507  -7.648 -17.523
  280    HD2  TYR  16           HD2      TYR  16  -4.374 -11.286 -16.556
  281    HE1  TYR  16           HE1      TYR  16  -7.914  -8.920 -19.138
  282    HE2  TYR  16           HE2      TYR  16  -5.769 -12.542 -18.162
  283    HH   TYR  16           HH       TYR  16  -8.368 -10.959 -20.079
  284    H    LEU  17           H        LEU  17  -2.051  -9.195 -13.836
  285    HA   LEU  17           HA       LEU  17  -1.672 -12.068 -14.334
  286    HB2  LEU  17           HB2      LEU  17  -0.066 -10.296 -15.090
  287    HB3  LEU  17           HB3      LEU  17   0.165  -9.778 -13.458
  288    HG   LEU  17           HG       LEU  17   1.135 -11.818 -12.722
  289   HD11  LEU  17          HD11      LEU  17   0.131 -13.483 -14.247
  290   HD12  LEU  17          HD12      LEU  17   1.888 -13.543 -14.396
  291   HD13  LEU  17          HD13      LEU  17   0.921 -12.717 -15.648
  292   HD21  LEU  17          HD21      LEU  17   3.280 -11.613 -13.955
  293   HD22  LEU  17          HD22      LEU  17   2.573 -10.027 -13.594
  294   HD23  LEU  17          HD23      LEU  17   2.461 -10.697 -15.235
  295    H    VAL  18           H        VAL  18  -1.520  -9.665 -11.789
  296    HA   VAL  18           HA       VAL  18  -0.678 -11.250  -9.580
  297    HB   VAL  18           HB       VAL  18  -2.313  -8.660  -9.696
  298   HG11  VAL  18          HG11      VAL  18  -2.586  -9.505  -7.550
  299   HG12  VAL  18          HG12      VAL  18  -0.955 -10.190  -7.463
  300   HG13  VAL  18          HG13      VAL  18  -1.192  -8.451  -7.350
  301   HG21  VAL  18          HG21      VAL  18   0.385  -9.090 -10.530
  302   HG22  VAL  18          HG22      VAL  18  -0.428  -7.559 -10.201
  303   HG23  VAL  18          HG23      VAL  18   0.482  -8.329  -8.953
  304    H    CYS  19           H        CYS  19  -3.851 -10.312 -10.809
  305    HA   CYS  19           HA       CYS  19  -5.369 -11.852  -8.798
  306    HB2  CYS  19           HB2      CYS  19  -6.137 -10.632 -11.463
  307    HB3  CYS  19           HB3      CYS  19  -7.278 -11.397 -10.349
  308    H    GLY  20           H        GLY  20  -4.087 -12.364 -12.058
  309    HA2  GLY  20           HA2      GLY  20  -4.146 -14.135 -13.501
  310    HA3  GLY  20           HA3      GLY  20  -4.047 -15.181 -12.065
  311    H    GLU  21           H        GLU  21  -6.432 -13.106 -13.719
  312    HA   GLU  21           HA       GLU  21  -8.629 -13.135 -14.021
  313    HB2  GLU  21           HB2      GLU  21  -7.990 -16.009 -14.596
  314    HB3  GLU  21           HB3      GLU  21  -9.546 -15.260 -14.979
  315    HG2  GLU  21           HG2      GLU  21  -8.398 -13.570 -16.381
  316    HG3  GLU  21           HG3      GLU  21  -6.847 -14.340 -16.038
  317    H    ARG  22           H        ARG  22  -7.785 -13.857 -11.094
  318    HA   ARG  22           HA       ARG  22 -10.217 -14.909  -9.917
  319    HB2  ARG  22           HB2      ARG  22  -8.012 -13.085  -8.867
  320    HB3  ARG  22           HB3      ARG  22  -9.429 -13.454  -7.905
  321    HG2  ARG  22           HG2      ARG  22  -8.993 -15.857  -8.037
  322    HG3  ARG  22           HG3      ARG  22  -7.538 -15.583  -8.999
  323    HD2  ARG  22           HD2      ARG  22  -8.015 -14.460  -6.200
  324    HD3  ARG  22           HD3      ARG  22  -7.181 -15.989  -6.521
  325    HE   ARG  22           HE       ARG  22  -5.760 -14.202  -8.050
  326   HH11  ARG  22          HH11      ARG  22  -6.545 -14.245  -4.614
  327   HH12  ARG  22          HH12      ARG  22  -5.012 -13.517  -4.184
  328   HH21  ARG  22          HH21      ARG  22  -3.807 -13.178  -7.330
  329   HH22  ARG  22          HH22      ARG  22  -3.575 -12.966  -5.618
  330    H    GLY  23           H        GLY  23  -9.700 -11.982 -11.554
  331    HA2  GLY  23           HA2      GLY  23 -11.294 -10.418 -12.225
  332    HA3  GLY  23           HA3      GLY  23 -12.421 -10.978 -11.004
  333    H    PHE  24           H        PHE  24 -11.852  -8.316 -11.585
  334    HA   PHE  24           HA       PHE  24 -11.036  -6.949  -9.148
  335    HB2  PHE  24           HB2      PHE  24  -9.046  -5.922 -10.131
  336    HB3  PHE  24           HB3      PHE  24  -8.833  -7.646  -9.973
  337    HD1  PHE  24           HD1      PHE  24  -8.812  -9.143 -11.949
  338    HD2  PHE  24           HD2      PHE  24  -8.945  -4.854 -12.334
  339    HE1  PHE  24           HE1      PHE  24  -8.132  -9.348 -14.310
  340    HE2  PHE  24           HE2      PHE  24  -8.082  -5.045 -14.670
  341    HZ   PHE  24           HZ       PHE  24  -7.751  -7.284 -15.673
  342    H    PHE  25           H        PHE  25 -10.743  -4.561  -9.607
  343    HA   PHE  25           HA       PHE  25 -11.555  -3.539 -12.192
  344    HB2  PHE  25           HB2      PHE  25 -13.738  -3.565 -11.079
  345    HB3  PHE  25           HB3      PHE  25 -13.068  -2.698  -9.696
  346    HD1  PHE  25           HD1      PHE  25 -13.237  -0.353  -9.661
  347    HD2  PHE  25           HD2      PHE  25 -13.332  -2.402 -13.449
  348    HE1  PHE  25           HE1      PHE  25 -13.579   1.819 -10.820
  349    HE2  PHE  25           HE2      PHE  25 -13.644  -0.227 -14.616
  350    HZ   PHE  25           HZ       PHE  25 -13.765   1.886 -13.307
  351    H    TYR  26           H        TYR  26 -10.477  -1.643 -12.634
  352    HA   TYR  26           HA       TYR  26  -8.171  -1.136 -10.925
  353    HB2  TYR  26           HB2      TYR  26  -7.447   0.173 -13.024
  354    HB3  TYR  26           HB3      TYR  26  -7.535  -1.572 -13.046
  355    HD1  TYR  26           HD1      TYR  26  -9.222   1.519 -14.259
  356    HD2  TYR  26           HD2      TYR  26  -9.086  -2.796 -14.415
  357    HE1  TYR  26           HE1      TYR  26 -10.772   1.538 -16.212
  358    HE2  TYR  26           HE2      TYR  26 -10.647  -2.766 -16.364
  359    HH   TYR  26           HH       TYR  26 -11.924   0.279 -17.746
  360    H    THR  27           H        THR  27 -10.044  -0.196  -9.430
  361    HA   THR  27           HA       THR  27 -11.185   2.285  -9.652
  362    HB   THR  27           HB       THR  27  -9.946   1.234  -7.093
  363    HG1  THR  27           HG1      THR  27 -11.850   0.086  -6.882
  364   HG21  THR  27          HG21      THR  27 -10.971   3.488  -6.884
  365   HG22  THR  27          HG22      THR  27 -11.966   2.277  -6.069
  366   HG23  THR  27          HG23      THR  27 -12.454   2.897  -7.664
  367    HA   PRO  28           HA       PRO  28  -7.455   4.914  -9.496
  368    HB2  PRO  28           HB2      PRO  28  -9.270   7.092 -10.384
  369    HB3  PRO  28           HB3      PRO  28  -7.762   6.494 -11.142
  370    HG2  PRO  28           HG2      PRO  28 -10.210   5.979 -12.238
  371    HG3  PRO  28           HG3      PRO  28  -8.912   4.737 -12.235
  372    HD2  PRO  28           HD2      PRO  28 -11.188   5.064 -10.246
  373    HD3  PRO  28           HD3      PRO  28 -10.712   3.611 -11.174
  374    H    LYS  29           H        LYS  29  -7.018   7.218  -8.585
  375    HA   LYS  29           HA       LYS  29  -8.106   7.519  -5.886
  376    HB2  LYS  29           HB2      LYS  29  -5.774   8.084  -6.496
  377    HB3  LYS  29           HB3      LYS  29  -6.355   9.396  -7.536
  378    HG2  LYS  29           HG2      LYS  29  -7.287  10.569  -5.591
  379    HG3  LYS  29           HG3      LYS  29  -6.940   9.191  -4.545
  380    HD2  LYS  29           HD2      LYS  29  -5.329  10.911  -4.127
  381    HD3  LYS  29           HD3      LYS  29  -4.502   9.548  -4.882
  382    HE2  LYS  29           HE2      LYS  29  -4.456  10.699  -7.040
  383    HE3  LYS  29           HE3      LYS  29  -5.466  12.014  -6.398
  384    HZ1  LYS  29           HZ1      LYS  29  -3.656  12.611  -4.908
  385    HZ2  LYS  29           HZ2      LYS  29  -3.065  12.568  -6.429
  386    HZ3  LYS  29           HZ3      LYS  29  -2.747  11.344  -5.377
  387    H    THR  30           H        THR  30  -8.847   8.897  -9.013
  388    HA   THR  30           HA       THR  30 -10.418  10.338  -9.782
  389    HB   THR  30           HB       THR  30 -12.231   9.234  -7.632
  390    HG1  THR  30           HG1      THR  30 -12.454   7.457  -8.962
  391   HG21  THR  30          HG21      THR  30 -13.256  10.864  -9.249
  392   HG22  THR  30          HG22      THR  30 -13.887   9.234  -9.482
  393   HG23  THR  30          HG23      THR  30 -12.653   9.872 -10.596
  394    H    ARG  31           H        ARG  31  -8.730  11.811  -8.479
  395    HA   ARG  31           HA       ARG  31  -9.770  13.522  -6.430
  396    HB2  ARG  31           HB2      ARG  31  -7.825  14.741  -6.580
  397    HB3  ARG  31           HB3      ARG  31  -7.315  13.131  -7.048
  398    HG2  ARG  31           HG2      ARG  31  -7.810  15.524  -8.878
  399    HG3  ARG  31           HG3      ARG  31  -6.249  14.873  -8.408
  400    HD2  ARG  31           HD2      ARG  31  -6.593  12.843  -9.667
  401    HD3  ARG  31           HD3      ARG  31  -8.266  13.263 -10.033
  402    HE   ARG  31           HE       ARG  31  -5.876  14.276 -11.350
  403   HH11  ARG  31          HH11      ARG  31  -9.297  14.975 -10.788
  404   HH12  ARG  31          HH12      ARG  31  -9.407  15.902 -12.264
  405   HH21  ARG  31          HH21      ARG  31  -6.117  15.520 -13.175
  406   HH22  ARG  31          HH22      ARG  31  -7.667  16.211 -13.557
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -6.065   4.902  -2.967
    2    H2   GLY   1           H2       GLY   1  -7.261   5.809  -3.599
    3    H3   GLY   1           H3       GLY   1  -5.704   6.327  -3.699
    4    HA2  GLY   1           HA2      GLY   1  -6.853   3.979  -5.080
    5    HA3  GLY   1           HA3      GLY   1  -6.362   5.501  -5.842
    6    H    ILE   2           H        ILE   2  -5.418   2.557  -6.019
    7    HA   ILE   2           HA       ILE   2  -2.713   2.523  -4.907
    8    HB   ILE   2           HB       ILE   2  -3.920   0.481  -4.904
    9   HG12  ILE   2          HG12      ILE   2  -2.010   0.238  -7.244
   10   HG13  ILE   2          HG13      ILE   2  -1.463   0.415  -5.570
   11   HG21  ILE   2          HG21      ILE   2  -4.771  -0.572  -6.942
   12   HG22  ILE   2          HG22      ILE   2  -5.591   0.933  -6.656
   13   HG23  ILE   2          HG23      ILE   2  -4.324   0.879  -7.903
   14   HD11  ILE   2          HD11      ILE   2  -2.609  -1.740  -5.019
   15   HD12  ILE   2          HD12      ILE   2  -3.012  -1.946  -6.735
   16   HD13  ILE   2          HD13      ILE   2  -1.311  -1.883  -6.231
   17    H    VAL   3           H        VAL   3  -4.052   2.905  -8.199
   18    HA   VAL   3           HA       VAL   3  -2.014   3.347  -9.869
   19    HB   VAL   3           HB       VAL   3  -4.181   5.435  -9.391
   20   HG11  VAL   3          HG11      VAL   3  -2.851   4.487 -11.963
   21   HG12  VAL   3          HG12      VAL   3  -4.144   5.695 -11.840
   22   HG13  VAL   3          HG13      VAL   3  -2.565   6.038 -11.155
   23   HG21  VAL   3          HG21      VAL   3  -5.396   3.332  -9.400
   24   HG22  VAL   3          HG22      VAL   3  -5.644   4.152 -10.926
   25   HG23  VAL   3          HG23      VAL   3  -4.516   2.794 -10.845
   26    H    GLU   4           H        GLU   4  -2.824   5.630  -7.238
   27    HA   GLU   4           HA       GLU   4  -1.014   7.630  -8.134
   28    HB2  GLU   4           HB2      GLU   4  -2.860   8.008  -6.516
   29    HB3  GLU   4           HB3      GLU   4  -1.998   7.057  -5.300
   30    HG2  GLU   4           HG2      GLU   4  -0.169   8.698  -5.274
   31    HG3  GLU   4           HG3      GLU   4  -0.936   9.612  -6.580
   32    H    GLN   5           H        GLN   5  -0.542   4.763  -6.171
   33    HA   GLN   5           HA       GLN   5   2.259   5.275  -5.477
   34    HB2  GLN   5           HB2      GLN   5   0.252   3.787  -4.348
   35    HB3  GLN   5           HB3      GLN   5   1.041   2.533  -5.261
   36    HG2  GLN   5           HG2      GLN   5   2.328   4.353  -3.173
   37    HG3  GLN   5           HG3      GLN   5   1.876   2.661  -2.960
   38   HE21  GLN   5          HE21      GLN   5   2.996   1.063  -4.528
   39   HE22  GLN   5          HE22      GLN   5   4.657   1.422  -4.987
   40    H    CYS   6           H        CYS   6   0.478   3.062  -7.659
   41    HA   CYS   6           HA       CYS   6   2.871   1.796  -8.628
   42    HB2  CYS   6           HB2      CYS   6   0.080   1.586  -9.706
   43    HB3  CYS   6           HB3      CYS   6   1.445   0.555 -10.124
   44    H    CYS   7           H        CYS   7   1.004   4.498  -9.972
   45    HA   CYS   7           HA       CYS   7   2.367   4.246 -12.565
   46    HB2  CYS   7           HB2      CYS   7   0.034   4.929 -12.439
   47    HB3  CYS   7           HB3      CYS   7   0.397   6.242 -11.360
   48    H    THR   8           H        THR   8   2.663   6.299  -9.613
   49    HA   THR   8           HA       THR   8   4.788   7.950 -10.838
   50    HB   THR   8           HB       THR   8   4.812   9.252  -8.866
   51    HG1  THR   8           HG1      THR   8   2.844   7.745  -7.578
   52   HG21  THR   8          HG21      THR   8   2.544  10.063  -8.734
   53   HG22  THR   8          HG22      THR   8   1.912   8.548  -9.419
   54   HG23  THR   8          HG23      THR   8   2.924   9.618 -10.413
   55    H    SER   9           H        SER   9   4.541   5.313  -8.469
   56    HA   SER   9           HA       SER   9   7.494   5.068  -8.558
   57    HB2  SER   9           HB2      SER   9   6.894   6.091  -6.431
   58    HB3  SER   9           HB3      SER   9   5.811   4.734  -6.064
   59    HG   SER   9           HG       SER   9   7.939   4.623  -5.098
   60    H    ILE  10           H        ILE  10   7.342   2.680  -6.918
   61    HA   ILE  10           HA       ILE  10   6.613   0.867  -9.140
   62    HB   ILE  10           HB       ILE  10   8.439  -0.574  -8.228
   63   HG12  ILE  10          HG12      ILE  10   8.914   1.891  -6.458
   64   HG13  ILE  10          HG13      ILE  10   8.560   0.259  -5.929
   65   HG21  ILE  10          HG21      ILE  10   9.260   2.229  -9.086
   66   HG22  ILE  10          HG22      ILE  10  10.150   0.713  -9.350
   67   HG23  ILE  10          HG23      ILE  10   8.616   0.986 -10.177
   68   HD11  ILE  10          HD11      ILE  10  10.796  -0.423  -6.918
   69   HD12  ILE  10          HD12      ILE  10  11.077   1.325  -7.233
   70   HD13  ILE  10          HD13      ILE  10  10.876   0.758  -5.578
   71    H    CYS  11           H        CYS  11   5.672  -1.031  -8.956
   72    HA   CYS  11           HA       CYS  11   4.578  -1.980  -6.353
   73    HB2  CYS  11           HB2      CYS  11   3.081  -1.370  -8.931
   74    HB3  CYS  11           HB3      CYS  11   2.432  -2.431  -7.681
   75    H    SER  12           H        SER  12   3.519  -4.129  -6.598
   76    HA   SER  12           HA       SER  12   4.395  -5.997  -8.673
   77    HB2  SER  12           HB2      SER  12   5.605  -7.456  -7.174
   78    HB3  SER  12           HB3      SER  12   6.406  -5.882  -7.185
   79    HG   SER  12           HG       SER  12   5.593  -5.456  -5.171
   80    H    LEU  13           H        LEU  13   3.743  -8.374  -7.575
   81    HA   LEU  13           HA       LEU  13   0.965  -8.418  -7.286
   82    HB2  LEU  13           HB2      LEU  13   2.382 -10.513  -5.747
   83    HB3  LEU  13           HB3      LEU  13   1.206 -10.689  -7.025
   84    HG   LEU  13           HG       LEU  13   4.208 -10.283  -7.356
   85   HD11  LEU  13          HD11      LEU  13   2.427 -12.742  -7.650
   86   HD12  LEU  13          HD12      LEU  13   3.633 -12.443  -6.379
   87   HD13  LEU  13          HD13      LEU  13   4.148 -12.674  -8.055
   88   HD21  LEU  13          HD21      LEU  13   3.943 -10.918  -9.692
   89   HD22  LEU  13          HD22      LEU  13   2.973  -9.476  -9.387
   90   HD23  LEU  13          HD23      LEU  13   2.191 -11.078  -9.498
   91    H    TYR  14           H        TYR  14   3.444  -7.924  -4.883
   92    HA   TYR  14           HA       TYR  14   1.954  -8.278  -2.497
   93    HB2  TYR  14           HB2      TYR  14   4.585  -7.707  -3.250
   94    HB3  TYR  14           HB3      TYR  14   4.093  -6.229  -2.470
   95    HD1  TYR  14           HD1      TYR  14   3.658  -6.234  -0.017
   96    HD2  TYR  14           HD2      TYR  14   4.590  -9.867  -2.146
   97    HE1  TYR  14           HE1      TYR  14   4.040  -7.402   2.153
   98    HE2  TYR  14           HE2      TYR  14   4.980 -11.041   0.035
   99    HH   TYR  14           HH       TYR  14   4.611  -9.364   3.183
  100    H    GLN  15           H        GLN  15   1.759  -5.687  -4.831
  101    HA   GLN  15           HA       GLN  15   0.126  -4.058  -2.904
  102    HB2  GLN  15           HB2      GLN  15   1.411  -3.092  -5.471
  103    HB3  GLN  15           HB3      GLN  15   0.449  -2.179  -4.293
  104    HG2  GLN  15           HG2      GLN  15   2.358  -3.243  -2.633
  105    HG3  GLN  15           HG3      GLN  15   3.289  -3.154  -4.121
  106   HE21  GLN  15          HE21      GLN  15   4.313  -1.704  -2.140
  107   HE22  GLN  15          HE22      GLN  15   3.882  -0.006  -2.291
  108    H    LEU  16           H        LEU  16   0.253  -5.278  -6.267
  109    HA   LEU  16           HA       LEU  16  -2.330  -4.378  -7.110
  110    HB2  LEU  16           HB2      LEU  16  -0.382  -6.487  -8.015
  111    HB3  LEU  16           HB3      LEU  16  -1.966  -6.264  -8.803
  112    HG   LEU  16           HG       LEU  16  -0.041  -5.289  -9.956
  113   HD11  LEU  16          HD11      LEU  16  -1.933  -3.087  -9.241
  114   HD12  LEU  16          HD12      LEU  16  -2.604  -4.546  -9.961
  115   HD13  LEU  16          HD13      LEU  16  -1.385  -3.645 -10.845
  116   HD21  LEU  16          HD21      LEU  16   1.214  -4.221  -8.194
  117   HD22  LEU  16          HD22      LEU  16  -0.182  -3.195  -7.770
  118   HD23  LEU  16          HD23      LEU  16   0.647  -2.992  -9.331
  119    H    GLU  17           H        GLU  17  -1.495  -7.408  -5.323
  120    HA   GLU  17           HA       GLU  17  -3.985  -8.641  -6.106
  121    HB2  GLU  17           HB2      GLU  17  -1.741  -9.702  -5.227
  122    HB3  GLU  17           HB3      GLU  17  -2.542  -9.561  -3.647
  123    HG2  GLU  17           HG2      GLU  17  -4.519 -10.794  -4.690
  124    HG3  GLU  17           HG3      GLU  17  -3.573 -10.957  -6.169
  125    H    ASN  18           H        ASN  18  -3.503  -6.077  -4.159
  126    HA   ASN  18           HA       ASN  18  -5.787  -6.425  -2.325
  127    HB2  ASN  18           HB2      ASN  18  -4.175  -3.981  -3.192
  128    HB3  ASN  18           HB3      ASN  18  -5.515  -3.911  -2.076
  129   HD21  ASN  18          HD21      ASN  18  -2.172  -4.673  -2.419
  130   HD22  ASN  18          HD22      ASN  18  -1.894  -5.164  -0.745
  131    H    TYR  19           H        TYR  19  -5.438  -5.684  -5.769
  132    HA   TYR  19           HA       TYR  19  -7.978  -4.133  -5.868
  133    HB2  TYR  19           HB2      TYR  19  -6.051  -5.311  -7.871
  134    HB3  TYR  19           HB3      TYR  19  -7.623  -4.723  -8.355
  135    HD1  TYR  19           HD1      TYR  19  -8.234  -2.273  -7.628
  136    HD2  TYR  19           HD2      TYR  19  -4.312  -3.920  -8.125
  137    HE1  TYR  19           HE1      TYR  19  -7.527  -0.198  -8.866
  138    HE2  TYR  19           HE2      TYR  19  -3.689  -2.066  -9.605
  139    HH   TYR  19           HH       TYR  19  -6.004   0.622 -10.367
  140    H    CYS  20           H        CYS  20  -6.876  -7.478  -6.352
  141    HA   CYS  20           HA       CYS  20  -8.932  -8.312  -7.943
  142    HB2  CYS  20           HB2      CYS  20  -7.590 -10.120  -5.951
  143    HB3  CYS  20           HB3      CYS  20  -8.320 -10.530  -7.539
  144    H    ASN  21           H        ASN  21 -10.802  -9.504  -7.704
  145    HA   ASN  21           HA       ASN  21 -12.315  -8.907  -5.317
  146    HB2  ASN  21           HB2      ASN  21 -13.005  -8.338  -7.667
  147    HB3  ASN  21           HB3      ASN  21 -13.025 -10.060  -8.068
  148   HD21  ASN  21          HD21      ASN  21 -15.172  -9.453  -8.804
  149   HD22  ASN  21          HD22      ASN  21 -16.463  -9.510  -7.616
  150    H    SER  22           H        SER  22 -10.527 -10.649  -4.524
  151    HA   SER  22           HA       SER  22 -10.727 -13.401  -5.020
  152    HB2  SER  22           HB2      SER  22  -9.773 -12.001  -2.494
  153    HB3  SER  22           HB3      SER  22  -9.360 -13.655  -2.997
  154    HG   SER  22           HG       SER  22  -7.916 -11.688  -3.564
  155    H1   PHE   1           H1       PHE   1   8.098 -13.051 -11.614
  156    H2   PHE   1           H2       PHE   1   9.003 -12.449 -10.384
  157    H3   PHE   1           H3       PHE   1   9.572 -12.392 -11.913
  158    HA   PHE   1           HA       PHE   1   7.864 -10.878 -12.594
  159    HB2  PHE   1           HB2      PHE   1   6.300  -9.920 -11.019
  160    HB3  PHE   1           HB3      PHE   1   6.116 -11.656 -11.041
  161    HD1  PHE   1           HD1      PHE   1   7.209  -8.735  -9.030
  162    HD2  PHE   1           HD2      PHE   1   6.669 -13.025  -9.064
  163    HE1  PHE   1           HE1      PHE   1   7.413  -8.791  -6.555
  164    HE2  PHE   1           HE2      PHE   1   6.867 -13.059  -6.592
  165    HZ   PHE   1           HZ       PHE   1   7.214 -10.941  -5.337
  166    H    VAL   2           H        VAL   2   7.817  -8.473 -11.940
  167    HA   VAL   2           HA       VAL   2  10.429  -7.650 -10.738
  168    HB   VAL   2           HB       VAL   2  10.555  -5.893 -12.523
  169   HG11  VAL   2          HG11      VAL   2  10.746  -8.764 -13.512
  170   HG12  VAL   2          HG12      VAL   2  11.579  -7.350 -14.180
  171   HG13  VAL   2          HG13      VAL   2  11.973  -7.903 -12.547
  172   HG21  VAL   2          HG21      VAL   2   9.440  -6.217 -14.659
  173   HG22  VAL   2          HG22      VAL   2   8.557  -7.625 -14.049
  174   HG23  VAL   2          HG23      VAL   2   8.216  -6.002 -13.400
  175    H    LYS   3           H        LYS   3  10.466  -5.786  -9.566
  176    HA   LYS   3           HA       LYS   3   7.941  -4.416  -8.904
  177    HB2  LYS   3           HB2      LYS   3  10.813  -3.748  -8.141
  178    HB3  LYS   3           HB3      LYS   3   9.354  -2.969  -7.509
  179    HG2  LYS   3           HG2      LYS   3   8.587  -5.110  -6.541
  180    HG3  LYS   3           HG3      LYS   3  10.011  -5.937  -7.197
  181    HD2  LYS   3           HD2      LYS   3  11.471  -4.390  -5.846
  182    HD3  LYS   3           HD3      LYS   3   9.994  -3.753  -5.078
  183    HE2  LYS   3           HE2      LYS   3   9.401  -6.067  -4.361
  184    HE3  LYS   3           HE3      LYS   3  10.862  -6.679  -5.149
  185    HZ1  LYS   3           HZ1      LYS   3  10.843  -4.767  -2.868
  186    HZ2  LYS   3           HZ2      LYS   3  12.188  -5.350  -3.588
  187    HZ3  LYS   3           HZ3      LYS   3  11.203  -6.357  -2.761
  188    H    GLN   4           H        GLN   4   7.092  -2.882 -10.154
  189    HA   GLN   4           HA       GLN   4   8.819  -1.259 -11.969
  190    HB2  GLN   4           HB2      GLN   4   8.177  -3.619 -12.859
  191    HB3  GLN   4           HB3      GLN   4   6.557  -2.958 -13.063
  192    HG2  GLN   4           HG2      GLN   4   7.355  -1.429 -14.760
  193    HG3  GLN   4           HG3      GLN   4   9.041  -1.664 -14.268
  194   HE21  GLN   4          HE21      GLN   4   6.286  -3.858 -15.237
  195   HE22  GLN   4          HE22      GLN   4   7.315  -4.836 -16.280
  196    H    HIS   5           H        HIS   5   7.471   0.199 -13.375
  197    HA   HIS   5           HA       HIS   5   5.429   1.565 -11.691
  198    HB2  HIS   5           HB2      HIS   5   6.365   3.588 -13.007
  199    HB3  HIS   5           HB3      HIS   5   7.164   2.970 -11.571
  200    HD1  HIS   5           HD1      HIS   5   9.668   3.418 -11.964
  201    HD2  HIS   5           HD2      HIS   5   7.713   1.662 -15.252
  202    HE1  HIS   5           HE1      HIS   5  11.486   2.841 -13.653
  203    H    LEU   6           H        LEU   6   3.486   1.622 -12.458
  204    HA   LEU   6           HA       LEU   6   2.961   1.486 -15.395
  205    HB2  LEU   6           HB2      LEU   6   1.514  -0.143 -13.289
  206    HB3  LEU   6           HB3      LEU   6   1.433  -0.269 -15.009
  207    HG   LEU   6           HG       LEU   6   2.527  -2.084 -14.530
  208   HD11  LEU   6          HD11      LEU   6   5.164  -0.798 -14.687
  209   HD12  LEU   6          HD12      LEU   6   4.043  -0.591 -16.056
  210   HD13  LEU   6          HD13      LEU   6   4.501  -2.210 -15.506
  211   HD21  LEU   6          HD21      LEU   6   4.256  -2.439 -12.840
  212   HD22  LEU   6          HD22      LEU   6   2.694  -1.925 -12.210
  213   HD23  LEU   6          HD23      LEU   6   4.016  -0.762 -12.297
  214    H    CYS   7           H        CYS   7   1.238   2.503 -16.137
  215    HA   CYS   7           HA       CYS   7  -0.662   3.878 -14.287
  216    HB2  CYS   7           HB2      CYS   7   0.443   4.834 -16.941
  217    HB3  CYS   7           HB3      CYS   7  -0.606   5.740 -15.850
  218    H    GLY   8           H        GLY   8  -2.769   3.286 -14.661
  219    HA2  GLY   8           HA2      GLY   8  -4.701   2.609 -15.740
  220    HA3  GLY   8           HA3      GLY   8  -3.986   3.269 -17.213
  221    H    SER   9           H        SER   9  -3.723   1.849 -18.837
  222    HA   SER   9           HA       SER   9  -4.411  -0.877 -18.738
  223    HB2  SER   9           HB2      SER   9  -2.566   0.533 -20.720
  224    HB3  SER   9           HB3      SER   9  -3.446  -0.984 -21.010
  225    HG   SER   9           HG       SER   9  -4.548   0.844 -21.879
  226    H    HIS  10           H        HIS  10  -1.100   0.530 -18.428
  227    HA   HIS  10           HA       HIS  10   0.253  -2.056 -18.418
  228    HB2  HIS  10           HB2      HIS  10   1.045   0.608 -17.182
  229    HB3  HIS  10           HB3      HIS  10   2.110  -0.786 -17.316
  230    HD1  HIS  10           HD1      HIS  10   2.821  -1.384 -20.006
  231    HD2  HIS  10           HD2      HIS  10   0.736   2.171 -19.191
  232    HE1  HIS  10           HE1      HIS  10   3.066   0.073 -22.094
  233    H    LEU  11           H        LEU  11  -1.421  -0.115 -15.995
  234    HA   LEU  11           HA       LEU  11  -0.293  -1.501 -13.702
  235    HB2  LEU  11           HB2      LEU  11  -1.408   0.951 -14.036
  236    HB3  LEU  11           HB3      LEU  11  -2.858   0.064 -13.588
  237    HG   LEU  11           HG       LEU  11  -0.331   0.581 -11.970
  238   HD11  LEU  11          HD11      LEU  11  -2.026   2.286 -11.858
  239   HD12  LEU  11          HD12      LEU  11  -2.121   1.340 -10.341
  240   HD13  LEU  11          HD13      LEU  11  -3.305   1.077 -11.611
  241   HD21  LEU  11          HD21      LEU  11  -2.476  -1.442 -11.358
  242   HD22  LEU  11          HD22      LEU  11  -1.369  -0.768 -10.138
  243   HD23  LEU  11          HD23      LEU  11  -0.714  -1.695 -11.486
  244    H    VAL  12           H        VAL  12  -3.364  -1.581 -15.533
  245    HA   VAL  12           HA       VAL  12  -4.477  -3.911 -14.274
  246    HB   VAL  12           HB       VAL  12  -4.819  -2.841 -17.097
  247   HG11  VAL  12          HG11      VAL  12  -6.275  -5.110 -15.697
  248   HG12  VAL  12          HG12      VAL  12  -6.907  -4.274 -17.133
  249   HG13  VAL  12          HG13      VAL  12  -5.396  -5.182 -17.240
  250   HG21  VAL  12          HG21      VAL  12  -6.596  -2.758 -14.618
  251   HG22  VAL  12          HG22      VAL  12  -5.679  -1.390 -15.286
  252   HG23  VAL  12          HG23      VAL  12  -7.007  -2.094 -16.217
  253    H    GLU  13           H        GLU  13  -1.898  -3.599 -16.796
  254    HA   GLU  13           HA       GLU  13  -1.926  -6.382 -17.487
  255    HB2  GLU  13           HB2      GLU  13  -0.790  -4.391 -18.713
  256    HB3  GLU  13           HB3      GLU  13   0.539  -4.644 -17.572
  257    HG2  GLU  13           HG2      GLU  13   1.121  -5.758 -19.553
  258    HG3  GLU  13           HG3      GLU  13   0.714  -7.018 -18.405
  259    H    ALA  14           H        ALA  14  -0.652  -4.705 -14.664
  260    HA   ALA  14           HA       ALA  14   0.783  -7.125 -13.698
  261    HB1  ALA  14           HB1      ALA  14   1.749  -4.906 -13.239
  262    HB2  ALA  14           HB2      ALA  14   0.257  -4.398 -12.454
  263    HB3  ALA  14           HB3      ALA  14   1.213  -5.738 -11.744
  264    H    LEU  15           H        LEU  15  -2.073  -5.131 -12.797
  265    HA   LEU  15           HA       LEU  15  -3.172  -6.555 -10.758
  266    HB2  LEU  15           HB2      LEU  15  -3.807  -4.384 -12.228
  267    HB3  LEU  15           HB3      LEU  15  -4.918  -5.521 -13.003
  268    HG   LEU  15           HG       LEU  15  -4.779  -4.737 -10.108
  269   HD11  LEU  15          HD11      LEU  15  -5.732  -3.016 -11.555
  270   HD12  LEU  15          HD12      LEU  15  -7.042  -3.772 -10.643
  271   HD13  LEU  15          HD13      LEU  15  -6.762  -4.209 -12.353
  272   HD21  LEU  15          HD21      LEU  15  -6.898  -6.062  -9.945
  273   HD22  LEU  15          HD22      LEU  15  -5.398  -6.946 -10.039
  274   HD23  LEU  15          HD23      LEU  15  -6.441  -6.806 -11.492
  275    H    TYR  16           H        TYR  16  -3.816  -7.097 -14.183
  276    HA   TYR  16           HA       TYR  16  -5.656  -9.293 -14.006
  277    HB2  TYR  16           HB2      TYR  16  -5.135  -7.561 -15.851
  278    HB3  TYR  16           HB3      TYR  16  -3.743  -8.536 -16.275
  279    HD1  TYR  16           HD1      TYR  16  -4.711 -11.293 -16.500
  280    HD2  TYR  16           HD2      TYR  16  -6.690  -7.568 -17.452
  281    HE1  TYR  16           HE1      TYR  16  -6.248 -12.514 -17.966
  282    HE2  TYR  16           HE2      TYR  16  -8.231  -8.808 -18.976
  283    HH   TYR  16           HH       TYR  16  -8.118 -12.379 -19.313
  284    H    LEU  17           H        LEU  17  -2.144  -9.199 -13.953
  285    HA   LEU  17           HA       LEU  17  -1.809 -12.066 -14.494
  286    HB2  LEU  17           HB2      LEU  17  -0.206 -10.296 -15.249
  287    HB3  LEU  17           HB3      LEU  17   0.056  -9.794 -13.609
  288    HG   LEU  17           HG       LEU  17   1.053 -11.870 -12.942
  289   HD11  LEU  17          HD11      LEU  17   1.759 -13.547 -14.667
  290   HD12  LEU  17          HD12      LEU  17   0.784 -12.689 -15.881
  291   HD13  LEU  17          HD13      LEU  17   0.005 -13.481 -14.488
  292   HD21  LEU  17          HD21      LEU  17   3.162 -11.637 -14.208
  293   HD22  LEU  17          HD22      LEU  17   2.468 -10.057 -13.806
  294   HD23  LEU  17          HD23      LEU  17   2.319 -10.697 -15.459
  295    H    VAL  18           H        VAL  18  -1.607  -9.737 -11.889
  296    HA   VAL  18           HA       VAL  18  -0.761 -11.383  -9.721
  297    HB   VAL  18           HB       VAL  18  -2.125  -8.644  -9.963
  298   HG11  VAL  18          HG11      VAL  18  -1.157 -10.207  -7.533
  299   HG12  VAL  18          HG12      VAL  18  -1.261  -8.450  -7.552
  300   HG13  VAL  18          HG13      VAL  18  -2.730  -9.410  -7.792
  301   HG21  VAL  18          HG21      VAL  18   0.665  -9.468  -9.101
  302   HG22  VAL  18          HG22      VAL  18   0.329  -9.135 -10.779
  303   HG23  VAL  18          HG23      VAL  18   0.144  -7.847  -9.602
  304    H    CYS  19           H        CYS  19  -3.909 -10.410 -10.925
  305    HA   CYS  19           HA       CYS  19  -5.448 -11.982  -8.949
  306    HB2  CYS  19           HB2      CYS  19  -6.163 -10.657 -11.579
  307    HB3  CYS  19           HB3      CYS  19  -7.344 -11.429 -10.525
  308    H    GLY  20           H        GLY  20  -4.067 -12.440 -12.140
  309    HA2  GLY  20           HA2      GLY  20  -4.006 -14.145 -13.623
  310    HA3  GLY  20           HA3      GLY  20  -4.270 -15.280 -12.271
  311    H    GLU  21           H        GLU  21  -6.177 -12.714 -13.843
  312    HA   GLU  21           HA       GLU  21  -8.283 -12.537 -14.600
  313    HB2  GLU  21           HB2      GLU  21  -7.102 -14.254 -16.152
  314    HB3  GLU  21           HB3      GLU  21  -8.231 -15.424 -15.468
  315    HG2  GLU  21           HG2      GLU  21 -10.130 -14.041 -16.293
  316    HG3  GLU  21           HG3      GLU  21  -9.000 -12.810 -16.848
  317    H    ARG  22           H        ARG  22  -7.976 -13.873 -11.732
  318    HA   ARG  22           HA       ARG  22 -10.517 -15.123 -11.250
  319    HB2  ARG  22           HB2      ARG  22  -9.970 -15.225  -9.090
  320    HB3  ARG  22           HB3      ARG  22  -8.375 -15.003  -9.775
  321    HG2  ARG  22           HG2      ARG  22  -8.579 -12.519  -9.195
  322    HG3  ARG  22           HG3      ARG  22 -10.134 -12.880  -8.436
  323    HD2  ARG  22           HD2      ARG  22  -8.592 -12.854  -6.690
  324    HD3  ARG  22           HD3      ARG  22  -8.965 -14.565  -6.993
  325    HE   ARG  22           HE       ARG  22  -6.751 -14.277  -8.516
  326   HH11  ARG  22          HH11      ARG  22  -4.572 -14.406  -7.923
  327   HH12  ARG  22          HH12      ARG  22  -4.139 -13.944  -6.279
  328   HH21  ARG  22          HH21      ARG  22  -7.179 -13.137  -5.177
  329   HH22  ARG  22          HH22      ARG  22  -5.447 -13.336  -4.891
  330    H    GLY  23           H        GLY  23  -9.750 -11.860 -11.782
  331    HA2  GLY  23           HA2      GLY  23 -11.385 -10.231 -12.352
  332    HA3  GLY  23           HA3      GLY  23 -12.527 -10.900 -11.189
  333    H    PHE  24           H        PHE  24 -11.878  -8.255 -11.439
  334    HA   PHE  24           HA       PHE  24 -10.878  -7.241  -8.900
  335    HB2  PHE  24           HB2      PHE  24  -9.049  -5.988 -10.003
  336    HB3  PHE  24           HB3      PHE  24  -8.768  -7.702  -9.937
  337    HD1  PHE  24           HD1      PHE  24  -9.008  -4.836 -12.115
  338    HD2  PHE  24           HD2      PHE  24  -8.865  -9.133 -11.986
  339    HE1  PHE  24           HE1      PHE  24  -8.238  -4.891 -14.490
  340    HE2  PHE  24           HE2      PHE  24  -8.249  -9.191 -14.389
  341    HZ   PHE  24           HZ       PHE  24  -7.944  -7.061 -15.636
  342    H    PHE  25           H        PHE  25 -10.781  -4.836  -8.936
  343    HA   PHE  25           HA       PHE  25 -12.336  -3.498 -11.105
  344    HB2  PHE  25           HB2      PHE  25 -12.740  -3.208  -8.098
  345    HB3  PHE  25           HB3      PHE  25 -13.233  -1.981  -9.264
  346    HD1  PHE  25           HD1      PHE  25 -14.958  -2.425 -10.970
  347    HD2  PHE  25           HD2      PHE  25 -14.055  -5.266  -7.851
  348    HE1  PHE  25           HE1      PHE  25 -17.120  -3.603 -11.404
  349    HE2  PHE  25           HE2      PHE  25 -16.213  -6.428  -8.280
  350    HZ   PHE  25           HZ       PHE  25 -17.739  -5.603 -10.068
  351    H    TYR  26           H        TYR  26 -10.852  -2.339 -12.078
  352    HA   TYR  26           HA       TYR  26  -8.438  -1.387 -10.754
  353    HB2  TYR  26           HB2      TYR  26  -7.835  -0.712 -13.104
  354    HB3  TYR  26           HB3      TYR  26  -8.151  -2.406 -12.835
  355    HD1  TYR  26           HD1      TYR  26  -9.518   0.689 -14.390
  356    HD2  TYR  26           HD2      TYR  26 -10.018  -3.555 -13.794
  357    HE1  TYR  26           HE1      TYR  26 -11.319   0.651 -16.126
  358    HE2  TYR  26           HE2      TYR  26 -11.860  -3.579 -15.464
  359    HH   TYR  26           HH       TYR  26 -13.081  -2.352 -16.979
  360    H    THR  27           H        THR  27 -11.373  -0.032 -10.577
  361    HA   THR  27           HA       THR  27 -11.364   2.552 -11.456
  362    HB   THR  27           HB       THR  27 -12.300   1.712  -8.688
  363    HG1  THR  27           HG1      THR  27 -14.192   1.097  -9.780
  364   HG21  THR  27          HG21      THR  27 -14.143   3.307  -9.138
  365   HG22  THR  27          HG22      THR  27 -13.386   3.746 -10.688
  366   HG23  THR  27          HG23      THR  27 -12.576   4.121  -9.145
  367    HA   PRO  28           HA       PRO  28  -7.832   4.273  -9.272
  368    HB2  PRO  28           HB2      PRO  28  -7.929   6.882 -10.070
  369    HB3  PRO  28           HB3      PRO  28  -7.503   5.548 -11.180
  370    HG2  PRO  28           HG2      PRO  28 -10.220   6.855 -10.832
  371    HG3  PRO  28           HG3      PRO  28  -9.333   6.527 -12.359
  372    HD2  PRO  28           HD2      PRO  28 -11.255   4.848 -11.433
  373    HD3  PRO  28           HD3      PRO  28  -9.782   4.208 -12.229
  374    H    LYS  29           H        LYS  29 -11.057   5.684  -8.806
  375    HA   LYS  29           HA       LYS  29 -10.352   7.057  -6.304
  376    HB2  LYS  29           HB2      LYS  29 -11.879   8.111  -7.833
  377    HB3  LYS  29           HB3      LYS  29 -12.936   6.703  -7.891
  378    HG2  LYS  29           HG2      LYS  29 -12.420   7.992  -5.213
  379    HG3  LYS  29           HG3      LYS  29 -13.452   8.842  -6.369
  380    HD2  LYS  29           HD2      LYS  29 -15.094   7.136  -6.404
  381    HD3  LYS  29           HD3      LYS  29 -13.993   5.920  -5.760
  382    HE2  LYS  29           HE2      LYS  29 -15.469   6.477  -3.995
  383    HE3  LYS  29           HE3      LYS  29 -13.872   7.127  -3.613
  384    HZ1  LYS  29           HZ1      LYS  29 -16.146   8.716  -4.707
  385    HZ2  LYS  29           HZ2      LYS  29 -14.679   9.324  -4.314
  386    HZ3  LYS  29           HZ3      LYS  29 -15.652   8.736  -3.150
  387    H    THR  30           H        THR  30 -10.767   6.356  -4.310
  388    HA   THR  30           HA       THR  30 -11.939   3.649  -3.847
  389    HB   THR  30           HB       THR  30 -10.098   3.355  -2.115
  390    HG1  THR  30           HG1      THR  30  -9.296   5.441  -2.037
  391   HG21  THR  30          HG21      THR  30  -9.189   3.529  -5.016
  392   HG22  THR  30          HG22      THR  30 -10.074   2.167  -4.295
  393   HG23  THR  30          HG23      THR  30  -8.445   2.561  -3.720
  394    H    ARG  31           H        ARG  31 -12.541   3.239  -1.610
  395    HA   ARG  31           HA       ARG  31 -13.132   5.580   0.098
  396    HB2  ARG  31           HB2      ARG  31 -15.470   5.054   0.301
  397    HB3  ARG  31           HB3      ARG  31 -15.085   5.378  -1.388
  398    HG2  ARG  31           HG2      ARG  31 -15.051   2.921  -1.847
  399    HG3  ARG  31           HG3      ARG  31 -15.491   2.600  -0.166
  400    HD2  ARG  31           HD2      ARG  31 -17.154   4.220  -2.128
  401    HD3  ARG  31           HD3      ARG  31 -17.402   2.510  -1.758
  402    HE   ARG  31           HE       ARG  31 -17.444   3.877   0.704
  403   HH11  ARG  31          HH11      ARG  31 -19.449   3.743  -2.157
  404   HH12  ARG  31          HH12      ARG  31 -20.892   4.168  -1.278
  405   HH21  ARG  31          HH21      ARG  31 -19.309   4.441   1.759
  406   HH22  ARG  31          HH22      ARG  31 -20.811   4.537   0.882
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -5.721   6.095  -3.467
    2    H2   GLY   1           H2       GLY   1  -6.219   4.627  -2.941
    3    H3   GLY   1           H3       GLY   1  -7.310   5.703  -3.522
    4    HA2  GLY   1           HA2      GLY   1  -6.907   3.997  -5.162
    5    HA3  GLY   1           HA3      GLY   1  -6.373   5.591  -5.733
    6    H    ILE   2           H        ILE   2  -5.455   2.587  -6.123
    7    HA   ILE   2           HA       ILE   2  -2.753   2.534  -4.978
    8    HB   ILE   2           HB       ILE   2  -3.980   0.501  -5.006
    9   HG12  ILE   2          HG12      ILE   2  -2.026   0.254  -7.308
   10   HG13  ILE   2          HG13      ILE   2  -1.506   0.451  -5.627
   11   HG21  ILE   2          HG21      ILE   2  -4.800  -0.526  -7.061
   12   HG22  ILE   2          HG22      ILE   2  -5.611   0.981  -6.782
   13   HG23  ILE   2          HG23      ILE   2  -4.331   0.935  -8.012
   14   HD11  ILE   2          HD11      ILE   2  -3.039  -1.925  -6.773
   15   HD12  ILE   2          HD12      ILE   2  -1.343  -1.855  -6.250
   16   HD13  ILE   2          HD13      ILE   2  -2.645  -1.694  -5.053
   17    H    VAL   3           H        VAL   3  -4.110   3.013  -8.251
   18    HA   VAL   3           HA       VAL   3  -2.055   3.448  -9.919
   19    HB   VAL   3           HB       VAL   3  -4.158   5.587  -9.438
   20   HG11  VAL   3          HG11      VAL   3  -2.514   6.087 -11.216
   21   HG12  VAL   3          HG12      VAL   3  -2.884   4.545 -12.011
   22   HG13  VAL   3          HG13      VAL   3  -4.119   5.821 -11.892
   23   HG21  VAL   3          HG21      VAL   3  -5.693   4.357 -10.945
   24   HG22  VAL   3          HG22      VAL   3  -4.627   2.949 -10.890
   25   HG23  VAL   3          HG23      VAL   3  -5.452   3.514  -9.420
   26    H    GLU   4           H        GLU   4  -2.846   5.687  -7.257
   27    HA   GLU   4           HA       GLU   4  -0.995   7.671  -8.097
   28    HB2  GLU   4           HB2      GLU   4  -2.849   8.048  -6.497
   29    HB3  GLU   4           HB3      GLU   4  -2.014   7.066  -5.284
   30    HG2  GLU   4           HG2      GLU   4  -0.154   8.667  -5.223
   31    HG3  GLU   4           HG3      GLU   4  -0.887   9.618  -6.517
   32    H    GLN   5           H        GLN   5  -0.572   4.746  -6.213
   33    HA   GLN   5           HA       GLN   5   2.217   5.262  -5.471
   34    HB2  GLN   5           HB2      GLN   5   0.239   3.785  -4.325
   35    HB3  GLN   5           HB3      GLN   5   0.997   2.522  -5.257
   36    HG2  GLN   5           HG2      GLN   5   2.340   4.319  -3.189
   37    HG3  GLN   5           HG3      GLN   5   1.891   2.630  -2.975
   38   HE21  GLN   5          HE21      GLN   5   2.987   1.035  -4.564
   39   HE22  GLN   5          HE22      GLN   5   4.629   1.401  -5.068
   40    H    CYS   6           H        CYS   6   0.474   2.985  -7.617
   41    HA   CYS   6           HA       CYS   6   2.877   1.763  -8.628
   42    HB2  CYS   6           HB2      CYS   6   0.073   1.540  -9.694
   43    HB3  CYS   6           HB3      CYS   6   1.446   0.517 -10.117
   44    H    CYS   7           H        CYS   7   1.002   4.493  -9.937
   45    HA   CYS   7           HA       CYS   7   2.439   4.216 -12.490
   46    HB2  CYS   7           HB2      CYS   7   0.094   4.908 -12.439
   47    HB3  CYS   7           HB3      CYS   7   0.443   6.283 -11.446
   48    H    THR   8           H        THR   8   2.735   6.165  -9.505
   49    HA   THR   8           HA       THR   8   4.827   7.880 -10.680
   50    HB   THR   8           HB       THR   8   4.960   8.985  -8.573
   51    HG1  THR   8           HG1      THR   8   2.895   7.568  -7.398
   52   HG21  THR   8          HG21      THR   8   3.119   9.598 -10.074
   53   HG22  THR   8          HG22      THR   8   2.680   9.827  -8.366
   54   HG23  THR   8          HG23      THR   8   2.048   8.430  -9.272
   55    H    SER   9           H        SER   9   4.628   5.135  -8.407
   56    HA   SER   9           HA       SER   9   7.552   4.764  -8.697
   57    HB2  SER   9           HB2      SER   9   6.140   4.382  -6.061
   58    HB3  SER   9           HB3      SER   9   7.859   4.254  -6.384
   59    HG   SER   9           HG       SER   9   7.287   6.263  -5.399
   60    H    ILE  10           H        ILE  10   7.912   2.470  -7.315
   61    HA   ILE  10           HA       ILE  10   6.739   0.650  -9.227
   62    HB   ILE  10           HB       ILE  10   8.354  -0.995  -8.244
   63   HG12  ILE  10          HG12      ILE  10   9.257   1.431  -6.599
   64   HG13  ILE  10          HG13      ILE  10   8.430   0.024  -5.945
   65   HG21  ILE  10          HG21      ILE  10   8.769   0.514 -10.209
   66   HG22  ILE  10          HG22      ILE  10   9.540   1.677  -9.119
   67   HG23  ILE  10          HG23      ILE  10  10.242   0.061  -9.346
   68   HD11  ILE  10          HD11      ILE  10  11.198   0.105  -7.180
   69   HD12  ILE  10          HD12      ILE  10  10.769  -0.115  -5.481
   70   HD13  ILE  10          HD13      ILE  10  10.369  -1.387  -6.659
   71    H    CYS  11           H        CYS  11   5.695  -1.215  -8.979
   72    HA   CYS  11           HA       CYS  11   4.558  -2.050  -6.360
   73    HB2  CYS  11           HB2      CYS  11   3.069  -1.433  -8.933
   74    HB3  CYS  11           HB3      CYS  11   2.407  -2.472  -7.677
   75    H    SER  12           H        SER  12   3.478  -4.206  -6.584
   76    HA   SER  12           HA       SER  12   4.267  -6.077  -8.700
   77    HB2  SER  12           HB2      SER  12   5.541  -7.537  -7.228
   78    HB3  SER  12           HB3      SER  12   6.292  -5.932  -7.199
   79    HG   SER  12           HG       SER  12   6.096  -6.619  -5.085
   80    H    LEU  13           H        LEU  13   3.636  -8.479  -7.404
   81    HA   LEU  13           HA       LEU  13   0.806  -8.165  -6.869
   82    HB2  LEU  13           HB2      LEU  13   0.843 -10.603  -6.293
   83    HB3  LEU  13           HB3      LEU  13   1.346 -10.201  -7.915
   84    HG   LEU  13           HG       LEU  13   3.685 -10.578  -7.365
   85   HD11  LEU  13          HD11      LEU  13   4.208 -11.820  -5.239
   86   HD12  LEU  13          HD12      LEU  13   2.616 -11.341  -4.618
   87   HD13  LEU  13          HD13      LEU  13   3.857 -10.117  -4.999
   88   HD21  LEU  13          HD21      LEU  13   2.256 -12.387  -8.242
   89   HD22  LEU  13          HD22      LEU  13   1.814 -12.854  -6.583
   90   HD23  LEU  13          HD23      LEU  13   3.486 -13.030  -7.145
   91    H    TYR  14           H        TYR  14   3.463  -7.594  -4.884
   92    HA   TYR  14           HA       TYR  14   2.153  -8.098  -2.351
   93    HB2  TYR  14           HB2      TYR  14   4.733  -7.524  -3.171
   94    HB3  TYR  14           HB3      TYR  14   4.241  -5.993  -2.499
   95    HD1  TYR  14           HD1      TYR  14   4.699  -9.611  -1.920
   96    HD2  TYR  14           HD2      TYR  14   3.947  -5.800  -0.043
   97    HE1  TYR  14           HE1      TYR  14   5.174 -10.619   0.327
   98    HE2  TYR  14           HE2      TYR  14   4.429  -6.797   2.182
   99    HH   TYR  14           HH       TYR  14   5.002  -8.688   3.345
  100    H    GLN  15           H        GLN  15   1.717  -5.679  -4.817
  101    HA   GLN  15           HA       GLN  15   0.082  -4.024  -2.909
  102    HB2  GLN  15           HB2      GLN  15   1.377  -3.074  -5.471
  103    HB3  GLN  15           HB3      GLN  15   0.407  -2.147  -4.314
  104    HG2  GLN  15           HG2      GLN  15   2.315  -3.208  -2.639
  105    HG3  GLN  15           HG3      GLN  15   3.241  -3.121  -4.123
  106   HE21  GLN  15          HE21      GLN  15   4.271  -1.675  -2.154
  107   HE22  GLN  15          HE22      GLN  15   3.854   0.024  -2.293
  108    H    LEU  16           H        LEU  16   0.231  -5.193  -6.309
  109    HA   LEU  16           HA       LEU  16  -2.359  -4.322  -7.137
  110    HB2  LEU  16           HB2      LEU  16  -0.418  -6.443  -8.054
  111    HB3  LEU  16           HB3      LEU  16  -1.992  -6.198  -8.840
  112    HG   LEU  16           HG       LEU  16  -0.027  -5.218  -9.963
  113   HD11  LEU  16          HD11      LEU  16  -1.965  -3.037  -9.285
  114   HD12  LEU  16          HD12      LEU  16  -2.579  -4.493 -10.073
  115   HD13  LEU  16          HD13      LEU  16  -1.346  -3.549 -10.878
  116   HD21  LEU  16          HD21      LEU  16  -0.236  -3.126  -7.788
  117   HD22  LEU  16          HD22      LEU  16   0.652  -2.942  -9.319
  118   HD23  LEU  16          HD23      LEU  16   1.162  -4.170  -8.155
  119    H    GLU  17           H        GLU  17  -1.528  -7.257  -5.289
  120    HA   GLU  17           HA       GLU  17  -3.949  -8.620  -6.093
  121    HB2  GLU  17           HB2      GLU  17  -1.685  -9.573  -5.187
  122    HB3  GLU  17           HB3      GLU  17  -2.479  -9.393  -3.598
  123    HG2  GLU  17           HG2      GLU  17  -4.434 -10.710  -4.685
  124    HG3  GLU  17           HG3      GLU  17  -3.352 -10.970  -6.061
  125    H    ASN  18           H        ASN  18  -3.541  -5.992  -4.196
  126    HA   ASN  18           HA       ASN  18  -5.842  -6.341  -2.377
  127    HB2  ASN  18           HB2      ASN  18  -4.218  -3.904  -3.235
  128    HB3  ASN  18           HB3      ASN  18  -5.582  -3.824  -2.152
  129   HD21  ASN  18          HD21      ASN  18  -2.239  -4.631  -2.426
  130   HD22  ASN  18          HD22      ASN  18  -1.982  -5.064  -0.731
  131    H    TYR  19           H        TYR  19  -5.473  -5.661  -5.820
  132    HA   TYR  19           HA       TYR  19  -8.002  -4.105  -5.954
  133    HB2  TYR  19           HB2      TYR  19  -6.068  -5.311  -7.931
  134    HB3  TYR  19           HB3      TYR  19  -7.637  -4.740  -8.433
  135    HD1  TYR  19           HD1      TYR  19  -8.272  -2.288  -7.721
  136    HD2  TYR  19           HD2      TYR  19  -4.337  -3.894  -8.200
  137    HE1  TYR  19           HE1      TYR  19  -7.572  -0.199  -8.961
  138    HE2  TYR  19           HE2      TYR  19  -3.722  -2.047  -9.686
  139    HH   TYR  19           HH       TYR  19  -4.443  -0.081 -10.699
  140    H    CYS  20           H        CYS  20  -6.894  -7.462  -6.397
  141    HA   CYS  20           HA       CYS  20  -8.897  -8.380  -7.957
  142    HB2  CYS  20           HB2      CYS  20  -7.799 -10.059  -5.711
  143    HB3  CYS  20           HB3      CYS  20  -8.383 -10.585  -7.320
  144    H    ASN  21           H        ASN  21 -10.824  -9.621  -7.652
  145    HA   ASN  21           HA       ASN  21 -12.403  -8.537  -5.462
  146    HB2  ASN  21           HB2      ASN  21 -13.143 -10.231  -7.896
  147    HB3  ASN  21           HB3      ASN  21 -14.320  -9.669  -6.713
  148   HD21  ASN  21          HD21      ASN  21 -14.806  -8.965  -9.257
  149   HD22  ASN  21          HD22      ASN  21 -14.435  -7.262  -9.487
  150    H    SER  22           H        SER  22 -13.414  -9.640  -3.842
  151    HA   SER  22           HA       SER  22 -13.286 -12.565  -3.579
  152    HB2  SER  22           HB2      SER  22 -12.321 -12.487  -1.316
  153    HB3  SER  22           HB3      SER  22 -11.186 -11.979  -2.568
  154    HG   SER  22           HG       SER  22 -11.618  -9.793  -2.017
  155    H1   PHE   1           H1       PHE   1   8.138 -12.649 -12.366
  156    H2   PHE   1           H2       PHE   1   6.641 -13.138 -11.897
  157    H3   PHE   1           H3       PHE   1   7.775 -12.738 -10.774
  158    HA   PHE   1           HA       PHE   1   6.572 -10.874 -12.709
  159    HB2  PHE   1           HB2      PHE   1   5.385  -9.858 -10.876
  160    HB3  PHE   1           HB3      PHE   1   4.973 -11.548 -10.923
  161    HD1  PHE   1           HD1      PHE   1   6.741  -8.891  -9.034
  162    HD2  PHE   1           HD2      PHE   1   5.651 -13.074  -9.090
  163    HE1  PHE   1           HE1      PHE   1   7.386  -9.102  -6.640
  164    HE2  PHE   1           HE2      PHE   1   6.310 -13.268  -6.705
  165    HZ   PHE   1           HZ       PHE   1   7.161 -11.280  -5.476
  166    H    VAL   2           H        VAL   2   6.986  -8.551 -12.043
  167    HA   VAL   2           HA       VAL   2   9.748  -8.134 -10.977
  168    HB   VAL   2           HB       VAL   2  10.066  -6.407 -12.758
  169   HG11  VAL   2          HG11      VAL   2  10.810  -7.971 -14.466
  170   HG12  VAL   2          HG12      VAL   2  11.157  -8.614 -12.854
  171   HG13  VAL   2          HG13      VAL   2   9.785  -9.251 -13.786
  172   HG21  VAL   2          HG21      VAL   2   8.832  -6.531 -14.857
  173   HG22  VAL   2          HG22      VAL   2   7.774  -7.801 -14.220
  174   HG23  VAL   2          HG23      VAL   2   7.708  -6.157 -13.544
  175    H    LYS   3           H        LYS   3  10.106  -6.244  -9.853
  176    HA   LYS   3           HA       LYS   3   7.803  -4.627  -9.023
  177    HB2  LYS   3           HB2      LYS   3  10.766  -4.190  -8.498
  178    HB3  LYS   3           HB3      LYS   3   9.416  -3.328  -7.741
  179    HG2  LYS   3           HG2      LYS   3   8.612  -5.439  -6.725
  180    HG3  LYS   3           HG3      LYS   3   9.931  -6.331  -7.504
  181    HD2  LYS   3           HD2      LYS   3  11.571  -4.881  -6.260
  182    HD3  LYS   3           HD3      LYS   3  10.201  -4.150  -5.391
  183    HE2  LYS   3           HE2      LYS   3   9.525  -6.416  -4.595
  184    HE3  LYS   3           HE3      LYS   3  10.874  -7.126  -5.494
  185    HZ1  LYS   3           HZ1      LYS   3  11.438  -6.815  -3.143
  186    HZ2  LYS   3           HZ2      LYS   3  11.138  -5.214  -3.231
  187    HZ3  LYS   3           HZ3      LYS   3  12.395  -5.862  -4.051
  188    H    GLN   4           H        GLN   4   6.995  -3.040 -10.246
  189    HA   GLN   4           HA       GLN   4   8.703  -1.450 -12.071
  190    HB2  GLN   4           HB2      GLN   4   7.944  -3.777 -13.022
  191    HB3  GLN   4           HB3      GLN   4   6.362  -3.028 -13.190
  192    HG2  GLN   4           HG2      GLN   4   7.220  -1.480 -14.842
  193    HG3  GLN   4           HG3      GLN   4   8.898  -1.808 -14.376
  194   HE21  GLN   4          HE21      GLN   4   6.059  -3.856 -15.396
  195   HE22  GLN   4          HE22      GLN   4   7.032  -4.813 -16.503
  196    H    HIS   5           H        HIS   5   7.381   0.171 -13.331
  197    HA   HIS   5           HA       HIS   5   5.211   1.288 -11.629
  198    HB2  HIS   5           HB2      HIS   5   6.011   3.503 -12.201
  199    HB3  HIS   5           HB3      HIS   5   7.066   2.540 -11.170
  200    HD1  HIS   5           HD1      HIS   5   8.783   4.621 -12.029
  201    HD2  HIS   5           HD2      HIS   5   7.798   1.544 -14.729
  202    HE1  HIS   5           HE1      HIS   5  10.566   4.665 -13.851
  203    H    LEU   6           H        LEU   6   3.362   1.607 -12.490
  204    HA   LEU   6           HA       LEU   6   2.954   1.641 -15.446
  205    HB2  LEU   6           HB2      LEU   6   1.420  -0.044 -13.435
  206    HB3  LEU   6           HB3      LEU   6   1.375  -0.130 -15.166
  207    HG   LEU   6           HG       LEU   6   2.404  -1.986 -14.655
  208   HD11  LEU   6          HD11      LEU   6   3.942  -0.513 -16.172
  209   HD12  LEU   6          HD12      LEU   6   4.369  -2.141 -15.644
  210   HD13  LEU   6          HD13      LEU   6   5.069  -0.760 -14.818
  211   HD21  LEU   6          HD21      LEU   6   3.944  -0.751 -12.413
  212   HD22  LEU   6          HD22      LEU   6   4.070  -2.434 -12.964
  213   HD23  LEU   6          HD23      LEU   6   2.542  -1.821 -12.333
  214    H    CYS   7           H        CYS   7   1.165   2.646 -16.175
  215    HA   CYS   7           HA       CYS   7  -0.809   3.826 -14.261
  216    HB2  CYS   7           HB2      CYS   7   0.855   5.173 -16.193
  217    HB3  CYS   7           HB3      CYS   7  -0.787   5.214 -16.787
  218    H    GLY   8           H        GLY   8  -2.945   3.343 -14.705
  219    HA2  GLY   8           HA2      GLY   8  -4.834   2.564 -15.764
  220    HA3  GLY   8           HA3      GLY   8  -4.125   3.235 -17.230
  221    H    SER   9           H        SER   9  -3.743   1.829 -18.868
  222    HA   SER   9           HA       SER   9  -4.529  -0.885 -18.768
  223    HB2  SER   9           HB2      SER   9  -2.649   0.496 -20.752
  224    HB3  SER   9           HB3      SER   9  -3.569  -1.004 -21.036
  225    HG   SER   9           HG       SER   9  -4.635   0.829 -21.923
  226    H    HIS  10           H        HIS  10  -1.203   0.472 -18.428
  227    HA   HIS  10           HA       HIS  10  -0.009  -2.219 -18.355
  228    HB2  HIS  10           HB2      HIS  10   1.070   0.501 -17.562
  229    HB3  HIS  10           HB3      HIS  10   1.994  -0.995 -17.440
  230    HD1  HIS  10           HD1      HIS  10   2.073  -2.381 -20.056
  231    HD2  HIS  10           HD2      HIS  10   1.049   1.701 -19.807
  232    HE1  HIS  10           HE1      HIS  10   2.386  -1.422 -22.399
  233    H    LEU  11           H        LEU  11  -1.545  -0.069 -16.041
  234    HA   LEU  11           HA       LEU  11  -0.393  -1.384 -13.701
  235    HB2  LEU  11           HB2      LEU  11  -1.563   1.031 -14.073
  236    HB3  LEU  11           HB3      LEU  11  -2.980   0.118 -13.573
  237    HG   LEU  11           HG       LEU  11  -0.388   0.634 -12.040
  238   HD11  LEU  11          HD11      LEU  11  -1.967   2.418 -11.886
  239   HD12  LEU  11          HD12      LEU  11  -2.149   1.464 -10.381
  240   HD13  LEU  11          HD13      LEU  11  -3.332   1.301 -11.689
  241   HD21  LEU  11          HD21      LEU  11  -2.566  -1.338 -11.416
  242   HD22  LEU  11          HD22      LEU  11  -1.498  -0.658 -10.154
  243   HD23  LEU  11          HD23      LEU  11  -0.798  -1.578 -11.485
  244    H    VAL  12           H        VAL  12  -3.453  -1.567 -15.557
  245    HA   VAL  12           HA       VAL  12  -4.471  -3.940 -14.306
  246    HB   VAL  12           HB       VAL  12  -4.860  -2.868 -17.126
  247   HG11  VAL  12          HG11      VAL  12  -5.321  -5.219 -17.323
  248   HG12  VAL  12          HG12      VAL  12  -6.200  -5.233 -15.781
  249   HG13  VAL  12          HG13      VAL  12  -6.873  -4.385 -17.196
  250   HG21  VAL  12          HG21      VAL  12  -5.798  -1.490 -15.287
  251   HG22  VAL  12          HG22      VAL  12  -7.074  -2.223 -16.262
  252   HG23  VAL  12          HG23      VAL  12  -6.660  -2.913 -14.676
  253    H    GLU  13           H        GLU  13  -1.924  -3.522 -16.836
  254    HA   GLU  13           HA       GLU  13  -1.805  -6.294 -17.547
  255    HB2  GLU  13           HB2      GLU  13  -0.826  -4.344 -18.798
  256    HB3  GLU  13           HB3      GLU  13   0.475  -4.295 -17.601
  257    HG2  GLU  13           HG2      GLU  13   1.256  -6.485 -18.261
  258    HG3  GLU  13           HG3      GLU  13  -0.148  -6.704 -19.315
  259    H    ALA  14           H        ALA  14  -0.623  -4.605 -14.694
  260    HA   ALA  14           HA       ALA  14   0.857  -6.995 -13.710
  261    HB1  ALA  14           HB1      ALA  14   1.736  -4.735 -13.243
  262    HB2  ALA  14           HB2      ALA  14   0.220  -4.281 -12.483
  263    HB3  ALA  14           HB3      ALA  14   1.212  -5.589 -11.752
  264    H    LEU  15           H        LEU  15  -2.058  -5.076 -12.809
  265    HA   LEU  15           HA       LEU  15  -3.146  -6.550 -10.809
  266    HB2  LEU  15           HB2      LEU  15  -3.825  -4.398 -12.279
  267    HB3  LEU  15           HB3      LEU  15  -4.904  -5.556 -13.054
  268    HG   LEU  15           HG       LEU  15  -4.778  -4.738 -10.167
  269   HD11  LEU  15          HD11      LEU  15  -5.789  -3.082 -11.631
  270   HD12  LEU  15          HD12      LEU  15  -7.077  -3.865 -10.710
  271   HD13  LEU  15          HD13      LEU  15  -6.790  -4.320 -12.399
  272   HD21  LEU  15          HD21      LEU  15  -6.379  -6.884 -11.509
  273   HD22  LEU  15          HD22      LEU  15  -6.841  -6.142  -9.959
  274   HD23  LEU  15          HD23      LEU  15  -5.308  -6.970 -10.081
  275    H    TYR  16           H        TYR  16  -3.683  -7.102 -14.243
  276    HA   TYR  16           HA       TYR  16  -5.499  -9.319 -14.137
  277    HB2  TYR  16           HB2      TYR  16  -5.002  -7.583 -15.946
  278    HB3  TYR  16           HB3      TYR  16  -3.548  -8.473 -16.342
  279    HD1  TYR  16           HD1      TYR  16  -4.267 -11.231 -16.719
  280    HD2  TYR  16           HD2      TYR  16  -6.568  -7.664 -17.538
  281    HE1  TYR  16           HE1      TYR  16  -5.627 -12.497 -18.332
  282    HE2  TYR  16           HE2      TYR  16  -7.940  -8.952 -19.183
  283    HH   TYR  16           HH       TYR  16  -8.318 -10.979 -20.179
  284    H    LEU  17           H        LEU  17  -2.001  -9.154 -13.941
  285    HA   LEU  17           HA       LEU  17  -1.556 -12.019 -14.480
  286    HB2  LEU  17           HB2      LEU  17  -0.002 -10.194 -15.212
  287    HB3  LEU  17           HB3      LEU  17   0.228  -9.698 -13.573
  288    HG   LEU  17           HG       LEU  17   1.238 -11.750 -12.885
  289   HD11  LEU  17          HD11      LEU  17   1.027 -12.579 -15.823
  290   HD12  LEU  17          HD12      LEU  17   0.267 -13.399 -14.441
  291   HD13  LEU  17          HD13      LEU  17   2.024 -13.409 -14.604
  292   HD21  LEU  17          HD21      LEU  17   2.645  -9.904 -13.710
  293   HD22  LEU  17          HD22      LEU  17   2.543 -10.547 -15.362
  294   HD23  LEU  17          HD23      LEU  17   3.379 -11.474 -14.097
  295    H    VAL  18           H        VAL  18  -1.427  -9.658 -11.886
  296    HA   VAL  18           HA       VAL  18  -0.571 -11.248  -9.696
  297    HB   VAL  18           HB       VAL  18  -2.185  -8.661  -9.924
  298   HG11  VAL  18          HG11      VAL  18  -1.266  -8.389  -7.525
  299   HG12  VAL  18          HG12      VAL  18  -2.671  -9.419  -7.776
  300   HG13  VAL  18          HG13      VAL  18  -1.064 -10.136  -7.538
  301   HG21  VAL  18          HG21      VAL  18  -0.239  -7.542 -10.122
  302   HG22  VAL  18          HG22      VAL  18   0.628  -8.533  -8.983
  303   HG23  VAL  18          HG23      VAL  18   0.473  -9.067 -10.642
  304    H    CYS  19           H        CYS  19  -3.773 -10.389 -10.929
  305    HA   CYS  19           HA       CYS  19  -5.177 -12.028  -8.898
  306    HB2  CYS  19           HB2      CYS  19  -6.196 -10.542 -11.326
  307    HB3  CYS  19           HB3      CYS  19  -7.208 -11.347 -10.111
  308    H    GLY  20           H        GLY  20  -3.964 -12.402 -12.165
  309    HA2  GLY  20           HA2      GLY  20  -3.996 -14.139 -13.653
  310    HA3  GLY  20           HA3      GLY  20  -3.962 -15.177 -12.218
  311    H    GLU  21           H        GLU  21  -6.392 -13.077 -13.773
  312    HA   GLU  21           HA       GLU  21  -8.528 -13.295 -14.373
  313    HB2  GLU  21           HB2      GLU  21  -7.328 -15.181 -15.734
  314    HB3  GLU  21           HB3      GLU  21  -8.310 -16.269 -14.756
  315    HG2  GLU  21           HG2      GLU  21 -10.362 -15.046 -15.571
  316    HG3  GLU  21           HG3      GLU  21  -9.319 -14.005 -16.539
  317    H    ARG  22           H        ARG  22  -7.758 -14.161 -11.374
  318    HA   ARG  22           HA       ARG  22 -10.258 -15.322 -10.428
  319    HB2  ARG  22           HB2      ARG  22  -8.132 -13.658  -9.024
  320    HB3  ARG  22           HB3      ARG  22  -9.540 -14.319  -8.204
  321    HG2  ARG  22           HG2      ARG  22  -8.921 -16.601  -8.753
  322    HG3  ARG  22           HG3      ARG  22  -7.519 -16.064  -9.682
  323    HD2  ARG  22           HD2      ARG  22  -7.936 -15.486  -6.715
  324    HD3  ARG  22           HD3      ARG  22  -7.028 -16.879  -7.329
  325    HE   ARG  22           HE       ARG  22  -5.826 -14.796  -8.622
  326   HH11  ARG  22          HH11      ARG  22  -6.367 -15.292  -5.149
  327   HH12  ARG  22          HH12      ARG  22  -4.934 -14.330  -4.773
  328   HH21  ARG  22          HH21      ARG  22  -3.925 -13.661  -7.873
  329   HH22  ARG  22          HH22      ARG  22  -3.725 -13.571  -6.133
  330    H    GLY  23           H        GLY  23  -9.554 -12.209 -11.603
  331    HA2  GLY  23           HA2      GLY  23 -11.181 -10.634 -12.241
  332    HA3  GLY  23           HA3      GLY  23 -12.302 -11.242 -11.036
  333    H    PHE  24           H        PHE  24 -11.768  -8.581 -11.469
  334    HA   PHE  24           HA       PHE  24 -10.814  -7.354  -8.997
  335    HB2  PHE  24           HB2      PHE  24  -8.974  -6.183 -10.094
  336    HB3  PHE  24           HB3      PHE  24  -8.684  -7.901  -9.987
  337    HD1  PHE  24           HD1      PHE  24  -8.721  -9.373 -11.983
  338    HD2  PHE  24           HD2      PHE  24  -8.987  -5.080 -12.246
  339    HE1  PHE  24           HE1      PHE  24  -8.112  -9.488 -14.379
  340    HE2  PHE  24           HE2      PHE  24  -8.184  -5.183 -14.613
  341    HZ   PHE  24           HZ       PHE  24  -7.827  -7.389 -15.684
  342    H    PHE  25           H        PHE  25 -10.642  -4.972  -9.302
  343    HA   PHE  25           HA       PHE  25 -12.134  -3.765 -11.562
  344    HB2  PHE  25           HB2      PHE  25 -12.540  -3.175  -8.601
  345    HB3  PHE  25           HB3      PHE  25 -12.898  -1.999  -9.858
  346    HD1  PHE  25           HD1      PHE  25 -14.185  -4.850  -8.059
  347    HD2  PHE  25           HD2      PHE  25 -14.529  -2.585 -11.705
  348    HE1  PHE  25           HE1      PHE  25 -16.443  -5.819  -8.441
  349    HE2  PHE  25           HE2      PHE  25 -16.793  -3.552 -12.093
  350    HZ   PHE  25           HZ       PHE  25 -17.747  -5.170 -10.463
  351    H    TYR  26           H        TYR  26 -11.306  -1.674 -12.117
  352    HA   TYR  26           HA       TYR  26  -8.648  -0.970 -10.957
  353    HB2  TYR  26           HB2      TYR  26  -7.756  -0.790 -13.258
  354    HB3  TYR  26           HB3      TYR  26  -8.191  -2.411 -12.771
  355    HD1  TYR  26           HD1      TYR  26  -9.103   0.392 -15.017
  356    HD2  TYR  26           HD2      TYR  26  -9.988  -3.644 -13.806
  357    HE1  TYR  26           HE1      TYR  26 -10.517   0.081 -17.058
  358    HE2  TYR  26           HE2      TYR  26 -11.414  -3.953 -15.823
  359    HH   TYR  26           HH       TYR  26 -12.229  -2.997 -17.736
  360    H    THR  27           H        THR  27 -11.428   0.299 -10.890
  361    HA   THR  27           HA       THR  27 -11.574   2.620 -12.379
  362    HB   THR  27           HB       THR  27 -12.443   2.391  -9.480
  363    HG1  THR  27           HG1      THR  27 -14.311   1.460 -10.338
  364   HG21  THR  27          HG21      THR  27 -14.365   3.770 -10.273
  365   HG22  THR  27          HG22      THR  27 -13.619   3.870 -11.886
  366   HG23  THR  27          HG23      THR  27 -12.824   4.619 -10.485
  367    HA   PRO  28           HA       PRO  28  -8.147   4.970 -10.538
  368    HB2  PRO  28           HB2      PRO  28  -8.107   7.116 -12.192
  369    HB3  PRO  28           HB3      PRO  28  -7.684   5.483 -12.763
  370    HG2  PRO  28           HG2      PRO  28 -10.377   6.890 -12.980
  371    HG3  PRO  28           HG3      PRO  28  -9.435   6.111 -14.295
  372    HD2  PRO  28           HD2      PRO  28 -11.437   4.820 -12.966
  373    HD3  PRO  28           HD3      PRO  28  -9.982   3.952 -13.536
  374    H    LYS  29           H        LYS  29  -7.834   7.412  -9.886
  375    HA   LYS  29           HA       LYS  29  -9.587   8.150  -7.795
  376    HB2  LYS  29           HB2      LYS  29  -7.249   8.859  -7.980
  377    HB3  LYS  29           HB3      LYS  29  -7.628   9.840  -9.405
  378    HG2  LYS  29           HG2      LYS  29  -9.143  11.250  -8.025
  379    HG3  LYS  29           HG3      LYS  29  -8.736  10.294  -6.590
  380    HD2  LYS  29           HD2      LYS  29  -6.793  11.953  -8.256
  381    HD3  LYS  29           HD3      LYS  29  -7.547  12.468  -6.740
  382    HE2  LYS  29           HE2      LYS  29  -6.489  10.556  -5.557
  383    HE3  LYS  29           HE3      LYS  29  -5.685  10.072  -7.057
  384    HZ1  LYS  29           HZ1      LYS  29  -4.553  12.245  -7.049
  385    HZ2  LYS  29           HZ2      LYS  29  -4.199  11.391  -5.701
  386    HZ3  LYS  29           HZ3      LYS  29  -5.256  12.645  -5.625
  387    H    THR  30           H        THR  30 -11.465   9.175  -7.684
  388    HA   THR  30           HA       THR  30 -12.785  10.256 -10.086
  389    HB   THR  30           HB       THR  30 -14.766  10.373  -8.546
  390    HG1  THR  30           HG1      THR  30 -14.554   9.318  -6.563
  391   HG21  THR  30          HG21      THR  30 -15.120   7.951  -8.442
  392   HG22  THR  30          HG22      THR  30 -13.384   7.645  -8.674
  393   HG23  THR  30          HG23      THR  30 -14.341   8.389  -9.973
  394    H    ARG  31           H        ARG  31 -11.159  11.517  -7.325
  395    HA   ARG  31           HA       ARG  31 -10.868  13.552  -6.380
  396    HB2  ARG  31           HB2      ARG  31  -9.700  13.656  -8.597
  397    HB3  ARG  31           HB3      ARG  31 -11.074  14.569  -9.233
  398    HG2  ARG  31           HG2      ARG  31 -10.662  16.344  -7.509
  399    HG3  ARG  31           HG3      ARG  31  -9.350  15.370  -6.838
  400    HD2  ARG  31           HD2      ARG  31  -8.403  17.110  -8.240
  401    HD3  ARG  31           HD3      ARG  31  -8.119  15.538  -8.980
  402    HE   ARG  31           HE       ARG  31  -9.498  16.104 -10.770
  403   HH11  ARG  31          HH11      ARG  31  -9.894  18.605  -8.337
  404   HH12  ARG  31          HH12      ARG  31 -10.774  19.639  -9.429
  405   HH21  ARG  31          HH21      ARG  31 -10.610  17.481 -12.093
  406   HH22  ARG  31          HH22      ARG  31 -11.150  19.021 -11.490
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -5.882   4.992  -2.877
    2    H2   GLY   1           H2       GLY   1  -6.960   6.010  -3.570
    3    H3   GLY   1           H3       GLY   1  -5.356   6.331  -3.661
    4    HA2  GLY   1           HA2      GLY   1  -6.716   4.039  -4.924
    5    HA3  GLY   1           HA3      GLY   1  -6.161   5.491  -5.772
    6    H    ILE   2           H        ILE   2  -5.357   2.515  -5.936
    7    HA   ILE   2           HA       ILE   2  -2.642   2.376  -4.850
    8    HB   ILE   2           HB       ILE   2  -3.876   0.371  -4.873
    9   HG12  ILE   2          HG12      ILE   2  -2.079   0.123  -7.304
   10   HG13  ILE   2          HG13      ILE   2  -1.436   0.292  -5.653
   11   HG21  ILE   2          HG21      ILE   2  -5.607   0.880  -6.530
   12   HG22  ILE   2          HG22      ILE   2  -4.399   0.915  -7.836
   13   HG23  ILE   2          HG23      ILE   2  -4.803  -0.603  -6.950
   14   HD11  ILE   2          HD11      ILE   2  -1.360  -1.988  -6.330
   15   HD12  ILE   2          HD12      ILE   2  -2.563  -1.825  -5.029
   16   HD13  ILE   2          HD13      ILE   2  -3.089  -2.031  -6.717
   17    H    VAL   3           H        VAL   3  -3.985   2.898  -8.117
   18    HA   VAL   3           HA       VAL   3  -1.947   3.329  -9.792
   19    HB   VAL   3           HB       VAL   3  -4.025   5.483  -9.232
   20   HG11  VAL   3          HG11      VAL   3  -2.762   4.510 -11.828
   21   HG12  VAL   3          HG12      VAL   3  -3.992   5.772 -11.673
   22   HG13  VAL   3          HG13      VAL   3  -2.388   6.036 -10.995
   23   HG21  VAL   3          HG21      VAL   3  -5.319   3.420  -9.256
   24   HG22  VAL   3          HG22      VAL   3  -5.557   4.282 -10.765
   25   HG23  VAL   3          HG23      VAL   3  -4.486   2.875 -10.728
   26    H    GLU   4           H        GLU   4  -2.637   5.506  -7.035
   27    HA   GLU   4           HA       GLU   4  -0.734   7.458  -7.891
   28    HB2  GLU   4           HB2      GLU   4  -2.624   7.974  -6.414
   29    HB3  GLU   4           HB3      GLU   4  -1.921   6.983  -5.124
   30    HG2  GLU   4           HG2      GLU   4  -0.026   8.449  -4.919
   31    HG3  GLU   4           HG3      GLU   4  -0.480   9.347  -6.371
   32    H    GLN   5           H        GLN   5  -0.373   4.487  -6.141
   33    HA   GLN   5           HA       GLN   5   2.437   4.960  -5.375
   34    HB2  GLN   5           HB2      GLN   5   0.708   3.466  -4.138
   35    HB3  GLN   5           HB3      GLN   5   0.912   2.320  -5.426
   36    HG2  GLN   5           HG2      GLN   5   2.352   1.640  -3.645
   37    HG3  GLN   5           HG3      GLN   5   3.366   2.191  -4.976
   38   HE21  GLN   5          HE21      GLN   5   1.984   3.222  -1.793
   39   HE22  GLN   5          HE22      GLN   5   3.286   4.353  -1.453
   40    H    CYS   6           H        CYS   6   0.605   2.891  -7.593
   41    HA   CYS   6           HA       CYS   6   2.900   1.642  -8.698
   42    HB2  CYS   6           HB2      CYS   6   0.100   1.669  -9.781
   43    HB3  CYS   6           HB3      CYS   6   1.401   0.554 -10.226
   44    H    CYS   7           H        CYS   7   1.071   4.435 -10.000
   45    HA   CYS   7           HA       CYS   7   2.330   4.168 -12.615
   46    HB2  CYS   7           HB2      CYS   7   0.032   4.970 -12.311
   47    HB3  CYS   7           HB3      CYS   7   0.556   6.268 -11.299
   48    H    THR   8           H        THR   8   2.792   6.374  -9.838
   49    HA   THR   8           HA       THR   8   5.073   7.685 -11.225
   50    HB   THR   8           HB       THR   8   3.458   9.164 -10.486
   51    HG1  THR   8           HG1      THR   8   4.654  10.472  -9.116
   52   HG21  THR   8          HG21      THR   8   3.651   7.963  -7.721
   53   HG22  THR   8          HG22      THR   8   2.248   7.964  -8.829
   54   HG23  THR   8          HG23      THR   8   2.805   9.476  -8.119
   55    H    SER   9           H        SER   9   4.458   5.579  -8.460
   56    HA   SER   9           HA       SER   9   7.435   5.339  -8.093
   57    HB2  SER   9           HB2      SER   9   5.452   4.366  -6.043
   58    HB3  SER   9           HB3      SER   9   7.196   4.524  -5.923
   59    HG   SER   9           HG       SER   9   5.997   6.228  -4.882
   60    H    ILE  10           H        ILE  10   6.585   2.604  -6.750
   61    HA   ILE  10           HA       ILE  10   6.319   1.059  -9.278
   62    HB   ILE  10           HB       ILE  10   8.152  -0.440  -8.476
   63   HG12  ILE  10          HG12      ILE  10   8.788   1.844  -6.546
   64   HG13  ILE  10          HG13      ILE  10   8.185   0.251  -6.092
   65   HG21  ILE  10          HG21      ILE  10   8.401   1.309 -10.264
   66   HG22  ILE  10          HG22      ILE  10   9.092   2.395  -9.045
   67   HG23  ILE  10          HG23      ILE  10   9.914   0.880  -9.462
   68   HD11  ILE  10          HD11      ILE  10  10.885   0.897  -7.322
   69   HD12  ILE  10          HD12      ILE  10  10.540   0.344  -5.683
   70   HD13  ILE  10          HD13      ILE  10  10.270  -0.761  -7.044
   71    H    CYS  11           H        CYS  11   5.563  -1.024  -9.128
   72    HA   CYS  11           HA       CYS  11   4.509  -1.977  -6.513
   73    HB2  CYS  11           HB2      CYS  11   2.947  -1.386  -9.042
   74    HB3  CYS  11           HB3      CYS  11   2.367  -2.498  -7.810
   75    H    SER  12           H        SER  12   3.499  -4.090  -6.677
   76    HA   SER  12           HA       SER  12   4.400  -6.143  -8.558
   77    HB2  SER  12           HB2      SER  12   6.391  -5.824  -7.138
   78    HB3  SER  12           HB3      SER  12   5.398  -5.942  -5.677
   79    HG   SER  12           HG       SER  12   6.490  -7.895  -6.203
   80    H    LEU  13           H        LEU  13   3.586  -8.389  -7.378
   81    HA   LEU  13           HA       LEU  13   0.792  -8.155  -6.883
   82    HB2  LEU  13           HB2      LEU  13   1.383 -10.520  -5.612
   83    HB3  LEU  13           HB3      LEU  13   0.944 -10.317  -7.264
   84    HG   LEU  13           HG       LEU  13   3.406 -10.247  -7.874
   85   HD11  LEU  13          HD11      LEU  13   3.687 -11.257  -5.004
   86   HD12  LEU  13          HD12      LEU  13   4.299  -9.704  -5.599
   87   HD13  LEU  13          HD13      LEU  13   4.976 -11.209  -6.226
   88   HD21  LEU  13          HD21      LEU  13   3.651 -12.701  -7.641
   89   HD22  LEU  13          HD22      LEU  13   2.032 -12.241  -8.185
   90   HD23  LEU  13          HD23      LEU  13   2.293 -12.718  -6.493
   91    H    TYR  14           H        TYR  14   3.462  -7.786  -4.719
   92    HA   TYR  14           HA       TYR  14   2.250  -7.880  -2.188
   93    HB2  TYR  14           HB2      TYR  14   4.715  -7.142  -3.302
   94    HB3  TYR  14           HB3      TYR  14   4.138  -5.637  -2.633
   95    HD1  TYR  14           HD1      TYR  14   4.997  -9.174  -1.933
   96    HD2  TYR  14           HD2      TYR  14   4.050  -5.340  -0.195
   97    HE1  TYR  14           HE1      TYR  14   5.756 -10.004   0.294
   98    HE2  TYR  14           HE2      TYR  14   4.813  -6.166   2.038
   99    HH   TYR  14           HH       TYR  14   6.048  -9.501   2.511
  100    H    GLN  15           H        GLN  15   1.765  -5.424  -4.732
  101    HA   GLN  15           HA       GLN  15  -0.017  -3.876  -2.915
  102    HB2  GLN  15           HB2      GLN  15   1.268  -3.129  -5.553
  103    HB3  GLN  15           HB3      GLN  15   0.404  -2.044  -4.458
  104    HG2  GLN  15           HG2      GLN  15   2.999  -3.510  -3.676
  105    HG3  GLN  15           HG3      GLN  15   2.949  -2.003  -4.477
  106   HE21  GLN  15          HE21      GLN  15   1.745  -3.662  -1.469
  107   HE22  GLN  15          HE22      GLN  15   1.788  -2.188  -0.507
  108    H    LEU  16           H        LEU  16   0.213  -5.221  -6.252
  109    HA   LEU  16           HA       LEU  16  -2.378  -4.414  -7.125
  110    HB2  LEU  16           HB2      LEU  16  -0.421  -6.537  -7.976
  111    HB3  LEU  16           HB3      LEU  16  -1.987  -6.320  -8.792
  112    HG   LEU  16           HG       LEU  16  -0.023  -5.384  -9.928
  113   HD11  LEU  16          HD11      LEU  16  -2.575  -4.625 -10.041
  114   HD12  LEU  16          HD12      LEU  16  -1.325  -3.718 -10.875
  115   HD13  LEU  16          HD13      LEU  16  -1.932  -3.158  -9.305
  116   HD21  LEU  16          HD21      LEU  16  -0.201  -3.253  -7.794
  117   HD22  LEU  16          HD22      LEU  16   0.660  -3.090  -9.343
  118   HD23  LEU  16          HD23      LEU  16   1.189  -4.305  -8.170
  119    H    GLU  17           H        GLU  17  -1.481  -7.354  -5.273
  120    HA   GLU  17           HA       GLU  17  -3.898  -8.739  -6.065
  121    HB2  GLU  17           HB2      GLU  17  -1.604  -9.662  -5.185
  122    HB3  GLU  17           HB3      GLU  17  -2.371  -9.482  -3.585
  123    HG2  GLU  17           HG2      GLU  17  -4.318 -10.858  -4.581
  124    HG3  GLU  17           HG3      GLU  17  -3.310 -11.081  -6.011
  125    H    ASN  18           H        ASN  18  -3.552  -6.104  -4.197
  126    HA   ASN  18           HA       ASN  18  -5.845  -6.519  -2.375
  127    HB2  ASN  18           HB2      ASN  18  -4.272  -4.026  -3.194
  128    HB3  ASN  18           HB3      ASN  18  -5.623  -4.001  -2.096
  129   HD21  ASN  18          HD21      ASN  18  -2.271  -4.728  -2.439
  130   HD22  ASN  18          HD22      ASN  18  -1.978  -5.186  -0.751
  131    H    TYR  19           H        TYR  19  -5.468  -5.778  -5.808
  132    HA   TYR  19           HA       TYR  19  -7.981  -4.185  -5.915
  133    HB2  TYR  19           HB2      TYR  19  -6.071  -5.385  -7.921
  134    HB3  TYR  19           HB3      TYR  19  -7.640  -4.779  -8.410
  135    HD1  TYR  19           HD1      TYR  19  -4.329  -3.999  -8.177
  136    HD2  TYR  19           HD2      TYR  19  -8.223  -2.309  -7.634
  137    HE1  TYR  19           HE1      TYR  19  -3.680  -2.138  -9.626
  138    HE2  TYR  19           HE2      TYR  19  -7.476  -0.213  -8.835
  139    HH   TYR  19           HH       TYR  19  -4.340  -0.115 -10.566
  140    H    CYS  20           H        CYS  20  -6.938  -7.555  -6.406
  141    HA   CYS  20           HA       CYS  20  -8.925  -8.413  -7.981
  142    HB2  CYS  20           HB2      CYS  20  -7.908 -10.126  -5.728
  143    HB3  CYS  20           HB3      CYS  20  -8.493 -10.626  -7.342
  144    H    ASN  21           H        ASN  21 -10.843  -9.653  -7.724
  145    HA   ASN  21           HA       ASN  21 -12.479  -8.632  -5.531
  146    HB2  ASN  21           HB2      ASN  21 -13.157 -10.255  -8.030
  147    HB3  ASN  21           HB3      ASN  21 -14.363  -9.760  -6.844
  148   HD21  ASN  21          HD21      ASN  21 -14.761  -9.001  -9.419
  149   HD22  ASN  21          HD22      ASN  21 -14.444  -7.280  -9.586
  150    H    SER  22           H        SER  22 -13.653  -9.866  -4.077
  151    HA   SER  22           HA       SER  22 -12.912 -12.734  -3.627
  152    HB2  SER  22           HB2      SER  22 -13.094 -10.535  -1.526
  153    HB3  SER  22           HB3      SER  22 -12.894 -12.265  -1.197
  154    HG   SER  22           HG       SER  22 -10.856 -11.124  -1.263
  155    H1   PHE   1           H1       PHE   1   8.891 -12.867  -8.541
  156    H2   PHE   1           H2       PHE   1   9.506 -11.553  -7.773
  157    H3   PHE   1           H3       PHE   1  10.127 -12.026  -9.209
  158    HA   PHE   1           HA       PHE   1   8.100 -11.496 -10.362
  159    HB2  PHE   1           HB2      PHE   1   6.730 -11.948  -8.193
  160    HB3  PHE   1           HB3      PHE   1   7.093 -10.290  -7.762
  161    HD1  PHE   1           HD1      PHE   1   6.091  -8.412  -9.124
  162    HD2  PHE   1           HD2      PHE   1   5.193 -12.546  -9.950
  163    HE1  PHE   1           HE1      PHE   1   4.072  -7.723 -10.392
  164    HE2  PHE   1           HE2      PHE   1   3.170 -11.854 -11.210
  165    HZ   PHE   1           HZ       PHE   1   2.587  -9.442 -11.393
  166    H    VAL   2           H        VAL   2   7.721  -9.409 -11.249
  167    HA   VAL   2           HA       VAL   2  10.153  -7.778 -10.954
  168    HB   VAL   2           HB       VAL   2   7.909  -7.593 -12.999
  169   HG11  VAL   2          HG11      VAL   2   9.195  -5.501 -12.844
  170   HG12  VAL   2          HG12      VAL   2  10.721  -6.418 -12.964
  171   HG13  VAL   2          HG13      VAL   2   9.587  -6.357 -14.335
  172   HG21  VAL   2          HG21      VAL   2  10.639  -8.957 -13.156
  173   HG22  VAL   2          HG22      VAL   2   9.061  -9.777 -13.180
  174   HG23  VAL   2          HG23      VAL   2   9.521  -8.730 -14.516
  175    H    LYS   3           H        LYS   3  10.264  -5.968  -9.785
  176    HA   LYS   3           HA       LYS   3   7.862  -4.431  -9.000
  177    HB2  LYS   3           HB2      LYS   3  10.819  -3.947  -8.466
  178    HB3  LYS   3           HB3      LYS   3   9.480  -2.999  -7.810
  179    HG2  LYS   3           HG2      LYS   3   8.594  -5.028  -6.675
  180    HG3  LYS   3           HG3      LYS   3   9.954  -5.974  -7.283
  181    HD2  LYS   3           HD2      LYS   3  10.171  -3.563  -5.446
  182    HD3  LYS   3           HD3      LYS   3  10.240  -5.268  -4.944
  183    HE2  LYS   3           HE2      LYS   3  12.248  -5.606  -6.370
  184    HE3  LYS   3           HE3      LYS   3  12.211  -3.896  -6.822
  185    HZ1  LYS   3           HZ1      LYS   3  12.575  -4.920  -4.055
  186    HZ2  LYS   3           HZ2      LYS   3  12.528  -3.336  -4.460
  187    HZ3  LYS   3           HZ3      LYS   3  13.748  -4.273  -4.989
  188    H    GLN   4           H        GLN   4   7.040  -2.876 -10.249
  189    HA   GLN   4           HA       GLN   4   8.732  -1.335 -12.149
  190    HB2  GLN   4           HB2      GLN   4   7.172  -1.987 -14.040
  191    HB3  GLN   4           HB3      GLN   4   8.340  -3.203 -13.505
  192    HG2  GLN   4           HG2      GLN   4   6.561  -4.371 -12.227
  193    HG3  GLN   4           HG3      GLN   4   5.402  -3.144 -12.710
  194   HE21  GLN   4          HE21      GLN   4   4.433  -5.429 -13.380
  195   HE22  GLN   4          HE22      GLN   4   4.758  -5.864 -15.054
  196    H    HIS   5           H        HIS   5   7.742   0.374 -13.232
  197    HA   HIS   5           HA       HIS   5   5.539   1.684 -11.780
  198    HB2  HIS   5           HB2      HIS   5   6.224   3.612 -13.304
  199    HB3  HIS   5           HB3      HIS   5   7.327   3.144 -12.018
  200    HD1  HIS   5           HD1      HIS   5   9.777   2.912 -12.726
  201    HD2  HIS   5           HD2      HIS   5   7.032   2.361 -15.866
  202    HE1  HIS   5           HE1      HIS   5  11.165   2.565 -14.841
  203    H    LEU   6           H        LEU   6   3.542   1.935 -12.571
  204    HA   LEU   6           HA       LEU   6   2.895   1.376 -15.420
  205    HB2  LEU   6           HB2      LEU   6   1.591  -0.159 -13.152
  206    HB3  LEU   6           HB3      LEU   6   1.397  -0.389 -14.870
  207    HG   LEU   6           HG       LEU   6   4.007  -0.948 -13.504
  208   HD11  LEU   6          HD11      LEU   6   3.293  -3.281 -13.474
  209   HD12  LEU   6          HD12      LEU   6   1.675  -2.780 -13.966
  210   HD13  LEU   6          HD13      LEU   6   2.341  -2.241 -12.412
  211   HD21  LEU   6          HD21      LEU   6   4.560  -2.305 -15.369
  212   HD22  LEU   6          HD22      LEU   6   3.976  -0.809 -16.088
  213   HD23  LEU   6          HD23      LEU   6   2.916  -2.242 -16.019
  214    H    CYS   7           H        CYS   7   1.211   2.466 -16.103
  215    HA   CYS   7           HA       CYS   7  -0.647   3.868 -14.209
  216    HB2  CYS   7           HB2      CYS   7   0.395   4.763 -16.912
  217    HB3  CYS   7           HB3      CYS   7  -0.651   5.681 -15.837
  218    H    GLY   8           H        GLY   8  -2.796   3.302 -14.544
  219    HA2  GLY   8           HA2      GLY   8  -4.736   2.553 -15.553
  220    HA3  GLY   8           HA3      GLY   8  -4.095   3.266 -17.029
  221    H    SER   9           H        SER   9  -3.820   1.889 -18.703
  222    HA   SER   9           HA       SER   9  -4.469  -0.840 -18.706
  223    HB2  SER   9           HB2      SER   9  -2.598   0.677 -20.589
  224    HB3  SER   9           HB3      SER   9  -3.455  -0.840 -20.966
  225    HG   SER   9           HG       SER   9  -4.570   1.000 -21.787
  226    H    HIS  10           H        HIS  10  -1.183   0.607 -18.341
  227    HA   HIS  10           HA       HIS  10   0.235  -1.946 -18.424
  228    HB2  HIS  10           HB2      HIS  10   0.912   0.708 -17.093
  229    HB3  HIS  10           HB3      HIS  10   2.028  -0.630 -17.235
  230    HD1  HIS  10           HD1      HIS  10   2.755  -1.167 -19.967
  231    HD2  HIS  10           HD2      HIS  10   0.674   2.343 -18.996
  232    HE1  HIS  10           HE1      HIS  10   3.028   0.387 -21.971
  233    H    LEU  11           H        LEU  11  -1.385  -0.057 -15.921
  234    HA   LEU  11           HA       LEU  11  -0.244  -1.468 -13.671
  235    HB2  LEU  11           HB2      LEU  11  -1.398   0.942 -13.982
  236    HB3  LEU  11           HB3      LEU  11  -2.852   0.038 -13.577
  237    HG   LEU  11           HG       LEU  11  -0.365   0.517 -11.888
  238   HD11  LEU  11          HD11      LEU  11  -1.939   2.301 -11.828
  239   HD12  LEU  11          HD12      LEU  11  -2.201   1.353 -10.338
  240   HD13  LEU  11          HD13      LEU  11  -3.323   1.197 -11.708
  241   HD21  LEU  11          HD21      LEU  11  -0.816  -1.709 -11.407
  242   HD22  LEU  11          HD22      LEU  11  -2.585  -1.457 -11.423
  243   HD23  LEU  11          HD23      LEU  11  -1.578  -0.799 -10.098
  244    H    VAL  12           H        VAL  12  -3.302  -1.601 -15.483
  245    HA   VAL  12           HA       VAL  12  -4.411  -3.963 -14.265
  246    HB   VAL  12           HB       VAL  12  -4.765  -2.799 -17.052
  247   HG11  VAL  12          HG11      VAL  12  -6.188  -5.158 -15.774
  248   HG12  VAL  12          HG12      VAL  12  -6.818  -4.253 -17.173
  249   HG13  VAL  12          HG13      VAL  12  -5.296  -5.135 -17.308
  250   HG21  VAL  12          HG21      VAL  12  -5.667  -1.447 -15.179
  251   HG22  VAL  12          HG22      VAL  12  -6.967  -2.118 -16.160
  252   HG23  VAL  12          HG23      VAL  12  -6.570  -2.860 -14.595
  253    H    GLU  13           H        GLU  13  -1.783  -3.573 -16.730
  254    HA   GLU  13           HA       GLU  13  -1.846  -6.350 -17.515
  255    HB2  GLU  13           HB2      GLU  13  -0.745  -4.394 -18.743
  256    HB3  GLU  13           HB3      GLU  13   0.607  -4.583 -17.617
  257    HG2  GLU  13           HG2      GLU  13   0.969  -6.881 -18.373
  258    HG3  GLU  13           HG3      GLU  13  -0.479  -6.811 -19.381
  259    H    ALA  14           H        ALA  14  -0.587  -4.730 -14.656
  260    HA   ALA  14           HA       ALA  14   0.782  -7.221 -13.730
  261    HB1  ALA  14           HB1      ALA  14   1.861  -5.125 -13.189
  262    HB2  ALA  14           HB2      ALA  14   0.377  -4.495 -12.461
  263    HB3  ALA  14           HB3      ALA  14   1.216  -5.901 -11.712
  264    H    LEU  15           H        LEU  15  -2.033  -5.176 -12.787
  265    HA   LEU  15           HA       LEU  15  -3.154  -6.653 -10.799
  266    HB2  LEU  15           HB2      LEU  15  -3.775  -4.448 -12.221
  267    HB3  LEU  15           HB3      LEU  15  -4.881  -5.568 -13.036
  268    HG   LEU  15           HG       LEU  15  -4.767  -4.826 -10.134
  269   HD11  LEU  15          HD11      LEU  15  -6.733  -4.325 -12.384
  270   HD12  LEU  15          HD12      LEU  15  -5.750  -3.118 -11.555
  271   HD13  LEU  15          HD13      LEU  15  -7.060  -3.922 -10.680
  272   HD21  LEU  15          HD21      LEU  15  -6.402  -6.915 -11.527
  273   HD22  LEU  15          HD22      LEU  15  -6.837  -6.202  -9.944
  274   HD23  LEU  15          HD23      LEU  15  -5.327  -7.058 -10.111
  275    H    TYR  16           H        TYR  16  -3.750  -7.103 -14.245
  276    HA   TYR  16           HA       TYR  16  -5.613  -9.263 -14.176
  277    HB2  TYR  16           HB2      TYR  16  -5.054  -7.538 -15.974
  278    HB3  TYR  16           HB3      TYR  16  -3.639  -8.502 -16.378
  279    HD1  TYR  16           HD1      TYR  16  -4.506 -11.228 -16.722
  280    HD2  TYR  16           HD2      TYR  16  -6.631  -7.552 -17.549
  281    HE1  TYR  16           HE1      TYR  16  -5.995 -12.460 -18.238
  282    HE2  TYR  16           HE2      TYR  16  -8.101  -8.792 -19.145
  283    HH   TYR  16           HH       TYR  16  -7.769 -12.329 -19.704
  284    H    LEU  17           H        LEU  17  -2.104  -9.212 -13.942
  285    HA   LEU  17           HA       LEU  17  -1.762 -12.084 -14.545
  286    HB2  LEU  17           HB2      LEU  17  -0.143 -10.312 -15.256
  287    HB3  LEU  17           HB3      LEU  17   0.112  -9.848 -13.606
  288    HG   LEU  17           HG       LEU  17   1.061 -11.936 -12.957
  289   HD11  LEU  17          HD11      LEU  17   0.008 -13.526 -14.519
  290   HD12  LEU  17          HD12      LEU  17   1.760 -13.614 -14.681
  291   HD13  LEU  17          HD13      LEU  17   0.805 -12.731 -15.895
  292   HD21  LEU  17          HD21      LEU  17   2.380 -10.787 -15.451
  293   HD22  LEU  17          HD22      LEU  17   3.191 -11.715 -14.172
  294   HD23  LEU  17          HD23      LEU  17   2.509 -10.122 -13.812
  295    H    VAL  18           H        VAL  18  -1.589  -9.776 -11.907
  296    HA   VAL  18           HA       VAL  18  -0.789 -11.472  -9.761
  297    HB   VAL  18           HB       VAL  18  -2.078  -8.693  -9.969
  298   HG11  VAL  18          HG11      VAL  18  -2.797  -9.431  -7.844
  299   HG12  VAL  18          HG12      VAL  18  -1.290 -10.324  -7.528
  300   HG13  VAL  18          HG13      VAL  18  -1.286  -8.561  -7.524
  301   HG21  VAL  18          HG21      VAL  18   0.713  -9.768  -9.277
  302   HG22  VAL  18          HG22      VAL  18   0.288  -9.007 -10.773
  303   HG23  VAL  18          HG23      VAL  18   0.268  -8.054  -9.305
  304    H    CYS  19           H        CYS  19  -3.970 -10.570 -11.039
  305    HA   CYS  19           HA       CYS  19  -5.360 -12.160  -8.949
  306    HB2  CYS  19           HB2      CYS  19  -6.326 -10.593 -11.336
  307    HB3  CYS  19           HB3      CYS  19  -7.377 -11.376 -10.128
  308    H    GLY  20           H        GLY  20  -4.168 -12.343 -12.184
  309    HA2  GLY  20           HA2      GLY  20  -3.848 -13.991 -13.713
  310    HA3  GLY  20           HA3      GLY  20  -4.373 -15.172 -12.501
  311    H    GLU  21           H        GLU  21  -6.749 -14.731 -12.014
  312    HA   GLU  21           HA       GLU  21  -8.572 -14.638 -14.363
  313    HB2  GLU  21           HB2      GLU  21  -8.059 -17.212 -12.805
  314    HB3  GLU  21           HB3      GLU  21  -9.419 -16.961 -13.906
  315    HG2  GLU  21           HG2      GLU  21  -7.767 -16.540 -15.773
  316    HG3  GLU  21           HG3      GLU  21  -6.481 -17.032 -14.668
  317    H    ARG  22           H        ARG  22  -8.074 -14.310 -10.983
  318    HA   ARG  22           HA       ARG  22 -10.650 -15.061  -9.977
  319    HB2  ARG  22           HB2      ARG  22  -8.375 -13.380  -8.834
  320    HB3  ARG  22           HB3      ARG  22  -9.795 -13.862  -7.901
  321    HG2  ARG  22           HG2      ARG  22  -9.311 -16.222  -8.215
  322    HG3  ARG  22           HG3      ARG  22  -7.923 -15.876  -9.246
  323    HD2  ARG  22           HD2      ARG  22  -8.158 -14.906  -6.375
  324    HD3  ARG  22           HD3      ARG  22  -7.430 -16.454  -6.822
  325    HE   ARG  22           HE       ARG  22  -6.076 -14.623  -8.406
  326   HH11  ARG  22          HH11      ARG  22  -6.469 -14.978  -4.893
  327   HH12  ARG  22          HH12      ARG  22  -4.884 -14.245  -4.623
  328   HH21  ARG  22          HH21      ARG  22  -4.012 -13.659  -7.775
  329   HH22  ARG  22          HH22      ARG  22  -3.692 -13.634  -6.056
  330    H    GLY  23           H        GLY  23  -9.899 -12.292 -11.730
  331    HA2  GLY  23           HA2      GLY  23 -11.243 -10.477 -12.313
  332    HA3  GLY  23           HA3      GLY  23 -12.450 -10.974 -11.129
  333    H    PHE  24           H        PHE  24 -11.864  -8.377 -11.403
  334    HA   PHE  24           HA       PHE  24 -10.748  -7.349  -8.916
  335    HB2  PHE  24           HB2      PHE  24  -8.970  -6.071 -10.078
  336    HB3  PHE  24           HB3      PHE  24  -8.670  -7.782  -9.975
  337    HD1  PHE  24           HD1      PHE  24  -8.771  -9.258 -11.997
  338    HD2  PHE  24           HD2      PHE  24  -8.959  -4.963 -12.188
  339    HE1  PHE  24           HE1      PHE  24  -8.170  -9.347 -14.397
  340    HE2  PHE  24           HE2      PHE  24  -8.188  -5.038 -14.573
  341    HZ   PHE  24           HZ       PHE  24  -7.871  -7.239 -15.678
  342    H    PHE  25           H        PHE  25 -10.624  -4.934  -8.959
  343    HA   PHE  25           HA       PHE  25 -12.426  -3.590 -10.929
  344    HB2  PHE  25           HB2      PHE  25 -13.685  -4.178  -8.871
  345    HB3  PHE  25           HB3      PHE  25 -12.513  -3.330  -7.891
  346    HD1  PHE  25           HD1      PHE  25 -15.032  -2.861 -10.622
  347    HD2  PHE  25           HD2      PHE  25 -12.763  -0.985  -7.468
  348    HE1  PHE  25           HE1      PHE  25 -16.436  -0.818 -10.820
  349    HE2  PHE  25           HE2      PHE  25 -14.178   1.044  -7.659
  350    HZ   PHE  25           HZ       PHE  25 -16.024   1.128  -9.330
  351    H    TYR  26           H        TYR  26 -10.867  -2.527 -11.995
  352    HA   TYR  26           HA       TYR  26  -8.439  -1.562 -10.756
  353    HB2  TYR  26           HB2      TYR  26  -7.853  -1.025 -13.151
  354    HB3  TYR  26           HB3      TYR  26  -8.249  -2.689 -12.802
  355    HD1  TYR  26           HD1      TYR  26 -10.145  -3.793 -13.692
  356    HD2  TYR  26           HD2      TYR  26  -9.531   0.398 -14.432
  357    HE1  TYR  26           HE1      TYR  26 -12.058  -3.809 -15.290
  358    HE2  TYR  26           HE2      TYR  26 -11.388   0.380 -16.098
  359    HH   TYR  26           HH       TYR  26 -13.022  -0.868 -17.120
  360    H    THR  27           H        THR  27 -11.362   0.002 -10.840
  361    HA   THR  27           HA       THR  27 -10.845   2.541 -11.880
  362    HB   THR  27           HB       THR  27 -12.572   1.885  -9.478
  363    HG1  THR  27           HG1      THR  27 -14.125   1.425 -10.986
  364   HG21  THR  27          HG21      THR  27 -12.794   4.089 -11.584
  365   HG22  THR  27          HG22      THR  27 -12.417   4.318  -9.859
  366   HG23  THR  27          HG23      THR  27 -14.010   3.731 -10.334
  367    HA   PRO  28           HA       PRO  28  -7.707   4.046  -9.159
  368    HB2  PRO  28           HB2      PRO  28  -8.802   6.811  -9.686
  369    HB3  PRO  28           HB3      PRO  28  -7.116   6.225  -9.775
  370    HG2  PRO  28           HG2      PRO  28  -8.563   6.554 -12.041
  371    HG3  PRO  28           HG3      PRO  28  -7.554   5.083 -11.840
  372    HD2  PRO  28           HD2      PRO  28 -10.532   5.381 -11.407
  373    HD3  PRO  28           HD3      PRO  28  -9.617   4.100 -12.263
  374    H    LYS  29           H        LYS  29 -10.991   5.081  -8.437
  375    HA   LYS  29           HA       LYS  29 -10.420   5.117  -5.547
  376    HB2  LYS  29           HB2      LYS  29 -11.471   7.323  -5.201
  377    HB3  LYS  29           HB3      LYS  29  -9.972   7.381  -6.090
  378    HG2  LYS  29           HG2      LYS  29 -11.362   8.978  -7.087
  379    HG3  LYS  29           HG3      LYS  29 -11.255   7.659  -8.231
  380    HD2  LYS  29           HD2      LYS  29 -13.508   8.604  -8.152
  381    HD3  LYS  29           HD3      LYS  29 -13.523   6.925  -7.662
  382    HE2  LYS  29           HE2      LYS  29 -15.012   8.131  -6.215
  383    HE3  LYS  29           HE3      LYS  29 -13.615   7.648  -5.254
  384    HZ1  LYS  29           HZ1      LYS  29 -12.750   9.923  -5.494
  385    HZ2  LYS  29           HZ2      LYS  29 -14.246   9.962  -4.842
  386    HZ3  LYS  29           HZ3      LYS  29 -14.032  10.357  -6.414
  387    H    THR  30           H        THR  30 -12.381   5.377  -4.241
  388    HA   THR  30           HA       THR  30 -14.836   4.190  -5.460
  389    HB   THR  30           HB       THR  30 -15.112   2.882  -3.343
  390    HG1  THR  30           HG1      THR  30 -13.260   2.566  -2.091
  391   HG21  THR  30          HG21      THR  30 -13.562   1.098  -3.905
  392   HG22  THR  30          HG22      THR  30 -12.575   2.207  -4.885
  393   HG23  THR  30          HG23      THR  30 -14.230   1.796  -5.388
  394    H    ARG  31           H        ARG  31 -16.785   4.457  -4.128
  395    HA   ARG  31           HA       ARG  31 -16.811   6.680  -2.191
  396    HB2  ARG  31           HB2      ARG  31 -18.537   7.911  -3.334
  397    HB3  ARG  31           HB3      ARG  31 -17.116   7.784  -4.364
  398    HG2  ARG  31           HG2      ARG  31 -18.226   5.949  -5.652
  399    HG3  ARG  31           HG3      ARG  31 -19.670   6.130  -4.634
  400    HD2  ARG  31           HD2      ARG  31 -18.468   8.318  -6.384
  401    HD3  ARG  31           HD3      ARG  31 -19.822   7.270  -6.848
  402    HE   ARG  31           HE       ARG  31 -20.545   8.441  -4.398
  403   HH11  ARG  31          HH11      ARG  31 -19.945   9.567  -7.661
  404   HH12  ARG  31          HH12      ARG  31 -21.005  10.943  -7.479
  405   HH21  ARG  31          HH21      ARG  31 -21.877  10.217  -4.241
  406   HH22  ARG  31          HH22      ARG  31 -22.056  11.293  -5.591
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -7.099   5.988  -3.648
    2    H2   GLY   1           H2       GLY   1  -5.561   6.492  -3.940
    3    H3   GLY   1           H3       GLY   1  -5.835   5.177  -3.012
    4    HA2  GLY   1           HA2      GLY   1  -6.773   3.977  -4.884
    5    HA3  GLY   1           HA3      GLY   1  -6.404   5.389  -5.896
    6    H    ILE   2           H        ILE   2  -5.398   2.571  -6.079
    7    HA   ILE   2           HA       ILE   2  -2.700   2.507  -4.970
    8    HB   ILE   2           HB       ILE   2  -3.901   0.482  -4.990
    9   HG12  ILE   2          HG12      ILE   2  -2.002   0.246  -7.341
   10   HG13  ILE   2          HG13      ILE   2  -1.436   0.429  -5.666
   11   HG21  ILE   2          HG21      ILE   2  -5.578   0.953  -6.728
   12   HG22  ILE   2          HG22      ILE   2  -4.316   0.923  -7.983
   13   HG23  ILE   2          HG23      ILE   2  -4.758  -0.548  -7.039
   14   HD11  ILE   2          HD11      ILE   2  -2.968  -1.948  -6.818
   15   HD12  ILE   2          HD12      ILE   2  -1.266  -1.858  -6.305
   16   HD13  ILE   2          HD13      ILE   2  -2.567  -1.725  -5.095
   17    H    VAL   3           H        VAL   3  -4.030   2.964  -8.245
   18    HA   VAL   3           HA       VAL   3  -1.975   3.423  -9.911
   19    HB   VAL   3           HB       VAL   3  -4.125   5.523  -9.423
   20   HG11  VAL   3          HG11      VAL   3  -2.802   4.548 -11.999
   21   HG12  VAL   3          HG12      VAL   3  -4.070   5.784 -11.880
   22   HG13  VAL   3          HG13      VAL   3  -2.481   6.094 -11.184
   23   HG21  VAL   3          HG21      VAL   3  -4.504   2.908 -10.934
   24   HG22  VAL   3          HG22      VAL   3  -5.347   3.408  -9.450
   25   HG23  VAL   3          HG23      VAL   3  -5.613   4.278 -10.955
   26    H    GLU   4           H        GLU   4  -2.789   5.629  -7.215
   27    HA   GLU   4           HA       GLU   4  -0.971   7.647  -8.067
   28    HB2  GLU   4           HB2      GLU   4  -2.838   8.036  -6.494
   29    HB3  GLU   4           HB3      GLU   4  -2.016   7.060  -5.262
   30    HG2  GLU   4           HG2      GLU   4  -0.176   8.664  -5.166
   31    HG3  GLU   4           HG3      GLU   4  -0.855   9.576  -6.518
   32    H    GLN   5           H        GLN   5  -0.506   4.722  -6.193
   33    HA   GLN   5           HA       GLN   5   2.292   5.290  -5.492
   34    HB2  GLN   5           HB2      GLN   5   0.549   3.853  -4.174
   35    HB3  GLN   5           HB3      GLN   5   0.851   2.606  -5.347
   36    HG2  GLN   5           HG2      GLN   5   2.259   2.142  -3.481
   37    HG3  GLN   5           HG3      GLN   5   3.299   2.664  -4.792
   38   HE21  GLN   5          HE21      GLN   5   4.466   4.727  -4.543
   39   HE22  GLN   5          HE22      GLN   5   4.470   5.544  -2.995
   40    H    CYS   6           H        CYS   6   0.542   2.998  -7.583
   41    HA   CYS   6           HA       CYS   6   2.946   1.806  -8.642
   42    HB2  CYS   6           HB2      CYS   6   0.117   1.552  -9.651
   43    HB3  CYS   6           HB3      CYS   6   1.479   0.506 -10.048
   44    H    CYS   7           H        CYS   7   1.044   4.522  -9.934
   45    HA   CYS   7           HA       CYS   7   2.453   4.249 -12.508
   46    HB2  CYS   7           HB2      CYS   7   0.100   4.896 -12.461
   47    HB3  CYS   7           HB3      CYS   7   0.433   6.285 -11.479
   48    H    THR   8           H        THR   8   2.700   6.228  -9.552
   49    HA   THR   8           HA       THR   8   4.789   7.967 -10.700
   50    HB   THR   8           HB       THR   8   4.876   9.045  -8.567
   51    HG1  THR   8           HG1      THR   8   2.896   7.575  -7.353
   52   HG21  THR   8          HG21      THR   8   1.975   8.404  -9.243
   53   HG22  THR   8          HG22      THR   8   2.991   9.648 -10.005
   54   HG23  THR   8          HG23      THR   8   2.569   9.785  -8.281
   55    H    SER   9           H        SER   9   4.589   5.156  -8.568
   56    HA   SER   9           HA       SER   9   7.556   4.960  -8.482
   57    HB2  SER   9           HB2      SER   9   5.848   4.038  -6.178
   58    HB3  SER   9           HB3      SER   9   7.560   4.426  -6.217
   59    HG   SER   9           HG       SER   9   5.504   6.369  -6.569
   60    H    ILE  10           H        ILE  10   7.946   2.572  -7.391
   61    HA   ILE  10           HA       ILE  10   6.859   0.724  -9.369
   62    HB   ILE  10           HB       ILE  10   8.456  -0.893  -8.335
   63   HG12  ILE  10          HG12      ILE  10   9.330   1.540  -6.682
   64   HG13  ILE  10          HG13      ILE  10   8.520   0.111  -6.045
   65   HG21  ILE  10          HG21      ILE  10  10.342   0.153  -9.439
   66   HG22  ILE  10          HG22      ILE  10   8.875   0.616 -10.307
   67   HG23  ILE  10          HG23      ILE  10   9.647   1.772  -9.213
   68   HD11  ILE  10          HD11      ILE  10  10.868   0.010  -5.573
   69   HD12  ILE  10          HD12      ILE  10  10.478  -1.265  -6.745
   70   HD13  ILE  10          HD13      ILE  10  11.289   0.235  -7.278
   71    H    CYS  11           H        CYS  11   5.722  -1.074  -9.140
   72    HA   CYS  11           HA       CYS  11   4.664  -1.903  -6.482
   73    HB2  CYS  11           HB2      CYS  11   3.101  -1.293  -8.989
   74    HB3  CYS  11           HB3      CYS  11   2.498  -2.412  -7.773
   75    H    SER  12           H        SER  12   3.569  -4.029  -6.671
   76    HA   SER  12           HA       SER  12   4.658  -6.075  -8.444
   77    HB2  SER  12           HB2      SER  12   6.512  -5.690  -6.840
   78    HB3  SER  12           HB3      SER  12   5.400  -5.911  -5.483
   79    HG   SER  12           HG       SER  12   6.622  -7.809  -6.017
   80    H    LEU  13           H        LEU  13   3.724  -8.371  -7.286
   81    HA   LEU  13           HA       LEU  13   0.923  -8.007  -7.120
   82    HB2  LEU  13           HB2      LEU  13   0.838 -10.321  -6.997
   83    HB3  LEU  13           HB3      LEU  13   2.277  -9.984  -7.980
   84    HG   LEU  13           HG       LEU  13   2.311 -10.751  -5.092
   85   HD11  LEU  13          HD11      LEU  13   1.435 -12.566  -6.546
   86   HD12  LEU  13          HD12      LEU  13   3.028 -12.978  -5.898
   87   HD13  LEU  13          HD13      LEU  13   2.879 -12.420  -7.577
   88   HD21  LEU  13          HD21      LEU  13   4.543 -10.485  -7.088
   89   HD22  LEU  13          HD22      LEU  13   4.698 -11.331  -5.537
   90   HD23  LEU  13          HD23      LEU  13   4.350  -9.611  -5.556
   91    H    TYR  14           H        TYR  14   3.371  -7.833  -4.706
   92    HA   TYR  14           HA       TYR  14   1.811  -8.141  -2.341
   93    HB2  TYR  14           HB2      TYR  14   4.474  -7.599  -2.996
   94    HB3  TYR  14           HB3      TYR  14   3.949  -6.086  -2.280
   95    HD1  TYR  14           HD1      TYR  14   3.560  -5.950   0.134
   96    HD2  TYR  14           HD2      TYR  14   4.273  -9.747  -1.788
   97    HE1  TYR  14           HE1      TYR  14   3.847  -7.021   2.368
   98    HE2  TYR  14           HE2      TYR  14   4.554 -10.822   0.462
   99    HH   TYR  14           HH       TYR  14   4.280  -8.956   3.513
  100    H    GLN  15           H        GLN  15   1.764  -5.529  -4.724
  101    HA   GLN  15           HA       GLN  15   0.025  -3.880  -2.952
  102    HB2  GLN  15           HB2      GLN  15   1.364  -3.252  -5.599
  103    HB3  GLN  15           HB3      GLN  15   0.551  -2.107  -4.531
  104    HG2  GLN  15           HG2      GLN  15   3.062  -3.685  -3.693
  105    HG3  GLN  15           HG3      GLN  15   3.095  -2.184  -4.521
  106   HE21  GLN  15          HE21      GLN  15   1.759  -3.730  -1.506
  107   HE22  GLN  15          HE22      GLN  15   1.880  -2.250  -0.565
  108    H    LEU  16           H        LEU  16   0.215  -5.287  -6.255
  109    HA   LEU  16           HA       LEU  16  -2.377  -4.417  -7.104
  110    HB2  LEU  16           HB2      LEU  16  -0.439  -6.526  -8.028
  111    HB3  LEU  16           HB3      LEU  16  -1.999  -6.271  -8.824
  112    HG   LEU  16           HG       LEU  16   0.007  -5.317  -9.909
  113   HD11  LEU  16          HD11      LEU  16  -1.932  -3.108  -9.282
  114   HD12  LEU  16          HD12      LEU  16  -2.541  -4.564 -10.070
  115   HD13  LEU  16          HD13      LEU  16  -1.268  -3.639 -10.851
  116   HD21  LEU  16          HD21      LEU  16   0.693  -3.032  -9.273
  117   HD22  LEU  16          HD22      LEU  16   1.185  -4.255  -8.099
  118   HD23  LEU  16          HD23      LEU  16  -0.214  -3.209  -7.753
  119    H    GLU  17           H        GLU  17  -1.511  -7.400  -5.290
  120    HA   GLU  17           HA       GLU  17  -3.947  -8.724  -6.073
  121    HB2  GLU  17           HB2      GLU  17  -1.683  -9.684  -5.164
  122    HB3  GLU  17           HB3      GLU  17  -2.470  -9.515  -3.586
  123    HG2  GLU  17           HG2      GLU  17  -4.399 -10.882  -4.607
  124    HG3  GLU  17           HG3      GLU  17  -3.385 -11.079  -6.040
  125    H    ASN  18           H        ASN  18  -3.549  -6.107  -4.169
  126    HA   ASN  18           HA       ASN  18  -5.842  -6.471  -2.350
  127    HB2  ASN  18           HB2      ASN  18  -4.266  -4.006  -3.223
  128    HB3  ASN  18           HB3      ASN  18  -5.590  -3.957  -2.092
  129   HD21  ASN  18          HD21      ASN  18  -2.245  -4.617  -2.466
  130   HD22  ASN  18          HD22      ASN  18  -1.929  -5.114  -0.800
  131    H    TYR  19           H        TYR  19  -5.462  -5.754  -5.784
  132    HA   TYR  19           HA       TYR  19  -7.976  -4.156  -5.905
  133    HB2  TYR  19           HB2      TYR  19  -6.035  -5.337  -7.891
  134    HB3  TYR  19           HB3      TYR  19  -7.607  -4.757  -8.394
  135    HD1  TYR  19           HD1      TYR  19  -4.311  -3.939  -8.170
  136    HD2  TYR  19           HD2      TYR  19  -8.228  -2.300  -7.635
  137    HE1  TYR  19           HE1      TYR  19  -3.700  -2.111  -9.669
  138    HE2  TYR  19           HE2      TYR  19  -7.526  -0.221  -8.897
  139    HH   TYR  19           HH       TYR  19  -4.424  -0.137 -10.690
  140    H    CYS  20           H        CYS  20  -6.918  -7.521  -6.404
  141    HA   CYS  20           HA       CYS  20  -8.907  -8.387  -7.982
  142    HB2  CYS  20           HB2      CYS  20  -7.872 -10.108  -5.738
  143    HB3  CYS  20           HB3      CYS  20  -8.457 -10.604  -7.356
  144    H    ASN  21           H        ASN  21 -10.983  -9.213  -7.835
  145    HA   ASN  21           HA       ASN  21 -12.496  -8.309  -5.544
  146    HB2  ASN  21           HB2      ASN  21 -13.221  -7.803  -7.833
  147    HB3  ASN  21           HB3      ASN  21 -13.139  -9.509  -8.276
  148   HD21  ASN  21          HD21      ASN  21 -15.307  -9.099  -9.069
  149   HD22  ASN  21          HD22      ASN  21 -16.629  -9.249  -7.924
  150    H    SER  22           H        SER  22 -12.685  -9.634  -3.808
  151    HA   SER  22           HA       SER  22 -12.774 -12.612  -4.121
  152    HB2  SER  22           HB2      SER  22 -11.090 -11.172  -2.049
  153    HB3  SER  22           HB3      SER  22 -11.121 -12.900  -2.424
  154    HG   SER  22           HG       SER  22 -10.089 -10.728  -3.936
  155    H1   PHE   1           H1       PHE   1  10.043 -11.270  -7.747
  156    H2   PHE   1           H2       PHE   1  10.577 -11.826  -9.181
  157    H3   PHE   1           H3       PHE   1   9.459 -12.686  -8.343
  158    HA   PHE   1           HA       PHE   1   8.425 -11.526 -10.197
  159    HB2  PHE   1           HB2      PHE   1   7.274 -11.861  -7.867
  160    HB3  PHE   1           HB3      PHE   1   7.545 -10.149  -7.633
  161    HD1  PHE   1           HD1      PHE   1   6.291  -8.481  -9.009
  162    HD2  PHE   1           HD2      PHE   1   5.664 -12.733  -9.445
  163    HE1  PHE   1           HE1      PHE   1   4.078  -8.056 -10.053
  164    HE2  PHE   1           HE2      PHE   1   3.458 -12.298 -10.486
  165    HZ   PHE   1           HZ       PHE   1   2.638  -9.973 -10.718
  166    H    VAL   2           H        VAL   2   7.844  -9.567 -11.216
  167    HA   VAL   2           HA       VAL   2  10.176  -7.788 -11.319
  168    HB   VAL   2           HB       VAL   2   7.667  -7.807 -13.026
  169   HG11  VAL   2          HG11      VAL   2  10.409  -6.546 -13.457
  170   HG12  VAL   2          HG12      VAL   2   9.091  -6.595 -14.648
  171   HG13  VAL   2          HG13      VAL   2   8.888  -5.666 -13.155
  172   HG21  VAL   2          HG21      VAL   2   8.856  -9.956 -13.273
  173   HG22  VAL   2          HG22      VAL   2   9.113  -8.960 -14.706
  174   HG23  VAL   2          HG23      VAL   2  10.399  -9.100 -13.491
  175    H    LYS   3           H        LYS   3  10.338  -6.013 -10.134
  176    HA   LYS   3           HA       LYS   3   7.996  -4.468  -9.203
  177    HB2  LYS   3           HB2      LYS   3  10.981  -4.042  -8.802
  178    HB3  LYS   3           HB3      LYS   3   9.690  -3.087  -8.057
  179    HG2  LYS   3           HG2      LYS   3   8.827  -5.096  -6.913
  180    HG3  LYS   3           HG3      LYS   3  10.115  -6.083  -7.617
  181    HD2  LYS   3           HD2      LYS   3  10.547  -3.714  -5.760
  182    HD3  LYS   3           HD3      LYS   3  10.552  -5.424  -5.280
  183    HE2  LYS   3           HE2      LYS   3  12.454  -5.844  -6.832
  184    HE3  LYS   3           HE3      LYS   3  12.486  -4.130  -7.256
  185    HZ1  LYS   3           HZ1      LYS   3  12.963  -5.210  -4.527
  186    HZ2  LYS   3           HZ2      LYS   3  12.982  -3.623  -4.922
  187    HZ3  LYS   3           HZ3      LYS   3  14.110  -4.629  -5.534
  188    H    GLN   4           H        GLN   4   7.132  -2.884 -10.370
  189    HA   GLN   4           HA       GLN   4   8.721  -1.277 -12.295
  190    HB2  GLN   4           HB2      GLN   4   7.094  -1.909 -14.133
  191    HB3  GLN   4           HB3      GLN   4   8.293  -3.126 -13.691
  192    HG2  GLN   4           HG2      GLN   4   6.581  -4.359 -12.372
  193    HG3  GLN   4           HG3      GLN   4   5.394  -3.120 -12.759
  194   HE21  GLN   4          HE21      GLN   4   4.370  -5.346 -13.474
  195   HE22  GLN   4          HE22      GLN   4   4.626  -5.735 -15.170
  196    H    HIS   5           H        HIS   5   7.684   0.527 -13.164
  197    HA   HIS   5           HA       HIS   5   5.317   1.505 -11.685
  198    HB2  HIS   5           HB2      HIS   5   5.912   3.696 -12.731
  199    HB3  HIS   5           HB3      HIS   5   7.045   3.057 -11.547
  200    HD1  HIS   5           HD1      HIS   5   9.487   3.409 -12.285
  201    HD2  HIS   5           HD2      HIS   5   6.810   2.818 -15.474
  202    HE1  HIS   5           HE1      HIS   5  10.880   3.542 -14.420
  203    H    LEU   6           H        LEU   6   3.440   1.994 -12.638
  204    HA   LEU   6           HA       LEU   6   2.910   1.474 -15.521
  205    HB2  LEU   6           HB2      LEU   6   1.538  -0.023 -13.247
  206    HB3  LEU   6           HB3      LEU   6   1.355  -0.297 -14.952
  207    HG   LEU   6           HG       LEU   6   3.945  -0.851 -13.534
  208   HD11  LEU   6          HD11      LEU   6   1.629  -2.699 -14.014
  209   HD12  LEU   6          HD12      LEU   6   2.228  -2.101 -12.453
  210   HD13  LEU   6          HD13      LEU   6   3.239  -3.152 -13.448
  211   HD21  LEU   6          HD21      LEU   6   2.891  -2.165 -16.049
  212   HD22  LEU   6          HD22      LEU   6   4.521  -2.209 -15.380
  213   HD23  LEU   6          HD23      LEU   6   3.938  -0.719 -16.122
  214    H    CYS   7           H        CYS   7   1.131   2.539 -16.228
  215    HA   CYS   7           HA       CYS   7  -0.773   3.801 -14.283
  216    HB2  CYS   7           HB2      CYS   7   0.904   5.107 -16.183
  217    HB3  CYS   7           HB3      CYS   7  -0.725   5.141 -16.843
  218    H    GLY   8           H        GLY   8  -2.906   3.257 -14.611
  219    HA2  GLY   8           HA2      GLY   8  -4.842   2.472 -15.597
  220    HA3  GLY   8           HA3      GLY   8  -4.208   3.183 -17.079
  221    H    SER   9           H        SER   9  -3.947   1.807 -18.756
  222    HA   SER   9           HA       SER   9  -4.527  -0.934 -18.764
  223    HB2  SER   9           HB2      SER   9  -2.682   0.624 -20.635
  224    HB3  SER   9           HB3      SER   9  -3.505  -0.905 -21.018
  225    HG   SER   9           HG       SER   9  -4.634   0.950 -21.830
  226    H    HIS  10           H        HIS  10  -1.280   0.591 -18.369
  227    HA   HIS  10           HA       HIS  10   0.190  -1.939 -18.438
  228    HB2  HIS  10           HB2      HIS  10   0.849   0.734 -17.139
  229    HB3  HIS  10           HB3      HIS  10   1.978  -0.585 -17.300
  230    HD1  HIS  10           HD1      HIS  10   2.637  -1.132 -20.055
  231    HD2  HIS  10           HD2      HIS  10   0.541   2.364 -19.044
  232    HE1  HIS  10           HE1      HIS  10   2.839   0.416 -22.075
  233    H    LEU  11           H        LEU  11  -1.445  -0.038 -15.943
  234    HA   LEU  11           HA       LEU  11  -0.264  -1.446 -13.707
  235    HB2  LEU  11           HB2      LEU  11  -1.464   0.961 -14.014
  236    HB3  LEU  11           HB3      LEU  11  -2.869   0.027 -13.513
  237    HG   LEU  11           HG       LEU  11  -0.287   0.593 -11.987
  238   HD11  LEU  11          HD11      LEU  11  -2.058   1.401 -10.334
  239   HD12  LEU  11          HD12      LEU  11  -3.243   1.178 -11.626
  240   HD13  LEU  11          HD13      LEU  11  -1.911   2.330 -11.853
  241   HD21  LEU  11          HD21      LEU  11  -0.663  -1.654 -11.457
  242   HD22  LEU  11          HD22      LEU  11  -2.428  -1.428 -11.335
  243   HD23  LEU  11          HD23      LEU  11  -1.329  -0.732 -10.110
  244    H    VAL  12           H        VAL  12  -3.325  -1.611 -15.506
  245    HA   VAL  12           HA       VAL  12  -4.388  -3.965 -14.260
  246    HB   VAL  12           HB       VAL  12  -4.776  -2.846 -17.066
  247   HG11  VAL  12          HG11      VAL  12  -5.258  -5.194 -17.298
  248   HG12  VAL  12          HG12      VAL  12  -6.144  -5.220 -15.757
  249   HG13  VAL  12          HG13      VAL  12  -6.799  -4.344 -17.161
  250   HG21  VAL  12          HG21      VAL  12  -5.703  -1.502 -15.190
  251   HG22  VAL  12          HG22      VAL  12  -6.985  -2.205 -16.176
  252   HG23  VAL  12          HG23      VAL  12  -6.579  -2.927 -14.607
  253    H    GLU  13           H        GLU  13  -1.779  -3.575 -16.745
  254    HA   GLU  13           HA       GLU  13  -1.807  -6.355 -17.499
  255    HB2  GLU  13           HB2      GLU  13  -0.708  -4.402 -18.734
  256    HB3  GLU  13           HB3      GLU  13   0.651  -4.585 -17.607
  257    HG2  GLU  13           HG2      GLU  13   1.013  -6.883 -18.348
  258    HG3  GLU  13           HG3      GLU  13  -0.443  -6.826 -19.347
  259    H    ALA  14           H        ALA  14  -0.563  -4.706 -14.650
  260    HA   ALA  14           HA       ALA  14   0.826  -7.175 -13.694
  261    HB1  ALA  14           HB1      ALA  14   0.359  -4.427 -12.462
  262    HB2  ALA  14           HB2      ALA  14   1.220  -5.807 -11.696
  263    HB3  ALA  14           HB3      ALA  14   1.847  -5.034 -13.185
  264    H    LEU  15           H        LEU  15  -2.026  -5.156 -12.778
  265    HA   LEU  15           HA       LEU  15  -3.130  -6.626 -10.775
  266    HB2  LEU  15           HB2      LEU  15  -3.754  -4.437 -12.240
  267    HB3  LEU  15           HB3      LEU  15  -4.859  -5.575 -13.022
  268    HG   LEU  15           HG       LEU  15  -4.747  -4.776 -10.140
  269   HD11  LEU  15          HD11      LEU  15  -7.021  -3.836 -10.692
  270   HD12  LEU  15          HD12      LEU  15  -6.729  -4.298 -12.389
  271   HD13  LEU  15          HD13      LEU  15  -5.710  -3.084 -11.612
  272   HD21  LEU  15          HD21      LEU  15  -5.321  -6.998 -10.088
  273   HD22  LEU  15          HD22      LEU  15  -6.401  -6.866 -11.511
  274   HD23  LEU  15          HD23      LEU  15  -6.831  -6.128  -9.945
  275    H    TYR  16           H        TYR  16  -3.689  -7.129 -14.221
  276    HA   TYR  16           HA       TYR  16  -5.533  -9.327 -14.131
  277    HB2  TYR  16           HB2      TYR  16  -5.025  -7.579 -15.923
  278    HB3  TYR  16           HB3      TYR  16  -3.568  -8.463 -16.326
  279    HD1  TYR  16           HD1      TYR  16  -4.223 -11.182 -16.814
  280    HD2  TYR  16           HD2      TYR  16  -6.606  -7.644 -17.492
  281    HE1  TYR  16           HE1      TYR  16  -5.550 -12.416 -18.484
  282    HE2  TYR  16           HE2      TYR  16  -7.962  -8.905 -19.177
  283    HH   TYR  16           HH       TYR  16  -7.309 -12.360 -19.936
  284    H    LEU  17           H        LEU  17  -2.054  -9.228 -13.879
  285    HA   LEU  17           HA       LEU  17  -1.648 -12.092 -14.466
  286    HB2  LEU  17           HB2      LEU  17  -0.040 -10.288 -15.141
  287    HB3  LEU  17           HB3      LEU  17   0.177  -9.841 -13.490
  288    HG   LEU  17           HG       LEU  17   1.132 -11.934 -12.839
  289   HD11  LEU  17          HD11      LEU  17   1.896 -13.569 -14.577
  290   HD12  LEU  17          HD12      LEU  17   0.960 -12.682 -15.801
  291   HD13  LEU  17          HD13      LEU  17   0.142 -13.510 -14.452
  292   HD21  LEU  17          HD21      LEU  17   2.491 -10.696 -15.272
  293   HD22  LEU  17          HD22      LEU  17   3.284 -11.665 -14.011
  294   HD23  LEU  17          HD23      LEU  17   2.575 -10.095 -13.601
  295    H    VAL  18           H        VAL  18  -1.556  -9.759 -11.848
  296    HA   VAL  18           HA       VAL  18  -0.797 -11.455  -9.681
  297    HB   VAL  18           HB       VAL  18  -2.021  -8.656  -9.913
  298   HG11  VAL  18          HG11      VAL  18  -2.733  -9.324  -7.793
  299   HG12  VAL  18          HG12      VAL  18  -1.293 -10.305  -7.482
  300   HG13  VAL  18          HG13      VAL  18  -1.176  -8.540  -7.472
  301   HG21  VAL  18          HG21      VAL  18   0.716  -9.851  -9.334
  302   HG22  VAL  18          HG22      VAL  18   0.307  -8.979 -10.761
  303   HG23  VAL  18          HG23      VAL  18   0.381  -8.103  -9.244
  304    H    CYS  19           H        CYS  19  -3.890 -10.463 -10.959
  305    HA   CYS  19           HA       CYS  19  -5.411 -12.140  -9.010
  306    HB2  CYS  19           HB2      CYS  19  -6.272 -10.444 -11.350
  307    HB3  CYS  19           HB3      CYS  19  -7.369 -11.240 -10.201
  308    H    GLY  20           H        GLY  20  -3.950 -12.448 -12.136
  309    HA2  GLY  20           HA2      GLY  20  -3.925 -14.122 -13.698
  310    HA3  GLY  20           HA3      GLY  20  -4.392 -15.230 -12.397
  311    H    GLU  21           H        GLU  21  -6.067 -12.512 -13.952
  312    HA   GLU  21           HA       GLU  21  -8.199 -12.130 -14.457
  313    HB2  GLU  21           HB2      GLU  21  -9.025 -13.155 -16.399
  314    HB3  GLU  21           HB3      GLU  21  -7.292 -12.884 -16.506
  315    HG2  GLU  21           HG2      GLU  21  -6.831 -15.254 -16.257
  316    HG3  GLU  21           HG3      GLU  21  -8.529 -15.592 -15.887
  317    H    ARG  22           H        ARG  22  -7.971 -13.989 -12.101
  318    HA   ARG  22           HA       ARG  22 -10.470 -15.352 -11.781
  319    HB2  ARG  22           HB2      ARG  22  -8.522 -15.593 -10.290
  320    HB3  ARG  22           HB3      ARG  22  -8.719 -13.910  -9.741
  321    HG2  ARG  22           HG2      ARG  22 -10.846 -14.418  -8.727
  322    HG3  ARG  22           HG3      ARG  22 -10.848 -16.045  -9.431
  323    HD2  ARG  22           HD2      ARG  22 -10.258 -16.231  -7.098
  324    HD3  ARG  22           HD3      ARG  22  -8.856 -16.632  -8.072
  325    HE   ARG  22           HE       ARG  22  -7.713 -14.809  -7.221
  326   HH11  ARG  22          HH11      ARG  22  -7.326 -13.236  -5.643
  327   HH12  ARG  22          HH12      ARG  22  -8.706 -12.554  -4.792
  328   HH21  ARG  22          HH21      ARG  22 -11.101 -14.299  -6.361
  329   HH22  ARG  22          HH22      ARG  22 -10.670 -13.042  -5.217
  330    H    GLY  23           H        GLY  23  -9.575 -11.982 -11.249
  331    HA2  GLY  23           HA2      GLY  23 -11.391 -10.516 -12.255
  332    HA3  GLY  23           HA3      GLY  23 -12.448 -11.140 -10.998
  333    H    PHE  24           H        PHE  24 -11.846  -8.478 -11.456
  334    HA   PHE  24           HA       PHE  24 -10.831  -7.303  -8.990
  335    HB2  PHE  24           HB2      PHE  24  -8.956  -6.180 -10.081
  336    HB3  PHE  24           HB3      PHE  24  -8.706  -7.902 -10.015
  337    HD1  PHE  24           HD1      PHE  24  -8.912  -5.031 -12.200
  338    HD2  PHE  24           HD2      PHE  24  -8.885  -9.336 -12.066
  339    HE1  PHE  24           HE1      PHE  24  -8.145  -5.106 -14.575
  340    HE2  PHE  24           HE2      PHE  24  -8.312  -9.417 -14.456
  341    HZ   PHE  24           HZ       PHE  24  -7.925  -7.299 -15.716
  342    H    PHE  25           H        PHE  25 -10.617  -4.949  -9.224
  343    HA   PHE  25           HA       PHE  25 -12.141  -3.658 -11.431
  344    HB2  PHE  25           HB2      PHE  25 -12.287  -3.025  -8.449
  345    HB3  PHE  25           HB3      PHE  25 -12.806  -1.913  -9.703
  346    HD1  PHE  25           HD1      PHE  25 -13.628  -5.037  -7.931
  347    HD2  PHE  25           HD2      PHE  25 -14.781  -2.318 -11.070
  348    HE1  PHE  25           HE1      PHE  25 -15.889  -6.094  -8.011
  349    HE2  PHE  25           HE2      PHE  25 -17.038  -3.383 -11.153
  350    HZ   PHE  25           HZ       PHE  25 -17.592  -5.253  -9.619
  351    H    TYR  26           H        TYR  26 -11.250  -1.610 -12.028
  352    HA   TYR  26           HA       TYR  26  -8.568  -0.924 -10.917
  353    HB2  TYR  26           HB2      TYR  26  -7.682  -0.775 -13.207
  354    HB3  TYR  26           HB3      TYR  26  -8.131  -2.389 -12.714
  355    HD1  TYR  26           HD1      TYR  26  -8.978   0.401 -15.004
  356    HD2  TYR  26           HD2      TYR  26  -9.974  -3.595 -13.716
  357    HE1  TYR  26           HE1      TYR  26 -10.413   0.099 -17.021
  358    HE2  TYR  26           HE2      TYR  26 -11.434  -3.883 -15.707
  359    HH   TYR  26           HH       TYR  26 -12.234  -2.927 -17.636
  360    H    THR  27           H        THR  27 -11.374   0.317 -10.917
  361    HA   THR  27           HA       THR  27 -11.511   2.670 -12.411
  362    HB   THR  27           HB       THR  27 -12.503   2.173  -9.584
  363    HG1  THR  27           HG1      THR  27 -13.785   1.731 -12.081
  364   HG21  THR  27          HG21      THR  27 -13.489   4.087 -11.752
  365   HG22  THR  27          HG22      THR  27 -12.817   4.526 -10.166
  366   HG23  THR  27          HG23      THR  27 -14.371   3.696 -10.260
  367    HA   PRO  28           HA       PRO  28  -8.002   4.706 -10.433
  368    HB2  PRO  28           HB2      PRO  28  -7.731   6.916 -12.007
  369    HB3  PRO  28           HB3      PRO  28  -7.352   5.266 -12.583
  370    HG2  PRO  28           HG2      PRO  28  -9.937   6.810 -12.987
  371    HG3  PRO  28           HG3      PRO  28  -8.940   5.979 -14.230
  372    HD2  PRO  28           HD2      PRO  28 -11.095   4.773 -13.106
  373    HD3  PRO  28           HD3      PRO  28  -9.602   3.843 -13.471
  374    H    LYS  29           H        LYS  29 -11.176   6.107 -10.609
  375    HA   LYS  29           HA       LYS  29 -10.775   8.473  -9.025
  376    HB2  LYS  29           HB2      LYS  29 -12.765   7.757 -10.547
  377    HB3  LYS  29           HB3      LYS  29 -13.304   6.802  -9.162
  378    HG2  LYS  29           HG2      LYS  29 -13.203   9.052  -7.821
  379    HG3  LYS  29           HG3      LYS  29 -12.987   9.817  -9.392
  380    HD2  LYS  29           HD2      LYS  29 -15.299   9.960  -8.850
  381    HD3  LYS  29           HD3      LYS  29 -15.182   8.720 -10.108
  382    HE2  LYS  29           HE2      LYS  29 -15.258   6.935  -8.370
  383    HE3  LYS  29           HE3      LYS  29 -15.287   8.158  -7.099
  384    HZ1  LYS  29           HZ1      LYS  29 -17.403   7.800  -9.154
  385    HZ2  LYS  29           HZ2      LYS  29 -17.430   8.932  -7.976
  386    HZ3  LYS  29           HZ3      LYS  29 -17.522   7.351  -7.589
  387    H    THR  30           H        THR  30 -10.841   5.131  -8.093
  388    HA   THR  30           HA       THR  30 -12.159   5.155  -5.648
  389    HB   THR  30           HB       THR  30  -9.723   3.453  -6.287
  390    HG1  THR  30           HG1      THR  30 -10.982   2.960  -7.892
  391   HG21  THR  30          HG21      THR  30 -10.925   1.763  -4.911
  392   HG22  THR  30          HG22      THR  30 -12.162   2.986  -4.516
  393   HG23  THR  30          HG23      THR  30 -10.489   3.191  -3.956
  394    H    ARG  31           H        ARG  31 -11.853   6.275  -3.846
  395    HA   ARG  31           HA       ARG  31  -9.388   7.647  -3.193
  396    HB2  ARG  31           HB2      ARG  31 -11.953   7.289  -1.587
  397    HB3  ARG  31           HB3      ARG  31 -10.599   8.334  -1.136
  398    HG2  ARG  31           HG2      ARG  31 -10.868   9.580  -3.308
  399    HG3  ARG  31           HG3      ARG  31 -12.323   8.636  -3.643
  400    HD2  ARG  31           HD2      ARG  31 -11.880  10.432  -1.222
  401    HD3  ARG  31           HD3      ARG  31 -12.807  10.868  -2.668
  402    HE   ARG  31           HE       ARG  31 -13.958   8.501  -1.714
  403   HH11  ARG  31          HH11      ARG  31 -13.608  11.774  -0.492
  404   HH12  ARG  31          HH12      ARG  31 -15.037  11.648   0.496
  405   HH21  ARG  31          HH21      ARG  31 -15.758   8.416  -0.429
  406   HH22  ARG  31          HH22      ARG  31 -16.215   9.799   0.525
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -7.099   6.342  -4.051
    2    H2   GLY   1           H2       GLY   1  -5.507   6.684  -4.235
    3    H3   GLY   1           H3       GLY   1  -5.963   5.466  -3.244
    4    HA2  GLY   1           HA2      GLY   1  -6.798   4.163  -5.085
    5    HA3  GLY   1           HA3      GLY   1  -6.352   5.487  -6.169
    6    H    ILE   2           H        ILE   2  -5.408   2.640  -6.089
    7    HA   ILE   2           HA       ILE   2  -2.707   2.574  -4.981
    8    HB   ILE   2           HB       ILE   2  -3.930   0.553  -4.970
    9   HG12  ILE   2          HG12      ILE   2  -2.080   0.252  -7.359
   10   HG13  ILE   2          HG13      ILE   2  -1.485   0.446  -5.696
   11   HG21  ILE   2          HG21      ILE   2  -4.819  -0.495  -7.006
   12   HG22  ILE   2          HG22      ILE   2  -5.627   1.008  -6.689
   13   HG23  ILE   2          HG23      ILE   2  -4.382   0.964  -7.960
   14   HD11  ILE   2          HD11      ILE   2  -3.097  -1.913  -6.775
   15   HD12  ILE   2          HD12      ILE   2  -1.381  -1.845  -6.329
   16   HD13  ILE   2          HD13      ILE   2  -2.632  -1.675  -5.074
   17    H    VAL   3           H        VAL   3  -4.034   2.991  -8.263
   18    HA   VAL   3           HA       VAL   3  -1.954   3.384  -9.924
   19    HB   VAL   3           HB       VAL   3  -4.130   5.466  -9.524
   20   HG11  VAL   3          HG11      VAL   3  -2.707   4.492 -12.040
   21   HG12  VAL   3          HG12      VAL   3  -4.021   5.688 -11.977
   22   HG13  VAL   3          HG13      VAL   3  -2.466   6.060 -11.240
   23   HG21  VAL   3          HG21      VAL   3  -5.565   4.179 -11.068
   24   HG22  VAL   3          HG22      VAL   3  -4.428   2.831 -11.018
   25   HG23  VAL   3          HG23      VAL   3  -5.315   3.315  -9.559
   26    H    GLU   4           H        GLU   4  -2.759   5.664  -7.285
   27    HA   GLU   4           HA       GLU   4  -0.929   7.640  -8.213
   28    HB2  GLU   4           HB2      GLU   4  -2.784   8.088  -6.636
   29    HB3  GLU   4           HB3      GLU   4  -1.958   7.154  -5.380
   30    HG2  GLU   4           HG2      GLU   4  -0.113   8.753  -5.330
   31    HG3  GLU   4           HG3      GLU   4  -0.794   9.635  -6.709
   32    H    GLN   5           H        GLN   5  -0.496   4.797  -6.205
   33    HA   GLN   5           HA       GLN   5   2.302   5.320  -5.502
   34    HB2  GLN   5           HB2      GLN   5   0.310   3.880  -4.323
   35    HB3  GLN   5           HB3      GLN   5   1.044   2.594  -5.237
   36    HG2  GLN   5           HG2      GLN   5   2.412   4.404  -3.188
   37    HG3  GLN   5           HG3      GLN   5   1.943   2.717  -2.955
   38   HE21  GLN   5          HE21      GLN   5   3.042   1.076  -4.453
   39   HE22  GLN   5          HE22      GLN   5   4.661   1.439  -5.048
   40    H    CYS   6           H        CYS   6   0.535   3.026  -7.600
   41    HA   CYS   6           HA       CYS   6   2.932   1.754  -8.588
   42    HB2  CYS   6           HB2      CYS   6   0.114   1.562  -9.623
   43    HB3  CYS   6           HB3      CYS   6   1.455   0.486 -10.019
   44    H    CYS   7           H        CYS   7   1.109   4.516  -9.885
   45    HA   CYS   7           HA       CYS   7   2.496   4.195 -12.464
   46    HB2  CYS   7           HB2      CYS   7   0.162   4.906 -12.391
   47    HB3  CYS   7           HB3      CYS   7   0.554   6.313 -11.456
   48    H    THR   8           H        THR   8   2.833   6.171  -9.512
   49    HA   THR   8           HA       THR   8   4.970   7.837 -10.710
   50    HB   THR   8           HB       THR   8   5.049   9.050  -8.665
   51    HG1  THR   8           HG1      THR   8   2.967   7.624  -7.482
   52   HG21  THR   8          HG21      THR   8   2.787   9.919  -8.527
   53   HG22  THR   8          HG22      THR   8   2.148   8.483  -9.364
   54   HG23  THR   8          HG23      THR   8   3.242   9.596 -10.219
   55    H    SER   9           H        SER   9   4.697   5.070  -8.513
   56    HA   SER   9           HA       SER   9   7.642   4.798  -8.662
   57    HB2  SER   9           HB2      SER   9   6.853   5.672  -6.379
   58    HB3  SER   9           HB3      SER   9   6.076   4.097  -6.181
   59    HG   SER   9           HG       SER   9   8.258   4.285  -5.310
   60    H    ILE  10           H        ILE  10   7.815   2.380  -7.354
   61    HA   ILE  10           HA       ILE  10   6.719   0.593  -9.414
   62    HB   ILE  10           HB       ILE  10   8.299  -1.088  -8.365
   63   HG12  ILE  10          HG12      ILE  10  10.379   0.161  -7.351
   64   HG13  ILE  10          HG13      ILE  10   9.244   1.379  -6.801
   65   HG21  ILE  10          HG21      ILE  10   9.550   1.422  -9.454
   66   HG22  ILE  10          HG22      ILE  10  10.156  -0.256  -9.513
   67   HG23  ILE  10          HG23      ILE  10   8.703   0.201 -10.438
   68   HD11  ILE  10          HD11      ILE  10   8.015  -0.357  -5.576
   69   HD12  ILE  10          HD12      ILE  10   9.117  -1.587  -6.292
   70   HD13  ILE  10          HD13      ILE  10   9.743  -0.371  -5.141
   71    H    CYS  11           H        CYS  11   5.662  -1.270  -9.147
   72    HA   CYS  11           HA       CYS  11   4.558  -2.076  -6.507
   73    HB2  CYS  11           HB2      CYS  11   2.999  -1.317  -8.992
   74    HB3  CYS  11           HB3      CYS  11   2.362  -2.441  -7.797
   75    H    SER  12           H        SER  12   3.475  -4.178  -6.623
   76    HA   SER  12           HA       SER  12   4.134  -6.135  -8.701
   77    HB2  SER  12           HB2      SER  12   5.445  -7.549  -7.211
   78    HB3  SER  12           HB3      SER  12   6.214  -5.955  -7.289
   79    HG   SER  12           HG       SER  12   6.082  -6.564  -5.138
   80    H    LEU  13           H        LEU  13   3.513  -8.483  -7.254
   81    HA   LEU  13           HA       LEU  13   0.691  -8.117  -6.707
   82    HB2  LEU  13           HB2      LEU  13   0.748 -10.527  -5.959
   83    HB3  LEU  13           HB3      LEU  13   1.142 -10.195  -7.628
   84    HG   LEU  13           HG       LEU  13   3.504 -10.557  -7.252
   85   HD11  LEU  13          HD11      LEU  13   4.223 -11.636  -5.095
   86   HD12  LEU  13          HD12      LEU  13   2.663 -11.164  -4.383
   87   HD13  LEU  13          HD13      LEU  13   3.832  -9.932  -4.929
   88   HD21  LEU  13          HD21      LEU  13   2.028 -12.421  -7.897
   89   HD22  LEU  13          HD22      LEU  13   1.706 -12.777  -6.184
   90   HD23  LEU  13          HD23      LEU  13   3.343 -12.988  -6.856
   91    H    TYR  14           H        TYR  14   3.384  -7.496  -4.768
   92    HA   TYR  14           HA       TYR  14   2.127  -7.868  -2.192
   93    HB2  TYR  14           HB2      TYR  14   4.664  -7.264  -3.108
   94    HB3  TYR  14           HB3      TYR  14   4.140  -5.701  -2.516
   95    HD1  TYR  14           HD1      TYR  14   4.667  -9.283  -1.731
   96    HD2  TYR  14           HD2      TYR  14   3.937  -5.367  -0.078
   97    HE1  TYR  14           HE1      TYR  14   5.202 -10.148   0.567
   98    HE2  TYR  14           HE2      TYR  14   4.466  -6.225   2.206
   99    HH   TYR  14           HH       TYR  14   5.097  -8.026   3.460
  100    H    GLN  15           H        GLN  15   1.797  -5.434  -4.737
  101    HA   GLN  15           HA       GLN  15   0.062  -3.740  -2.981
  102    HB2  GLN  15           HB2      GLN  15   1.435  -3.264  -5.653
  103    HB3  GLN  15           HB3      GLN  15   0.419  -2.088  -4.828
  104    HG2  GLN  15           HG2      GLN  15   2.770  -3.229  -3.286
  105    HG3  GLN  15           HG3      GLN  15   3.085  -2.152  -4.607
  106   HE21  GLN  15          HE21      GLN  15   1.634  -2.421  -1.369
  107   HE22  GLN  15          HE22      GLN  15   1.410  -0.687  -1.156
  108    H    LEU  16           H        LEU  16   0.168  -5.223  -6.258
  109    HA   LEU  16           HA       LEU  16  -2.419  -4.354  -7.097
  110    HB2  LEU  16           HB2      LEU  16  -0.471  -6.484  -7.984
  111    HB3  LEU  16           HB3      LEU  16  -2.034  -6.247  -8.782
  112    HG   LEU  16           HG       LEU  16  -0.040  -5.283  -9.885
  113   HD11  LEU  16          HD11      LEU  16  -2.586  -4.609 -10.087
  114   HD12  LEU  16          HD12      LEU  16  -1.341  -3.650 -10.860
  115   HD13  LEU  16          HD13      LEU  16  -2.033  -3.129  -9.297
  116   HD21  LEU  16          HD21      LEU  16   1.100  -4.164  -8.091
  117   HD22  LEU  16          HD22      LEU  16  -0.320  -3.140  -7.772
  118   HD23  LEU  16          HD23      LEU  16   0.586  -2.972  -9.293
  119    H    GLU  17           H        GLU  17  -1.566  -7.259  -5.196
  120    HA   GLU  17           HA       GLU  17  -3.957  -8.678  -6.021
  121    HB2  GLU  17           HB2      GLU  17  -1.675  -9.568  -5.123
  122    HB3  GLU  17           HB3      GLU  17  -2.441  -9.372  -3.521
  123    HG2  GLU  17           HG2      GLU  17  -4.377 -10.781  -4.521
  124    HG3  GLU  17           HG3      GLU  17  -3.338 -11.028  -5.926
  125    H    ASN  18           H        ASN  18  -3.638  -6.027  -4.154
  126    HA   ASN  18           HA       ASN  18  -5.931  -6.430  -2.348
  127    HB2  ASN  18           HB2      ASN  18  -4.342  -3.954  -3.202
  128    HB3  ASN  18           HB3      ASN  18  -5.685  -3.905  -2.091
  129   HD21  ASN  18          HD21      ASN  18  -2.328  -4.575  -2.418
  130   HD22  ASN  18          HD22      ASN  18  -2.043  -5.045  -0.737
  131    H    TYR  19           H        TYR  19  -5.538  -5.720  -5.772
  132    HA   TYR  19           HA       TYR  19  -8.063  -4.159  -5.930
  133    HB2  TYR  19           HB2      TYR  19  -6.094  -5.352  -7.880
  134    HB3  TYR  19           HB3      TYR  19  -7.653  -4.769  -8.411
  135    HD1  TYR  19           HD1      TYR  19  -8.255  -2.269  -7.561
  136    HD2  TYR  19           HD2      TYR  19  -4.370  -3.968  -8.227
  137    HE1  TYR  19           HE1      TYR  19  -7.545  -0.196  -8.749
  138    HE2  TYR  19           HE2      TYR  19  -3.769  -2.104  -9.696
  139    HH   TYR  19           HH       TYR  19  -6.103   0.612 -10.322
  140    H    CYS  20           H        CYS  20  -6.958  -7.495  -6.420
  141    HA   CYS  20           HA       CYS  20  -8.963  -8.331  -8.054
  142    HB2  CYS  20           HB2      CYS  20  -7.768 -10.162  -5.992
  143    HB3  CYS  20           HB3      CYS  20  -8.384 -10.546  -7.632
  144    H    ASN  21           H        ASN  21 -10.853  -9.575  -7.868
  145    HA   ASN  21           HA       ASN  21 -12.461  -8.804  -5.615
  146    HB2  ASN  21           HB2      ASN  21 -12.952  -8.439  -8.072
  147    HB3  ASN  21           HB3      ASN  21 -13.100 -10.187  -8.261
  148   HD21  ASN  21          HD21      ASN  21 -15.170  -9.491  -9.170
  149   HD22  ASN  21          HD22      ASN  21 -16.504  -9.255  -8.059
  150    H    SER  22           H        SER  22 -10.611 -10.752  -4.881
  151    HA   SER  22           HA       SER  22 -11.356 -13.471  -5.118
  152    HB2  SER  22           HB2      SER  22  -9.647 -12.151  -2.981
  153    HB3  SER  22           HB3      SER  22  -9.646 -13.868  -3.414
  154    HG   SER  22           HG       SER  22  -7.952 -12.611  -4.468
  155    H1   PHE   1           H1       PHE   1   7.307 -12.659 -11.125
  156    H2   PHE   1           H2       PHE   1   7.568 -12.526 -12.735
  157    H3   PHE   1           H3       PHE   1   6.088 -12.962 -12.183
  158    HA   PHE   1           HA       PHE   1   6.097 -10.666 -12.918
  159    HB2  PHE   1           HB2      PHE   1   5.034  -9.666 -11.008
  160    HB3  PHE   1           HB3      PHE   1   4.551 -11.339 -11.104
  161    HD1  PHE   1           HD1      PHE   1   6.515  -8.844  -9.186
  162    HD2  PHE   1           HD2      PHE   1   5.211 -12.958  -9.353
  163    HE1  PHE   1           HE1      PHE   1   7.261  -9.182  -6.846
  164    HE2  PHE   1           HE2      PHE   1   5.972 -13.284  -7.013
  165    HZ   PHE   1           HZ       PHE   1   7.005 -11.399  -5.759
  166    H    VAL   2           H        VAL   2   6.683  -8.391 -12.240
  167    HA   VAL   2           HA       VAL   2   9.446  -8.128 -11.171
  168    HB   VAL   2           HB       VAL   2   9.900  -6.441 -12.957
  169   HG11  VAL   2          HG11      VAL   2  10.594  -8.038 -14.643
  170   HG12  VAL   2          HG12      VAL   2  10.867  -8.709 -13.029
  171   HG13  VAL   2          HG13      VAL   2   9.481  -9.266 -13.999
  172   HG21  VAL   2          HG21      VAL   2   7.567  -7.706 -14.468
  173   HG22  VAL   2          HG22      VAL   2   7.577  -6.058 -13.790
  174   HG23  VAL   2          HG23      VAL   2   8.706  -6.489 -15.073
  175    H    LYS   3           H        LYS   3   9.908  -6.210 -10.111
  176    HA   LYS   3           HA       LYS   3   7.697  -4.493  -9.243
  177    HB2  LYS   3           HB2      LYS   3  10.703  -4.184  -8.889
  178    HB3  LYS   3           HB3      LYS   3   9.439  -3.203  -8.121
  179    HG2  LYS   3           HG2      LYS   3   8.554  -5.211  -6.973
  180    HG3  LYS   3           HG3      LYS   3   9.788  -6.216  -7.754
  181    HD2  LYS   3           HD2      LYS   3  11.560  -4.803  -6.652
  182    HD3  LYS   3           HD3      LYS   3  10.270  -3.965  -5.760
  183    HE2  LYS   3           HE2      LYS   3   9.510  -6.143  -4.828
  184    HE3  LYS   3           HE3      LYS   3  10.771  -6.973  -5.750
  185    HZ1  LYS   3           HZ1      LYS   3  11.466  -6.582  -3.450
  186    HZ2  LYS   3           HZ2      LYS   3  11.273  -4.976  -3.610
  187    HZ3  LYS   3           HZ3      LYS   3  12.437  -5.745  -4.461
  188    H    GLN   4           H        GLN   4   6.843  -2.949 -10.469
  189    HA   GLN   4           HA       GLN   4   8.531  -1.422 -12.386
  190    HB2  GLN   4           HB2      GLN   4   7.660  -3.654 -13.327
  191    HB3  GLN   4           HB3      GLN   4   6.056  -2.916 -13.314
  192    HG2  GLN   4           HG2      GLN   4   6.622  -1.390 -15.023
  193    HG3  GLN   4           HG3      GLN   4   8.350  -1.493 -14.674
  194   HE21  GLN   4          HE21      GLN   4   5.827  -4.011 -15.485
  195   HE22  GLN   4          HE22      GLN   4   6.833  -4.726 -16.735
  196    H    HIS   5           H        HIS   5   7.625   0.468 -13.237
  197    HA   HIS   5           HA       HIS   5   5.333   1.627 -11.784
  198    HB2  HIS   5           HB2      HIS   5   6.052   3.717 -13.001
  199    HB3  HIS   5           HB3      HIS   5   7.111   3.090 -11.746
  200    HD1  HIS   5           HD1      HIS   5   9.605   3.074 -12.442
  201    HD2  HIS   5           HD2      HIS   5   6.925   2.675 -15.669
  202    HE1  HIS   5           HE1      HIS   5  11.038   2.948 -14.536
  203    H    LEU   6           H        LEU   6   3.419   1.975 -12.637
  204    HA   LEU   6           HA       LEU   6   2.813   1.528 -15.518
  205    HB2  LEU   6           HB2      LEU   6   1.526  -0.013 -13.227
  206    HB3  LEU   6           HB3      LEU   6   1.296  -0.266 -14.929
  207    HG   LEU   6           HG       LEU   6   3.938  -0.805 -13.623
  208   HD11  LEU   6          HD11      LEU   6   1.680  -2.729 -14.041
  209   HD12  LEU   6          HD12      LEU   6   2.241  -2.085 -12.486
  210   HD13  LEU   6          HD13      LEU   6   3.314  -3.094 -13.461
  211   HD21  LEU   6          HD21      LEU   6   3.871  -0.692 -16.189
  212   HD22  LEU   6          HD22      LEU   6   2.773  -2.100 -16.101
  213   HD23  LEU   6          HD23      LEU   6   4.410  -2.209 -15.471
  214    H    CYS   7           H        CYS   7   1.020   2.580 -16.179
  215    HA   CYS   7           HA       CYS   7  -0.826   3.866 -14.192
  216    HB2  CYS   7           HB2      CYS   7   0.789   5.119 -16.217
  217    HB3  CYS   7           HB3      CYS   7  -0.890   5.213 -16.726
  218    H    GLY   8           H        GLY   8  -2.948   3.289 -14.430
  219    HA2  GLY   8           HA2      GLY   8  -4.920   2.467 -15.310
  220    HA3  GLY   8           HA3      GLY   8  -4.401   3.248 -16.797
  221    H    SER   9           H        SER   9  -4.089   1.972 -18.539
  222    HA   SER   9           HA       SER   9  -4.664  -0.757 -18.721
  223    HB2  SER   9           HB2      SER   9  -2.742   0.895 -20.450
  224    HB3  SER   9           HB3      SER   9  -3.571  -0.596 -20.944
  225    HG   SER   9           HG       SER   9  -4.675   1.266 -21.707
  226    H    HIS  10           H        HIS  10  -1.396   0.731 -18.265
  227    HA   HIS  10           HA       HIS  10   0.001  -1.849 -18.419
  228    HB2  HIS  10           HB2      HIS  10   0.778   0.833 -17.213
  229    HB3  HIS  10           HB3      HIS  10   1.871  -0.528 -17.346
  230    HD1  HIS  10           HD1      HIS  10   1.790  -1.448 -20.242
  231    HD2  HIS  10           HD2      HIS  10   0.728   2.452 -19.130
  232    HE1  HIS  10           HE1      HIS  10   2.029  -0.032 -22.352
  233    H    LEU  11           H        LEU  11  -1.511   0.052 -15.856
  234    HA   LEU  11           HA       LEU  11  -0.283  -1.398 -13.692
  235    HB2  LEU  11           HB2      LEU  11  -1.663   0.955 -13.920
  236    HB3  LEU  11           HB3      LEU  11  -2.958  -0.091 -13.351
  237    HG   LEU  11           HG       LEU  11  -0.317   0.602 -11.989
  238   HD11  LEU  11          HD11      LEU  11  -2.129   2.209 -11.770
  239   HD12  LEU  11          HD12      LEU  11  -1.968   1.323 -10.217
  240   HD13  LEU  11          HD13      LEU  11  -3.264   0.916 -11.331
  241   HD21  LEU  11          HD21      LEU  11  -2.322  -1.515 -11.252
  242   HD22  LEU  11          HD22      LEU  11  -1.190  -0.817 -10.076
  243   HD23  LEU  11          HD23      LEU  11  -0.559  -1.689 -11.470
  244    H    VAL  12           H        VAL  12  -3.292  -1.646 -15.516
  245    HA   VAL  12           HA       VAL  12  -4.296  -4.059 -14.369
  246    HB   VAL  12           HB       VAL  12  -4.651  -2.885 -17.154
  247   HG11  VAL  12          HG11      VAL  12  -6.621  -4.431 -17.346
  248   HG12  VAL  12          HG12      VAL  12  -5.058  -5.238 -17.458
  249   HG13  VAL  12          HG13      VAL  12  -5.985  -5.332 -15.945
  250   HG21  VAL  12          HG21      VAL  12  -6.519  -3.107 -14.762
  251   HG22  VAL  12          HG22      VAL  12  -5.647  -1.638 -15.234
  252   HG23  VAL  12          HG23      VAL  12  -6.875  -2.314 -16.312
  253    H    GLU  13           H        GLU  13  -1.592  -3.666 -16.856
  254    HA   GLU  13           HA       GLU  13  -1.562  -6.446 -17.547
  255    HB2  GLU  13           HB2      GLU  13   0.733  -4.452 -17.467
  256    HB3  GLU  13           HB3      GLU  13   0.751  -6.042 -18.169
  257    HG2  GLU  13           HG2      GLU  13  -1.057  -5.395 -19.744
  258    HG3  GLU  13           HG3      GLU  13  -0.947  -3.757 -19.106
  259    H    ALA  14           H        ALA  14  -0.499  -4.720 -14.638
  260    HA   ALA  14           HA       ALA  14   0.887  -7.160 -13.607
  261    HB1  ALA  14           HB1      ALA  14   0.373  -4.389 -12.467
  262    HB2  ALA  14           HB2      ALA  14   1.211  -5.749 -11.631
  263    HB3  ALA  14           HB3      ALA  14   1.882  -5.013 -13.129
  264    H    LEU  15           H        LEU  15  -1.996  -5.149 -12.792
  265    HA   LEU  15           HA       LEU  15  -3.160  -6.616 -10.819
  266    HB2  LEU  15           HB2      LEU  15  -3.764  -4.442 -12.300
  267    HB3  LEU  15           HB3      LEU  15  -4.863  -5.585 -13.086
  268    HG   LEU  15           HG       LEU  15  -4.745  -4.783 -10.195
  269   HD11  LEU  15          HD11      LEU  15  -6.739  -4.293 -12.419
  270   HD12  LEU  15          HD12      LEU  15  -5.728  -3.094 -11.618
  271   HD13  LEU  15          HD13      LEU  15  -7.034  -3.880 -10.712
  272   HD21  LEU  15          HD21      LEU  15  -5.317  -7.006 -10.106
  273   HD22  LEU  15          HD22      LEU  15  -6.358  -6.897 -11.551
  274   HD23  LEU  15          HD23      LEU  15  -6.837  -6.151 -10.003
  275    H    TYR  16           H        TYR  16  -3.640  -7.128 -14.278
  276    HA   TYR  16           HA       TYR  16  -5.441  -9.337 -14.247
  277    HB2  TYR  16           HB2      TYR  16  -4.835  -7.637 -16.054
  278    HB3  TYR  16           HB3      TYR  16  -3.391  -8.581 -16.377
  279    HD1  TYR  16           HD1      TYR  16  -6.369  -7.718 -17.662
  280    HD2  TYR  16           HD2      TYR  16  -4.204 -11.330 -16.701
  281    HE1  TYR  16           HE1      TYR  16  -7.763  -9.021 -19.291
  282    HE2  TYR  16           HE2      TYR  16  -5.599 -12.612 -18.260
  283    HH   TYR  16           HH       TYR  16  -7.309 -12.546 -19.803
  284    H    LEU  17           H        LEU  17  -1.944  -9.208 -13.895
  285    HA   LEU  17           HA       LEU  17  -1.522 -12.087 -14.416
  286    HB2  LEU  17           HB2      LEU  17   0.081 -10.295 -15.103
  287    HB3  LEU  17           HB3      LEU  17   0.268  -9.780 -13.462
  288    HG   LEU  17           HG       LEU  17   1.229 -11.849 -12.731
  289   HD11  LEU  17          HD11      LEU  17   2.069 -13.503 -14.430
  290   HD12  LEU  17          HD12      LEU  17   1.133 -12.661 -15.682
  291   HD13  LEU  17          HD13      LEU  17   0.303 -13.475 -14.333
  292   HD21  LEU  17          HD21      LEU  17   2.626 -10.642 -15.158
  293   HD22  LEU  17          HD22      LEU  17   3.412 -11.581 -13.867
  294   HD23  LEU  17          HD23      LEU  17   2.664 -10.007 -13.498
  295    H    VAL  18           H        VAL  18  -1.480  -9.724 -11.820
  296    HA   VAL  18           HA       VAL  18  -0.686 -11.324  -9.606
  297    HB   VAL  18           HB       VAL  18  -2.257  -8.715  -9.866
  298   HG11  VAL  18          HG11      VAL  18  -2.796  -9.479  -7.736
  299   HG12  VAL  18          HG12      VAL  18  -1.196 -10.196  -7.454
  300   HG13  VAL  18          HG13      VAL  18  -1.390  -8.438  -7.463
  301   HG21  VAL  18          HG21      VAL  18  -0.276  -7.631 -10.040
  302   HG22  VAL  18          HG22      VAL  18   0.528  -8.619  -8.841
  303   HG23  VAL  18          HG23      VAL  18   0.427  -9.175 -10.498
  304    H    CYS  19           H        CYS  19  -3.873 -10.532 -10.997
  305    HA   CYS  19           HA       CYS  19  -5.312 -12.125  -8.951
  306    HB2  CYS  19           HB2      CYS  19  -6.203 -10.773 -11.507
  307    HB3  CYS  19           HB3      CYS  19  -7.280 -11.510 -10.300
  308    H    GLY  20           H        GLY  20  -4.011 -12.373 -12.168
  309    HA2  GLY  20           HA2      GLY  20  -3.645 -14.044 -13.655
  310    HA3  GLY  20           HA3      GLY  20  -4.186 -15.226 -12.442
  311    H    GLU  21           H        GLU  21  -6.573 -14.733 -11.974
  312    HA   GLU  21           HA       GLU  21  -8.371 -14.597 -14.337
  313    HB2  GLU  21           HB2      GLU  21  -7.971 -17.179 -12.747
  314    HB3  GLU  21           HB3      GLU  21  -9.297 -16.887 -13.877
  315    HG2  GLU  21           HG2      GLU  21  -7.607 -16.543 -15.712
  316    HG3  GLU  21           HG3      GLU  21  -6.348 -17.055 -14.589
  317    H    ARG  22           H        ARG  22  -7.895 -14.226 -10.973
  318    HA   ARG  22           HA       ARG  22 -10.488 -14.948  -9.982
  319    HB2  ARG  22           HB2      ARG  22  -8.195 -13.328  -8.812
  320    HB3  ARG  22           HB3      ARG  22  -9.639 -13.771  -7.897
  321    HG2  ARG  22           HG2      ARG  22  -9.233 -16.145  -8.217
  322    HG3  ARG  22           HG3      ARG  22  -7.831 -15.839  -9.238
  323    HD2  ARG  22           HD2      ARG  22  -8.053 -14.890  -6.355
  324    HD3  ARG  22           HD3      ARG  22  -7.352 -16.443  -6.830
  325    HE   ARG  22           HE       ARG  22  -5.950 -14.648  -8.383
  326   HH11  ARG  22          HH11      ARG  22  -6.409 -14.946  -4.878
  327   HH12  ARG  22          HH12      ARG  22  -4.838 -14.182  -4.587
  328   HH21  ARG  22          HH21      ARG  22  -3.616 -13.609  -6.008
  329   HH22  ARG  22          HH22      ARG  22  -3.921 -13.644  -7.731
  330    H    GLY  23           H        GLY  23  -9.831 -12.260 -11.815
  331    HA2  GLY  23           HA2      GLY  23 -11.194 -10.498 -12.431
  332    HA3  GLY  23           HA3      GLY  23 -12.388 -10.984 -11.244
  333    H    PHE  24           H        PHE  24 -11.823  -8.389 -11.720
  334    HA   PHE  24           HA       PHE  24 -11.000  -7.048  -9.284
  335    HB2  PHE  24           HB2      PHE  24  -9.001  -6.011 -10.256
  336    HB3  PHE  24           HB3      PHE  24  -8.777  -7.727 -10.076
  337    HD1  PHE  24           HD1      PHE  24  -8.966  -4.964 -12.472
  338    HD2  PHE  24           HD2      PHE  24  -8.658  -9.243 -12.031
  339    HE1  PHE  24           HE1      PHE  24  -8.070  -5.145 -14.785
  340    HE2  PHE  24           HE2      PHE  24  -7.946  -9.442 -14.386
  341    HZ   PHE  24           HZ       PHE  24  -7.624  -7.386 -15.769
  342    H    PHE  25           H        PHE  25 -10.778  -4.681  -9.690
  343    HA   PHE  25           HA       PHE  25 -11.478  -3.606 -12.296
  344    HB2  PHE  25           HB2      PHE  25 -13.701  -3.613 -11.268
  345    HB3  PHE  25           HB3      PHE  25 -13.054  -2.866  -9.801
  346    HD1  PHE  25           HD1      PHE  25 -13.876  -0.690  -9.620
  347    HD2  PHE  25           HD2      PHE  25 -12.649  -2.101 -13.500
  348    HE1  PHE  25           HE1      PHE  25 -14.225   1.589 -10.564
  349    HE2  PHE  25           HE2      PHE  25 -12.946   0.177 -14.429
  350    HZ   PHE  25           HZ       PHE  25 -13.742   2.022 -12.964
  351    H    TYR  26           H        TYR  26 -10.360  -1.670 -12.648
  352    HA   TYR  26           HA       TYR  26  -8.104  -1.375 -10.831
  353    HB2  TYR  26           HB2      TYR  26  -7.066  -0.186 -12.816
  354    HB3  TYR  26           HB3      TYR  26  -7.410  -1.889 -12.917
  355    HD1  TYR  26           HD1      TYR  26  -9.242  -2.794 -14.283
  356    HD2  TYR  26           HD2      TYR  26  -8.166   1.385 -14.341
  357    HE1  TYR  26           HE1      TYR  26 -10.569  -2.472 -16.375
  358    HE2  TYR  26           HE2      TYR  26  -9.470   1.700 -16.437
  359    HH   TYR  26           HH       TYR  26 -10.799   0.713 -18.013
  360    H    THR  27           H        THR  27 -10.895   0.313 -10.924
  361    HA   THR  27           HA       THR  27 -11.536   2.446 -10.341
  362    HB   THR  27           HB       THR  27 -11.034   2.783  -7.971
  363    HG1  THR  27           HG1      THR  27  -8.881   2.191  -7.927
  364   HG21  THR  27          HG21      THR  27 -11.491  -0.142  -8.655
  365   HG22  THR  27          HG22      THR  27 -12.722   1.138  -8.528
  366   HG23  THR  27          HG23      THR  27 -11.812   0.647  -7.093
  367    HA   PRO  28           HA       PRO  28  -7.662   4.975 -11.072
  368    HB2  PRO  28           HB2      PRO  28  -7.859   5.850 -13.618
  369    HB3  PRO  28           HB3      PRO  28  -7.299   4.195 -13.228
  370    HG2  PRO  28           HG2      PRO  28 -10.109   5.087 -14.018
  371    HG3  PRO  28           HG3      PRO  28  -9.144   3.741 -14.708
  372    HD2  PRO  28           HD2      PRO  28 -11.023   3.353 -12.738
  373    HD3  PRO  28           HD3      PRO  28  -9.543   2.370 -12.853
  374    H    LYS  29           H        LYS  29 -11.003   5.607 -11.498
  375    HA   LYS  29           HA       LYS  29 -10.771   8.288 -10.295
  376    HB2  LYS  29           HB2      LYS  29 -10.723   8.714 -12.758
  377    HB3  LYS  29           HB3      LYS  29 -12.250   7.869 -12.927
  378    HG2  LYS  29           HG2      LYS  29 -12.669   9.877 -10.905
  379    HG3  LYS  29           HG3      LYS  29 -11.691  10.632 -12.136
  380    HD2  LYS  29           HD2      LYS  29 -13.996  11.054 -12.658
  381    HD3  LYS  29           HD3      LYS  29 -13.364   9.931 -13.880
  382    HE2  LYS  29           HE2      LYS  29 -14.366   8.026 -12.617
  383    HE3  LYS  29           HE3      LYS  29 -14.987   9.150 -11.407
  384    HZ1  LYS  29           HZ1      LYS  29 -16.649   8.518 -13.079
  385    HZ2  LYS  29           HZ2      LYS  29 -15.751   9.159 -14.280
  386    HZ3  LYS  29           HZ3      LYS  29 -16.385  10.132 -13.130
  387    H    THR  30           H        THR  30 -13.101   6.037 -11.772
  388    HA   THR  30           HA       THR  30 -15.193   6.498  -9.832
  389    HB   THR  30           HB       THR  30 -14.850   4.193 -11.774
  390    HG1  THR  30           HG1      THR  30 -16.060   5.481 -13.146
  391   HG21  THR  30          HG21      THR  30 -17.342   5.392 -10.465
  392   HG22  THR  30          HG22      THR  30 -16.663   3.779 -10.125
  393   HG23  THR  30          HG23      THR  30 -17.342   4.132 -11.717
  394    H    ARG  31           H        ARG  31 -15.715   5.391  -8.003
  395    HA   ARG  31           HA       ARG  31 -14.297   2.942  -7.186
  396    HB2  ARG  31           HB2      ARG  31 -13.867   3.996  -4.920
  397    HB3  ARG  31           HB3      ARG  31 -12.827   4.440  -6.261
  398    HG2  ARG  31           HG2      ARG  31 -13.186   6.370  -4.921
  399    HG3  ARG  31           HG3      ARG  31 -13.920   6.615  -6.491
  400    HD2  ARG  31           HD2      ARG  31 -15.315   7.570  -4.802
  401    HD3  ARG  31           HD3      ARG  31 -16.169   6.220  -5.498
  402    HE   ARG  31           HE       ARG  31 -14.708   6.162  -2.865
  403   HH11  ARG  31          HH11      ARG  31 -17.404   4.870  -4.712
  404   HH12  ARG  31          HH12      ARG  31 -18.267   4.410  -3.267
  405   HH21  ARG  31          HH21      ARG  31 -15.806   5.428  -1.109
  406   HH22  ARG  31          HH22      ARG  31 -17.345   4.632  -1.301
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -6.365   5.103  -3.163
    2    H2   GLY   1           H2       GLY   1  -7.379   6.071  -4.023
    3    H3   GLY   1           H3       GLY   1  -5.775   6.392  -3.978
    4    HA2  GLY   1           HA2      GLY   1  -6.962   3.972  -5.171
    5    HA3  GLY   1           HA3      GLY   1  -6.453   5.398  -6.093
    6    H    ILE   2           H        ILE   2  -5.473   2.588  -6.250
    7    HA   ILE   2           HA       ILE   2  -2.777   2.606  -5.043
    8    HB   ILE   2           HB       ILE   2  -3.939   0.540  -4.917
    9   HG12  ILE   2          HG12      ILE   2  -2.038   0.214  -7.278
   10   HG13  ILE   2          HG13      ILE   2  -1.491   0.490  -5.615
   11   HG21  ILE   2          HG21      ILE   2  -5.644   0.888  -6.678
   12   HG22  ILE   2          HG22      ILE   2  -4.380   0.740  -7.929
   13   HG23  ILE   2          HG23      ILE   2  -4.816  -0.632  -6.858
   14   HD11  ILE   2          HD11      ILE   2  -1.287  -1.807  -6.165
   15   HD12  ILE   2          HD12      ILE   2  -2.586  -1.661  -4.955
   16   HD13  ILE   2          HD13      ILE   2  -2.984  -1.956  -6.666
   17    H    VAL   3           H        VAL   3  -4.201   2.891  -8.297
   18    HA   VAL   3           HA       VAL   3  -2.035   2.883  -9.964
   19    HB   VAL   3           HB       VAL   3  -4.059   5.144 -10.111
   20   HG11  VAL   3          HG11      VAL   3  -2.749   3.363 -12.221
   21   HG12  VAL   3          HG12      VAL   3  -3.892   4.694 -12.544
   22   HG13  VAL   3          HG13      VAL   3  -2.299   5.047 -11.868
   23   HG21  VAL   3          HG21      VAL   3  -4.592   2.248 -10.831
   24   HG22  VAL   3          HG22      VAL   3  -5.479   3.226  -9.644
   25   HG23  VAL   3          HG23      VAL   3  -5.575   3.614 -11.361
   26    H    GLU   4           H        GLU   4  -2.951   5.581  -7.765
   27    HA   GLU   4           HA       GLU   4  -1.082   7.418  -8.825
   28    HB2  GLU   4           HB2      GLU   4  -3.015   7.990  -7.372
   29    HB3  GLU   4           HB3      GLU   4  -2.215   7.226  -5.995
   30    HG2  GLU   4           HG2      GLU   4  -0.391   8.883  -6.117
   31    HG3  GLU   4           HG3      GLU   4  -1.089   9.591  -7.570
   32    H    GLN   5           H        GLN   5  -0.707   4.854  -6.425
   33    HA   GLN   5           HA       GLN   5   2.015   5.548  -5.642
   34    HB2  GLN   5           HB2      GLN   5   0.296   4.220  -4.288
   35    HB3  GLN   5           HB3      GLN   5   0.571   2.874  -5.353
   36    HG2  GLN   5           HG2      GLN   5   1.884   2.576  -3.347
   37    HG3  GLN   5           HG3      GLN   5   2.940   2.745  -4.733
   38   HE21  GLN   5          HE21      GLN   5   4.212   4.767  -4.945
   39   HE22  GLN   5          HE22      GLN   5   4.459   5.761  -3.529
   40    H    CYS   6           H        CYS   6   0.510   3.039  -7.617
   41    HA   CYS   6           HA       CYS   6   2.962   1.813  -8.514
   42    HB2  CYS   6           HB2      CYS   6   0.227   1.484  -9.673
   43    HB3  CYS   6           HB3      CYS   6   1.653   0.477  -9.940
   44    H    CYS   7           H        CYS   7   1.111   4.458  -9.987
   45    HA   CYS   7           HA       CYS   7   2.541   4.119 -12.507
   46    HB2  CYS   7           HB2      CYS   7   0.216   4.909 -12.395
   47    HB3  CYS   7           HB3      CYS   7   0.664   6.287 -11.449
   48    H    THR   8           H        THR   8   2.898   6.092  -9.576
   49    HA   THR   8           HA       THR   8   5.071   7.747 -10.699
   50    HB   THR   8           HB       THR   8   5.204   8.730  -8.464
   51    HG1  THR   8           HG1      THR   8   2.908   7.430  -7.625
   52   HG21  THR   8          HG21      THR   8   2.964   9.738  -8.381
   53   HG22  THR   8          HG22      THR   8   2.351   8.489  -9.503
   54   HG23  THR   8          HG23      THR   8   3.582   9.645 -10.046
   55    H    SER   9           H        SER   9   4.684   5.020  -8.463
   56    HA   SER   9           HA       SER   9   7.642   4.637  -8.422
   57    HB2  SER   9           HB2      SER   9   6.010   3.972  -5.990
   58    HB3  SER   9           HB3      SER   9   7.722   4.326  -6.130
   59    HG   SER   9           HG       SER   9   5.673   6.273  -6.515
   60    H    ILE  10           H        ILE  10   8.104   2.366  -7.404
   61    HA   ILE  10           HA       ILE  10   6.846   0.537  -9.227
   62    HB   ILE  10           HB       ILE  10   8.468  -1.120  -8.319
   63   HG12  ILE  10          HG12      ILE  10   9.345   1.269  -6.584
   64   HG13  ILE  10          HG13      ILE  10   8.629  -0.228  -6.003
   65   HG21  ILE  10          HG21      ILE  10   8.824   0.427 -10.256
   66   HG22  ILE  10          HG22      ILE  10   9.622   1.574  -9.170
   67   HG23  ILE  10          HG23      ILE  10  10.334  -0.029  -9.446
   68   HD11  ILE  10          HD11      ILE  10  10.626  -1.465  -6.822
   69   HD12  ILE  10          HD12      ILE  10  11.338   0.099  -7.313
   70   HD13  ILE  10          HD13      ILE  10  10.985  -0.217  -5.607
   71    H    CYS  11           H        CYS  11   5.734  -1.268  -8.983
   72    HA   CYS  11           HA       CYS  11   4.631  -2.109  -6.350
   73    HB2  CYS  11           HB2      CYS  11   3.104  -1.423  -8.872
   74    HB3  CYS  11           HB3      CYS  11   2.451  -2.464  -7.609
   75    H    SER  12           H        SER  12   3.447  -4.185  -6.625
   76    HA   SER  12           HA       SER  12   4.384  -6.230  -8.483
   77    HB2  SER  12           HB2      SER  12   6.343  -6.121  -7.108
   78    HB3  SER  12           HB3      SER  12   5.402  -5.968  -5.623
   79    HG   SER  12           HG       SER  12   6.289  -8.071  -5.947
   80    H    LEU  13           H        LEU  13   3.533  -8.452  -7.120
   81    HA   LEU  13           HA       LEU  13   0.663  -8.080  -6.866
   82    HB2  LEU  13           HB2      LEU  13   0.846 -10.487  -5.752
   83    HB3  LEU  13           HB3      LEU  13   0.915 -10.263  -7.462
   84    HG   LEU  13           HG       LEU  13   3.366 -10.446  -7.456
   85   HD11  LEU  13          HD11      LEU  13   3.965  -9.796  -5.184
   86   HD12  LEU  13          HD12      LEU  13   4.451 -11.464  -5.445
   87   HD13  LEU  13          HD13      LEU  13   2.980 -11.117  -4.508
   88   HD21  LEU  13          HD21      LEU  13   1.905 -12.381  -7.887
   89   HD22  LEU  13          HD22      LEU  13   1.857 -12.744  -6.144
   90   HD23  LEU  13          HD23      LEU  13   3.384 -12.877  -7.050
   91    H    TYR  14           H        TYR  14   3.305  -7.921  -4.690
   92    HA   TYR  14           HA       TYR  14   2.221  -7.833  -2.103
   93    HB2  TYR  14           HB2      TYR  14   4.526  -7.748  -2.485
   94    HB3  TYR  14           HB3      TYR  14   4.395  -6.490  -3.697
   95    HD1  TYR  14           HD1      TYR  14   3.496  -6.877  -0.068
   96    HD2  TYR  14           HD2      TYR  14   5.275  -4.491  -3.167
   97    HE1  TYR  14           HE1      TYR  14   3.978  -5.101   1.604
   98    HE2  TYR  14           HE2      TYR  14   5.796  -2.688  -1.482
   99    HH   TYR  14           HH       TYR  14   4.867  -2.997   1.968
  100    H    GLN  15           H        GLN  15   1.785  -5.390  -4.755
  101    HA   GLN  15           HA       GLN  15   0.048  -3.809  -2.913
  102    HB2  GLN  15           HB2      GLN  15   1.319  -3.102  -5.568
  103    HB3  GLN  15           HB3      GLN  15   0.448  -2.004  -4.488
  104    HG2  GLN  15           HG2      GLN  15   3.018  -3.468  -3.650
  105    HG3  GLN  15           HG3      GLN  15   3.008  -1.977  -4.487
  106   HE21  GLN  15          HE21      GLN  15   1.837  -3.577  -1.462
  107   HE22  GLN  15          HE22      GLN  15   1.832  -2.088  -0.526
  108    H    LEU  16           H        LEU  16   0.168  -5.187  -6.234
  109    HA   LEU  16           HA       LEU  16  -2.480  -4.312  -6.971
  110    HB2  LEU  16           HB2      LEU  16  -0.501  -6.306  -8.055
  111    HB3  LEU  16           HB3      LEU  16  -2.091  -6.049  -8.803
  112    HG   LEU  16           HG       LEU  16  -0.180  -5.008  -9.919
  113   HD11  LEU  16          HD11      LEU  16  -1.436  -3.034 -10.535
  114   HD12  LEU  16          HD12      LEU  16  -2.203  -2.967  -8.936
  115   HD13  LEU  16          HD13      LEU  16  -2.623  -4.247 -10.089
  116   HD21  LEU  16          HD21      LEU  16   1.085  -4.127  -8.075
  117   HD22  LEU  16          HD22      LEU  16  -0.260  -3.052  -7.623
  118   HD23  LEU  16          HD23      LEU  16   0.600  -2.813  -9.162
  119    H    GLU  17           H        GLU  17  -1.477  -7.303  -5.245
  120    HA   GLU  17           HA       GLU  17  -3.877  -8.689  -6.098
  121    HB2  GLU  17           HB2      GLU  17  -1.579  -9.662  -5.292
  122    HB3  GLU  17           HB3      GLU  17  -2.351  -9.599  -3.688
  123    HG2  GLU  17           HG2      GLU  17  -4.307 -10.882  -4.815
  124    HG3  GLU  17           HG3      GLU  17  -3.272 -11.018  -6.230
  125    H    ASN  18           H        ASN  18  -3.524  -6.161  -4.129
  126    HA   ASN  18           HA       ASN  18  -5.769  -6.655  -2.284
  127    HB2  ASN  18           HB2      ASN  18  -4.272  -4.117  -3.102
  128    HB3  ASN  18           HB3      ASN  18  -5.582  -4.135  -1.953
  129   HD21  ASN  18          HD21      ASN  18  -2.222  -4.649  -2.384
  130   HD22  ASN  18          HD22      ASN  18  -1.864  -5.215  -0.752
  131    H    TYR  19           H        TYR  19  -5.458  -5.811  -5.689
  132    HA   TYR  19           HA       TYR  19  -8.031  -4.321  -5.741
  133    HB2  TYR  19           HB2      TYR  19  -6.031  -5.342  -7.757
  134    HB3  TYR  19           HB3      TYR  19  -7.629  -4.840  -8.255
  135    HD1  TYR  19           HD1      TYR  19  -8.403  -2.459  -7.359
  136    HD2  TYR  19           HD2      TYR  19  -4.415  -3.848  -8.074
  137    HE1  TYR  19           HE1      TYR  19  -7.901  -0.353  -8.633
  138    HE2  TYR  19           HE2      TYR  19  -3.978  -1.966  -9.570
  139    HH   TYR  19           HH       TYR  19  -4.936  -0.086 -10.589
  140    H    CYS  20           H        CYS  20  -6.832  -7.603  -6.374
  141    HA   CYS  20           HA       CYS  20  -8.825  -8.522  -7.937
  142    HB2  CYS  20           HB2      CYS  20  -7.633 -10.273  -5.799
  143    HB3  CYS  20           HB3      CYS  20  -8.226 -10.721  -7.422
  144    H    ASN  21           H        ASN  21 -10.771  -9.727  -7.681
  145    HA   ASN  21           HA       ASN  21 -12.348  -8.676  -5.531
  146    HB2  ASN  21           HB2      ASN  21 -12.845  -8.545  -7.994
  147    HB3  ASN  21           HB3      ASN  21 -13.063 -10.302  -8.020
  148   HD21  ASN  21          HD21      ASN  21 -15.130  -9.603  -8.977
  149   HD22  ASN  21          HD22      ASN  21 -16.424  -9.212  -7.863
  150    H    SER  22           H        SER  22 -10.746 -10.437  -4.328
  151    HA   SER  22           HA       SER  22 -11.532 -13.186  -4.216
  152    HB2  SER  22           HB2      SER  22  -9.945 -11.542  -2.218
  153    HB3  SER  22           HB3      SER  22 -10.019 -13.316  -2.295
  154    HG   SER  22           HG       SER  22  -8.181 -12.530  -3.431
  155    H1   PHE   1           H1       PHE   1   8.754 -12.924  -7.812
  156    H2   PHE   1           H2       PHE   1   9.346 -11.483  -7.290
  157    H3   PHE   1           H3       PHE   1   9.945 -12.173  -8.647
  158    HA   PHE   1           HA       PHE   1   7.896 -11.883  -9.821
  159    HB2  PHE   1           HB2      PHE   1   6.547 -12.056  -7.622
  160    HB3  PHE   1           HB3      PHE   1   6.884 -10.350  -7.400
  161    HD1  PHE   1           HD1      PHE   1   5.084 -12.887  -9.417
  162    HD2  PHE   1           HD2      PHE   1   5.775  -8.657  -8.863
  163    HE1  PHE   1           HE1      PHE   1   3.073 -12.372 -10.769
  164    HE2  PHE   1           HE2      PHE   1   3.768  -8.160 -10.232
  165    HZ   PHE   1           HZ       PHE   1   2.402 -10.013 -11.151
  166    H    VAL   2           H        VAL   2   7.322  -9.929 -10.941
  167    HA   VAL   2           HA       VAL   2   9.688  -8.285 -11.187
  168    HB   VAL   2           HB       VAL   2   8.552  -9.194 -13.104
  169   HG11  VAL   2          HG11      VAL   2   6.249  -7.274 -12.601
  170   HG12  VAL   2          HG12      VAL   2   6.478  -8.330 -13.999
  171   HG13  VAL   2          HG13      VAL   2   6.171  -9.034 -12.403
  172   HG21  VAL   2          HG21      VAL   2   8.628  -7.210 -14.512
  173   HG22  VAL   2          HG22      VAL   2   8.516  -6.157 -13.090
  174   HG23  VAL   2          HG23      VAL   2   9.939  -7.194 -13.316
  175    H    LYS   3           H        LYS   3  10.139  -6.437 -10.229
  176    HA   LYS   3           HA       LYS   3   8.009  -4.701  -9.097
  177    HB2  LYS   3           HB2      LYS   3  11.033  -4.450  -8.940
  178    HB3  LYS   3           HB3      LYS   3   9.845  -3.450  -8.092
  179    HG2  LYS   3           HG2      LYS   3   9.026  -5.450  -6.862
  180    HG3  LYS   3           HG3      LYS   3  10.182  -6.466  -7.737
  181    HD2  LYS   3           HD2      LYS   3  12.051  -5.042  -6.781
  182    HD3  LYS   3           HD3      LYS   3  10.826  -4.269  -5.735
  183    HE2  LYS   3           HE2      LYS   3  10.197  -6.522  -4.867
  184    HE3  LYS   3           HE3      LYS   3  11.368  -7.265  -5.959
  185    HZ1  LYS   3           HZ1      LYS   3  12.269  -7.021  -3.709
  186    HZ2  LYS   3           HZ2      LYS   3  12.065  -5.401  -3.746
  187    HZ3  LYS   3           HZ3      LYS   3  13.142  -6.110  -4.749
  188    H    GLN   4           H        GLN   4   7.160  -3.139 -10.254
  189    HA   GLN   4           HA       GLN   4   8.643  -1.641 -12.329
  190    HB2  GLN   4           HB2      GLN   4   6.828  -2.320 -14.017
  191    HB3  GLN   4           HB3      GLN   4   8.108  -3.475 -13.690
  192    HG2  GLN   4           HG2      GLN   4   6.678  -4.865 -12.353
  193    HG3  GLN   4           HG3      GLN   4   5.446  -3.639 -12.248
  194   HE21  GLN   4          HE21      GLN   4   3.949  -5.744 -14.757
  195   HE22  GLN   4          HE22      GLN   4   4.047  -5.484 -13.016
  196    H    HIS   5           H        HIS   5   7.319   0.042 -13.357
  197    HA   HIS   5           HA       HIS   5   5.154   1.047 -11.589
  198    HB2  HIS   5           HB2      HIS   5   5.907   3.304 -11.900
  199    HB3  HIS   5           HB3      HIS   5   7.038   2.279 -11.023
  200    HD1  HIS   5           HD1      HIS   5   8.476   4.685 -11.856
  201    HD2  HIS   5           HD2      HIS   5   7.813   1.511 -14.549
  202    HE1  HIS   5           HE1      HIS   5  10.226   4.923 -13.690
  203    H    LEU   6           H        LEU   6   3.311   1.572 -12.458
  204    HA   LEU   6           HA       LEU   6   2.988   1.728 -15.413
  205    HB2  LEU   6           HB2      LEU   6   1.320  -0.053 -13.657
  206    HB3  LEU   6           HB3      LEU   6   1.459  -0.076 -15.371
  207    HG   LEU   6           HG       LEU   6   2.337  -1.993 -14.738
  208   HD11  LEU   6          HD11      LEU   6   4.341  -2.240 -15.613
  209   HD12  LEU   6          HD12      LEU   6   5.055  -0.875 -14.773
  210   HD13  LEU   6          HD13      LEU   6   4.008  -0.597 -16.178
  211   HD21  LEU   6          HD21      LEU   6   3.925  -0.879 -12.457
  212   HD22  LEU   6          HD22      LEU   6   3.747  -2.563 -12.973
  213   HD23  LEU   6          HD23      LEU   6   2.355  -1.688 -12.370
  214    H    CYS   7           H        CYS   7   1.108   2.664 -16.103
  215    HA   CYS   7           HA       CYS   7  -0.825   3.847 -14.151
  216    HB2  CYS   7           HB2      CYS   7   0.758   5.135 -16.231
  217    HB3  CYS   7           HB3      CYS   7  -0.938   5.219 -16.645
  218    H    GLY   8           H        GLY   8  -2.965   3.350 -14.561
  219    HA2  GLY   8           HA2      GLY   8  -4.876   2.575 -15.594
  220    HA3  GLY   8           HA3      GLY   8  -4.205   3.298 -17.052
  221    H    SER   9           H        SER   9  -3.761   1.946 -18.737
  222    HA   SER   9           HA       SER   9  -4.617  -0.770 -18.707
  223    HB2  SER   9           HB2      SER   9  -2.721   0.598 -20.683
  224    HB3  SER   9           HB3      SER   9  -3.719  -0.825 -21.005
  225    HG   SER   9           HG       SER   9  -5.574   0.472 -20.769
  226    H    HIS  10           H        HIS  10  -1.266   0.543 -18.413
  227    HA   HIS  10           HA       HIS  10  -0.112  -2.168 -18.390
  228    HB2  HIS  10           HB2      HIS  10   1.028   0.531 -17.607
  229    HB3  HIS  10           HB3      HIS  10   1.929  -0.982 -17.514
  230    HD1  HIS  10           HD1      HIS  10   1.888  -2.342 -20.158
  231    HD2  HIS  10           HD2      HIS  10   1.005   1.756 -19.820
  232    HE1  HIS  10           HE1      HIS  10   2.164  -1.362 -22.499
  233    H    LEU  11           H        LEU  11  -1.573   0.010 -16.033
  234    HA   LEU  11           HA       LEU  11  -0.366  -1.402 -13.805
  235    HB2  LEU  11           HB2      LEU  11  -1.163   1.057 -13.910
  236    HB3  LEU  11           HB3      LEU  11  -2.780   0.410 -13.672
  237    HG   LEU  11           HG       LEU  11  -1.280   1.348 -11.671
  238   HD11  LEU  11          HD11      LEU  11  -2.930  -1.183 -11.456
  239   HD12  LEU  11          HD12      LEU  11  -3.562   0.466 -11.605
  240   HD13  LEU  11          HD13      LEU  11  -2.632   0.010 -10.159
  241   HD21  LEU  11          HD21      LEU  11   0.616  -0.158 -11.679
  242   HD22  LEU  11          HD22      LEU  11  -0.422  -1.591 -11.766
  243   HD23  LEU  11          HD23      LEU  11  -0.416  -0.643 -10.318
  244    H    VAL  12           H        VAL  12  -3.480  -1.468 -15.524
  245    HA   VAL  12           HA       VAL  12  -4.505  -3.778 -14.188
  246    HB   VAL  12           HB       VAL  12  -4.970  -2.715 -17.001
  247   HG11  VAL  12          HG11      VAL  12  -5.434  -5.088 -17.198
  248   HG12  VAL  12          HG12      VAL  12  -6.293  -5.102 -15.646
  249   HG13  VAL  12          HG13      VAL  12  -6.974  -4.242 -17.058
  250   HG21  VAL  12          HG21      VAL  12  -6.721  -2.829 -14.507
  251   HG22  VAL  12          HG22      VAL  12  -5.872  -1.384 -15.091
  252   HG23  VAL  12          HG23      VAL  12  -7.165  -2.096 -16.063
  253    H    GLU  13           H        GLU  13  -2.016  -3.438 -16.802
  254    HA   GLU  13           HA       GLU  13  -1.938  -6.230 -17.461
  255    HB2  GLU  13           HB2      GLU  13  -0.979  -4.314 -18.779
  256    HB3  GLU  13           HB3      GLU  13   0.360  -4.266 -17.622
  257    HG2  GLU  13           HG2      GLU  13   1.073  -6.494 -18.255
  258    HG3  GLU  13           HG3      GLU  13  -0.350  -6.684 -19.289
  259    H    ALA  14           H        ALA  14  -0.690  -4.474 -14.673
  260    HA   ALA  14           HA       ALA  14   0.871  -6.796 -13.681
  261    HB1  ALA  14           HB1      ALA  14   1.208  -5.386 -11.738
  262    HB2  ALA  14           HB2      ALA  14   1.613  -4.443 -13.224
  263    HB3  ALA  14           HB3      ALA  14   0.098  -4.144 -12.384
  264    H    LEU  15           H        LEU  15  -2.089  -4.946 -12.767
  265    HA   LEU  15           HA       LEU  15  -3.143  -6.419 -10.741
  266    HB2  LEU  15           HB2      LEU  15  -3.842  -4.284 -12.188
  267    HB3  LEU  15           HB3      LEU  15  -4.914  -5.447 -12.972
  268    HG   LEU  15           HG       LEU  15  -4.773  -4.652 -10.080
  269   HD11  LEU  15          HD11      LEU  15  -7.038  -3.740 -10.597
  270   HD12  LEU  15          HD12      LEU  15  -6.796  -4.214 -12.303
  271   HD13  LEU  15          HD13      LEU  15  -5.764  -2.989 -11.566
  272   HD21  LEU  15          HD21      LEU  15  -6.372  -6.798 -11.428
  273   HD22  LEU  15          HD22      LEU  15  -6.841  -6.054  -9.874
  274   HD23  LEU  15          HD23      LEU  15  -5.313  -6.881  -9.997
  275    H    TYR  16           H        TYR  16  -3.740  -6.983 -14.173
  276    HA   TYR  16           HA       TYR  16  -5.521  -9.239 -13.999
  277    HB2  TYR  16           HB2      TYR  16  -5.103  -7.464 -15.832
  278    HB3  TYR  16           HB3      TYR  16  -3.689  -8.385 -16.309
  279    HD1  TYR  16           HD1      TYR  16  -4.551 -11.168 -16.525
  280    HD2  TYR  16           HD2      TYR  16  -6.691  -7.521 -17.413
  281    HE1  TYR  16           HE1      TYR  16  -6.085 -12.443 -17.936
  282    HE2  TYR  16           HE2      TYR  16  -8.237  -8.823 -18.889
  283    HH   TYR  16           HH       TYR  16  -8.010 -12.389 -19.226
  284    H    LEU  17           H        LEU  17  -2.009  -9.003 -14.013
  285    HA   LEU  17           HA       LEU  17  -1.556 -11.852 -14.584
  286    HB2  LEU  17           HB2      LEU  17  -0.028 -10.027 -15.328
  287    HB3  LEU  17           HB3      LEU  17   0.204  -9.506 -13.693
  288    HG   LEU  17           HG       LEU  17   1.290 -11.537 -13.014
  289   HD11  LEU  17          HD11      LEU  17   0.341 -13.193 -14.577
  290   HD12  LEU  17          HD12      LEU  17   2.100 -13.161 -14.736
  291   HD13  LEU  17          HD13      LEU  17   1.090 -12.353 -15.955
  292   HD21  LEU  17          HD21      LEU  17   3.396 -11.175 -14.241
  293   HD22  LEU  17          HD22      LEU  17   2.611  -9.632 -13.856
  294   HD23  LEU  17          HD23      LEU  17   2.522 -10.281 -15.505
  295    H    VAL  18           H        VAL  18  -1.411  -9.538 -11.954
  296    HA   VAL  18           HA       VAL  18  -0.512 -11.148  -9.781
  297    HB   VAL  18           HB       VAL  18  -2.044  -8.521 -10.070
  298   HG11  VAL  18          HG11      VAL  18  -1.269 -10.038  -7.582
  299   HG12  VAL  18          HG12      VAL  18  -1.315  -8.277  -7.618
  300   HG13  VAL  18          HG13      VAL  18  -2.780  -9.193  -7.984
  301   HG21  VAL  18          HG21      VAL  18   0.445  -8.834 -10.779
  302   HG22  VAL  18          HG22      VAL  18   0.068  -7.505  -9.716
  303   HG23  VAL  18          HG23      VAL  18   0.802  -8.979  -9.088
  304    H    CYS  19           H        CYS  19  -3.717 -10.297 -10.985
  305    HA   CYS  19           HA       CYS  19  -5.121 -12.021  -9.028
  306    HB2  CYS  19           HB2      CYS  19  -6.113 -10.484 -11.433
  307    HB3  CYS  19           HB3      CYS  19  -7.143 -11.320 -10.260
  308    H    GLY  20           H        GLY  20  -3.776 -12.342 -12.236
  309    HA2  GLY  20           HA2      GLY  20  -3.725 -14.025 -13.748
  310    HA3  GLY  20           HA3      GLY  20  -3.887 -15.152 -12.376
  311    H    GLU  21           H        GLU  21  -6.084 -12.760 -13.823
  312    HA   GLU  21           HA       GLU  21  -8.212 -12.772 -14.474
  313    HB2  GLU  21           HB2      GLU  21  -7.008 -14.383 -16.134
  314    HB3  GLU  21           HB3      GLU  21  -8.066 -15.613 -15.439
  315    HG2  GLU  21           HG2      GLU  21 -10.048 -14.271 -16.108
  316    HG3  GLU  21           HG3      GLU  21  -8.986 -12.973 -16.677
  317    H    ARG  22           H        ARG  22  -7.620 -14.046 -11.657
  318    HA   ARG  22           HA       ARG  22 -10.094 -15.392 -10.950
  319    HB2  ARG  22           HB2      ARG  22  -8.124 -13.731  -9.328
  320    HB3  ARG  22           HB3      ARG  22  -9.540 -14.495  -8.617
  321    HG2  ARG  22           HG2      ARG  22  -8.795 -16.709  -9.210
  322    HG3  ARG  22           HG3      ARG  22  -7.388 -16.083 -10.077
  323    HD2  ARG  22           HD2      ARG  22  -7.908 -15.587  -7.110
  324    HD3  ARG  22           HD3      ARG  22  -6.974 -16.961  -7.722
  325    HE   ARG  22           HE       ARG  22  -5.775 -14.802  -8.928
  326   HH11  ARG  22          HH11      ARG  22  -6.354 -15.452  -5.485
  327   HH12  ARG  22          HH12      ARG  22  -4.900 -14.550  -5.056
  328   HH21  ARG  22          HH21      ARG  22  -3.863 -13.756  -8.120
  329   HH22  ARG  22          HH22      ARG  22  -3.683 -13.709  -6.381
  330    H    GLY  23           H        GLY  23  -9.479 -12.123 -11.734
  331    HA2  GLY  23           HA2      GLY  23 -11.202 -10.585 -12.290
  332    HA3  GLY  23           HA3      GLY  23 -12.279 -11.303 -11.096
  333    H    PHE  24           H        PHE  24 -11.732  -8.576 -11.410
  334    HA   PHE  24           HA       PHE  24 -10.731  -7.572  -8.843
  335    HB2  PHE  24           HB2      PHE  24  -8.931  -6.303  -9.914
  336    HB3  PHE  24           HB3      PHE  24  -8.634  -8.027  -9.936
  337    HD1  PHE  24           HD1      PHE  24  -8.945  -5.068 -11.953
  338    HD2  PHE  24           HD2      PHE  24  -8.751  -9.362 -12.040
  339    HE1  PHE  24           HE1      PHE  24  -8.259  -4.985 -14.363
  340    HE2  PHE  24           HE2      PHE  24  -8.225  -9.301 -14.459
  341    HZ   PHE  24           HZ       PHE  24  -7.987  -7.101 -15.618
  342    H    PHE  25           H        PHE  25 -10.668  -5.296  -8.712
  343    HA   PHE  25           HA       PHE  25 -12.479  -3.728 -10.506
  344    HB2  PHE  25           HB2      PHE  25 -13.232  -3.888  -8.163
  345    HB3  PHE  25           HB3      PHE  25 -11.653  -3.378  -7.588
  346    HD1  PHE  25           HD1      PHE  25 -11.016  -1.033  -7.566
  347    HD2  PHE  25           HD2      PHE  25 -14.754  -2.278  -9.314
  348    HE1  PHE  25           HE1      PHE  25 -11.811   1.319  -7.541
  349    HE2  PHE  25           HE2      PHE  25 -15.553   0.072  -9.283
  350    HZ   PHE  25           HZ       PHE  25 -14.098   1.873  -8.377
  351    H    TYR  26           H        TYR  26 -11.561  -1.681 -11.266
  352    HA   TYR  26           HA       TYR  26  -8.671  -1.205 -10.777
  353    HB2  TYR  26           HB2      TYR  26  -8.116  -1.403 -13.169
  354    HB3  TYR  26           HB3      TYR  26  -8.610  -2.896 -12.424
  355    HD1  TYR  26           HD1      TYR  26 -10.617  -4.064 -13.032
  356    HD2  TYR  26           HD2      TYR  26  -9.576  -0.316 -14.881
  357    HE1  TYR  26           HE1      TYR  26 -12.365  -4.451 -14.770
  358    HE2  TYR  26           HE2      TYR  26 -11.305  -0.710 -16.651
  359    HH   TYR  26           HH       TYR  26 -13.380  -3.628 -16.676
  360    H    THR  27           H        THR  27 -11.432   0.414 -10.766
  361    HA   THR  27           HA       THR  27 -11.050   2.558 -12.606
  362    HB   THR  27           HB       THR  27 -12.401   2.622  -9.907
  363    HG1  THR  27           HG1      THR  27 -14.239   2.190 -11.147
  364   HG21  THR  27          HG21      THR  27 -12.089   4.914 -10.733
  365   HG22  THR  27          HG22      THR  27 -13.781   4.438 -10.937
  366   HG23  THR  27          HG23      THR  27 -12.699   4.442 -12.341
  367    HA   PRO  28           HA       PRO  28  -7.598   4.580 -10.462
  368    HB2  PRO  28           HB2      PRO  28  -8.197   6.838 -12.375
  369    HB3  PRO  28           HB3      PRO  28  -6.634   6.052 -11.982
  370    HG2  PRO  28           HG2      PRO  28  -7.931   5.480 -14.281
  371    HG3  PRO  28           HG3      PRO  28  -7.198   4.153 -13.324
  372    HD2  PRO  28           HD2      PRO  28 -10.099   5.078 -13.320
  373    HD3  PRO  28           HD3      PRO  28  -9.431   3.424 -13.520
  374    H    LYS  29           H        LYS  29  -9.084   4.613  -8.606
  375    HA   LYS  29           HA       LYS  29 -10.624   7.001  -7.983
  376    HB2  LYS  29           HB2      LYS  29  -9.868   4.496  -6.431
  377    HB3  LYS  29           HB3      LYS  29 -10.777   5.805  -5.693
  378    HG2  LYS  29           HG2      LYS  29 -11.673   4.328  -8.198
  379    HG3  LYS  29           HG3      LYS  29 -12.189   3.913  -6.565
  380    HD2  LYS  29           HD2      LYS  29 -12.710   6.602  -7.899
  381    HD3  LYS  29           HD3      LYS  29 -13.858   5.267  -7.828
  382    HE2  LYS  29           HE2      LYS  29 -14.091   5.396  -5.464
  383    HE3  LYS  29           HE3      LYS  29 -12.656   6.412  -5.284
  384    HZ1  LYS  29           HZ1      LYS  29 -14.727   7.688  -5.128
  385    HZ2  LYS  29           HZ2      LYS  29 -15.111   7.318  -6.675
  386    HZ3  LYS  29           HZ3      LYS  29 -13.774   8.221  -6.334
  387    H    THR  30           H        THR  30  -8.776   8.411  -8.515
  388    HA   THR  30           HA       THR  30  -6.963   9.073  -6.272
  389    HB   THR  30           HB       THR  30  -6.458  11.090  -7.642
  390    HG1  THR  30           HG1      THR  30  -7.351  11.182  -9.719
  391   HG21  THR  30          HG21      THR  30  -6.352   8.507  -9.272
  392   HG22  THR  30          HG22      THR  30  -5.206   8.960  -7.991
  393   HG23  THR  30          HG23      THR  30  -5.321   9.943  -9.463
  394    H    ARG  31           H        ARG  31 -10.209   9.825  -7.234
  395    HA   ARG  31           HA       ARG  31 -10.644  11.506  -4.824
  396    HB2  ARG  31           HB2      ARG  31 -11.677  12.130  -7.635
  397    HB3  ARG  31           HB3      ARG  31 -12.235  12.903  -6.147
  398    HG2  ARG  31           HG2      ARG  31  -9.931  13.763  -5.727
  399    HG3  ARG  31           HG3      ARG  31  -9.396  13.051  -7.265
  400    HD2  ARG  31           HD2      ARG  31 -11.045  14.414  -8.490
  401    HD3  ARG  31           HD3      ARG  31 -11.586  15.154  -6.985
  402    HE   ARG  31           HE       ARG  31  -9.105  15.684  -8.473
  403   HH11  ARG  31          HH11      ARG  31  -7.850  17.422  -7.897
  404   HH12  ARG  31          HH12      ARG  31  -8.111  18.217  -6.375
  405   HH21  ARG  31          HH21      ARG  31  -9.692  17.575  -5.007
  406   HH22  ARG  31          HH22      ARG  31 -10.722  16.221  -5.409
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -7.371   4.814  -2.906
    2    H2   GLY   1           H2       GLY   1  -5.781   5.166  -2.687
    3    H3   GLY   1           H3       GLY   1  -6.291   3.612  -2.654
    4    HA2  GLY   1           HA2      GLY   1  -6.900   3.686  -4.988
    5    HA3  GLY   1           HA3      GLY   1  -6.375   5.381  -5.021
    6    H    ILE   2           H        ILE   2  -5.405   2.625  -6.257
    7    HA   ILE   2           HA       ILE   2  -2.657   2.501  -5.132
    8    HB   ILE   2           HB       ILE   2  -3.881   0.468  -5.108
    9   HG12  ILE   2          HG12      ILE   2  -1.948   0.252  -7.451
   10   HG13  ILE   2          HG13      ILE   2  -1.418   0.462  -5.774
   11   HG21  ILE   2          HG21      ILE   2  -5.542   0.967  -6.908
   12   HG22  ILE   2          HG22      ILE   2  -4.249   0.848  -8.125
   13   HG23  ILE   2          HG23      ILE   2  -4.747  -0.568  -7.128
   14   HD11  ILE   2          HD11      ILE   2  -2.516  -1.686  -5.180
   15   HD12  ILE   2          HD12      ILE   2  -2.913  -1.947  -6.895
   16   HD13  ILE   2          HD13      ILE   2  -1.212  -1.833  -6.373
   17    H    VAL   3           H        VAL   3  -4.154   2.966  -8.377
   18    HA   VAL   3           HA       VAL   3  -2.044   3.404 -10.002
   19    HB   VAL   3           HB       VAL   3  -4.287   5.437  -9.730
   20   HG11  VAL   3          HG11      VAL   3  -4.084   5.617 -12.185
   21   HG12  VAL   3          HG12      VAL   3  -2.568   6.029 -11.397
   22   HG13  VAL   3          HG13      VAL   3  -2.754   4.435 -12.170
   23   HG21  VAL   3          HG21      VAL   3  -4.421   2.705 -11.052
   24   HG22  VAL   3          HG22      VAL   3  -5.463   3.329  -9.756
   25   HG23  VAL   3          HG23      VAL   3  -5.548   4.007 -11.379
   26    H    GLU   4           H        GLU   4  -2.996   5.706  -7.450
   27    HA   GLU   4           HA       GLU   4  -1.140   7.671  -8.313
   28    HB2  GLU   4           HB2      GLU   4  -3.011   8.157  -6.783
   29    HB3  GLU   4           HB3      GLU   4  -2.264   7.178  -5.510
   30    HG2  GLU   4           HG2      GLU   4  -0.380   8.726  -5.366
   31    HG3  GLU   4           HG3      GLU   4  -0.950   9.621  -6.777
   32    H    GLN   5           H        GLN   5  -0.688   4.795  -6.349
   33    HA   GLN   5           HA       GLN   5   2.033   5.467  -5.492
   34    HB2  GLN   5           HB2      GLN   5   0.377   4.113  -4.154
   35    HB3  GLN   5           HB3      GLN   5   0.493   2.829  -5.314
   36    HG2  GLN   5           HG2      GLN   5   1.898   2.357  -3.372
   37    HG3  GLN   5           HG3      GLN   5   2.845   2.456  -4.846
   38   HE21  GLN   5          HE21      GLN   5   4.175   4.452  -5.190
   39   HE22  GLN   5          HE22      GLN   5   4.688   5.349  -3.769
   40    H    CYS   6           H        CYS   6   0.476   3.092  -7.573
   41    HA   CYS   6           HA       CYS   6   2.949   1.928  -8.539
   42    HB2  CYS   6           HB2      CYS   6   0.123   1.482  -9.486
   43    HB3  CYS   6           HB3      CYS   6   1.530   0.518  -9.936
   44    H    CYS   7           H        CYS   7   1.014   4.560  -9.888
   45    HA   CYS   7           HA       CYS   7   2.478   4.269 -12.440
   46    HB2  CYS   7           HB2      CYS   7   0.129   4.963 -12.404
   47    HB3  CYS   7           HB3      CYS   7   0.500   6.378 -11.477
   48    H    THR   8           H        THR   8   2.793   6.108  -9.418
   49    HA   THR   8           HA       THR   8   4.928   7.839 -10.531
   50    HB   THR   8           HB       THR   8   5.010   8.860  -8.341
   51    HG1  THR   8           HG1      THR   8   2.796   7.550  -7.375
   52   HG21  THR   8          HG21      THR   8   3.339   9.626  -9.955
   53   HG22  THR   8          HG22      THR   8   2.747   9.787  -8.285
   54   HG23  THR   8          HG23      THR   8   2.151   8.463  -9.327
   55    H    SER   9           H        SER   9   4.658   5.051  -8.348
   56    HA   SER   9           HA       SER   9   7.582   4.632  -8.653
   57    HB2  SER   9           HB2      SER   9   7.175   5.610  -6.435
   58    HB3  SER   9           HB3      SER   9   6.130   4.222  -6.034
   59    HG   SER   9           HG       SER   9   8.344   4.064  -5.309
   60    H    ILE  10           H        ILE  10   7.880   2.327  -7.495
   61    HA   ILE  10           HA       ILE  10   6.769   0.589  -9.564
   62    HB   ILE  10           HB       ILE  10   8.636  -0.909  -8.886
   63   HG12  ILE  10          HG12      ILE  10   9.145   1.291  -6.819
   64   HG13  ILE  10          HG13      ILE  10   8.922  -0.422  -6.558
   65   HG21  ILE  10          HG21      ILE  10  10.310   0.463  -9.944
   66   HG22  ILE  10          HG22      ILE  10   8.736   0.854 -10.651
   67   HG23  ILE  10          HG23      ILE  10   9.459   1.958  -9.474
   68   HD11  ILE  10          HD11      ILE  10  11.215   0.174  -6.236
   69   HD12  ILE  10          HD12      ILE  10  11.148  -0.756  -7.757
   70   HD13  ILE  10          HD13      ILE  10  11.283   1.031  -7.769
   71    H    CYS  11           H        CYS  11   5.692  -1.275  -9.367
   72    HA   CYS  11           HA       CYS  11   4.759  -2.132  -6.655
   73    HB2  CYS  11           HB2      CYS  11   3.130  -1.420  -9.086
   74    HB3  CYS  11           HB3      CYS  11   2.521  -2.481  -7.815
   75    H    SER  12           H        SER  12   3.590  -4.179  -6.668
   76    HA   SER  12           HA       SER  12   4.466  -6.350  -8.449
   77    HB2  SER  12           HB2      SER  12   6.364  -5.915  -6.846
   78    HB3  SER  12           HB3      SER  12   5.255  -6.208  -5.500
   79    HG   SER  12           HG       SER  12   6.501  -8.069  -6.138
   80    H    LEU  13           H        LEU  13   3.600  -8.524  -7.210
   81    HA   LEU  13           HA       LEU  13   0.803  -8.355  -6.935
   82    HB2  LEU  13           HB2      LEU  13   2.231 -10.433  -5.305
   83    HB3  LEU  13           HB3      LEU  13   0.789 -10.551  -6.268
   84    HG   LEU  13           HG       LEU  13   2.680 -10.241  -8.263
   85   HD11  LEU  13          HD11      LEU  13   3.995 -11.757  -5.961
   86   HD12  LEU  13          HD12      LEU  13   4.567 -10.238  -6.674
   87   HD13  LEU  13          HD13      LEU  13   4.571 -11.720  -7.635
   88   HD21  LEU  13          HD21      LEU  13   1.925 -12.846  -6.887
   89   HD22  LEU  13          HD22      LEU  13   2.563 -12.675  -8.541
   90   HD23  LEU  13          HD23      LEU  13   0.970 -12.019  -8.136
   91    H    TYR  14           H        TYR  14   3.332  -7.938  -4.545
   92    HA   TYR  14           HA       TYR  14   1.929  -7.863  -2.124
   93    HB2  TYR  14           HB2      TYR  14   4.533  -7.368  -3.069
   94    HB3  TYR  14           HB3      TYR  14   4.054  -5.822  -2.422
   95    HD1  TYR  14           HD1      TYR  14   4.637  -9.393  -1.707
   96    HD2  TYR  14           HD2      TYR  14   3.707  -5.551   0.013
   97    HE1  TYR  14           HE1      TYR  14   5.127 -10.296   0.571
   98    HE2  TYR  14           HE2      TYR  14   4.212  -6.443   2.285
   99    HH   TYR  14           HH       TYR  14   5.220  -9.847   2.826
  100    H    GLN  15           H        GLN  15   1.782  -5.435  -4.724
  101    HA   GLN  15           HA       GLN  15   0.059  -3.709  -3.010
  102    HB2  GLN  15           HB2      GLN  15   1.414  -3.194  -5.679
  103    HB3  GLN  15           HB3      GLN  15   0.569  -2.007  -4.681
  104    HG2  GLN  15           HG2      GLN  15   3.058  -3.518  -3.692
  105    HG3  GLN  15           HG3      GLN  15   3.131  -2.083  -4.618
  106   HE21  GLN  15          HE21      GLN  15   1.777  -3.442  -1.543
  107   HE22  GLN  15          HE22      GLN  15   1.832  -1.900  -0.695
  108    H    LEU  16           H        LEU  16   0.230  -5.285  -6.237
  109    HA   LEU  16           HA       LEU  16  -2.348  -4.395  -7.129
  110    HB2  LEU  16           HB2      LEU  16  -0.404  -6.535  -7.975
  111    HB3  LEU  16           HB3      LEU  16  -1.957  -6.291  -8.799
  112    HG   LEU  16           HG       LEU  16   0.024  -5.354  -9.913
  113   HD11  LEU  16          HD11      LEU  16  -2.511  -4.589 -10.072
  114   HD12  LEU  16          HD12      LEU  16  -1.242  -3.653 -10.840
  115   HD13  LEU  16          HD13      LEU  16  -1.899  -3.143  -9.262
  116   HD21  LEU  16          HD21      LEU  16   1.238  -4.279  -8.134
  117   HD22  LEU  16          HD22      LEU  16  -0.150  -3.235  -7.763
  118   HD23  LEU  16          HD23      LEU  16   0.712  -3.059  -9.305
  119    H    GLU  17           H        GLU  17  -1.480  -7.325  -5.260
  120    HA   GLU  17           HA       GLU  17  -3.903  -8.703  -6.064
  121    HB2  GLU  17           HB2      GLU  17  -1.617  -9.644  -5.197
  122    HB3  GLU  17           HB3      GLU  17  -2.375  -9.475  -3.594
  123    HG2  GLU  17           HG2      GLU  17  -4.330 -10.838  -4.591
  124    HG3  GLU  17           HG3      GLU  17  -3.322 -11.053  -6.027
  125    H    ASN  18           H        ASN  18  -3.528  -6.089  -4.205
  126    HA   ASN  18           HA       ASN  18  -5.800  -6.459  -2.352
  127    HB2  ASN  18           HB2      ASN  18  -4.212  -3.994  -3.230
  128    HB3  ASN  18           HB3      ASN  18  -5.528  -3.948  -2.090
  129   HD21  ASN  18          HD21      ASN  18  -2.189  -4.559  -2.503
  130   HD22  ASN  18          HD22      ASN  18  -1.840  -5.084  -0.851
  131    H    TYR  19           H        TYR  19  -5.421  -5.751  -5.783
  132    HA   TYR  19           HA       TYR  19  -7.905  -4.121  -5.903
  133    HB2  TYR  19           HB2      TYR  19  -5.987  -5.344  -7.888
  134    HB3  TYR  19           HB3      TYR  19  -7.555  -4.772  -8.393
  135    HD1  TYR  19           HD1      TYR  19  -8.182  -2.293  -7.677
  136    HD2  TYR  19           HD2      TYR  19  -4.256  -3.940  -8.165
  137    HE1  TYR  19           HE1      TYR  19  -7.494  -0.272  -8.972
  138    HE2  TYR  19           HE2      TYR  19  -3.662  -2.141  -9.730
  139    HH   TYR  19           HH       TYR  19  -6.063   0.452 -10.595
  140    H    CYS  20           H        CYS  20  -6.879  -7.494  -6.414
  141    HA   CYS  20           HA       CYS  20  -9.015  -8.283  -7.924
  142    HB2  CYS  20           HB2      CYS  20  -7.783 -10.138  -5.901
  143    HB3  CYS  20           HB3      CYS  20  -8.453 -10.511  -7.513
  144    H    ASN  21           H        ASN  21 -11.089  -9.099  -7.552
  145    HA   ASN  21           HA       ASN  21 -12.249  -8.358  -4.995
  146    HB2  ASN  21           HB2      ASN  21 -14.313  -8.497  -5.996
  147    HB3  ASN  21           HB3      ASN  21 -13.306  -8.147  -7.389
  148   HD21  ASN  21          HD21      ASN  21 -12.367 -10.434  -8.375
  149   HD22  ASN  21          HD22      ASN  21 -13.616 -11.640  -8.569
  150    H    SER  22           H        SER  22 -11.001 -11.276  -6.210
  151    HA   SER  22           HA       SER  22 -11.060 -13.500  -5.608
  152    HB2  SER  22           HB2      SER  22 -10.322 -12.024  -3.075
  153    HB3  SER  22           HB3      SER  22  -9.971 -13.738  -3.407
  154    HG   SER  22           HG       SER  22  -8.238 -12.234  -4.008
  155    H1   PHE   1           H1       PHE   1   8.446 -13.466  -9.396
  156    H2   PHE   1           H2       PHE   1   9.436 -12.446  -8.577
  157    H3   PHE   1           H3       PHE   1   9.792 -12.872 -10.115
  158    HA   PHE   1           HA       PHE   1   7.870 -11.750 -10.968
  159    HB2  PHE   1           HB2      PHE   1   6.706 -12.109  -8.623
  160    HB3  PHE   1           HB3      PHE   1   7.388 -10.541  -8.233
  161    HD1  PHE   1           HD1      PHE   1   5.051 -12.408 -10.426
  162    HD2  PHE   1           HD2      PHE   1   6.417  -8.491  -9.236
  163    HE1  PHE   1           HE1      PHE   1   3.072 -11.378 -11.513
  164    HE2  PHE   1           HE2      PHE   1   4.483  -7.470 -10.391
  165    HZ   PHE   1           HZ       PHE   1   2.785  -8.908 -11.507
  166    H    VAL   2           H        VAL   2   7.833  -9.352 -11.365
  167    HA   VAL   2           HA       VAL   2  10.385  -7.999 -10.606
  168    HB   VAL   2           HB       VAL   2  10.513  -7.180 -12.980
  169   HG11  VAL   2          HG11      VAL   2  11.759  -9.119 -13.758
  170   HG12  VAL   2          HG12      VAL   2  12.060  -8.861 -12.035
  171   HG13  VAL   2          HG13      VAL   2  10.962 -10.156 -12.556
  172   HG21  VAL   2          HG21      VAL   2   9.561  -8.494 -14.773
  173   HG22  VAL   2          HG22      VAL   2   8.787  -9.609 -13.633
  174   HG23  VAL   2          HG23      VAL   2   8.232  -7.929 -13.748
  175    H    LYS   3           H        LYS   3  10.380  -5.829 -10.443
  176    HA   LYS   3           HA       LYS   3   7.713  -4.610 -10.057
  177    HB2  LYS   3           HB2      LYS   3  10.417  -3.678  -9.039
  178    HB3  LYS   3           HB3      LYS   3   8.819  -3.100  -8.540
  179    HG2  LYS   3           HG2      LYS   3   8.300  -5.427  -7.729
  180    HG3  LYS   3           HG3      LYS   3   9.977  -5.880  -8.046
  181    HD2  LYS   3           HD2      LYS   3   9.067  -3.697  -6.138
  182    HD3  LYS   3           HD3      LYS   3   9.574  -5.330  -5.686
  183    HE2  LYS   3           HE2      LYS   3  11.824  -4.885  -6.695
  184    HE3  LYS   3           HE3      LYS   3  11.312  -3.229  -7.058
  185    HZ1  LYS   3           HZ1      LYS   3  11.488  -4.396  -4.329
  186    HZ2  LYS   3           HZ2      LYS   3  11.008  -2.870  -4.663
  187    HZ3  LYS   3           HZ3      LYS   3  12.545  -3.330  -4.972
  188    H    GLN   4           H        GLN   4   6.936  -2.960 -11.148
  189    HA   GLN   4           HA       GLN   4   8.679  -1.164 -12.777
  190    HB2  GLN   4           HB2      GLN   4   6.110  -2.433 -13.798
  191    HB3  GLN   4           HB3      GLN   4   7.091  -1.254 -14.638
  192    HG2  GLN   4           HG2      GLN   4   7.456  -3.298 -15.713
  193    HG3  GLN   4           HG3      GLN   4   8.936  -2.932 -14.815
  194   HE21  GLN   4          HE21      GLN   4   5.783  -4.466 -13.780
  195   HE22  GLN   4          HE22      GLN   4   6.606  -5.873 -13.094
  196    H    HIS   5           H        HIS   5   7.660   0.835 -13.335
  197    HA   HIS   5           HA       HIS   5   5.331   1.640 -11.691
  198    HB2  HIS   5           HB2      HIS   5   5.781   3.900 -12.657
  199    HB3  HIS   5           HB3      HIS   5   6.996   3.260 -11.554
  200    HD1  HIS   5           HD1      HIS   5   9.386   3.799 -12.391
  201    HD2  HIS   5           HD2      HIS   5   6.585   3.173 -15.467
  202    HE1  HIS   5           HE1      HIS   5  10.659   4.073 -14.578
  203    H    LEU   6           H        LEU   6   3.375   2.106 -12.610
  204    HA   LEU   6           HA       LEU   6   2.855   1.553 -15.481
  205    HB2  LEU   6           HB2      LEU   6   1.584   0.015 -13.175
  206    HB3  LEU   6           HB3      LEU   6   1.370  -0.268 -14.876
  207    HG   LEU   6           HG       LEU   6   4.018  -0.724 -13.532
  208   HD11  LEU   6          HD11      LEU   6   3.430  -3.039 -13.356
  209   HD12  LEU   6          HD12      LEU   6   1.790  -2.702 -13.949
  210   HD13  LEU   6          HD13      LEU   6   2.346  -2.031 -12.396
  211   HD21  LEU   6          HD21      LEU   6   2.890  -2.053 -16.011
  212   HD22  LEU   6          HD22      LEU   6   4.521  -2.166 -15.375
  213   HD23  LEU   6          HD23      LEU   6   3.986  -0.642 -16.089
  214    H    CYS   7           H        CYS   7   1.091   2.599 -16.180
  215    HA   CYS   7           HA       CYS   7  -0.812   3.874 -14.239
  216    HB2  CYS   7           HB2      CYS   7   0.828   5.139 -16.246
  217    HB3  CYS   7           HB3      CYS   7  -0.841   5.217 -16.775
  218    H    GLY   8           H        GLY   8  -2.915   3.207 -14.508
  219    HA2  GLY   8           HA2      GLY   8  -4.859   2.408 -15.475
  220    HA3  GLY   8           HA3      GLY   8  -4.276   3.173 -16.960
  221    H    SER   9           H        SER   9  -3.994   1.822 -18.663
  222    HA   SER   9           HA       SER   9  -4.503  -0.921 -18.731
  223    HB2  SER   9           HB2      SER   9  -2.659   0.702 -20.547
  224    HB3  SER   9           HB3      SER   9  -3.454  -0.834 -20.968
  225    HG   SER   9           HG       SER   9  -4.610   0.989 -21.772
  226    H    HIS  10           H        HIS  10  -1.264   0.630 -18.295
  227    HA   HIS  10           HA       HIS  10   0.228  -1.885 -18.407
  228    HB2  HIS  10           HB2      HIS  10   0.838   0.802 -17.108
  229    HB3  HIS  10           HB3      HIS  10   1.997  -0.503 -17.245
  230    HD1  HIS  10           HD1      HIS  10   2.650  -1.084 -20.008
  231    HD2  HIS  10           HD2      HIS  10   0.598   2.434 -18.995
  232    HE1  HIS  10           HE1      HIS  10   2.884   0.469 -22.020
  233    H    LEU  11           H        LEU  11  -1.401  -0.016 -15.882
  234    HA   LEU  11           HA       LEU  11  -0.193  -1.455 -13.683
  235    HB2  LEU  11           HB2      LEU  11  -1.438   0.948 -13.938
  236    HB3  LEU  11           HB3      LEU  11  -2.813  -0.005 -13.426
  237    HG   LEU  11           HG       LEU  11  -0.222   0.617 -11.949
  238   HD11  LEU  11          HD11      LEU  11  -2.043   2.208 -11.802
  239   HD12  LEU  11          HD12      LEU  11  -1.907   1.339 -10.240
  240   HD13  LEU  11          HD13      LEU  11  -3.182   0.911 -11.377
  241   HD21  LEU  11          HD21      LEU  11  -0.461  -1.676 -11.449
  242   HD22  LEU  11          HD22      LEU  11  -2.224  -1.519 -11.266
  243   HD23  LEU  11          HD23      LEU  11  -1.126  -0.791 -10.070
  244    H    VAL  12           H        VAL  12  -3.265  -1.596 -15.450
  245    HA   VAL  12           HA       VAL  12  -4.340  -3.950 -14.232
  246    HB   VAL  12           HB       VAL  12  -4.735  -2.782 -17.013
  247   HG11  VAL  12          HG11      VAL  12  -6.777  -4.248 -17.124
  248   HG12  VAL  12          HG12      VAL  12  -5.252  -5.125 -17.279
  249   HG13  VAL  12          HG13      VAL  12  -6.131  -5.155 -15.732
  250   HG21  VAL  12          HG21      VAL  12  -5.611  -1.461 -15.096
  251   HG22  VAL  12          HG22      VAL  12  -6.928  -2.128 -16.072
  252   HG23  VAL  12          HG23      VAL  12  -6.487  -2.883 -14.521
  253    H    GLU  13           H        GLU  13  -1.745  -3.568 -16.721
  254    HA   GLU  13           HA       GLU  13  -1.787  -6.346 -17.482
  255    HB2  GLU  13           HB2      GLU  13  -0.686  -4.402 -18.722
  256    HB3  GLU  13           HB3      GLU  13   0.657  -4.565 -17.585
  257    HG2  GLU  13           HG2      GLU  13   1.046  -6.869 -18.305
  258    HG3  GLU  13           HG3      GLU  13  -0.397  -6.818 -19.335
  259    H    ALA  14           H        ALA  14  -0.528  -4.702 -14.637
  260    HA   ALA  14           HA       ALA  14   0.869  -7.162 -13.675
  261    HB1  ALA  14           HB1      ALA  14   0.396  -4.426 -12.428
  262    HB2  ALA  14           HB2      ALA  14   1.275  -5.799 -11.690
  263    HB3  ALA  14           HB3      ALA  14   1.884  -4.998 -13.175
  264    H    LEU  15           H        LEU  15  -1.991  -5.164 -12.779
  265    HA   LEU  15           HA       LEU  15  -3.116  -6.641 -10.782
  266    HB2  LEU  15           HB2      LEU  15  -3.731  -4.442 -12.211
  267    HB3  LEU  15           HB3      LEU  15  -4.841  -5.560 -13.025
  268    HG   LEU  15           HG       LEU  15  -4.718  -4.832 -10.121
  269   HD11  LEU  15          HD11      LEU  15  -6.979  -3.851 -10.670
  270   HD12  LEU  15          HD12      LEU  15  -6.706  -4.295 -12.369
  271   HD13  LEU  15          HD13      LEU  15  -5.661  -3.109 -11.594
  272   HD21  LEU  15          HD21      LEU  15  -5.328  -7.038 -10.087
  273   HD22  LEU  15          HD22      LEU  15  -6.367  -6.891 -11.531
  274   HD23  LEU  15          HD23      LEU  15  -6.842  -6.161  -9.981
  275    H    TYR  16           H        TYR  16  -3.720  -7.088 -14.225
  276    HA   TYR  16           HA       TYR  16  -5.564  -9.269 -14.146
  277    HB2  TYR  16           HB2      TYR  16  -5.027  -7.535 -15.943
  278    HB3  TYR  16           HB3      TYR  16  -3.602  -8.468 -16.359
  279    HD1  TYR  16           HD1      TYR  16  -6.553  -7.538 -17.562
  280    HD2  TYR  16           HD2      TYR  16  -4.475 -11.225 -16.688
  281    HE1  TYR  16           HE1      TYR  16  -8.001  -8.762 -19.182
  282    HE2  TYR  16           HE2      TYR  16  -5.916 -12.439 -18.269
  283    HH   TYR  16           HH       TYR  16  -8.495 -10.782 -20.165
  284    H    LEU  17           H        LEU  17  -2.056  -9.182 -13.960
  285    HA   LEU  17           HA       LEU  17  -1.707 -12.049 -14.544
  286    HB2  LEU  17           HB2      LEU  17  -0.099 -10.285 -15.252
  287    HB3  LEU  17           HB3      LEU  17   0.150  -9.804 -13.607
  288    HG   LEU  17           HG       LEU  17   1.116 -11.887 -12.946
  289   HD11  LEU  17          HD11      LEU  17   0.068 -13.495 -14.482
  290   HD12  LEU  17          HD12      LEU  17   1.820 -13.564 -14.671
  291   HD13  LEU  17          HD13      LEU  17   0.839 -12.703 -15.881
  292   HD21  LEU  17          HD21      LEU  17   2.555 -10.070 -13.822
  293   HD22  LEU  17          HD22      LEU  17   2.411 -10.735 -15.462
  294   HD23  LEU  17          HD23      LEU  17   3.240 -11.661 -14.198
  295    H    VAL  18           H        VAL  18  -1.554  -9.760 -11.897
  296    HA   VAL  18           HA       VAL  18  -0.764 -11.446  -9.760
  297    HB   VAL  18           HB       VAL  18  -2.061  -8.679  -9.990
  298   HG11  VAL  18          HG11      VAL  18  -1.267 -10.273  -7.523
  299   HG12  VAL  18          HG12      VAL  18  -1.337  -8.512  -7.548
  300   HG13  VAL  18          HG13      VAL  18  -2.809  -9.436  -7.861
  301   HG21  VAL  18          HG21      VAL  18   0.209  -7.960  -9.462
  302   HG22  VAL  18          HG22      VAL  18   0.681  -9.610  -8.994
  303   HG23  VAL  18          HG23      VAL  18   0.404  -9.208 -10.678
  304    H    CYS  19           H        CYS  19  -3.940 -10.562 -11.049
  305    HA   CYS  19           HA       CYS  19  -5.374 -12.115  -8.968
  306    HB2  CYS  19           HB2      CYS  19  -6.240 -10.688 -11.486
  307    HB3  CYS  19           HB3      CYS  19  -7.349 -11.448 -10.323
  308    H    GLY  20           H        GLY  20  -4.107 -12.388 -12.185
  309    HA2  GLY  20           HA2      GLY  20  -3.823 -14.038 -13.702
  310    HA3  GLY  20           HA3      GLY  20  -4.410 -15.216 -12.509
  311    H    GLU  21           H        GLU  21  -6.767 -14.653 -12.014
  312    HA   GLU  21           HA       GLU  21  -8.565 -14.482 -14.381
  313    HB2  GLU  21           HB2      GLU  21  -8.185 -17.071 -12.806
  314    HB3  GLU  21           HB3      GLU  21  -9.513 -16.771 -13.920
  315    HG2  GLU  21           HG2      GLU  21  -7.839 -16.427 -15.772
  316    HG3  GLU  21           HG3      GLU  21  -6.569 -16.953 -14.657
  317    H    ARG  22           H        ARG  22  -8.111 -14.287 -10.964
  318    HA   ARG  22           HA       ARG  22 -10.680 -14.985  -9.989
  319    HB2  ARG  22           HB2      ARG  22  -8.467 -13.198  -8.888
  320    HB3  ARG  22           HB3      ARG  22  -9.924 -13.576  -7.970
  321    HG2  ARG  22           HG2      ARG  22  -9.490 -15.954  -8.064
  322    HG3  ARG  22           HG3      ARG  22  -8.078 -15.731  -9.107
  323    HD2  ARG  22           HD2      ARG  22  -8.310 -14.494  -6.338
  324    HD3  ARG  22           HD3      ARG  22  -7.645 -16.113  -6.619
  325    HE   ARG  22           HE       ARG  22  -6.200 -14.503  -8.353
  326   HH11  ARG  22          HH11      ARG  22  -4.059 -13.679  -7.764
  327   HH12  ARG  22          HH12      ARG  22  -3.724 -13.606  -6.050
  328   HH21  ARG  22          HH21      ARG  22  -6.639 -14.556  -4.838
  329   HH22  ARG  22          HH22      ARG  22  -4.978 -13.997  -4.594
  330    H    GLY  23           H        GLY  23  -9.722 -11.929 -11.352
  331    HA2  GLY  23           HA2      GLY  23 -11.238 -10.358 -12.274
  332    HA3  GLY  23           HA3      GLY  23 -12.513 -10.913 -11.197
  333    H    PHE  24           H        PHE  24 -11.679  -8.269 -11.677
  334    HA   PHE  24           HA       PHE  24 -11.033  -7.029  -9.086
  335    HB2  PHE  24           HB2      PHE  24  -9.034  -5.954 -10.063
  336    HB3  PHE  24           HB3      PHE  24  -8.844  -7.682  -9.930
  337    HD1  PHE  24           HD1      PHE  24  -8.967  -4.871 -12.265
  338    HD2  PHE  24           HD2      PHE  24  -8.783  -9.158 -11.902
  339    HE1  PHE  24           HE1      PHE  24  -8.144  -5.033 -14.604
  340    HE2  PHE  24           HE2      PHE  24  -8.077  -9.330 -14.275
  341    HZ   PHE  24           HZ       PHE  24  -7.755  -7.265 -15.625
  342    H    PHE  25           H        PHE  25 -10.677  -4.607  -9.496
  343    HA   PHE  25           HA       PHE  25 -11.977  -3.481 -11.893
  344    HB2  PHE  25           HB2      PHE  25 -13.706  -3.384 -10.162
  345    HB3  PHE  25           HB3      PHE  25 -12.578  -2.626  -9.041
  346    HD1  PHE  25           HD1      PHE  25 -13.782  -2.079 -12.593
  347    HD2  PHE  25           HD2      PHE  25 -12.834  -0.311  -8.772
  348    HE1  PHE  25           HE1      PHE  25 -14.312   0.167 -13.501
  349    HE2  PHE  25           HE2      PHE  25 -13.411   1.935  -9.677
  350    HZ   PHE  25           HZ       PHE  25 -14.121   2.175 -12.049
  351    H    TYR  26           H        TYR  26 -11.210  -1.289 -12.350
  352    HA   TYR  26           HA       TYR  26  -8.335  -1.267 -11.973
  353    HB2  TYR  26           HB2      TYR  26  -9.711   0.864 -13.544
  354    HB3  TYR  26           HB3      TYR  26  -8.259  -0.044 -13.912
  355    HD1  TYR  26           HD1      TYR  26  -8.803  -2.732 -14.275
  356    HD2  TYR  26           HD2      TYR  26 -11.579   0.521 -14.852
  357    HE1  TYR  26           HE1      TYR  26 -10.194  -4.177 -15.756
  358    HE2  TYR  26           HE2      TYR  26 -12.961  -0.913 -16.326
  359    HH   TYR  26           HH       TYR  26 -13.209  -2.987 -17.288
  360    H    THR  27           H        THR  27 -10.881   0.493 -10.510
  361    HA   THR  27           HA       THR  27 -11.066   2.469  -9.379
  362    HB   THR  27           HB       THR  27  -8.714   1.381  -7.830
  363    HG1  THR  27           HG1      THR  27 -10.188  -0.077  -6.944
  364   HG21  THR  27          HG21      THR  27 -11.439   2.505  -6.988
  365   HG22  THR  27          HG22      THR  27  -9.903   3.397  -6.897
  366   HG23  THR  27          HG23      THR  27 -10.142   1.960  -5.894
  367    HA   PRO  28           HA       PRO  28  -7.425   4.933 -10.891
  368    HB2  PRO  28           HB2      PRO  28  -8.131   5.985 -13.246
  369    HB3  PRO  28           HB3      PRO  28  -7.754   4.239 -13.094
  370    HG2  PRO  28           HG2      PRO  28 -10.509   5.559 -13.019
  371    HG3  PRO  28           HG3      PRO  28  -9.978   4.197 -14.061
  372    HD2  PRO  28           HD2      PRO  28 -11.274   3.845 -11.648
  373    HD3  PRO  28           HD3      PRO  28 -10.082   2.694 -12.307
  374    H    LYS  29           H        LYS  29 -10.456   5.743  -9.765
  375    HA   LYS  29           HA       LYS  29 -10.533   8.582 -10.218
  376    HB2  LYS  29           HB2      LYS  29 -12.471   7.150  -9.679
  377    HB3  LYS  29           HB3      LYS  29 -11.871   6.927  -8.033
  378    HG2  LYS  29           HG2      LYS  29 -12.238   9.244  -7.487
  379    HG3  LYS  29           HG3      LYS  29 -12.410   9.690  -9.187
  380    HD2  LYS  29           HD2      LYS  29 -14.605   9.706  -8.157
  381    HD3  LYS  29           HD3      LYS  29 -14.496   8.449  -9.377
  382    HE2  LYS  29           HE2      LYS  29 -15.676   7.433  -7.651
  383    HE3  LYS  29           HE3      LYS  29 -14.048   6.790  -7.464
  384    HZ1  LYS  29           HZ1      LYS  29 -14.995   7.493  -5.342
  385    HZ2  LYS  29           HZ2      LYS  29 -15.211   9.018  -5.872
  386    HZ3  LYS  29           HZ3      LYS  29 -13.701   8.430  -5.655
  387    H    THR  30           H        THR  30  -8.964   6.687  -7.715
  388    HA   THR  30           HA       THR  30  -7.600   7.151  -6.001
  389    HB   THR  30           HB       THR  30  -5.791   8.733  -6.336
  390    HG1  THR  30           HG1      THR  30  -7.546   9.779  -8.239
  391   HG21  THR  30          HG21      THR  30  -5.718   6.583  -7.551
  392   HG22  THR  30          HG22      THR  30  -4.912   7.889  -8.431
  393   HG23  THR  30          HG23      THR  30  -6.518   7.341  -8.940
  394    H    ARG  31           H        ARG  31 -10.252   8.708  -5.951
  395    HA   ARG  31           HA       ARG  31  -9.709  10.372  -3.541
  396    HB2  ARG  31           HB2      ARG  31 -11.251  11.222  -6.028
  397    HB3  ARG  31           HB3      ARG  31 -11.305  12.075  -4.483
  398    HG2  ARG  31           HG2      ARG  31  -8.879  12.533  -4.606
  399    HG3  ARG  31           HG3      ARG  31  -8.774  11.681  -6.155
  400    HD2  ARG  31           HD2      ARG  31 -10.461  14.156  -5.629
  401    HD3  ARG  31           HD3      ARG  31  -8.873  14.167  -6.381
  402    HE   ARG  31           HE       ARG  31 -11.418  13.444  -7.608
  403   HH11  ARG  31          HH11      ARG  31  -7.960  12.937  -7.962
  404   HH12  ARG  31          HH12      ARG  31  -8.109  12.577  -9.657
  405   HH21  ARG  31          HH21      ARG  31 -11.513  12.968  -9.760
  406   HH22  ARG  31          HH22      ARG  31 -10.051  12.617 -10.642
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -5.912   4.812  -2.656
    2    H2   GLY   1           H2       GLY   1  -7.110   5.738  -3.284
    3    H3   GLY   1           H3       GLY   1  -5.541   6.195  -3.446
    4    HA2  GLY   1           HA2      GLY   1  -6.787   3.817  -4.678
    5    HA3  GLY   1           HA3      GLY   1  -6.374   5.323  -5.531
    6    H    ILE   2           H        ILE   2  -5.399   2.506  -5.977
    7    HA   ILE   2           HA       ILE   2  -2.663   2.417  -4.920
    8    HB   ILE   2           HB       ILE   2  -3.879   0.396  -4.928
    9   HG12  ILE   2          HG12      ILE   2  -2.025   0.200  -7.319
   10   HG13  ILE   2          HG13      ILE   2  -1.437   0.375  -5.653
   11   HG21  ILE   2          HG21      ILE   2  -4.799  -0.625  -6.944
   12   HG22  ILE   2          HG22      ILE   2  -5.590   0.897  -6.638
   13   HG23  ILE   2          HG23      ILE   2  -4.355   0.820  -7.912
   14   HD11  ILE   2          HD11      ILE   2  -1.269  -1.894  -6.317
   15   HD12  ILE   2          HD12      ILE   2  -2.554  -1.790  -5.085
   16   HD13  ILE   2          HD13      ILE   2  -2.973  -1.991  -6.806
   17    H    VAL   3           H        VAL   3  -4.096   2.847  -8.173
   18    HA   VAL   3           HA       VAL   3  -2.099   3.325  -9.877
   19    HB   VAL   3           HB       VAL   3  -4.288   5.386  -9.391
   20   HG11  VAL   3          HG11      VAL   3  -2.677   5.973 -11.175
   21   HG12  VAL   3          HG12      VAL   3  -2.963   4.410 -11.966
   22   HG13  VAL   3          HG13      VAL   3  -4.269   5.613 -11.848
   23   HG21  VAL   3          HG21      VAL   3  -4.602   2.743 -10.882
   24   HG22  VAL   3          HG22      VAL   3  -5.440   3.217  -9.387
   25   HG23  VAL   3          HG23      VAL   3  -5.765   4.083 -10.877
   26    H    GLU   4           H        GLU   4  -2.906   5.604  -7.244
   27    HA   GLU   4           HA       GLU   4  -1.122   7.604  -8.190
   28    HB2  GLU   4           HB2      GLU   4  -2.951   8.029  -6.587
   29    HB3  GLU   4           HB3      GLU   4  -2.094   7.108  -5.341
   30    HG2  GLU   4           HG2      GLU   4  -0.262   8.729  -5.325
   31    HG3  GLU   4           HG3      GLU   4  -0.949   9.576  -6.712
   32    H    GLN   5           H        GLN   5  -0.571   4.765  -6.199
   33    HA   GLN   5           HA       GLN   5   2.213   5.401  -5.521
   34    HB2  GLN   5           HB2      GLN   5   0.316   3.879  -4.321
   35    HB3  GLN   5           HB3      GLN   5   1.061   2.620  -5.276
   36    HG2  GLN   5           HG2      GLN   5   2.476   4.456  -3.291
   37    HG3  GLN   5           HG3      GLN   5   2.020   2.779  -3.005
   38   HE21  GLN   5          HE21      GLN   5   2.991   1.154  -4.659
   39   HE22  GLN   5          HE22      GLN   5   4.638   1.464  -5.194
   40    H    CYS   6           H        CYS   6   0.511   3.042  -7.615
   41    HA   CYS   6           HA       CYS   6   2.917   1.861  -8.662
   42    HB2  CYS   6           HB2      CYS   6   0.097   1.670  -9.690
   43    HB3  CYS   6           HB3      CYS   6   1.448   0.628 -10.130
   44    H    CYS   7           H        CYS   7   0.884   4.511 -10.003
   45    HA   CYS   7           HA       CYS   7   2.249   4.305 -12.579
   46    HB2  CYS   7           HB2      CYS   7  -0.096   5.016 -12.388
   47    HB3  CYS   7           HB3      CYS   7   0.329   6.343 -11.357
   48    H    THR   8           H        THR   8   2.707   6.161  -9.581
   49    HA   THR   8           HA       THR   8   4.775   7.886 -10.803
   50    HB   THR   8           HB       THR   8   4.992   8.919  -8.646
   51    HG1  THR   8           HG1      THR   8   2.836   7.571  -7.536
   52   HG21  THR   8          HG21      THR   8   3.205   9.661 -10.150
   53   HG22  THR   8          HG22      THR   8   2.745   9.861  -8.445
   54   HG23  THR   8          HG23      THR   8   2.071   8.517  -9.403
   55    H    SER   9           H        SER   9   4.642   5.143  -8.507
   56    HA   SER   9           HA       SER   9   7.553   4.763  -8.896
   57    HB2  SER   9           HB2      SER   9   6.215   4.499  -6.192
   58    HB3  SER   9           HB3      SER   9   7.923   4.304  -6.566
   59    HG   SER   9           HG       SER   9   7.447   6.362  -5.653
   60    H    ILE  10           H        ILE  10   8.004   2.519  -7.485
   61    HA   ILE  10           HA       ILE  10   6.861   0.623  -9.297
   62    HB   ILE  10           HB       ILE  10   8.419  -0.987  -8.144
   63   HG12  ILE  10          HG12      ILE  10   9.300   1.516  -6.613
   64   HG13  ILE  10          HG13      ILE  10   8.408   0.174  -5.910
   65   HG21  ILE  10          HG21      ILE  10  10.344   0.018  -9.241
   66   HG22  ILE  10          HG22      ILE  10   8.894   0.418 -10.175
   67   HG23  ILE  10          HG23      ILE  10   9.616   1.640  -9.129
   68   HD11  ILE  10          HD11      ILE  10  10.328  -1.329  -6.428
   69   HD12  ILE  10          HD12      ILE  10  11.215   0.082  -7.073
   70   HD13  ILE  10          HD13      ILE  10  10.752   0.039  -5.367
   71    H    CYS  11           H        CYS  11   5.717  -1.163  -9.075
   72    HA   CYS  11           HA       CYS  11   4.564  -1.988  -6.456
   73    HB2  CYS  11           HB2      CYS  11   3.106  -1.306  -9.036
   74    HB3  CYS  11           HB3      CYS  11   2.429  -2.397  -7.835
   75    H    SER  12           H        SER  12   3.496  -4.110  -6.612
   76    HA   SER  12           HA       SER  12   4.207  -6.057  -8.680
   77    HB2  SER  12           HB2      SER  12   5.472  -7.508  -7.177
   78    HB3  SER  12           HB3      SER  12   6.293  -5.942  -7.297
   79    HG   SER  12           HG       SER  12   5.638  -5.446  -5.264
   80    H    LEU  13           H        LEU  13   3.587  -8.405  -7.378
   81    HA   LEU  13           HA       LEU  13   0.775  -8.221  -6.862
   82    HB2  LEU  13           HB2      LEU  13   1.473 -10.587  -5.623
   83    HB3  LEU  13           HB3      LEU  13   0.995 -10.393  -7.269
   84    HG   LEU  13           HG       LEU  13   3.395 -10.266  -7.962
   85   HD11  LEU  13          HD11      LEU  13   4.411  -9.608  -5.774
   86   HD12  LEU  13          HD12      LEU  13   5.086 -11.123  -6.373
   87   HD13  LEU  13          HD13      LEU  13   3.871 -11.151  -5.080
   88   HD21  LEU  13          HD21      LEU  13   2.507 -12.746  -6.442
   89   HD22  LEU  13          HD22      LEU  13   3.780 -12.686  -7.676
   90   HD23  LEU  13          HD23      LEU  13   2.104 -12.349  -8.125
   91    H    TYR  14           H        TYR  14   3.500  -7.643  -4.798
   92    HA   TYR  14           HA       TYR  14   2.214  -7.942  -2.267
   93    HB2  TYR  14           HB2      TYR  14   4.762  -7.375  -3.201
   94    HB3  TYR  14           HB3      TYR  14   4.283  -5.828  -2.537
   95    HD1  TYR  14           HD1      TYR  14   3.992  -5.604  -0.076
   96    HD2  TYR  14           HD2      TYR  14   4.869  -9.400  -1.909
   97    HE1  TYR  14           HE1      TYR  14   4.538  -6.552   2.167
   98    HE2  TYR  14           HE2      TYR  14   5.426 -10.356   0.341
   99    HH   TYR  14           HH       TYR  14   5.223  -8.392   3.341
  100    H    GLN  15           H        GLN  15   1.723  -5.581  -4.780
  101    HA   GLN  15           HA       GLN  15   0.068  -3.937  -2.895
  102    HB2  GLN  15           HB2      GLN  15   1.304  -2.958  -5.484
  103    HB3  GLN  15           HB3      GLN  15   0.338  -2.061  -4.303
  104    HG2  GLN  15           HG2      GLN  15   2.311  -3.048  -2.673
  105    HG3  GLN  15           HG3      GLN  15   3.197  -2.959  -4.177
  106   HE21  GLN  15          HE21      GLN  15   4.171  -1.483  -2.159
  107   HE22  GLN  15          HE22      GLN  15   3.744   0.212  -2.345
  108    H    LEU  16           H        LEU  16   0.245  -5.173  -6.268
  109    HA   LEU  16           HA       LEU  16  -2.365  -4.374  -7.107
  110    HB2  LEU  16           HB2      LEU  16  -0.393  -6.477  -7.980
  111    HB3  LEU  16           HB3      LEU  16  -1.962  -6.268  -8.777
  112    HG   LEU  16           HG       LEU  16  -0.015  -5.309  -9.935
  113   HD11  LEU  16          HD11      LEU  16  -1.355  -3.676 -10.875
  114   HD12  LEU  16          HD12      LEU  16  -1.975  -3.131  -9.292
  115   HD13  LEU  16          HD13      LEU  16  -2.576  -4.618 -10.032
  116   HD21  LEU  16          HD21      LEU  16   0.634  -2.993  -9.353
  117   HD22  LEU  16          HD22      LEU  16   1.181  -4.185  -8.165
  118   HD23  LEU  16          HD23      LEU  16  -0.228  -3.170  -7.804
  119    H    GLU  17           H        GLU  17  -1.453  -7.298  -5.239
  120    HA   GLU  17           HA       GLU  17  -3.845  -8.719  -6.058
  121    HB2  GLU  17           HB2      GLU  17  -1.543  -9.613  -5.202
  122    HB3  GLU  17           HB3      GLU  17  -2.285  -9.461  -3.599
  123    HG2  GLU  17           HG2      GLU  17  -4.200 -10.909  -4.547
  124    HG3  GLU  17           HG3      GLU  17  -3.230 -11.075  -6.012
  125    H    ASN  18           H        ASN  18  -3.546  -6.099  -4.201
  126    HA   ASN  18           HA       ASN  18  -5.826  -6.544  -2.370
  127    HB2  ASN  18           HB2      ASN  18  -4.253  -4.057  -3.183
  128    HB3  ASN  18           HB3      ASN  18  -5.612  -4.022  -2.087
  129   HD21  ASN  18          HD21      ASN  18  -2.252  -4.728  -2.415
  130   HD22  ASN  18          HD22      ASN  18  -1.972  -5.218  -0.742
  131    H    TYR  19           H        TYR  19  -5.447  -5.798  -5.789
  132    HA   TYR  19           HA       TYR  19  -7.948  -4.189  -5.904
  133    HB2  TYR  19           HB2      TYR  19  -6.003  -5.370  -7.890
  134    HB3  TYR  19           HB3      TYR  19  -7.573  -4.789  -8.401
  135    HD1  TYR  19           HD1      TYR  19  -4.293  -3.950  -8.185
  136    HD2  TYR  19           HD2      TYR  19  -8.218  -2.353  -7.582
  137    HE1  TYR  19           HE1      TYR  19  -3.727  -2.103  -9.682
  138    HE2  TYR  19           HE2      TYR  19  -7.563  -0.259  -8.809
  139    HH   TYR  19           HH       TYR  19  -6.117   0.551 -10.387
  140    H    CYS  20           H        CYS  20  -6.919  -7.539  -6.423
  141    HA   CYS  20           HA       CYS  20  -8.917  -8.399  -7.993
  142    HB2  CYS  20           HB2      CYS  20  -7.939 -10.140  -5.741
  143    HB3  CYS  20           HB3      CYS  20  -8.483 -10.608  -7.380
  144    H    ASN  21           H        ASN  21 -10.964  -9.341  -7.810
  145    HA   ASN  21           HA       ASN  21 -12.515  -8.144  -5.688
  146    HB2  ASN  21           HB2      ASN  21 -12.912  -7.908  -8.144
  147    HB3  ASN  21           HB3      ASN  21 -13.210  -9.645  -8.256
  148   HD21  ASN  21          HD21      ASN  21 -15.240  -9.443  -9.061
  149   HD22  ASN  21          HD22      ASN  21 -16.571  -8.797  -8.116
  150    H    SER  22           H        SER  22 -11.111 -11.155  -5.849
  151    HA   SER  22           HA       SER  22 -12.975 -12.365  -3.899
  152    HB2  SER  22           HB2      SER  22 -13.550 -13.183  -6.249
  153    HB3  SER  22           HB3      SER  22 -11.956 -13.958  -6.285
  154    HG   SER  22           HG       SER  22 -12.580 -15.161  -4.416
  155    H1   PHE   1           H1       PHE   1   8.887 -13.149  -9.015
  156    H2   PHE   1           H2       PHE   1   9.587 -11.923  -8.180
  157    H3   PHE   1           H3       PHE   1  10.109 -12.283  -9.685
  158    HA   PHE   1           HA       PHE   1   8.040 -11.615 -10.662
  159    HB2  PHE   1           HB2      PHE   1   6.765 -12.228  -8.491
  160    HB3  PHE   1           HB3      PHE   1   7.196 -10.628  -7.913
  161    HD1  PHE   1           HD1      PHE   1   5.099 -12.593 -10.208
  162    HD2  PHE   1           HD2      PHE   1   6.240  -8.592  -9.063
  163    HE1  PHE   1           HE1      PHE   1   3.092 -11.690 -11.349
  164    HE2  PHE   1           HE2      PHE   1   4.255  -7.688 -10.263
  165    HZ   PHE   1           HZ       PHE   1   2.662  -9.236 -11.365
  166    H    VAL   2           H        VAL   2   7.703  -9.459 -11.384
  167    HA   VAL   2           HA       VAL   2  10.117  -7.830 -10.951
  168    HB   VAL   2           HB       VAL   2   9.306  -6.563 -12.937
  169   HG11  VAL   2          HG11      VAL   2  10.975  -8.359 -13.091
  170   HG12  VAL   2          HG12      VAL   2   9.690  -9.563 -13.323
  171   HG13  VAL   2          HG13      VAL   2   9.954  -8.300 -14.535
  172   HG21  VAL   2          HG21      VAL   2   7.272  -8.821 -13.263
  173   HG22  VAL   2          HG22      VAL   2   6.867  -7.144 -12.849
  174   HG23  VAL   2          HG23      VAL   2   7.620  -7.508 -14.405
  175    H    LYS   3           H        LYS   3  10.274  -5.959  -9.930
  176    HA   LYS   3           HA       LYS   3   7.850  -4.502  -9.015
  177    HB2  LYS   3           HB2      LYS   3  10.789  -3.970  -8.442
  178    HB3  LYS   3           HB3      LYS   3   9.401  -3.151  -7.716
  179    HG2  LYS   3           HG2      LYS   3   8.648  -5.287  -6.704
  180    HG3  LYS   3           HG3      LYS   3  10.023  -6.126  -7.461
  181    HD2  LYS   3           HD2      LYS   3  11.568  -4.565  -6.195
  182    HD3  LYS   3           HD3      LYS   3  10.140  -4.001  -5.296
  183    HE2  LYS   3           HE2      LYS   3   9.654  -6.356  -4.630
  184    HE3  LYS   3           HE3      LYS   3  11.061  -6.898  -5.563
  185    HZ1  LYS   3           HZ1      LYS   3  12.479  -5.608  -4.049
  186    HZ2  LYS   3           HZ2      LYS   3  11.589  -6.682  -3.194
  187    HZ3  LYS   3           HZ3      LYS   3  11.179  -5.103  -3.186
  188    H    GLN   4           H        GLN   4   7.011  -2.952 -10.229
  189    HA   GLN   4           HA       GLN   4   8.678  -1.290 -12.057
  190    HB2  GLN   4           HB2      GLN   4   7.127  -1.917 -13.965
  191    HB3  GLN   4           HB3      GLN   4   8.340  -3.117 -13.487
  192    HG2  GLN   4           HG2      GLN   4   6.623  -4.414 -12.270
  193    HG3  GLN   4           HG3      GLN   4   5.412  -3.198 -12.660
  194   HE21  GLN   4          HE21      GLN   4   4.443  -5.391 -13.473
  195   HE22  GLN   4          HE22      GLN   4   4.795  -5.772 -15.152
  196    H    HIS   5           H        HIS   5   7.714   0.539 -12.907
  197    HA   HIS   5           HA       HIS   5   5.283   1.503 -11.522
  198    HB2  HIS   5           HB2      HIS   5   5.889   3.683 -12.598
  199    HB3  HIS   5           HB3      HIS   5   6.982   3.076 -11.365
  200    HD1  HIS   5           HD1      HIS   5   9.460   3.361 -12.027
  201    HD2  HIS   5           HD2      HIS   5   6.871   2.799 -15.290
  202    HE1  HIS   5           HE1      HIS   5  10.915   3.470 -14.116
  203    H    LEU   6           H        LEU   6   3.421   1.979 -12.522
  204    HA   LEU   6           HA       LEU   6   2.956   1.454 -15.401
  205    HB2  LEU   6           HB2      LEU   6   1.557  -0.096 -13.184
  206    HB3  LEU   6           HB3      LEU   6   1.400  -0.335 -14.902
  207    HG   LEU   6           HG       LEU   6   3.972  -0.894 -13.458
  208   HD11  LEU   6          HD11      LEU   6   1.685  -2.754 -14.020
  209   HD12  LEU   6          HD12      LEU   6   2.251  -2.186 -12.432
  210   HD13  LEU   6          HD13      LEU   6   3.287  -3.201 -13.435
  211   HD21  LEU   6          HD21      LEU   6   4.577  -2.225 -15.317
  212   HD22  LEU   6          HD22      LEU   6   4.010  -0.719 -16.047
  213   HD23  LEU   6          HD23      LEU   6   2.957  -2.161 -16.019
  214    H    CYS   7           H        CYS   7   1.198   2.487 -16.139
  215    HA   CYS   7           HA       CYS   7  -0.664   3.890 -14.254
  216    HB2  CYS   7           HB2      CYS   7   0.399   4.786 -16.949
  217    HB3  CYS   7           HB3      CYS   7  -0.684   5.700 -15.898
  218    H    GLY   8           H        GLY   8  -2.781   3.274 -14.550
  219    HA2  GLY   8           HA2      GLY   8  -4.742   2.543 -15.526
  220    HA3  GLY   8           HA3      GLY   8  -4.137   3.266 -17.016
  221    H    SER   9           H        SER   9  -3.812   1.917 -18.700
  222    HA   SER   9           HA       SER   9  -4.457  -0.829 -18.732
  223    HB2  SER   9           HB2      SER   9  -2.574   0.710 -20.582
  224    HB3  SER   9           HB3      SER   9  -3.424  -0.792 -20.994
  225    HG   SER   9           HG       SER   9  -5.400   0.330 -20.836
  226    H    HIS  10           H        HIS  10  -1.189   0.645 -18.327
  227    HA   HIS  10           HA       HIS  10   0.239  -1.909 -18.423
  228    HB2  HIS  10           HB2      HIS  10   0.916   0.746 -17.098
  229    HB3  HIS  10           HB3      HIS  10   2.030  -0.592 -17.237
  230    HD1  HIS  10           HD1      HIS  10   2.718  -1.138 -19.992
  231    HD2  HIS  10           HD2      HIS  10   0.696   2.391 -18.980
  232    HE1  HIS  10           HE1      HIS  10   2.971   0.412 -22.006
  233    H    LEU  11           H        LEU  11  -1.397  -0.032 -15.913
  234    HA   LEU  11           HA       LEU  11  -0.255  -1.468 -13.685
  235    HB2  LEU  11           HB2      LEU  11  -1.461   0.947 -13.974
  236    HB3  LEU  11           HB3      LEU  11  -2.865   0.007 -13.507
  237    HG   LEU  11           HG       LEU  11  -0.323   0.580 -11.937
  238   HD11  LEU  11          HD11      LEU  11  -2.092   2.225 -11.810
  239   HD12  LEU  11          HD12      LEU  11  -2.071   1.304 -10.277
  240   HD13  LEU  11          HD13      LEU  11  -3.302   0.960 -11.489
  241   HD21  LEU  11          HD21      LEU  11  -0.621  -1.708 -11.455
  242   HD22  LEU  11          HD22      LEU  11  -2.396  -1.520 -11.342
  243   HD23  LEU  11          HD23      LEU  11  -1.323  -0.831 -10.101
  244    H    VAL  12           H        VAL  12  -3.306  -1.593 -15.496
  245    HA   VAL  12           HA       VAL  12  -4.412  -3.950 -14.296
  246    HB   VAL  12           HB       VAL  12  -4.715  -2.808 -17.097
  247   HG11  VAL  12          HG11      VAL  12  -6.758  -4.279 -17.264
  248   HG12  VAL  12          HG12      VAL  12  -5.232  -5.150 -17.377
  249   HG13  VAL  12          HG13      VAL  12  -6.155  -5.176 -15.852
  250   HG21  VAL  12          HG21      VAL  12  -5.666  -1.490 -15.200
  251   HG22  VAL  12          HG22      VAL  12  -6.925  -2.132 -16.266
  252   HG23  VAL  12          HG23      VAL  12  -6.583  -2.927 -14.710
  253    H    GLU  13           H        GLU  13  -1.771  -3.575 -16.752
  254    HA   GLU  13           HA       GLU  13  -1.832  -6.351 -17.520
  255    HB2  GLU  13           HB2      GLU  13  -0.737  -4.397 -18.758
  256    HB3  GLU  13           HB3      GLU  13   0.623  -4.577 -17.642
  257    HG2  GLU  13           HG2      GLU  13   0.994  -6.869 -18.392
  258    HG3  GLU  13           HG3      GLU  13  -0.470  -6.816 -19.382
  259    H    ALA  14           H        ALA  14  -0.566  -4.719 -14.672
  260    HA   ALA  14           HA       ALA  14   0.807  -7.202 -13.738
  261    HB1  ALA  14           HB1      ALA  14   1.875  -5.092 -13.213
  262    HB2  ALA  14           HB2      ALA  14   0.388  -4.464 -12.488
  263    HB3  ALA  14           HB3      ALA  14   1.228  -5.848 -11.727
  264    H    LEU  15           H        LEU  15  -2.021  -5.159 -12.809
  265    HA   LEU  15           HA       LEU  15  -3.141  -6.616 -10.810
  266    HB2  LEU  15           HB2      LEU  15  -3.770  -4.428 -12.256
  267    HB3  LEU  15           HB3      LEU  15  -4.876  -5.557 -13.055
  268    HG   LEU  15           HG       LEU  15  -4.750  -4.785 -10.152
  269   HD11  LEU  15          HD11      LEU  15  -7.030  -3.857 -10.675
  270   HD12  LEU  15          HD12      LEU  15  -6.750  -4.301 -12.378
  271   HD13  LEU  15          HD13      LEU  15  -5.733  -3.083 -11.598
  272   HD21  LEU  15          HD21      LEU  15  -5.313  -7.016 -10.117
  273   HD22  LEU  15          HD22      LEU  15  -6.389  -6.880 -11.531
  274   HD23  LEU  15          HD23      LEU  15  -6.828  -6.160  -9.957
  275    H    TYR  16           H        TYR  16  -3.736  -7.111 -14.249
  276    HA   TYR  16           HA       TYR  16  -5.592  -9.292 -14.160
  277    HB2  TYR  16           HB2      TYR  16  -5.049  -7.553 -15.961
  278    HB3  TYR  16           HB3      TYR  16  -3.616  -8.488 -16.354
  279    HD1  TYR  16           HD1      TYR  16  -6.584  -7.564 -17.583
  280    HD2  TYR  16           HD2      TYR  16  -4.441 -11.222 -16.753
  281    HE1  TYR  16           HE1      TYR  16  -7.983  -8.784 -19.243
  282    HE2  TYR  16           HE2      TYR  16  -5.827 -12.427 -18.383
  283    HH   TYR  16           HH       TYR  16  -8.438 -10.788 -20.257
  284    H    LEU  17           H        LEU  17  -2.106  -9.231 -13.932
  285    HA   LEU  17           HA       LEU  17  -1.737 -12.099 -14.519
  286    HB2  LEU  17           HB2      LEU  17  -0.137 -10.311 -15.244
  287    HB3  LEU  17           HB3      LEU  17   0.115  -9.832 -13.601
  288    HG   LEU  17           HG       LEU  17   1.097 -11.913 -12.938
  289   HD11  LEU  17          HD11      LEU  17   0.046 -13.523 -14.482
  290   HD12  LEU  17          HD12      LEU  17   1.799 -13.591 -14.664
  291   HD13  LEU  17          HD13      LEU  17   0.818 -12.729 -15.871
  292   HD21  LEU  17          HD21      LEU  17   2.526 -10.100 -13.804
  293   HD22  LEU  17          HD22      LEU  17   2.388 -10.749 -15.449
  294   HD23  LEU  17          HD23      LEU  17   3.218 -11.680 -14.178
  295    H    VAL  18           H        VAL  18  -1.542  -9.768 -11.899
  296    HA   VAL  18           HA       VAL  18  -0.737 -11.420  -9.731
  297    HB   VAL  18           HB       VAL  18  -2.074  -8.675  -9.985
  298   HG11  VAL  18          HG11      VAL  18  -1.292  -8.463  -7.562
  299   HG12  VAL  18          HG12      VAL  18  -2.770  -9.394  -7.854
  300   HG13  VAL  18          HG13      VAL  18  -1.238 -10.232  -7.517
  301   HG21  VAL  18          HG21      VAL  18   0.323  -9.043 -10.781
  302   HG22  VAL  18          HG22      VAL  18   0.229  -7.926  -9.439
  303   HG23  VAL  18          HG23      VAL  18   0.744  -9.604  -9.193
  304    H    CYS  19           H        CYS  19  -3.877 -10.449 -10.959
  305    HA   CYS  19           HA       CYS  19  -5.348 -12.132  -8.989
  306    HB2  CYS  19           HB2      CYS  19  -6.289 -10.433 -11.310
  307    HB3  CYS  19           HB3      CYS  19  -7.341 -11.240 -10.121
  308    H    GLY  20           H        GLY  20  -4.025 -12.410 -12.187
  309    HA2  GLY  20           HA2      GLY  20  -3.985 -14.099 -13.710
  310    HA3  GLY  20           HA3      GLY  20  -4.325 -15.205 -12.377
  311    H    GLU  21           H        GLU  21  -6.258 -12.638 -13.912
  312    HA   GLU  21           HA       GLU  21  -8.341 -12.519 -14.740
  313    HB2  GLU  21           HB2      GLU  21  -7.032 -14.181 -16.326
  314    HB3  GLU  21           HB3      GLU  21  -8.263 -15.328 -15.787
  315    HG2  GLU  21           HG2      GLU  21  -9.999 -13.568 -16.517
  316    HG3  GLU  21           HG3      GLU  21  -8.663 -12.664 -17.211
  317    H    ARG  22           H        ARG  22  -8.058 -14.086 -11.947
  318    HA   ARG  22           HA       ARG  22 -10.687 -15.341 -11.706
  319    HB2  ARG  22           HB2      ARG  22  -8.589 -14.416  -9.731
  320    HB3  ARG  22           HB3      ARG  22 -10.216 -14.696  -9.172
  321    HG2  ARG  22           HG2      ARG  22  -8.954 -16.678  -8.798
  322    HG3  ARG  22           HG3      ARG  22 -10.230 -16.974  -9.976
  323    HD2  ARG  22           HD2      ARG  22  -8.314 -18.181 -10.669
  324    HD3  ARG  22           HD3      ARG  22  -8.502 -16.849 -11.812
  325    HE   ARG  22           HE       ARG  22  -6.770 -15.641 -10.302
  326   HH11  ARG  22          HH11      ARG  22  -6.575 -19.073 -11.017
  327   HH12  ARG  22          HH12      ARG  22  -4.861 -19.120 -10.693
  328   HH21  ARG  22          HH21      ARG  22  -4.645 -15.793  -9.843
  329   HH22  ARG  22          HH22      ARG  22  -3.796 -17.298 -10.055
  330    H    GLY  23           H        GLY  23  -9.575 -12.058 -11.416
  331    HA2  GLY  23           HA2      GLY  23 -11.285 -10.491 -12.339
  332    HA3  GLY  23           HA3      GLY  23 -12.417 -11.091 -11.146
  333    H    PHE  24           H        PHE  24 -11.791  -8.456 -11.538
  334    HA   PHE  24           HA       PHE  24 -10.839  -7.306  -9.031
  335    HB2  PHE  24           HB2      PHE  24  -8.966  -6.133 -10.109
  336    HB3  PHE  24           HB3      PHE  24  -8.701  -7.856 -10.026
  337    HD1  PHE  24           HD1      PHE  24  -8.948  -4.998 -12.254
  338    HD2  PHE  24           HD2      PHE  24  -8.781  -9.298 -12.049
  339    HE1  PHE  24           HE1      PHE  24  -8.133  -5.087 -14.620
  340    HE2  PHE  24           HE2      PHE  24  -8.173  -9.393 -14.444
  341    HZ   PHE  24           HZ       PHE  24  -7.826  -7.278 -15.719
  342    H    PHE  25           H        PHE  25 -10.746  -4.940  -9.158
  343    HA   PHE  25           HA       PHE  25 -12.099  -3.637 -11.471
  344    HB2  PHE  25           HB2      PHE  25 -12.804  -3.286  -8.528
  345    HB3  PHE  25           HB3      PHE  25 -13.140  -2.063  -9.741
  346    HD1  PHE  25           HD1      PHE  25 -14.592  -2.591 -11.733
  347    HD2  PHE  25           HD2      PHE  25 -14.317  -5.173  -8.286
  348    HE1  PHE  25           HE1      PHE  25 -16.741  -3.666 -12.365
  349    HE2  PHE  25           HE2      PHE  25 -16.460  -6.253  -8.926
  350    HZ   PHE  25           HZ       PHE  25 -17.675  -5.505 -10.971
  351    H    TYR  26           H        TYR  26 -10.648  -2.330 -12.299
  352    HA   TYR  26           HA       TYR  26  -8.235  -1.606 -10.841
  353    HB2  TYR  26           HB2      TYR  26  -7.567  -0.718 -13.112
  354    HB3  TYR  26           HB3      TYR  26  -7.920  -2.429 -12.988
  355    HD1  TYR  26           HD1      TYR  26  -9.741  -3.487 -14.100
  356    HD2  TYR  26           HD2      TYR  26  -9.246   0.801 -14.287
  357    HE1  TYR  26           HE1      TYR  26 -11.546  -3.357 -15.807
  358    HE2  TYR  26           HE2      TYR  26 -11.020   0.916 -16.048
  359    HH   TYR  26           HH       TYR  26 -12.749  -2.001 -17.208
  360    H    THR  27           H        THR  27 -11.204  -0.010 -11.252
  361    HA   THR  27           HA       THR  27 -10.584   2.650 -11.714
  362    HB   THR  27           HB       THR  27 -12.693   1.653  -9.773
  363    HG1  THR  27           HG1      THR  27 -13.985   1.412 -11.638
  364   HG21  THR  27          HG21      THR  27 -12.575   4.123  -9.964
  365   HG22  THR  27          HG22      THR  27 -14.057   3.505 -10.712
  366   HG23  THR  27          HG23      THR  27 -12.690   4.003 -11.733
  367    HA   PRO  28           HA       PRO  28  -8.486   3.787  -7.839
  368    HB2  PRO  28           HB2      PRO  28  -8.336   6.504  -8.142
  369    HB3  PRO  28           HB3      PRO  28  -7.307   5.356  -9.054
  370    HG2  PRO  28           HG2      PRO  28  -9.894   6.659  -9.966
  371    HG3  PRO  28           HG3      PRO  28  -8.330   6.563 -10.840
  372    HD2  PRO  28           HD2      PRO  28 -10.360   4.818 -11.315
  373    HD3  PRO  28           HD3      PRO  28  -8.649   4.283 -11.346
  374    H    LYS  29           H        LYS  29  -9.081   4.535  -5.821
  375    HA   LYS  29           HA       LYS  29 -11.760   5.760  -5.389
  376    HB2  LYS  29           HB2      LYS  29 -11.903   3.219  -5.431
  377    HB3  LYS  29           HB3      LYS  29 -10.839   3.197  -4.024
  378    HG2  LYS  29           HG2      LYS  29 -12.577   4.529  -2.764
  379    HG3  LYS  29           HG3      LYS  29 -13.591   4.519  -4.215
  380    HD2  LYS  29           HD2      LYS  29 -14.417   2.851  -2.730
  381    HD3  LYS  29           HD3      LYS  29 -13.648   2.000  -4.075
  382    HE2  LYS  29           HE2      LYS  29 -11.605   1.671  -2.680
  383    HE3  LYS  29           HE3      LYS  29 -12.363   2.566  -1.359
  384    HZ1  LYS  29           HZ1      LYS  29 -12.591   0.162  -1.060
  385    HZ2  LYS  29           HZ2      LYS  29 -13.381   0.005  -2.483
  386    HZ3  LYS  29           HZ3      LYS  29 -14.069   0.821  -1.244
  387    H    THR  30           H        THR  30 -12.031   6.763  -3.410
  388    HA   THR  30           HA       THR  30  -9.802   6.820  -1.441
  389    HB   THR  30           HB       THR  30 -10.361   9.245  -0.994
  390    HG1  THR  30           HG1      THR  30 -12.293   9.376  -2.198
  391   HG21  THR  30          HG21      THR  30  -8.309   8.590  -2.201
  392   HG22  THR  30          HG22      THR  30  -8.953  10.133  -2.772
  393   HG23  THR  30          HG23      THR  30  -9.187   8.668  -3.747
  394    H    ARG  31           H        ARG  31 -10.440   6.641   0.636
  395    HA   ARG  31           HA       ARG  31 -13.264   7.029   1.425
  396    HB2  ARG  31           HB2      ARG  31 -13.358   4.857   2.556
  397    HB3  ARG  31           HB3      ARG  31 -13.216   4.734   0.821
  398    HG2  ARG  31           HG2      ARG  31 -11.724   3.145   1.206
  399    HG3  ARG  31           HG3      ARG  31 -10.567   4.439   1.493
  400    HD2  ARG  31           HD2      ARG  31 -12.218   3.030   3.645
  401    HD3  ARG  31           HD3      ARG  31 -10.562   2.597   3.184
  402    HE   ARG  31           HE       ARG  31 -10.527   5.342   3.786
  403   HH11  ARG  31          HH11      ARG  31  -9.933   6.216   5.637
  404   HH12  ARG  31          HH12      ARG  31  -9.897   5.293   7.119
  405   HH21  ARG  31          HH21      ARG  31 -11.026   2.393   5.626
  406   HH22  ARG  31          HH22      ARG  31 -10.512   3.147   7.113
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -5.636   6.565  -3.965
    2    H2   GLY   1           H2       GLY   1  -6.038   5.298  -3.017
    3    H3   GLY   1           H3       GLY   1  -7.212   6.168  -3.763
    4    HA2  GLY   1           HA2      GLY   1  -6.895   4.069  -4.901
    5    HA3  GLY   1           HA3      GLY   1  -6.469   5.448  -5.937
    6    H    ILE   2           H        ILE   2  -5.504   2.620  -6.014
    7    HA   ILE   2           HA       ILE   2  -2.759   2.614  -4.957
    8    HB   ILE   2           HB       ILE   2  -3.966   0.544  -4.889
    9   HG12  ILE   2          HG12      ILE   2  -1.997   0.298  -7.184
   10   HG13  ILE   2          HG13      ILE   2  -1.495   0.548  -5.504
   11   HG21  ILE   2          HG21      ILE   2  -4.775  -0.583  -6.905
   12   HG22  ILE   2          HG22      ILE   2  -5.621   0.926  -6.661
   13   HG23  ILE   2          HG23      ILE   2  -4.337   0.841  -7.893
   14   HD11  ILE   2          HD11      ILE   2  -2.542  -1.634  -4.899
   15   HD12  ILE   2          HD12      ILE   2  -2.950  -1.900  -6.613
   16   HD13  ILE   2          HD13      ILE   2  -1.247  -1.764  -6.107
   17    H    VAL   3           H        VAL   3  -4.221   2.858  -8.225
   18    HA   VAL   3           HA       VAL   3  -2.211   3.254  -9.928
   19    HB   VAL   3           HB       VAL   3  -4.434   5.309  -9.633
   20   HG11  VAL   3          HG11      VAL   3  -4.324   5.363 -12.110
   21   HG12  VAL   3          HG12      VAL   3  -2.778   5.820 -11.399
   22   HG13  VAL   3          HG13      VAL   3  -2.985   4.191 -12.079
   23   HG21  VAL   3          HG21      VAL   3  -4.618   2.568 -10.935
   24   HG22  VAL   3          HG22      VAL   3  -5.546   3.127  -9.522
   25   HG23  VAL   3          HG23      VAL   3  -5.806   3.857 -11.108
   26    H    GLU   4           H        GLU   4  -3.110   5.716  -7.485
   27    HA   GLU   4           HA       GLU   4  -1.326   7.658  -8.544
   28    HB2  GLU   4           HB2      GLU   4  -3.175   8.187  -7.001
   29    HB3  GLU   4           HB3      GLU   4  -2.318   7.372  -5.678
   30    HG2  GLU   4           HG2      GLU   4  -0.495   8.999  -5.798
   31    HG3  GLU   4           HG3      GLU   4  -1.195   9.739  -7.237
   32    H    GLN   5           H        GLN   5  -0.772   4.984  -6.340
   33    HA   GLN   5           HA       GLN   5   2.014   5.713  -5.781
   34    HB2  GLN   5           HB2      GLN   5   0.315   4.323  -4.306
   35    HB3  GLN   5           HB3      GLN   5   0.840   2.970  -5.253
   36    HG2  GLN   5           HG2      GLN   5   3.011   4.731  -4.083
   37    HG3  GLN   5           HG3      GLN   5   2.075   3.741  -2.975
   38   HE21  GLN   5          HE21      GLN   5   4.337   3.530  -5.783
   39   HE22  GLN   5          HE22      GLN   5   4.657   1.812  -5.517
   40    H    CYS   6           H        CYS   6   0.422   2.988  -7.519
   41    HA   CYS   6           HA       CYS   6   2.883   1.946  -8.500
   42    HB2  CYS   6           HB2      CYS   6   0.198   1.369  -9.604
   43    HB3  CYS   6           HB3      CYS   6   1.702   0.454  -9.777
   44    H    CYS   7           H        CYS   7   0.851   4.465  -9.951
   45    HA   CYS   7           HA       CYS   7   2.191   4.190 -12.527
   46    HB2  CYS   7           HB2      CYS   7  -0.123   4.934 -12.345
   47    HB3  CYS   7           HB3      CYS   7   0.333   6.281 -11.339
   48    H    THR   8           H        THR   8   2.758   6.091  -9.550
   49    HA   THR   8           HA       THR   8   4.819   7.782 -10.888
   50    HB   THR   8           HB       THR   8   4.975   8.964  -8.775
   51    HG1  THR   8           HG1      THR   8   2.744   7.686  -7.734
   52   HG21  THR   8          HG21      THR   8   3.293   9.658 -10.404
   53   HG22  THR   8          HG22      THR   8   2.759   9.975  -8.741
   54   HG23  THR   8          HG23      THR   8   2.088   8.593  -9.650
   55    H    SER   9           H        SER   9   4.518   5.092  -8.667
   56    HA   SER   9           HA       SER   9   7.446   4.742  -8.621
   57    HB2  SER   9           HB2      SER   9   7.153   4.117  -6.122
   58    HB3  SER   9           HB3      SER   9   7.297   5.792  -6.592
   59    HG   SER   9           HG       SER   9   4.999   5.949  -6.470
   60    H    ILE  10           H        ILE  10   7.944   2.590  -7.462
   61    HA   ILE  10           HA       ILE  10   6.796   0.645  -9.207
   62    HB   ILE  10           HB       ILE  10   8.485  -0.876  -8.155
   63   HG12  ILE  10          HG12      ILE  10   9.083   1.602  -6.448
   64   HG13  ILE  10          HG13      ILE  10   8.551   0.027  -5.883
   65   HG21  ILE  10          HG21      ILE  10  10.314   0.257  -9.273
   66   HG22  ILE  10          HG22      ILE  10   8.824   0.653 -10.137
   67   HG23  ILE  10          HG23      ILE  10   9.540   1.845  -9.047
   68   HD11  ILE  10          HD11      ILE  10  10.750  -0.907  -6.737
   69   HD12  ILE  10          HD12      ILE  10  11.220   0.777  -7.126
   70   HD13  ILE  10          HD13      ILE  10  10.899   0.322  -5.450
   71    H    CYS  11           H        CYS  11   5.748  -1.206  -8.932
   72    HA   CYS  11           HA       CYS  11   4.694  -2.064  -6.292
   73    HB2  CYS  11           HB2      CYS  11   3.068  -1.413  -8.760
   74    HB3  CYS  11           HB3      CYS  11   2.489  -2.430  -7.440
   75    H    SER  12           H        SER  12   3.587  -4.229  -6.513
   76    HA   SER  12           HA       SER  12   4.460  -6.045  -8.647
   77    HB2  SER  12           HB2      SER  12   5.695  -7.517  -7.135
   78    HB3  SER  12           HB3      SER  12   6.408  -5.900  -7.061
   79    HG   SER  12           HG       SER  12   6.119  -6.650  -4.969
   80    H    LEU  13           H        LEU  13   3.767  -8.490  -7.649
   81    HA   LEU  13           HA       LEU  13   0.954  -8.284  -7.082
   82    HB2  LEU  13           HB2      LEU  13   1.087 -10.794  -6.741
   83    HB3  LEU  13           HB3      LEU  13   1.518 -10.195  -8.321
   84    HG   LEU  13           HG       LEU  13   3.856 -10.519  -7.933
   85   HD11  LEU  13          HD11      LEU  13   3.055 -11.554  -5.188
   86   HD12  LEU  13          HD12      LEU  13   4.143 -10.194  -5.555
   87   HD13  LEU  13          HD13      LEU  13   4.636 -11.834  -5.955
   88   HD21  LEU  13          HD21      LEU  13   3.838 -12.966  -7.906
   89   HD22  LEU  13          HD22      LEU  13   2.454 -12.363  -8.824
   90   HD23  LEU  13          HD23      LEU  13   2.217 -12.974  -7.172
   91    H    TYR  14           H        TYR  14   3.522  -7.812  -5.016
   92    HA   TYR  14           HA       TYR  14   2.172  -8.661  -2.577
   93    HB2  TYR  14           HB2      TYR  14   4.760  -7.960  -3.293
   94    HB3  TYR  14           HB3      TYR  14   4.230  -6.522  -2.461
   95    HD1  TYR  14           HD1      TYR  14   3.916  -6.622   0.001
   96    HD2  TYR  14           HD2      TYR  14   4.738 -10.175  -2.296
   97    HE1  TYR  14           HE1      TYR  14   4.368  -7.879   2.112
   98    HE2  TYR  14           HE2      TYR  14   5.185 -11.437  -0.181
   99    HH   TYR  14           HH       TYR  14   5.287 -11.355   2.098
  100    H    GLN  15           H        GLN  15   1.725  -6.081  -4.813
  101    HA   GLN  15           HA       GLN  15   0.194  -4.445  -2.836
  102    HB2  GLN  15           HB2      GLN  15   1.674  -3.471  -5.314
  103    HB3  GLN  15           HB3      GLN  15   0.863  -2.509  -4.074
  104    HG2  GLN  15           HG2      GLN  15   2.520  -3.751  -2.429
  105    HG3  GLN  15           HG3      GLN  15   3.442  -4.107  -3.883
  106   HE21  GLN  15          HE21      GLN  15   1.824  -1.219  -2.367
  107   HE22  GLN  15          HE22      GLN  15   3.073  -0.107  -2.913
  108    H    LEU  16           H        LEU  16   0.332  -5.376  -6.306
  109    HA   LEU  16           HA       LEU  16  -2.215  -4.306  -7.104
  110    HB2  LEU  16           HB2      LEU  16  -0.358  -6.452  -8.128
  111    HB3  LEU  16           HB3      LEU  16  -1.923  -6.118  -8.899
  112    HG   LEU  16           HG       LEU  16   0.107  -5.184  -9.974
  113   HD11  LEU  16          HD11      LEU  16  -1.890  -3.070  -9.134
  114   HD12  LEU  16          HD12      LEU  16  -2.326  -4.367 -10.265
  115   HD13  LEU  16          HD13      LEU  16  -1.066  -3.215 -10.705
  116   HD21  LEU  16          HD21      LEU  16   1.312  -4.239  -8.098
  117   HD22  LEU  16          HD22      LEU  16  -0.054  -3.156  -7.720
  118   HD23  LEU  16          HD23      LEU  16   0.868  -2.953  -9.226
  119    H    GLU  17           H        GLU  17  -1.530  -7.306  -5.308
  120    HA   GLU  17           HA       GLU  17  -4.016  -8.523  -6.144
  121    HB2  GLU  17           HB2      GLU  17  -1.811  -9.623  -5.210
  122    HB3  GLU  17           HB3      GLU  17  -2.656  -9.447  -3.650
  123    HG2  GLU  17           HG2      GLU  17  -4.642 -10.625  -4.762
  124    HG3  GLU  17           HG3      GLU  17  -3.641 -10.836  -6.193
  125    H    ASN  18           H        ASN  18  -3.456  -5.958  -4.171
  126    HA   ASN  18           HA       ASN  18  -5.758  -6.205  -2.366
  127    HB2  ASN  18           HB2      ASN  18  -4.047  -3.827  -3.258
  128    HB3  ASN  18           HB3      ASN  18  -5.411  -3.675  -2.189
  129   HD21  ASN  18          HD21      ASN  18  -2.103  -4.579  -2.404
  130   HD22  ASN  18          HD22      ASN  18  -1.887  -5.009  -0.700
  131    H    TYR  19           H        TYR  19  -5.384  -5.528  -5.808
  132    HA   TYR  19           HA       TYR  19  -7.859  -3.896  -5.951
  133    HB2  TYR  19           HB2      TYR  19  -5.956  -5.175  -7.917
  134    HB3  TYR  19           HB3      TYR  19  -7.519  -4.570  -8.421
  135    HD1  TYR  19           HD1      TYR  19  -4.176  -3.787  -8.179
  136    HD2  TYR  19           HD2      TYR  19  -8.114  -2.124  -7.823
  137    HE1  TYR  19           HE1      TYR  19  -3.522  -1.950  -9.707
  138    HE2  TYR  19           HE2      TYR  19  -7.354  -0.080  -9.054
  139    HH   TYR  19           HH       TYR  19  -5.857   0.633 -10.619
  140    H    CYS  20           H        CYS  20  -6.869  -7.307  -6.371
  141    HA   CYS  20           HA       CYS  20  -8.962  -8.100  -7.932
  142    HB2  CYS  20           HB2      CYS  20  -7.745  -9.878  -5.827
  143    HB3  CYS  20           HB3      CYS  20  -8.439 -10.346  -7.399
  144    H    ASN  21           H        ASN  21 -10.840  -9.412  -7.584
  145    HA   ASN  21           HA       ASN  21 -11.931  -9.383  -4.853
  146    HB2  ASN  21           HB2      ASN  21 -14.165  -9.058  -5.774
  147    HB3  ASN  21           HB3      ASN  21 -13.108  -7.716  -6.160
  148   HD21  ASN  21          HD21      ASN  21 -14.705  -7.140  -7.794
  149   HD22  ASN  21          HD22      ASN  21 -14.711  -8.018  -9.318
  150    H    SER  22           H        SER  22 -13.619 -11.056  -4.531
  151    HA   SER  22           HA       SER  22 -13.363 -13.566  -6.060
  152    HB2  SER  22           HB2      SER  22 -12.855 -14.880  -4.030
  153    HB3  SER  22           HB3      SER  22 -11.552 -13.772  -4.486
  154    HG   SER  22           HG       SER  22 -12.027 -13.711  -2.203
  155    H1   PHE   1           H1       PHE   1  10.291 -12.190  -9.736
  156    H2   PHE   1           H2       PHE   1   9.071 -13.054  -9.073
  157    H3   PHE   1           H3       PHE   1   9.739 -11.805  -8.249
  158    HA   PHE   1           HA       PHE   1   8.241 -11.546 -10.771
  159    HB2  PHE   1           HB2      PHE   1   6.904 -12.172  -8.662
  160    HB3  PHE   1           HB3      PHE   1   7.326 -10.585  -8.040
  161    HD1  PHE   1           HD1      PHE   1   6.386  -8.525  -9.122
  162    HD2  PHE   1           HD2      PHE   1   5.277 -12.490 -10.429
  163    HE1  PHE   1           HE1      PHE   1   4.393  -7.595 -10.287
  164    HE2  PHE   1           HE2      PHE   1   3.266 -11.556 -11.541
  165    HZ   PHE   1           HZ       PHE   1   2.808  -9.110 -11.438
  166    H    VAL   2           H        VAL   2   7.840  -9.384 -11.482
  167    HA   VAL   2           HA       VAL   2  10.278  -7.767 -11.100
  168    HB   VAL   2           HB       VAL   2   8.039  -7.521 -13.148
  169   HG11  VAL   2          HG11      VAL   2  10.821  -6.272 -13.042
  170   HG12  VAL   2          HG12      VAL   2   9.688  -6.162 -14.407
  171   HG13  VAL   2          HG13      VAL   2   9.280  -5.397 -12.875
  172   HG21  VAL   2          HG21      VAL   2   9.703  -8.515 -14.715
  173   HG22  VAL   2          HG22      VAL   2  10.810  -8.786 -13.352
  174   HG23  VAL   2          HG23      VAL   2   9.260  -9.647 -13.437
  175    H    LYS   3           H        LYS   3  10.367  -5.992  -9.883
  176    HA   LYS   3           HA       LYS   3   7.936  -4.537  -9.014
  177    HB2  LYS   3           HB2      LYS   3  10.885  -4.038  -8.455
  178    HB3  LYS   3           HB3      LYS   3   9.526  -3.165  -7.725
  179    HG2  LYS   3           HG2      LYS   3   8.693  -5.277  -6.729
  180    HG3  LYS   3           HG3      LYS   3  10.092  -6.148  -7.384
  181    HD2  LYS   3           HD2      LYS   3  10.215  -3.838  -5.412
  182    HD3  LYS   3           HD3      LYS   3  10.348  -5.559  -5.009
  183    HE2  LYS   3           HE2      LYS   3  12.371  -5.733  -6.451
  184    HE3  LYS   3           HE3      LYS   3  12.273  -3.993  -6.789
  185    HZ1  LYS   3           HZ1      LYS   3  12.657  -5.188  -4.094
  186    HZ2  LYS   3           HZ2      LYS   3  12.564  -3.584  -4.405
  187    HZ3  LYS   3           HZ3      LYS   3  13.819  -4.457  -4.975
  188    H    GLN   4           H        GLN   4   7.097  -2.945 -10.172
  189    HA   GLN   4           HA       GLN   4   8.750  -1.235 -11.949
  190    HB2  GLN   4           HB2      GLN   4   7.247  -1.837 -13.903
  191    HB3  GLN   4           HB3      GLN   4   8.442  -3.050 -13.420
  192    HG2  GLN   4           HG2      GLN   4   6.661  -4.332 -12.232
  193    HG3  GLN   4           HG3      GLN   4   5.487  -3.108 -12.692
  194   HE21  GLN   4          HE21      GLN   4   4.580  -5.368 -13.497
  195   HE22  GLN   4          HE22      GLN   4   4.971  -5.737 -15.166
  196    H    HIS   5           H        HIS   5   7.729   0.587 -12.802
  197    HA   HIS   5           HA       HIS   5   5.248   1.437 -11.431
  198    HB2  HIS   5           HB2      HIS   5   5.806   3.684 -12.377
  199    HB3  HIS   5           HB3      HIS   5   6.898   3.042 -11.148
  200    HD1  HIS   5           HD1      HIS   5   9.350   3.566 -11.724
  201    HD2  HIS   5           HD2      HIS   5   6.912   2.904 -15.094
  202    HE1  HIS   5           HE1      HIS   5  10.865   3.818 -13.760
  203    H    LEU   6           H        LEU   6   3.415   1.931 -12.482
  204    HA   LEU   6           HA       LEU   6   3.027   1.502 -15.389
  205    HB2  LEU   6           HB2      LEU   6   1.638  -0.150 -13.267
  206    HB3  LEU   6           HB3      LEU   6   1.518  -0.356 -14.989
  207    HG   LEU   6           HG       LEU   6   4.051  -0.904 -13.465
  208   HD11  LEU   6          HD11      LEU   6   3.367  -3.242 -13.501
  209   HD12  LEU   6          HD12      LEU   6   1.771  -2.761 -14.072
  210   HD13  LEU   6          HD13      LEU   6   2.354  -2.235 -12.475
  211   HD21  LEU   6          HD21      LEU   6   4.122  -0.702 -16.049
  212   HD22  LEU   6          HD22      LEU   6   3.091  -2.164 -16.047
  213   HD23  LEU   6          HD23      LEU   6   4.702  -2.208 -15.329
  214    H    CYS   7           H        CYS   7   1.058   2.308 -16.085
  215    HA   CYS   7           HA       CYS   7  -0.702   3.760 -14.156
  216    HB2  CYS   7           HB2      CYS   7   0.298   4.678 -16.877
  217    HB3  CYS   7           HB3      CYS   7  -0.744   5.577 -15.796
  218    H    GLY   8           H        GLY   8  -2.821   3.062 -14.421
  219    HA2  GLY   8           HA2      GLY   8  -4.793   2.433 -15.450
  220    HA3  GLY   8           HA3      GLY   8  -4.156   3.211 -16.907
  221    H    SER   9           H        SER   9  -3.884   1.900 -18.648
  222    HA   SER   9           HA       SER   9  -4.452  -0.845 -18.748
  223    HB2  SER   9           HB2      SER   9  -2.590   0.769 -20.565
  224    HB3  SER   9           HB3      SER   9  -3.414  -0.746 -20.994
  225    HG   SER   9           HG       SER   9  -4.539   1.120 -21.762
  226    H    HIS  10           H        HIS  10  -1.171   0.653 -18.346
  227    HA   HIS  10           HA       HIS  10   0.246  -1.902 -18.454
  228    HB2  HIS  10           HB2      HIS  10   0.952   0.724 -17.092
  229    HB3  HIS  10           HB3      HIS  10   2.062  -0.616 -17.257
  230    HD1  HIS  10           HD1      HIS  10   2.804  -1.070 -20.001
  231    HD2  HIS  10           HD2      HIS  10   0.689   2.397 -18.947
  232    HE1  HIS  10           HE1      HIS  10   3.064   0.533 -21.969
  233    H    LEU  11           H        LEU  11  -1.318   0.009 -15.899
  234    HA   LEU  11           HA       LEU  11  -0.138  -1.522 -13.762
  235    HB2  LEU  11           HB2      LEU  11  -0.946   0.902 -13.697
  236    HB3  LEU  11           HB3      LEU  11  -2.588   0.277 -13.660
  237    HG   LEU  11           HG       LEU  11  -2.269  -0.725 -11.560
  238   HD11  LEU  11          HD11      LEU  11  -0.330  -0.768 -10.209
  239   HD12  LEU  11          HD12      LEU  11   0.609   0.086 -11.483
  240   HD13  LEU  11          HD13      LEU  11   0.039  -1.577 -11.714
  241   HD21  LEU  11          HD21      LEU  11  -2.769   1.634 -11.674
  242   HD22  LEU  11          HD22      LEU  11  -1.050   2.020 -11.429
  243   HD23  LEU  11          HD23      LEU  11  -1.984   1.143 -10.168
  244    H    VAL  12           H        VAL  12  -3.220  -1.569 -15.511
  245    HA   VAL  12           HA       VAL  12  -4.354  -3.844 -14.222
  246    HB   VAL  12           HB       VAL  12  -4.731  -2.714 -17.015
  247   HG11  VAL  12          HG11      VAL  12  -6.145  -5.081 -15.733
  248   HG12  VAL  12          HG12      VAL  12  -6.804  -4.157 -17.107
  249   HG13  VAL  12          HG13      VAL  12  -5.286  -5.040 -17.289
  250   HG21  VAL  12          HG21      VAL  12  -5.594  -1.385 -15.095
  251   HG22  VAL  12          HG22      VAL  12  -6.909  -2.033 -16.079
  252   HG23  VAL  12          HG23      VAL  12  -6.494  -2.796 -14.520
  253    H    GLU  13           H        GLU  13  -1.821  -3.557 -16.793
  254    HA   GLU  13           HA       GLU  13  -1.906  -6.327 -17.563
  255    HB2  GLU  13           HB2      GLU  13  -0.816  -4.392 -18.812
  256    HB3  GLU  13           HB3      GLU  13   0.546  -4.560 -17.701
  257    HG2  GLU  13           HG2      GLU  13   0.924  -6.859 -18.451
  258    HG3  GLU  13           HG3      GLU  13  -0.530  -6.805 -19.447
  259    H    ALA  14           H        ALA  14  -0.575  -4.738 -14.732
  260    HA   ALA  14           HA       ALA  14   0.790  -7.214 -13.807
  261    HB1  ALA  14           HB1      ALA  14   1.260  -5.853 -11.816
  262    HB2  ALA  14           HB2      ALA  14   1.880  -5.104 -13.315
  263    HB3  ALA  14           HB3      ALA  14   0.409  -4.464 -12.563
  264    H    LEU  15           H        LEU  15  -1.974  -5.104 -12.792
  265    HA   LEU  15           HA       LEU  15  -3.098  -6.506 -10.783
  266    HB2  LEU  15           HB2      LEU  15  -3.719  -4.362 -12.240
  267    HB3  LEU  15           HB3      LEU  15  -4.860  -5.481 -13.013
  268    HG   LEU  15           HG       LEU  15  -4.651  -4.680 -10.128
  269   HD11  LEU  15          HD11      LEU  15  -6.926  -3.681 -10.658
  270   HD12  LEU  15          HD12      LEU  15  -6.686  -4.156 -12.347
  271   HD13  LEU  15          HD13      LEU  15  -5.615  -2.966 -11.606
  272   HD21  LEU  15          HD21      LEU  15  -6.362  -6.747 -11.472
  273   HD22  LEU  15          HD22      LEU  15  -6.811  -5.994  -9.929
  274   HD23  LEU  15          HD23      LEU  15  -5.310  -6.889 -10.036
  275    H    TYR  16           H        TYR  16  -3.754  -7.053 -14.185
  276    HA   TYR  16           HA       TYR  16  -5.645  -9.193 -14.072
  277    HB2  TYR  16           HB2      TYR  16  -5.067  -7.484 -15.881
  278    HB3  TYR  16           HB3      TYR  16  -3.662  -8.461 -16.278
  279    HD1  TYR  16           HD1      TYR  16  -4.577 -11.189 -16.601
  280    HD2  TYR  16           HD2      TYR  16  -6.588  -7.467 -17.502
  281    HE1  TYR  16           HE1      TYR  16  -6.018 -12.371 -18.198
  282    HE2  TYR  16           HE2      TYR  16  -8.037  -8.671 -19.140
  283    HH   TYR  16           HH       TYR  16  -8.566 -10.681 -20.106
  284    H    LEU  17           H        LEU  17  -2.150  -9.210 -13.907
  285    HA   LEU  17           HA       LEU  17  -1.860 -12.099 -14.415
  286    HB2  LEU  17           HB2      LEU  17  -0.253 -10.358 -15.255
  287    HB3  LEU  17           HB3      LEU  17   0.061  -9.844 -13.636
  288    HG   LEU  17           HG       LEU  17   1.042 -11.876 -12.933
  289   HD11  LEU  17          HD11      LEU  17   1.673 -13.643 -14.624
  290   HD12  LEU  17          HD12      LEU  17   0.639 -12.830 -15.818
  291   HD13  LEU  17          HD13      LEU  17  -0.069 -13.551 -14.355
  292   HD21  LEU  17          HD21      LEU  17   2.453 -10.115 -13.944
  293   HD22  LEU  17          HD22      LEU  17   2.252 -10.863 -15.541
  294   HD23  LEU  17          HD23      LEU  17   3.119 -11.724 -14.258
  295    H    VAL  18           H        VAL  18  -1.550  -9.703 -11.877
  296    HA   VAL  18           HA       VAL  18  -0.644 -11.266  -9.683
  297    HB   VAL  18           HB       VAL  18  -2.241  -8.661  -9.848
  298   HG11  VAL  18          HG11      VAL  18  -2.574  -9.409  -7.685
  299   HG12  VAL  18          HG12      VAL  18  -0.952 -10.109  -7.537
  300   HG13  VAL  18          HG13      VAL  18  -1.170  -8.360  -7.526
  301   HG21  VAL  18          HG21      VAL  18   0.383  -9.105 -10.721
  302   HG22  VAL  18          HG22      VAL  18  -0.333  -7.557 -10.263
  303   HG23  VAL  18          HG23      VAL  18   0.607  -8.459  -9.108
  304    H    CYS  19           H        CYS  19  -3.847 -10.346 -10.829
  305    HA   CYS  19           HA       CYS  19  -5.317 -11.952  -8.822
  306    HB2  CYS  19           HB2      CYS  19  -6.161 -10.652 -11.432
  307    HB3  CYS  19           HB3      CYS  19  -7.271 -11.389 -10.271
  308    H    GLY  20           H        GLY  20  -4.134 -12.267 -12.132
  309    HA2  GLY  20           HA2      GLY  20  -3.937 -13.989 -13.580
  310    HA3  GLY  20           HA3      GLY  20  -4.202 -15.140 -12.252
  311    H    GLU  21           H        GLU  21  -6.076 -12.662 -14.014
  312    HA   GLU  21           HA       GLU  21  -8.171 -12.526 -14.823
  313    HB2  GLU  21           HB2      GLU  21  -7.008 -14.465 -16.177
  314    HB3  GLU  21           HB3      GLU  21  -8.272 -15.457 -15.453
  315    HG2  GLU  21           HG2      GLU  21  -9.966 -13.796 -16.399
  316    HG3  GLU  21           HG3      GLU  21  -8.630 -12.967 -17.184
  317    H    ARG  22           H        ARG  22  -7.818 -13.840 -11.947
  318    HA   ARG  22           HA       ARG  22 -10.220 -15.102 -11.154
  319    HB2  ARG  22           HB2      ARG  22  -8.021 -14.863  -9.985
  320    HB3  ARG  22           HB3      ARG  22  -8.439 -13.174  -9.612
  321    HG2  ARG  22           HG2      ARG  22 -10.496 -14.226  -8.377
  322    HG3  ARG  22           HG3      ARG  22  -9.601 -15.745  -8.527
  323    HD2  ARG  22           HD2      ARG  22  -8.833 -13.204  -7.070
  324    HD3  ARG  22           HD3      ARG  22  -9.008 -14.837  -6.402
  325    HE   ARG  22           HE       ARG  22  -6.913 -14.842  -8.365
  326   HH11  ARG  22          HH11      ARG  22  -5.577 -13.412  -4.928
  327   HH12  ARG  22          HH12      ARG  22  -7.335 -13.556  -5.089
  328   HH21  ARG  22          HH21      ARG  22  -4.759 -14.539  -7.963
  329   HH22  ARG  22          HH22      ARG  22  -4.275 -13.926  -6.376
  330    H    GLY  23           H        GLY  23  -9.489 -11.681 -11.465
  331    HA2  GLY  23           HA2      GLY  23 -11.291 -10.241 -12.238
  332    HA3  GLY  23           HA3      GLY  23 -12.354 -10.903 -10.995
  333    H    PHE  24           H        PHE  24 -11.849  -8.240 -11.443
  334    HA   PHE  24           HA       PHE  24 -10.925  -6.966  -9.010
  335    HB2  PHE  24           HB2      PHE  24  -8.989  -5.857 -10.056
  336    HB3  PHE  24           HB3      PHE  24  -8.739  -7.564  -9.918
  337    HD1  PHE  24           HD1      PHE  24  -8.954  -4.773 -12.249
  338    HD2  PHE  24           HD2      PHE  24  -8.720  -9.067 -11.884
  339    HE1  PHE  24           HE1      PHE  24  -8.139  -4.940 -14.588
  340    HE2  PHE  24           HE2      PHE  24  -8.085  -9.240 -14.269
  341    HZ   PHE  24           HZ       PHE  24  -7.790  -7.169 -15.622
  342    H    PHE  25           H        PHE  25 -10.599  -4.527  -9.508
  343    HA   PHE  25           HA       PHE  25 -11.953  -3.505 -11.908
  344    HB2  PHE  25           HB2      PHE  25 -13.681  -3.375 -10.175
  345    HB3  PHE  25           HB3      PHE  25 -12.561  -2.552  -9.090
  346    HD1  PHE  25           HD1      PHE  25 -12.899  -0.241  -8.912
  347    HD2  PHE  25           HD2      PHE  25 -13.747  -2.183 -12.672
  348    HE1  PHE  25           HE1      PHE  25 -13.505   1.954  -9.914
  349    HE2  PHE  25           HE2      PHE  25 -14.326   0.013 -13.674
  350    HZ   PHE  25           HZ       PHE  25 -14.196   2.090 -12.302
  351    H    TYR  26           H        TYR  26 -11.208  -1.346 -12.482
  352    HA   TYR  26           HA       TYR  26  -8.334  -1.270 -12.141
  353    HB2  TYR  26           HB2      TYR  26  -9.754   0.864 -13.671
  354    HB3  TYR  26           HB3      TYR  26  -8.311  -0.042 -14.072
  355    HD1  TYR  26           HD1      TYR  26  -8.846  -2.726 -14.437
  356    HD2  TYR  26           HD2      TYR  26 -11.665   0.508 -14.917
  357    HE1  TYR  26           HE1      TYR  26 -10.266  -4.168 -15.900
  358    HE2  TYR  26           HE2      TYR  26 -13.067  -0.922 -16.378
  359    HH   TYR  26           HH       TYR  26 -13.327  -2.984 -17.348
  360    H    THR  27           H        THR  27 -10.894   0.486 -10.688
  361    HA   THR  27           HA       THR  27 -11.095   2.435  -9.538
  362    HB   THR  27           HB       THR  27  -8.811   1.343  -7.904
  363    HG1  THR  27           HG1      THR  27 -10.264  -0.190  -7.136
  364   HG21  THR  27          HG21      THR  27 -11.609   2.365  -7.187
  365   HG22  THR  27          HG22      THR  27 -10.111   3.295  -6.998
  366   HG23  THR  27          HG23      THR  27 -10.359   1.832  -6.042
  367    HA   PRO  28           HA       PRO  28  -7.550   5.220 -10.743
  368    HB2  PRO  28           HB2      PRO  28  -8.458   6.507 -12.937
  369    HB3  PRO  28           HB3      PRO  28  -7.701   4.886 -13.051
  370    HG2  PRO  28           HG2      PRO  28 -10.677   5.544 -12.951
  371    HG3  PRO  28           HG3      PRO  28  -9.825   4.494 -14.121
  372    HD2  PRO  28           HD2      PRO  28 -11.081   3.484 -11.897
  373    HD3  PRO  28           HD3      PRO  28  -9.590   2.778 -12.581
  374    H    LYS  29           H        LYS  29 -11.016   5.477 -10.447
  375    HA   LYS  29           HA       LYS  29 -10.841   7.946  -8.819
  376    HB2  LYS  29           HB2      LYS  29 -11.220   8.599 -11.192
  377    HB3  LYS  29           HB3      LYS  29 -12.675   7.635 -11.248
  378    HG2  LYS  29           HG2      LYS  29 -12.213  10.028  -9.394
  379    HG3  LYS  29           HG3      LYS  29 -12.936  10.138 -10.985
  380    HD2  LYS  29           HD2      LYS  29 -14.143   8.840  -8.531
  381    HD3  LYS  29           HD3      LYS  29 -14.697  10.257  -9.378
  382    HE2  LYS  29           HE2      LYS  29 -14.704   7.431 -10.528
  383    HE3  LYS  29           HE3      LYS  29 -16.085   8.222  -9.775
  384    HZ1  LYS  29           HZ1      LYS  29 -14.729   9.197 -12.235
  385    HZ2  LYS  29           HZ2      LYS  29 -16.007   9.921 -11.516
  386    HZ3  LYS  29           HZ3      LYS  29 -16.176   8.441 -12.178
  387    H    THR  30           H        THR  30 -12.134   7.750  -7.054
  388    HA   THR  30           HA       THR  30 -14.604   6.166  -7.120
  389    HB   THR  30           HB       THR  30 -12.826   4.516  -6.536
  390    HG1  THR  30           HG1      THR  30 -14.743   3.940  -5.837
  391   HG21  THR  30          HG21      THR  30 -11.842   4.497  -4.324
  392   HG22  THR  30          HG22      THR  30 -12.580   6.052  -3.920
  393   HG23  THR  30          HG23      THR  30 -11.322   5.956  -5.178
  394    H    ARG  31           H        ARG  31 -15.851   6.417  -5.085
  395    HA   ARG  31           HA       ARG  31 -15.963   9.281  -4.414
  396    HB2  ARG  31           HB2      ARG  31 -17.824   6.968  -3.751
  397    HB3  ARG  31           HB3      ARG  31 -18.093   8.649  -3.283
  398    HG2  ARG  31           HG2      ARG  31 -18.119   9.330  -5.679
  399    HG3  ARG  31           HG3      ARG  31 -17.845   7.648  -6.156
  400    HD2  ARG  31           HD2      ARG  31 -20.165   8.116  -6.423
  401    HD3  ARG  31           HD3      ARG  31 -19.984   6.998  -5.061
  402    HE   ARG  31           HE       ARG  31 -20.013   9.655  -4.038
  403   HH11  ARG  31          HH11      ARG  31 -22.280   7.486  -5.593
  404   HH12  ARG  31          HH12      ARG  31 -23.659   8.229  -4.827
  405   HH21  ARG  31          HH21      ARG  31 -21.808  10.554  -3.100
  406   HH22  ARG  31          HH22      ARG  31 -23.392   9.941  -3.476
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -7.088   5.922  -3.693
    2    H2   GLY   1           H2       GLY   1  -5.527   6.351  -3.942
    3    H3   GLY   1           H3       GLY   1  -5.884   5.106  -2.935
    4    HA2  GLY   1           HA2      GLY   1  -6.726   3.781  -4.751
    5    HA3  GLY   1           HA3      GLY   1  -6.398   5.136  -5.849
    6    H    ILE   2           H        ILE   2  -5.329   2.381  -5.943
    7    HA   ILE   2           HA       ILE   2  -2.576   2.398  -4.939
    8    HB   ILE   2           HB       ILE   2  -3.759   0.337  -4.931
    9   HG12  ILE   2          HG12      ILE   2  -1.788   0.167  -7.250
   10   HG13  ILE   2          HG13      ILE   2  -1.306   0.299  -5.561
   11   HG21  ILE   2          HG21      ILE   2  -4.635  -0.719  -6.941
   12   HG22  ILE   2          HG22      ILE   2  -5.432   0.808  -6.705
   13   HG23  ILE   2          HG23      ILE   2  -4.150   0.705  -7.927
   14   HD11  ILE   2          HD11      ILE   2  -2.784  -2.040  -6.848
   15   HD12  ILE   2          HD12      ILE   2  -1.127  -1.966  -6.202
   16   HD13  ILE   2          HD13      ILE   2  -2.518  -1.854  -5.105
   17    H    VAL   3           H        VAL   3  -4.075   2.812  -8.146
   18    HA   VAL   3           HA       VAL   3  -2.097   3.332  -9.891
   19    HB   VAL   3           HB       VAL   3  -4.294   5.359  -9.361
   20   HG11  VAL   3          HG11      VAL   3  -3.086   4.332 -11.968
   21   HG12  VAL   3          HG12      VAL   3  -4.365   5.553 -11.811
   22   HG13  VAL   3          HG13      VAL   3  -2.744   5.907 -11.221
   23   HG21  VAL   3          HG21      VAL   3  -5.811   3.992 -10.791
   24   HG22  VAL   3          HG22      VAL   3  -4.652   2.668 -10.727
   25   HG23  VAL   3          HG23      VAL   3  -5.464   3.225  -9.252
   26    H    GLU   4           H        GLU   4  -2.909   5.548  -7.197
   27    HA   GLU   4           HA       GLU   4  -1.168   7.580  -8.168
   28    HB2  GLU   4           HB2      GLU   4  -3.001   8.001  -6.576
   29    HB3  GLU   4           HB3      GLU   4  -2.145   7.087  -5.318
   30    HG2  GLU   4           HG2      GLU   4  -0.325   8.684  -5.289
   31    HG3  GLU   4           HG3      GLU   4  -0.959   9.511  -6.715
   32    H    GLN   5           H        GLN   5  -0.555   4.707  -6.239
   33    HA   GLN   5           HA       GLN   5   2.231   5.417  -5.636
   34    HB2  GLN   5           HB2      GLN   5   0.671   3.955  -4.193
   35    HB3  GLN   5           HB3      GLN   5   0.889   2.692  -5.365
   36    HG2  GLN   5           HG2      GLN   5   2.455   2.306  -3.587
   37    HG3  GLN   5           HG3      GLN   5   3.371   2.759  -5.018
   38   HE21  GLN   5          HE21      GLN   5   4.459   4.937  -5.012
   39   HE22  GLN   5          HE22      GLN   5   4.666   5.750  -3.476
   40    H    CYS   6           H        CYS   6   0.562   2.935  -7.579
   41    HA   CYS   6           HA       CYS   6   2.883   1.783  -8.766
   42    HB2  CYS   6           HB2      CYS   6  -0.053   1.852  -9.553
   43    HB3  CYS   6           HB3      CYS   6   1.156   1.044 -10.542
   44    H    CYS   7           H        CYS   7   0.834   4.509 -10.037
   45    HA   CYS   7           HA       CYS   7   2.179   4.341 -12.598
   46    HB2  CYS   7           HB2      CYS   7  -0.142   5.106 -12.334
   47    HB3  CYS   7           HB3      CYS   7   0.340   6.425 -11.331
   48    H    THR   8           H        THR   8   2.806   6.248  -9.629
   49    HA   THR   8           HA       THR   8   4.988   7.741 -10.960
   50    HB   THR   8           HB       THR   8   5.282   8.871  -8.846
   51    HG1  THR   8           HG1      THR   8   4.827   7.229  -7.365
   52   HG21  THR   8          HG21      THR   8   3.108   9.941  -8.653
   53   HG22  THR   8          HG22      THR   8   2.310   8.565  -9.458
   54   HG23  THR   8          HG23      THR   8   3.451   9.592 -10.362
   55    H    SER   9           H        SER   9   4.628   4.993  -8.743
   56    HA   SER   9           HA       SER   9   7.579   4.639  -8.672
   57    HB2  SER   9           HB2      SER   9   6.052   4.031  -6.189
   58    HB3  SER   9           HB3      SER   9   7.712   4.560  -6.396
   59    HG   SER   9           HG       SER   9   7.061   6.659  -6.620
   60    H    ILE  10           H        ILE  10   8.058   2.469  -7.473
   61    HA   ILE  10           HA       ILE  10   6.878   0.512  -9.231
   62    HB   ILE  10           HB       ILE  10   8.596  -1.018  -8.320
   63   HG12  ILE  10          HG12      ILE  10   9.428   1.428  -6.662
   64   HG13  ILE  10          HG13      ILE  10   8.768  -0.072  -6.020
   65   HG21  ILE  10          HG21      ILE  10   8.822   0.583 -10.268
   66   HG22  ILE  10          HG22      ILE  10   9.674   1.698  -9.186
   67   HG23  ILE  10          HG23      ILE  10  10.353   0.087  -9.532
   68   HD11  ILE  10          HD11      ILE  10  11.435   0.291  -7.421
   69   HD12  ILE  10          HD12      ILE  10  11.133  -0.018  -5.704
   70   HD13  ILE  10          HD13      ILE  10  10.771  -1.282  -6.907
   71    H    CYS  11           H        CYS  11   5.634  -1.150  -8.945
   72    HA   CYS  11           HA       CYS  11   4.831  -2.124  -6.255
   73    HB2  CYS  11           HB2      CYS  11   2.508  -1.939  -6.784
   74    HB3  CYS  11           HB3      CYS  11   3.271  -0.358  -6.872
   75    H    SER  12           H        SER  12   3.508  -4.172  -6.493
   76    HA   SER  12           HA       SER  12   3.825  -5.821  -8.872
   77    HB2  SER  12           HB2      SER  12   6.142  -5.822  -7.729
   78    HB3  SER  12           HB3      SER  12   5.372  -6.720  -6.408
   79    HG   SER  12           HG       SER  12   5.722  -7.397  -9.135
   80    H    LEU  13           H        LEU  13   3.538  -8.389  -7.491
   81    HA   LEU  13           HA       LEU  13   0.743  -8.173  -6.759
   82    HB2  LEU  13           HB2      LEU  13   0.823 -10.564  -6.204
   83    HB3  LEU  13           HB3      LEU  13   1.325 -10.175  -7.831
   84    HG   LEU  13           HG       LEU  13   3.659 -10.578  -7.301
   85   HD11  LEU  13          HD11      LEU  13   3.854 -10.096  -4.940
   86   HD12  LEU  13          HD12      LEU  13   4.177 -11.805  -5.147
   87   HD13  LEU  13          HD13      LEU  13   2.590 -11.287  -4.529
   88   HD21  LEU  13          HD21      LEU  13   2.218 -12.387  -8.140
   89   HD22  LEU  13          HD22      LEU  13   1.725 -12.791  -6.477
   90   HD23  LEU  13          HD23      LEU  13   3.400 -13.034  -6.997
   91    H    TYR  14           H        TYR  14   3.492  -7.627  -4.906
   92    HA   TYR  14           HA       TYR  14   2.432  -8.051  -2.283
   93    HB2  TYR  14           HB2      TYR  14   4.843  -7.217  -3.423
   94    HB3  TYR  14           HB3      TYR  14   4.257  -5.741  -2.689
   95    HD1  TYR  14           HD1      TYR  14   5.216  -9.271  -2.154
   96    HD2  TYR  14           HD2      TYR  14   4.233  -5.542  -0.225
   97    HE1  TYR  14           HE1      TYR  14   6.044 -10.179   0.028
   98    HE2  TYR  14           HE2      TYR  14   5.067  -6.444   1.951
   99    HH   TYR  14           HH       TYR  14   6.377  -9.770   2.248
  100    H    GLN  15           H        GLN  15   1.643  -5.680  -4.729
  101    HA   GLN  15           HA       GLN  15  -0.057  -4.181  -2.769
  102    HB2  GLN  15           HB2      GLN  15   1.116  -2.976  -5.294
  103    HB3  GLN  15           HB3      GLN  15   0.255  -2.175  -3.971
  104    HG2  GLN  15           HG2      GLN  15   2.317  -3.174  -2.548
  105    HG3  GLN  15           HG3      GLN  15   3.113  -3.145  -4.110
  106   HE21  GLN  15          HE21      GLN  15   1.677  -1.136  -1.545
  107   HE22  GLN  15          HE22      GLN  15   2.337   0.376  -2.159
  108    H    LEU  16           H        LEU  16   0.236  -5.183  -6.220
  109    HA   LEU  16           HA       LEU  16  -2.324  -4.365  -7.120
  110    HB2  LEU  16           HB2      LEU  16  -0.358  -6.490  -7.979
  111    HB3  LEU  16           HB3      LEU  16  -1.919  -6.269  -8.791
  112    HG   LEU  16           HG       LEU  16   0.044  -5.305  -9.917
  113   HD11  LEU  16          HD11      LEU  16  -1.879  -3.105  -9.316
  114   HD12  LEU  16          HD12      LEU  16  -2.525  -4.586 -10.019
  115   HD13  LEU  16          HD13      LEU  16  -1.288  -3.703 -10.890
  116   HD21  LEU  16          HD21      LEU  16   1.249  -4.188  -8.149
  117   HD22  LEU  16          HD22      LEU  16  -0.178  -3.190  -7.768
  118   HD23  LEU  16          HD23      LEU  16   0.664  -3.017  -9.327
  119    H    GLU  17           H        GLU  17  -1.540  -7.308  -5.238
  120    HA   GLU  17           HA       GLU  17  -3.966  -8.640  -6.089
  121    HB2  GLU  17           HB2      GLU  17  -1.715  -9.634  -5.171
  122    HB3  GLU  17           HB3      GLU  17  -2.516  -9.459  -3.589
  123    HG2  GLU  17           HG2      GLU  17  -4.492 -10.744  -4.697
  124    HG3  GLU  17           HG3      GLU  17  -3.415 -11.006  -6.069
  125    H    ASN  18           H        ASN  18  -3.582  -6.019  -4.192
  126    HA   ASN  18           HA       ASN  18  -5.886  -6.397  -2.381
  127    HB2  ASN  18           HB2      ASN  18  -4.260  -3.942  -3.200
  128    HB3  ASN  18           HB3      ASN  18  -5.657  -3.868  -2.162
  129   HD21  ASN  18          HD21      ASN  18  -2.312  -4.763  -2.359
  130   HD22  ASN  18          HD22      ASN  18  -2.113  -5.164  -0.645
  131    H    TYR  19           H        TYR  19  -5.473  -5.675  -5.817
  132    HA   TYR  19           HA       TYR  19  -7.997  -4.110  -5.978
  133    HB2  TYR  19           HB2      TYR  19  -6.022  -5.308  -7.909
  134    HB3  TYR  19           HB3      TYR  19  -7.594  -4.757  -8.456
  135    HD1  TYR  19           HD1      TYR  19  -4.301  -3.915  -8.121
  136    HD2  TYR  19           HD2      TYR  19  -8.267  -2.306  -7.846
  137    HE1  TYR  19           HE1      TYR  19  -3.622  -2.071  -9.579
  138    HE2  TYR  19           HE2      TYR  19  -7.478  -0.194  -9.007
  139    HH   TYR  19           HH       TYR  19  -4.277  -0.084 -10.600
  140    H    CYS  20           H        CYS  20  -6.911  -7.471  -6.408
  141    HA   CYS  20           HA       CYS  20  -8.931  -8.360  -7.979
  142    HB2  CYS  20           HB2      CYS  20  -7.778 -10.066  -5.785
  143    HB3  CYS  20           HB3      CYS  20  -8.385 -10.574  -7.392
  144    H    ASN  21           H        ASN  21 -10.839  -9.639  -7.638
  145    HA   ASN  21           HA       ASN  21 -12.429  -8.501  -5.493
  146    HB2  ASN  21           HB2      ASN  21 -13.114 -10.275  -7.883
  147    HB3  ASN  21           HB3      ASN  21 -14.328  -9.685  -6.741
  148   HD21  ASN  21          HD21      ASN  21 -14.717  -9.090  -9.343
  149   HD22  ASN  21          HD22      ASN  21 -14.397  -7.389  -9.612
  150    H    SER  22           H        SER  22 -10.561 -11.217  -5.502
  151    HA   SER  22           HA       SER  22 -12.079 -13.319  -4.401
  152    HB2  SER  22           HB2      SER  22  -9.164 -12.648  -3.848
  153    HB3  SER  22           HB3      SER  22  -9.937 -14.227  -3.661
  154    HG   SER  22           HG       SER  22 -10.395 -14.180  -5.931
  155    H1   PHE   1           H1       PHE   1   7.759 -13.048 -10.644
  156    H2   PHE   1           H2       PHE   1   8.055 -12.793 -12.234
  157    H3   PHE   1           H3       PHE   1   6.619 -13.435 -11.758
  158    HA   PHE   1           HA       PHE   1   6.343 -11.138 -12.364
  159    HB2  PHE   1           HB2      PHE   1   5.241 -10.340 -10.311
  160    HB3  PHE   1           HB3      PHE   1   4.828 -11.994 -10.690
  161    HD1  PHE   1           HD1      PHE   1   6.775  -9.821  -8.374
  162    HD2  PHE   1           HD2      PHE   1   5.336 -13.813  -9.171
  163    HE1  PHE   1           HE1      PHE   1   7.337 -10.491  -6.056
  164    HE2  PHE   1           HE2      PHE   1   5.924 -14.487  -6.858
  165    HZ   PHE   1           HZ       PHE   1   6.876 -12.806  -5.283
  166    H    VAL   2           H        VAL   2   6.632  -8.842 -11.593
  167    HA   VAL   2           HA       VAL   2   9.421  -8.272 -10.695
  168    HB   VAL   2           HB       VAL   2   9.560  -6.593 -12.564
  169   HG11  VAL   2          HG11      VAL   2  10.806  -8.722 -12.606
  170   HG12  VAL   2          HG12      VAL   2   9.451  -9.500 -13.451
  171   HG13  VAL   2          HG13      VAL   2  10.346  -8.183 -14.229
  172   HG21  VAL   2          HG21      VAL   2   8.253  -6.854 -14.572
  173   HG22  VAL   2          HG22      VAL   2   7.353  -8.221 -13.895
  174   HG23  VAL   2          HG23      VAL   2   7.132  -6.593 -13.228
  175    H    LYS   3           H        LYS   3   9.815  -6.216  -9.870
  176    HA   LYS   3           HA       LYS   3   7.483  -4.583  -9.040
  177    HB2  LYS   3           HB2      LYS   3  10.448  -4.358  -8.403
  178    HB3  LYS   3           HB3      LYS   3   9.168  -3.334  -7.733
  179    HG2  LYS   3           HG2      LYS   3   8.098  -5.272  -6.668
  180    HG3  LYS   3           HG3      LYS   3   9.320  -6.358  -7.337
  181    HD2  LYS   3           HD2      LYS   3   9.888  -4.065  -5.422
  182    HD3  LYS   3           HD3      LYS   3   9.695  -5.773  -4.972
  183    HE2  LYS   3           HE2      LYS   3  11.632  -6.371  -6.411
  184    HE3  LYS   3           HE3      LYS   3  11.864  -4.672  -6.824
  185    HZ1  LYS   3           HZ1      LYS   3  12.076  -5.795  -4.077
  186    HZ2  LYS   3           HZ2      LYS   3  12.273  -4.220  -4.460
  187    HZ3  LYS   3           HZ3      LYS   3  13.328  -5.335  -5.011
  188    H    GLN   4           H        GLN   4   6.804  -2.948 -10.238
  189    HA   GLN   4           HA       GLN   4   8.624  -1.307 -11.904
  190    HB2  GLN   4           HB2      GLN   4   7.147  -1.790 -13.936
  191    HB3  GLN   4           HB3      GLN   4   8.325  -3.021 -13.466
  192    HG2  GLN   4           HG2      GLN   4   6.533  -4.356 -12.392
  193    HG3  GLN   4           HG3      GLN   4   5.361  -3.103 -12.775
  194   HE21  GLN   4          HE21      GLN   4   4.523  -5.363 -13.666
  195   HE22  GLN   4          HE22      GLN   4   4.888  -5.641 -15.367
  196    H    HIS   5           H        HIS   5   7.644   0.548 -12.846
  197    HA   HIS   5           HA       HIS   5   5.229   1.500 -11.445
  198    HB2  HIS   5           HB2      HIS   5   5.839   3.700 -12.503
  199    HB3  HIS   5           HB3      HIS   5   6.904   3.065 -11.249
  200    HD1  HIS   5           HD1      HIS   5   9.371   3.462 -11.825
  201    HD2  HIS   5           HD2      HIS   5   6.920   2.788 -15.185
  202    HE1  HIS   5           HE1      HIS   5  10.903   3.572 -13.862
  203    H    LEU   6           H        LEU   6   3.358   1.986 -12.437
  204    HA   LEU   6           HA       LEU   6   2.922   1.508 -15.333
  205    HB2  LEU   6           HB2      LEU   6   1.518  -0.101 -13.170
  206    HB3  LEU   6           HB3      LEU   6   1.357  -0.288 -14.891
  207    HG   LEU   6           HG       LEU   6   3.946  -0.870 -13.472
  208   HD11  LEU   6          HD11      LEU   6   3.260  -3.195 -13.512
  209   HD12  LEU   6          HD12      LEU   6   1.652  -2.714 -14.036
  210   HD13  LEU   6          HD13      LEU   6   2.262  -2.196 -12.452
  211   HD21  LEU   6          HD21      LEU   6   2.940  -2.110 -16.039
  212   HD22  LEU   6          HD22      LEU   6   4.563  -2.144 -15.347
  213   HD23  LEU   6          HD23      LEU   6   3.964  -0.640 -16.049
  214    H    CYS   7           H        CYS   7   1.186   2.563 -16.087
  215    HA   CYS   7           HA       CYS   7  -0.718   3.924 -14.210
  216    HB2  CYS   7           HB2      CYS   7   0.303   4.821 -16.920
  217    HB3  CYS   7           HB3      CYS   7  -0.782   5.721 -15.867
  218    H    GLY   8           H        GLY   8  -2.862   3.324 -14.554
  219    HA2  GLY   8           HA2      GLY   8  -4.793   2.575 -15.579
  220    HA3  GLY   8           HA3      GLY   8  -4.136   3.290 -17.046
  221    H    SER   9           H        SER   9  -3.841   1.917 -18.728
  222    HA   SER   9           HA       SER   9  -4.480  -0.823 -18.736
  223    HB2  SER   9           HB2      SER   9  -2.607   0.704 -20.618
  224    HB3  SER   9           HB3      SER   9  -3.469  -0.797 -21.005
  225    HG   SER   9           HG       SER   9  -5.434   0.326 -20.854
  226    H    HIS  10           H        HIS  10  -1.209   0.651 -18.371
  227    HA   HIS  10           HA       HIS  10   0.237  -1.885 -18.460
  228    HB2  HIS  10           HB2      HIS  10   0.874   0.765 -17.101
  229    HB3  HIS  10           HB3      HIS  10   2.009  -0.552 -17.254
  230    HD1  HIS  10           HD1      HIS  10   2.745  -1.063 -19.977
  231    HD2  HIS  10           HD2      HIS  10   0.629   2.421 -18.993
  232    HE1  HIS  10           HE1      HIS  10   3.012   0.504 -21.976
  233    H    LEU  11           H        LEU  11  -1.422  -0.027 -15.953
  234    HA   LEU  11           HA       LEU  11  -0.274  -1.445 -13.713
  235    HB2  LEU  11           HB2      LEU  11  -1.441   0.961 -14.020
  236    HB3  LEU  11           HB3      LEU  11  -2.887   0.046 -13.610
  237    HG   LEU  11           HG       LEU  11  -0.371   0.502 -11.949
  238   HD11  LEU  11          HD11      LEU  11  -1.879   2.321 -11.841
  239   HD12  LEU  11          HD12      LEU  11  -2.202   1.352 -10.375
  240   HD13  LEU  11          HD13      LEU  11  -3.299   1.248 -11.760
  241   HD21  LEU  11          HD21      LEU  11  -1.605  -0.779 -10.146
  242   HD22  LEU  11          HD22      LEU  11  -0.855  -1.701 -11.448
  243   HD23  LEU  11          HD23      LEU  11  -2.616  -1.444 -11.460
  244    H    VAL  12           H        VAL  12  -3.340  -1.579 -15.518
  245    HA   VAL  12           HA       VAL  12  -4.422  -3.955 -14.299
  246    HB   VAL  12           HB       VAL  12  -4.781  -2.812 -17.093
  247   HG11  VAL  12          HG11      VAL  12  -6.821  -4.286 -17.192
  248   HG12  VAL  12          HG12      VAL  12  -5.293  -5.156 -17.326
  249   HG13  VAL  12          HG13      VAL  12  -6.184  -5.170 -15.786
  250   HG21  VAL  12          HG21      VAL  12  -6.980  -2.153 -16.207
  251   HG22  VAL  12          HG22      VAL  12  -6.574  -2.869 -14.628
  252   HG23  VAL  12          HG23      VAL  12  -5.685  -1.456 -15.224
  253    H    GLU  13           H        GLU  13  -1.795  -3.561 -16.768
  254    HA   GLU  13           HA       GLU  13  -1.847  -6.337 -17.533
  255    HB2  GLU  13           HB2      GLU  13  -0.761  -4.367 -18.772
  256    HB3  GLU  13           HB3      GLU  13   0.611  -4.563 -17.669
  257    HG2  GLU  13           HG2      GLU  13   0.930  -6.874 -18.436
  258    HG3  GLU  13           HG3      GLU  13  -0.513  -6.755 -19.450
  259    H    ALA  14           H        ALA  14  -0.572  -4.703 -14.682
  260    HA   ALA  14           HA       ALA  14   0.817  -7.181 -13.753
  261    HB1  ALA  14           HB1      ALA  14   1.226  -5.822 -11.743
  262    HB2  ALA  14           HB2      ALA  14   1.870  -5.062 -13.226
  263    HB3  ALA  14           HB3      ALA  14   0.379  -4.439 -12.513
  264    H    LEU  15           H        LEU  15  -2.001  -5.132 -12.803
  265    HA   LEU  15           HA       LEU  15  -3.117  -6.579 -10.801
  266    HB2  LEU  15           HB2      LEU  15  -3.740  -4.416 -12.252
  267    HB3  LEU  15           HB3      LEU  15  -4.860  -5.542 -13.034
  268    HG   LEU  15           HG       LEU  15  -4.708  -4.762 -10.136
  269   HD11  LEU  15          HD11      LEU  15  -5.675  -3.058 -11.598
  270   HD12  LEU  15          HD12      LEU  15  -6.985  -3.819 -10.681
  271   HD13  LEU  15          HD13      LEU  15  -6.715  -4.253 -12.381
  272   HD21  LEU  15          HD21      LEU  15  -6.341  -6.871 -11.508
  273   HD22  LEU  15          HD22      LEU  15  -6.825  -6.110  -9.975
  274   HD23  LEU  15          HD23      LEU  15  -5.297  -6.968 -10.059
  275    H    TYR  16           H        TYR  16  -3.690  -7.114 -14.243
  276    HA   TYR  16           HA       TYR  16  -5.539  -9.299 -14.136
  277    HB2  TYR  16           HB2      TYR  16  -5.038  -7.568 -15.936
  278    HB3  TYR  16           HB3      TYR  16  -3.582  -8.466 -16.332
  279    HD1  TYR  16           HD1      TYR  16  -6.580  -7.616 -17.526
  280    HD2  TYR  16           HD2      TYR  16  -4.312 -11.209 -16.752
  281    HE1  TYR  16           HE1      TYR  16  -7.957  -8.857 -19.195
  282    HE2  TYR  16           HE2      TYR  16  -5.665 -12.431 -18.411
  283    HH   TYR  16           HH       TYR  16  -8.334 -10.872 -20.250
  284    H    LEU  17           H        LEU  17  -2.050  -9.205 -13.916
  285    HA   LEU  17           HA       LEU  17  -1.664 -12.072 -14.476
  286    HB2  LEU  17           HB2      LEU  17  -0.081 -10.295 -15.247
  287    HB3  LEU  17           HB3      LEU  17   0.173  -9.772 -13.620
  288    HG   LEU  17           HG       LEU  17   1.168 -11.827 -12.906
  289   HD11  LEU  17          HD11      LEU  17   0.932 -12.695 -15.839
  290   HD12  LEU  17          HD12      LEU  17   0.152 -13.475 -14.445
  291   HD13  LEU  17          HD13      LEU  17   1.908 -13.528 -14.616
  292   HD21  LEU  17          HD21      LEU  17   2.585 -10.016 -13.770
  293   HD22  LEU  17          HD22      LEU  17   2.456 -10.672 -15.421
  294   HD23  LEU  17          HD23      LEU  17   3.295 -11.589 -14.154
  295    H    VAL  18           H        VAL  18  -1.441  -9.717 -11.876
  296    HA   VAL  18           HA       VAL  18  -0.626 -11.325  -9.677
  297    HB   VAL  18           HB       VAL  18  -2.224  -8.729  -9.903
  298   HG11  VAL  18          HG11      VAL  18  -1.102 -10.202  -7.515
  299   HG12  VAL  18          HG12      VAL  18  -1.321  -8.456  -7.504
  300   HG13  VAL  18          HG13      VAL  18  -2.717  -9.501  -7.759
  301   HG21  VAL  18          HG21      VAL  18  -0.277  -7.633 -10.137
  302   HG22  VAL  18          HG22      VAL  18   0.555  -8.558  -8.924
  303   HG23  VAL  18          HG23      VAL  18   0.465  -9.174 -10.568
  304    H    CYS  19           H        CYS  19  -3.801 -10.408 -10.932
  305    HA   CYS  19           HA       CYS  19  -5.259 -12.052  -8.951
  306    HB2  CYS  19           HB2      CYS  19  -6.207 -10.578 -11.403
  307    HB3  CYS  19           HB3      CYS  19  -7.247 -11.365 -10.201
  308    H    GLY  20           H        GLY  20  -3.989 -12.406 -12.214
  309    HA2  GLY  20           HA2      GLY  20  -4.014 -14.129 -13.716
  310    HA3  GLY  20           HA3      GLY  20  -4.042 -15.205 -12.301
  311    H    GLU  21           H        GLU  21  -6.314 -13.014 -13.958
  312    HA   GLU  21           HA       GLU  21  -8.509 -13.031 -14.376
  313    HB2  GLU  21           HB2      GLU  21  -7.763 -15.814 -15.218
  314    HB3  GLU  21           HB3      GLU  21  -9.327 -15.074 -15.594
  315    HG2  GLU  21           HG2      GLU  21  -8.195 -13.234 -16.777
  316    HG3  GLU  21           HG3      GLU  21  -6.619 -13.950 -16.414
  317    H    ARG  22           H        ARG  22  -7.804 -14.099 -11.489
  318    HA   ARG  22           HA       ARG  22 -10.300 -15.333 -10.643
  319    HB2  ARG  22           HB2      ARG  22  -8.231 -13.662  -9.157
  320    HB3  ARG  22           HB3      ARG  22  -9.654 -14.343  -8.382
  321    HG2  ARG  22           HG2      ARG  22  -9.001 -16.614  -8.918
  322    HG3  ARG  22           HG3      ARG  22  -7.583 -16.057  -9.807
  323    HD2  ARG  22           HD2      ARG  22  -8.076 -15.491  -6.849
  324    HD3  ARG  22           HD3      ARG  22  -7.152 -16.878  -7.436
  325    HE   ARG  22           HE       ARG  22  -5.913 -14.794  -8.689
  326   HH11  ARG  22          HH11      ARG  22  -4.014 -13.715  -7.886
  327   HH12  ARG  22          HH12      ARG  22  -3.873 -13.597  -6.144
  328   HH21  ARG  22          HH21      ARG  22  -6.628 -15.181  -5.232
  329   HH22  ARG  22          HH22      ARG  22  -5.144 -14.314  -4.821
  330    H    GLY  23           H        GLY  23  -9.574 -12.147 -11.639
  331    HA2  GLY  23           HA2      GLY  23 -11.223 -10.581 -12.284
  332    HA3  GLY  23           HA3      GLY  23 -12.345 -11.202 -11.092
  333    H    PHE  24           H        PHE  24 -11.754  -8.541 -11.521
  334    HA   PHE  24           HA       PHE  24 -10.844  -7.343  -9.014
  335    HB2  PHE  24           HB2      PHE  24  -8.966  -6.176 -10.062
  336    HB3  PHE  24           HB3      PHE  24  -8.695  -7.896 -10.003
  337    HD1  PHE  24           HD1      PHE  24  -8.924  -5.014 -12.196
  338    HD2  PHE  24           HD2      PHE  24  -8.770  -9.317 -12.034
  339    HE1  PHE  24           HE1      PHE  24  -8.142  -5.083 -14.573
  340    HE2  PHE  24           HE2      PHE  24  -8.169  -9.393 -14.430
  341    HZ   PHE  24           HZ       PHE  24  -7.844  -7.274 -15.697
  342    H    PHE  25           H        PHE  25 -10.574  -4.892  -9.426
  343    HA   PHE  25           HA       PHE  25 -12.130  -3.814 -11.701
  344    HB2  PHE  25           HB2      PHE  25 -13.408  -3.788  -9.374
  345    HB3  PHE  25           HB3      PHE  25 -12.258  -2.502  -8.976
  346    HD1  PHE  25           HD1      PHE  25 -12.824  -0.270  -9.551
  347    HD2  PHE  25           HD2      PHE  25 -14.657  -3.540 -11.667
  348    HE1  PHE  25           HE1      PHE  25 -14.269   1.339 -10.783
  349    HE2  PHE  25           HE2      PHE  25 -16.098  -1.927 -12.914
  350    HZ   PHE  25           HZ       PHE  25 -15.893   0.511 -12.479
  351    H    TYR  26           H        TYR  26 -11.478  -1.599 -12.223
  352    HA   TYR  26           HA       TYR  26  -9.009  -0.596 -10.955
  353    HB2  TYR  26           HB2      TYR  26  -7.985  -0.150 -13.164
  354    HB3  TYR  26           HB3      TYR  26  -8.071  -1.838 -12.701
  355    HD1  TYR  26           HD1      TYR  26  -9.764  -3.376 -13.751
  356    HD2  TYR  26           HD2      TYR  26  -9.041   0.612 -15.235
  357    HE1  TYR  26           HE1      TYR  26 -10.889  -3.976 -15.874
  358    HE2  TYR  26           HE2      TYR  26 -10.140  -0.006 -17.392
  359    HH   TYR  26           HH       TYR  26 -11.519  -3.265 -17.967
  360    H    THR  27           H        THR  27  -9.425   1.336 -10.317
  361    HA   THR  27           HA       THR  27 -11.203   3.151 -11.910
  362    HB   THR  27           HB       THR  27 -12.309   2.342  -9.993
  363    HG1  THR  27           HG1      THR  27 -12.881   4.343  -9.161
  364   HG21  THR  27          HG21      THR  27 -11.770   2.875  -7.712
  365   HG22  THR  27          HG22      THR  27 -10.254   3.663  -8.180
  366   HG23  THR  27          HG23      THR  27 -10.458   1.912  -8.404
  367    HA   PRO  28           HA       PRO  28  -7.212   5.417 -11.681
  368    HB2  PRO  28           HB2      PRO  28  -6.613   5.687 -14.305
  369    HB3  PRO  28           HB3      PRO  28  -6.394   4.123 -13.463
  370    HG2  PRO  28           HG2      PRO  28  -8.770   5.015 -15.143
  371    HG3  PRO  28           HG3      PRO  28  -7.813   3.501 -15.303
  372    HD2  PRO  28           HD2      PRO  28 -10.156   3.614 -13.875
  373    HD3  PRO  28           HD3      PRO  28  -8.781   2.576 -13.383
  374    H    LYS  29           H        LYS  29 -10.315   6.159 -12.878
  375    HA   LYS  29           HA       LYS  29  -9.809   8.748 -14.013
  376    HB2  LYS  29           HB2      LYS  29 -12.341   9.033 -13.768
  377    HB3  LYS  29           HB3      LYS  29 -11.718   7.784 -14.816
  378    HG2  LYS  29           HG2      LYS  29 -13.696   7.056 -13.614
  379    HG3  LYS  29           HG3      LYS  29 -12.312   6.030 -13.330
  380    HD2  LYS  29           HD2      LYS  29 -13.670   6.314 -11.321
  381    HD3  LYS  29           HD3      LYS  29 -12.025   6.874 -11.087
  382    HE2  LYS  29           HE2      LYS  29 -13.526   8.363  -9.960
  383    HE3  LYS  29           HE3      LYS  29 -12.765   9.220 -11.288
  384    HZ1  LYS  29           HZ1      LYS  29 -14.808   8.969 -12.566
  385    HZ2  LYS  29           HZ2      LYS  29 -15.127   9.682 -11.127
  386    HZ3  LYS  29           HZ3      LYS  29 -15.517   8.104 -11.353
  387    H    THR  30           H        THR  30 -10.470  10.797 -13.378
  388    HA   THR  30           HA       THR  30 -10.132  11.465 -10.517
  389    HB   THR  30           HB       THR  30 -10.303  13.827 -11.373
  390    HG1  THR  30           HG1      THR  30 -10.103  14.105 -13.598
  391   HG21  THR  30          HG21      THR  30  -8.074  13.875 -12.343
  392   HG22  THR  30          HG22      THR  30  -8.145  12.135 -12.702
  393   HG23  THR  30          HG23      THR  30  -8.115  12.697 -11.020
  394    H    ARG  31           H        ARG  31 -11.652  12.867  -9.448
  395    HA   ARG  31           HA       ARG  31 -13.641  13.118  -8.434
  396    HB2  ARG  31           HB2      ARG  31 -13.818  14.725 -10.342
  397    HB3  ARG  31           HB3      ARG  31 -14.779  13.527 -11.217
  398    HG2  ARG  31           HG2      ARG  31 -16.464  13.563  -9.351
  399    HG3  ARG  31           HG3      ARG  31 -15.473  14.770  -8.518
  400    HD2  ARG  31           HD2      ARG  31 -15.732  16.291 -10.498
  401    HD3  ARG  31           HD3      ARG  31 -16.780  15.086 -11.254
  402    HE   ARG  31           HE       ARG  31 -18.509  15.592  -9.767
  403   HH11  ARG  31          HH11      ARG  31 -15.688  17.428  -8.781
  404   HH12  ARG  31          HH12      ARG  31 -16.617  18.438  -7.708
  405   HH21  ARG  31          HH21      ARG  31 -19.625  16.944  -8.415
  406   HH22  ARG  31          HH22      ARG  31 -18.775  18.166  -7.515
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -5.865   5.994  -3.462
    2    H2   GLY   1           H2       GLY   1  -6.122   4.615  -2.613
    3    H3   GLY   1           H3       GLY   1  -7.392   5.427  -3.253
    4    HA2  GLY   1           HA2      GLY   1  -6.964   3.498  -4.578
    5    HA3  GLY   1           HA3      GLY   1  -6.638   4.976  -5.495
    6    H    ILE   2           H        ILE   2  -5.534   2.343  -6.032
    7    HA   ILE   2           HA       ILE   2  -2.781   2.328  -4.959
    8    HB   ILE   2           HB       ILE   2  -3.953   0.238  -4.954
    9   HG12  ILE   2          HG12      ILE   2  -1.990   0.132  -7.272
   10   HG13  ILE   2          HG13      ILE   2  -1.485   0.339  -5.582
   11   HG21  ILE   2          HG21      ILE   2  -5.629   0.662  -6.698
   12   HG22  ILE   2          HG22      ILE   2  -4.358   0.640  -7.940
   13   HG23  ILE   2          HG23      ILE   2  -4.767  -0.825  -6.988
   14   HD11  ILE   2          HD11      ILE   2  -2.508  -1.862  -5.038
   15   HD12  ILE   2          HD12      ILE   2  -2.888  -2.089  -6.764
   16   HD13  ILE   2          HD13      ILE   2  -1.197  -1.945  -6.238
   17    H    VAL   3           H        VAL   3  -4.297   2.674  -8.204
   18    HA   VAL   3           HA       VAL   3  -2.296   3.152  -9.911
   19    HB   VAL   3           HB       VAL   3  -4.529   5.183  -9.544
   20   HG11  VAL   3          HG11      VAL   3  -2.909   5.725 -11.325
   21   HG12  VAL   3          HG12      VAL   3  -3.116   4.108 -12.028
   22   HG13  VAL   3          HG13      VAL   3  -4.463   5.266 -12.020
   23   HG21  VAL   3          HG21      VAL   3  -5.964   3.800 -10.964
   24   HG22  VAL   3          HG22      VAL   3  -4.779   2.495 -10.937
   25   HG23  VAL   3          HG23      VAL   3  -5.624   2.974  -9.452
   26    H    GLU   4           H        GLU   4  -3.242   5.516  -7.397
   27    HA   GLU   4           HA       GLU   4  -1.431   7.499  -8.357
   28    HB2  GLU   4           HB2      GLU   4  -3.339   8.014  -6.916
   29    HB3  GLU   4           HB3      GLU   4  -2.607   7.130  -5.569
   30    HG2  GLU   4           HG2      GLU   4  -0.797   8.723  -5.403
   31    HG3  GLU   4           HG3      GLU   4  -1.260   9.497  -6.926
   32    H    GLN   5           H        GLN   5  -0.927   4.732  -6.307
   33    HA   GLN   5           HA       GLN   5   1.796   5.457  -5.486
   34    HB2  GLN   5           HB2      GLN   5  -0.256   3.793  -4.464
   35    HB3  GLN   5           HB3      GLN   5   0.966   2.667  -5.026
   36    HG2  GLN   5           HG2      GLN   5   1.454   5.001  -3.117
   37    HG3  GLN   5           HG3      GLN   5   1.213   3.328  -2.633
   38   HE21  GLN   5          HE21      GLN   5   3.591   5.642  -3.715
   39   HE22  GLN   5          HE22      GLN   5   4.908   4.493  -3.809
   40    H    CYS   6           H        CYS   6   0.248   3.061  -7.686
   41    HA   CYS   6           HA       CYS   6   2.828   1.953  -8.505
   42    HB2  CYS   6           HB2      CYS   6   0.110   1.328  -9.555
   43    HB3  CYS   6           HB3      CYS   6   1.641   0.456  -9.786
   44    H    CYS   7           H        CYS   7   0.700   4.406  -9.934
   45    HA   CYS   7           HA       CYS   7   2.076   4.171 -12.498
   46    HB2  CYS   7           HB2      CYS   7  -0.269   4.856 -12.355
   47    HB3  CYS   7           HB3      CYS   7   0.129   6.200 -11.331
   48    H    THR   8           H        THR   8   2.450   6.093  -9.530
   49    HA   THR   8           HA       THR   8   4.547   7.829 -10.669
   50    HB   THR   8           HB       THR   8   4.656   8.841  -8.476
   51    HG1  THR   8           HG1      THR   8   2.508   7.516  -7.422
   52   HG21  THR   8          HG21      THR   8   2.378   9.720  -8.316
   53   HG22  THR   8          HG22      THR   8   1.771   8.390  -9.335
   54   HG23  THR   8          HG23      THR   8   2.894   9.586 -10.018
   55    H    SER   9           H        SER   9   4.330   5.098  -8.399
   56    HA   SER   9           HA       SER   9   7.300   4.872  -8.360
   57    HB2  SER   9           HB2      SER   9   5.637   4.097  -5.983
   58    HB3  SER   9           HB3      SER   9   7.339   4.493  -6.067
   59    HG   SER   9           HG       SER   9   5.218   6.368  -6.422
   60    H    ILE  10           H        ILE  10   7.706   2.585  -7.086
   61    HA   ILE  10           HA       ILE  10   6.850   0.721  -9.143
   62    HB   ILE  10           HB       ILE  10   8.606  -0.747  -8.172
   63   HG12  ILE  10          HG12      ILE  10   9.153   1.666  -6.358
   64   HG13  ILE  10          HG13      ILE  10   8.531   0.103  -5.835
   65   HG21  ILE  10          HG21      ILE  10  10.375   0.599  -9.172
   66   HG22  ILE  10          HG22      ILE  10   8.867   0.898 -10.050
   67   HG23  ILE  10          HG23      ILE  10   9.456   2.095  -8.892
   68   HD11  ILE  10          HD11      ILE  10  11.264   0.681  -7.006
   69   HD12  ILE  10          HD12      ILE  10  10.868   0.263  -5.336
   70   HD13  ILE  10          HD13      ILE  10  10.659  -0.954  -6.620
   71    H    CYS  11           H        CYS  11   5.737  -1.048  -9.108
   72    HA   CYS  11           HA       CYS  11   4.715  -2.184  -6.545
   73    HB2  CYS  11           HB2      CYS  11   3.131  -1.330  -8.984
   74    HB3  CYS  11           HB3      CYS  11   2.511  -2.427  -7.757
   75    H    SER  12           H        SER  12   3.706  -4.252  -6.817
   76    HA   SER  12           HA       SER  12   4.390  -6.087  -8.993
   77    HB2  SER  12           HB2      SER  12   5.749  -7.527  -7.577
   78    HB3  SER  12           HB3      SER  12   6.500  -5.922  -7.633
   79    HG   SER  12           HG       SER  12   6.420  -6.638  -5.491
   80    H    LEU  13           H        LEU  13   3.840  -8.465  -7.767
   81    HA   LEU  13           HA       LEU  13   1.075  -8.476  -7.302
   82    HB2  LEU  13           HB2      LEU  13   2.577 -10.539  -5.807
   83    HB3  LEU  13           HB3      LEU  13   1.334 -10.744  -7.011
   84    HG   LEU  13           HG       LEU  13   4.315 -10.353  -7.508
   85   HD11  LEU  13          HD11      LEU  13   3.770 -12.501  -6.457
   86   HD12  LEU  13          HD12      LEU  13   4.238 -12.754  -8.147
   87   HD13  LEU  13          HD13      LEU  13   2.526 -12.817  -7.686
   88   HD21  LEU  13          HD21      LEU  13   2.965  -9.597  -9.502
   89   HD22  LEU  13          HD22      LEU  13   2.238 -11.225  -9.556
   90   HD23  LEU  13          HD23      LEU  13   3.969 -11.013  -9.810
   91    H    TYR  14           H        TYR  14   3.708  -7.907  -5.077
   92    HA   TYR  14           HA       TYR  14   2.372  -8.184  -2.599
   93    HB2  TYR  14           HB2      TYR  14   4.939  -7.606  -3.527
   94    HB3  TYR  14           HB3      TYR  14   4.480  -6.101  -2.786
   95    HD1  TYR  14           HD1      TYR  14   5.019  -9.718  -2.347
   96    HD2  TYR  14           HD2      TYR  14   4.214  -6.009  -0.304
   97    HE1  TYR  14           HE1      TYR  14   5.553 -10.806  -0.147
   98    HE2  TYR  14           HE2      TYR  14   4.755  -7.083   1.881
   99    HH   TYR  14           HH       TYR  14   5.394  -9.011   2.952
  100    H    GLN  15           H        GLN  15   2.076  -5.629  -4.988
  101    HA   GLN  15           HA       GLN  15   0.495  -3.936  -3.070
  102    HB2  GLN  15           HB2      GLN  15   1.760  -3.213  -5.729
  103    HB3  GLN  15           HB3      GLN  15   0.806  -2.140  -4.703
  104    HG2  GLN  15           HG2      GLN  15   2.901  -3.265  -3.052
  105    HG3  GLN  15           HG3      GLN  15   3.632  -2.786  -4.565
  106   HE21  GLN  15          HE21      GLN  15   4.384  -0.607  -4.507
  107   HE22  GLN  15          HE22      GLN  15   3.607   0.637  -3.551
  108    H    LEU  16           H        LEU  16   0.456  -5.282  -6.408
  109    HA   LEU  16           HA       LEU  16  -2.170  -4.381  -7.140
  110    HB2  LEU  16           HB2      LEU  16  -0.306  -6.545  -8.108
  111    HB3  LEU  16           HB3      LEU  16  -1.895  -6.251  -8.845
  112    HG   LEU  16           HG       LEU  16   0.040  -5.342 -10.038
  113   HD11  LEU  16          HD11      LEU  16  -1.162  -3.386 -10.750
  114   HD12  LEU  16          HD12      LEU  16  -1.919  -3.215  -9.150
  115   HD13  LEU  16          HD13      LEU  16  -2.385  -4.537 -10.226
  116   HD21  LEU  16          HD21      LEU  16   0.804  -3.049  -9.427
  117   HD22  LEU  16          HD22      LEU  16   1.361  -4.281  -8.295
  118   HD23  LEU  16          HD23      LEU  16  -0.019  -3.226  -7.858
  119    H    GLU  17           H        GLU  17  -1.261  -7.285  -5.274
  120    HA   GLU  17           HA       GLU  17  -3.725  -8.629  -5.912
  121    HB2  GLU  17           HB2      GLU  17  -1.440  -9.580  -5.128
  122    HB3  GLU  17           HB3      GLU  17  -2.099  -9.353  -3.489
  123    HG2  GLU  17           HG2      GLU  17  -4.091 -10.767  -4.301
  124    HG3  GLU  17           HG3      GLU  17  -3.200 -10.980  -5.822
  125    H    ASN  18           H        ASN  18  -3.382  -5.914  -4.286
  126    HA   ASN  18           HA       ASN  18  -5.619  -6.199  -2.366
  127    HB2  ASN  18           HB2      ASN  18  -3.936  -3.843  -3.350
  128    HB3  ASN  18           HB3      ASN  18  -5.309  -3.652  -2.291
  129   HD21  ASN  18          HD21      ASN  18  -1.989  -4.561  -2.480
  130   HD22  ASN  18          HD22      ASN  18  -1.775  -4.924  -0.760
  131    H    TYR  19           H        TYR  19  -5.313  -5.702  -5.828
  132    HA   TYR  19           HA       TYR  19  -7.781  -4.064  -6.039
  133    HB2  TYR  19           HB2      TYR  19  -5.849  -5.398  -7.943
  134    HB3  TYR  19           HB3      TYR  19  -7.413  -4.862  -8.500
  135    HD1  TYR  19           HD1      TYR  19  -4.132  -3.944  -8.289
  136    HD2  TYR  19           HD2      TYR  19  -8.116  -2.424  -7.926
  137    HE1  TYR  19           HE1      TYR  19  -3.533  -2.097  -9.804
  138    HE2  TYR  19           HE2      TYR  19  -7.433  -0.321  -9.129
  139    HH   TYR  19           HH       TYR  19  -4.257  -0.146 -10.813
  140    H    CYS  20           H        CYS  20  -6.822  -7.445  -6.307
  141    HA   CYS  20           HA       CYS  20  -8.733  -8.446  -7.884
  142    HB2  CYS  20           HB2      CYS  20  -8.098  -9.958  -5.381
  143    HB3  CYS  20           HB3      CYS  20  -8.354 -10.552  -7.030
  144    H    ASN  21           H        ASN  21 -10.677  -9.728  -7.507
  145    HA   ASN  21           HA       ASN  21 -12.424  -8.506  -5.554
  146    HB2  ASN  21           HB2      ASN  21 -14.203  -9.894  -6.559
  147    HB3  ASN  21           HB3      ASN  21 -13.260  -9.060  -7.785
  148   HD21  ASN  21          HD21      ASN  21 -14.380 -10.784  -9.136
  149   HD22  ASN  21          HD22      ASN  21 -13.464 -12.290  -9.312
  150    H    SER  22           H        SER  22 -13.886  -9.944  -4.226
  151    HA   SER  22           HA       SER  22 -12.326 -11.925  -2.619
  152    HB2  SER  22           HB2      SER  22 -14.603 -10.107  -1.753
  153    HB3  SER  22           HB3      SER  22 -13.841 -11.357  -0.755
  154    HG   SER  22           HG       SER  22 -12.494  -9.126  -1.952
  155    H1   PHE   1           H1       PHE   1   9.370 -12.151 -12.675
  156    H2   PHE   1           H2       PHE   1   7.895 -12.792 -12.347
  157    H3   PHE   1           H3       PHE   1   8.882 -12.312 -11.127
  158    HA   PHE   1           HA       PHE   1   7.667 -10.543 -13.135
  159    HB2  PHE   1           HB2      PHE   1   6.219  -9.687 -11.405
  160    HB3  PHE   1           HB3      PHE   1   5.999 -11.416 -11.526
  161    HD1  PHE   1           HD1      PHE   1   7.296  -8.659  -9.403
  162    HD2  PHE   1           HD2      PHE   1   6.611 -12.920  -9.684
  163    HE1  PHE   1           HE1      PHE   1   7.682  -8.894  -6.966
  164    HE2  PHE   1           HE2      PHE   1   6.994 -13.137  -7.248
  165    HZ   PHE   1           HZ       PHE   1   7.516 -11.122  -5.878
  166    H    VAL   2           H        VAL   2   7.732  -8.183 -12.283
  167    HA   VAL   2           HA       VAL   2  10.379  -7.529 -11.101
  168    HB   VAL   2           HB       VAL   2  10.652  -7.576 -13.501
  169   HG11  VAL   2          HG11      VAL   2   8.433  -5.502 -13.733
  170   HG12  VAL   2          HG12      VAL   2   9.513  -6.038 -15.032
  171   HG13  VAL   2          HG13      VAL   2   8.363  -7.174 -14.317
  172   HG21  VAL   2          HG21      VAL   2  11.842  -5.870 -12.169
  173   HG22  VAL   2          HG22      VAL   2  11.574  -5.398 -13.855
  174   HG23  VAL   2          HG23      VAL   2  10.563  -4.695 -12.580
  175    H    LYS   3           H        LYS   3  10.426  -5.703  -9.821
  176    HA   LYS   3           HA       LYS   3   7.915  -4.352  -9.124
  177    HB2  LYS   3           HB2      LYS   3  10.790  -3.777  -8.320
  178    HB3  LYS   3           HB3      LYS   3   9.341  -2.975  -7.679
  179    HG2  LYS   3           HG2      LYS   3   8.493  -5.116  -6.818
  180    HG3  LYS   3           HG3      LYS   3   9.924  -5.960  -7.411
  181    HD2  LYS   3           HD2      LYS   3   9.907  -3.746  -5.315
  182    HD3  LYS   3           HD3      LYS   3  10.008  -5.485  -4.988
  183    HE2  LYS   3           HE2      LYS   3  12.146  -5.581  -6.303
  184    HE3  LYS   3           HE3      LYS   3  12.060  -3.833  -6.546
  185    HZ1  LYS   3           HZ1      LYS   3  12.197  -3.544  -4.136
  186    HZ2  LYS   3           HZ2      LYS   3  13.476  -4.406  -4.659
  187    HZ3  LYS   3           HZ3      LYS   3  12.250  -5.165  -3.893
  188    H    GLN   4           H        GLN   4   7.067  -2.803 -10.341
  189    HA   GLN   4           HA       GLN   4   8.801  -0.978 -11.952
  190    HB2  GLN   4           HB2      GLN   4   8.238  -3.206 -13.106
  191    HB3  GLN   4           HB3      GLN   4   6.559  -2.638 -13.164
  192    HG2  GLN   4           HG2      GLN   4   7.077  -0.960 -14.735
  193    HG3  GLN   4           HG3      GLN   4   8.792  -0.927 -14.294
  194   HE21  GLN   4          HE21      GLN   4   6.511  -3.558 -15.419
  195   HE22  GLN   4          HE22      GLN   4   7.657  -4.154 -16.611
  196    H    HIS   5           H        HIS   5   7.777   0.876 -12.795
  197    HA   HIS   5           HA       HIS   5   5.270   1.700 -11.484
  198    HB2  HIS   5           HB2      HIS   5   5.748   3.880 -12.637
  199    HB3  HIS   5           HB3      HIS   5   6.856   3.382 -11.365
  200    HD1  HIS   5           HD1      HIS   5   9.323   3.813 -12.005
  201    HD2  HIS   5           HD2      HIS   5   6.831   2.956 -15.286
  202    HE1  HIS   5           HE1      HIS   5  10.806   3.930 -14.076
  203    H    LEU   6           H        LEU   6   3.394   1.932 -12.458
  204    HA   LEU   6           HA       LEU   6   2.969   1.436 -15.359
  205    HB2  LEU   6           HB2      LEU   6   1.651  -0.201 -13.187
  206    HB3  LEU   6           HB3      LEU   6   1.562  -0.463 -14.895
  207    HG   LEU   6           HG       LEU   6   4.104  -0.839 -13.347
  208   HD11  LEU   6          HD11      LEU   6   3.584  -3.179 -13.261
  209   HD12  LEU   6          HD12      LEU   6   1.970  -2.866 -13.926
  210   HD13  LEU   6          HD13      LEU   6   2.431  -2.220 -12.337
  211   HD21  LEU   6          HD21      LEU   6   4.232  -0.742 -15.922
  212   HD22  LEU   6          HD22      LEU   6   3.214  -2.210 -15.897
  213   HD23  LEU   6          HD23      LEU   6   4.810  -2.230 -15.147
  214    H    CYS   7           H        CYS   7   1.042   2.235 -16.073
  215    HA   CYS   7           HA       CYS   7  -0.783   3.674 -14.198
  216    HB2  CYS   7           HB2      CYS   7   0.313   4.582 -16.884
  217    HB3  CYS   7           HB3      CYS   7  -0.801   5.479 -15.867
  218    H    GLY   8           H        GLY   8  -2.867   2.891 -14.511
  219    HA2  GLY   8           HA2      GLY   8  -4.799   2.222 -15.603
  220    HA3  GLY   8           HA3      GLY   8  -4.133   2.994 -17.054
  221    H    SER   9           H        SER   9  -3.760   1.657 -18.751
  222    HA   SER   9           HA       SER   9  -4.273  -1.103 -18.825
  223    HB2  SER   9           HB2      SER   9  -2.415   0.543 -20.611
  224    HB3  SER   9           HB3      SER   9  -3.171  -1.014 -21.040
  225    HG   SER   9           HG       SER   9  -4.354   0.771 -21.874
  226    H    HIS  10           H        HIS  10  -1.050   0.481 -18.342
  227    HA   HIS  10           HA       HIS  10   0.435  -2.043 -18.370
  228    HB2  HIS  10           HB2      HIS  10   1.046   0.636 -17.060
  229    HB3  HIS  10           HB3      HIS  10   2.181  -0.690 -17.153
  230    HD1  HIS  10           HD1      HIS  10   2.981  -1.260 -19.856
  231    HD2  HIS  10           HD2      HIS  10   0.833   2.235 -18.988
  232    HE1  HIS  10           HE1      HIS  10   3.288   0.269 -21.876
  233    H    LEU  11           H        LEU  11  -1.250  -0.145 -15.886
  234    HA   LEU  11           HA       LEU  11  -0.088  -1.620 -13.704
  235    HB2  LEU  11           HB2      LEU  11  -0.972   0.790 -13.694
  236    HB3  LEU  11           HB3      LEU  11  -2.589   0.113 -13.684
  237    HG   LEU  11           HG       LEU  11  -2.302  -0.841 -11.576
  238   HD11  LEU  11          HD11      LEU  11  -0.402  -0.828 -10.169
  239   HD12  LEU  11          HD12      LEU  11   0.554   0.002 -11.446
  240   HD13  LEU  11          HD13      LEU  11  -0.012  -1.673 -11.642
  241   HD21  LEU  11          HD21      LEU  11  -1.156   1.926 -11.432
  242   HD22  LEU  11          HD22      LEU  11  -2.087   1.031 -10.180
  243   HD23  LEU  11          HD23      LEU  11  -2.861   1.497 -11.713
  244    H    VAL  12           H        VAL  12  -3.132  -1.742 -15.535
  245    HA   VAL  12           HA       VAL  12  -4.221  -4.051 -14.267
  246    HB   VAL  12           HB       VAL  12  -4.588  -2.957 -17.077
  247   HG11  VAL  12          HG11      VAL  12  -5.986  -5.337 -15.795
  248   HG12  VAL  12          HG12      VAL  12  -6.603  -4.458 -17.213
  249   HG13  VAL  12          HG13      VAL  12  -5.063  -5.319 -17.317
  250   HG21  VAL  12          HG21      VAL  12  -6.800  -2.320 -16.193
  251   HG22  VAL  12          HG22      VAL  12  -6.400  -3.068 -14.634
  252   HG23  VAL  12          HG23      VAL  12  -5.518  -1.637 -15.188
  253    H    GLU  13           H        GLU  13  -1.582  -3.710 -16.741
  254    HA   GLU  13           HA       GLU  13  -1.635  -6.482 -17.490
  255    HB2  GLU  13           HB2      GLU  13  -0.479  -4.563 -18.722
  256    HB3  GLU  13           HB3      GLU  13   0.826  -4.704 -17.540
  257    HG2  GLU  13           HG2      GLU  13   1.207  -7.053 -18.205
  258    HG3  GLU  13           HG3      GLU  13  -0.157  -6.963 -19.324
  259    H    ALA  14           H        ALA  14  -0.380  -4.854 -14.636
  260    HA   ALA  14           HA       ALA  14   0.969  -7.323 -13.642
  261    HB1  ALA  14           HB1      ALA  14   1.395  -5.942 -11.670
  262    HB2  ALA  14           HB2      ALA  14   2.019  -5.160 -13.167
  263    HB3  ALA  14           HB3      ALA  14   0.523  -4.567 -12.420
  264    H    LEU  15           H        LEU  15  -1.880  -5.249 -12.821
  265    HA   LEU  15           HA       LEU  15  -3.034  -6.680 -10.801
  266    HB2  LEU  15           HB2      LEU  15  -3.651  -4.526 -12.259
  267    HB3  LEU  15           HB3      LEU  15  -4.733  -5.674 -13.069
  268    HG   LEU  15           HG       LEU  15  -4.638  -4.928 -10.160
  269   HD11  LEU  15          HD11      LEU  15  -5.603  -3.207 -11.611
  270   HD12  LEU  15          HD12      LEU  15  -6.926  -3.994 -10.737
  271   HD13  LEU  15          HD13      LEU  15  -6.582  -4.410 -12.435
  272   HD21  LEU  15          HD21      LEU  15  -6.695  -6.300  -9.981
  273   HD22  LEU  15          HD22      LEU  15  -5.211  -7.183 -10.196
  274   HD23  LEU  15          HD23      LEU  15  -6.296  -6.981 -11.590
  275    H    TYR  16           H        TYR  16  -3.407  -7.258 -14.273
  276    HA   TYR  16           HA       TYR  16  -5.269  -9.415 -14.145
  277    HB2  TYR  16           HB2      TYR  16  -4.762  -7.716 -15.993
  278    HB3  TYR  16           HB3      TYR  16  -3.364  -8.693 -16.421
  279    HD1  TYR  16           HD1      TYR  16  -6.438  -7.807 -17.449
  280    HD2  TYR  16           HD2      TYR  16  -4.213 -11.416 -16.649
  281    HE1  TYR  16           HE1      TYR  16  -8.063  -9.155 -18.821
  282    HE2  TYR  16           HE2      TYR  16  -5.840 -12.753 -17.880
  283    HH   TYR  16           HH       TYR  16  -7.764 -12.715 -19.176
  284    H    LEU  17           H        LEU  17  -1.736  -9.316 -13.916
  285    HA   LEU  17           HA       LEU  17  -1.388 -12.197 -14.378
  286    HB2  LEU  17           HB2      LEU  17   0.347 -10.406 -14.817
  287    HB3  LEU  17           HB3      LEU  17   0.390 -10.028 -13.125
  288    HG   LEU  17           HG       LEU  17   1.160 -12.248 -12.507
  289   HD11  LEU  17          HD11      LEU  17   0.381 -13.615 -14.406
  290   HD12  LEU  17          HD12      LEU  17   2.138 -13.735 -14.273
  291   HD13  LEU  17          HD13      LEU  17   1.420 -12.695 -15.521
  292   HD21  LEU  17          HD21      LEU  17   2.887 -10.828 -14.574
  293   HD22  LEU  17          HD22      LEU  17   3.473 -11.956 -13.329
  294   HD23  LEU  17          HD23      LEU  17   2.750 -10.412 -12.846
  295    H    VAL  18           H        VAL  18  -1.620  -9.868 -11.806
  296    HA   VAL  18           HA       VAL  18  -0.989 -11.544  -9.567
  297    HB   VAL  18           HB       VAL  18  -2.044  -8.685  -9.919
  298   HG11  VAL  18          HG11      VAL  18  -2.694  -9.360  -7.706
  299   HG12  VAL  18          HG12      VAL  18  -1.174 -10.240  -7.445
  300   HG13  VAL  18          HG13      VAL  18  -1.170  -8.476  -7.527
  301   HG21  VAL  18          HG21      VAL  18   0.284  -8.090  -9.527
  302   HG22  VAL  18          HG22      VAL  18   0.645  -9.756  -9.013
  303   HG23  VAL  18          HG23      VAL  18   0.365  -9.400 -10.697
  304    H    CYS  19           H        CYS  19  -3.927 -10.528 -11.036
  305    HA   CYS  19           HA       CYS  19  -5.665 -11.969  -9.024
  306    HB2  CYS  19           HB2      CYS  19  -6.255  -9.364 -10.459
  307    HB3  CYS  19           HB3      CYS  19  -7.282 -10.190  -9.291
  308    H    GLY  20           H        GLY  20  -5.020 -11.381 -12.383
  309    HA2  GLY  20           HA2      GLY  20  -7.591 -11.249 -13.465
  310    HA3  GLY  20           HA3      GLY  20  -6.215 -11.852 -14.367
  311    H    GLU  21           H        GLU  21  -6.140 -14.253 -12.374
  312    HA   GLU  21           HA       GLU  21  -8.103 -15.895 -13.804
  313    HB2  GLU  21           HB2      GLU  21  -6.116 -16.623 -11.612
  314    HB3  GLU  21           HB3      GLU  21  -7.122 -17.772 -12.505
  315    HG2  GLU  21           HG2      GLU  21  -6.064 -16.979 -14.640
  316    HG3  GLU  21           HG3      GLU  21  -4.965 -15.976 -13.691
  317    H    ARG  22           H        ARG  22  -8.223 -14.088 -10.926
  318    HA   ARG  22           HA       ARG  22 -10.680 -15.525  -9.943
  319    HB2  ARG  22           HB2      ARG  22  -8.790 -13.572  -8.523
  320    HB3  ARG  22           HB3      ARG  22 -10.335 -14.134  -7.888
  321    HG2  ARG  22           HG2      ARG  22  -9.078 -15.705  -6.848
  322    HG3  ARG  22           HG3      ARG  22  -9.323 -16.561  -8.360
  323    HD2  ARG  22           HD2      ARG  22  -7.020 -16.776  -7.837
  324    HD3  ARG  22           HD3      ARG  22  -7.100 -15.596  -9.153
  325    HE   ARG  22           HE       ARG  22  -7.101 -14.535  -6.386
  326   HH11  ARG  22          HH11      ARG  22  -4.990 -15.275  -9.103
  327   HH12  ARG  22          HH12      ARG  22  -3.871 -14.000  -8.642
  328   HH21  ARG  22          HH21      ARG  22  -5.532 -13.029  -5.855
  329   HH22  ARG  22          HH22      ARG  22  -4.181 -12.804  -6.949
  330    H    GLY  23           H        GLY  23  -9.416 -12.459 -11.044
  331    HA2  GLY  23           HA2      GLY  23 -10.801 -10.826 -12.185
  332    HA3  GLY  23           HA3      GLY  23 -12.159 -11.237 -11.148
  333    H    PHE  24           H        PHE  24 -11.568  -8.704 -11.428
  334    HA   PHE  24           HA       PHE  24 -10.557  -7.557  -8.929
  335    HB2  PHE  24           HB2      PHE  24  -8.795  -6.316 -10.074
  336    HB3  PHE  24           HB3      PHE  24  -8.477  -8.035 -10.051
  337    HD1  PHE  24           HD1      PHE  24  -8.734  -9.410 -12.184
  338    HD2  PHE  24           HD2      PHE  24  -8.778  -5.111 -12.117
  339    HE1  PHE  24           HE1      PHE  24  -8.159  -9.371 -14.597
  340    HE2  PHE  24           HE2      PHE  24  -8.017  -5.073 -14.508
  341    HZ   PHE  24           HZ       PHE  24  -7.798  -7.201 -15.748
  342    H    PHE  25           H        PHE  25 -10.451  -5.136  -9.069
  343    HA   PHE  25           HA       PHE  25 -12.308  -3.876 -11.037
  344    HB2  PHE  25           HB2      PHE  25 -13.569  -4.449  -8.993
  345    HB3  PHE  25           HB3      PHE  25 -12.381  -3.635  -7.999
  346    HD1  PHE  25           HD1      PHE  25 -14.905  -3.057 -10.722
  347    HD2  PHE  25           HD2      PHE  25 -12.648  -1.327  -7.480
  348    HE1  PHE  25           HE1      PHE  25 -16.307  -1.005 -10.836
  349    HE2  PHE  25           HE2      PHE  25 -14.057   0.707  -7.585
  350    HZ   PHE  25           HZ       PHE  25 -15.894   0.879  -9.262
  351    H    TYR  26           H        TYR  26 -10.729  -2.830 -12.122
  352    HA   TYR  26           HA       TYR  26  -8.354  -1.728 -10.881
  353    HB2  TYR  26           HB2      TYR  26  -7.750  -1.232 -13.261
  354    HB3  TYR  26           HB3      TYR  26  -8.129  -2.904 -12.913
  355    HD1  TYR  26           HD1      TYR  26 -10.079  -4.011 -13.743
  356    HD2  TYR  26           HD2      TYR  26  -9.314   0.126 -14.673
  357    HE1  TYR  26           HE1      TYR  26 -11.940  -4.050 -15.405
  358    HE2  TYR  26           HE2      TYR  26 -11.124   0.069 -16.389
  359    HH   TYR  26           HH       TYR  26 -12.769  -1.172 -17.398
  360    H    THR  27           H        THR  27 -11.356  -0.336 -11.179
  361    HA   THR  27           HA       THR  27 -11.069   2.159 -12.336
  362    HB   THR  27           HB       THR  27 -12.694   1.403  -9.906
  363    HG1  THR  27           HG1      THR  27 -14.207   0.740 -11.382
  364   HG21  THR  27          HG21      THR  27 -13.177   3.543 -12.034
  365   HG22  THR  27          HG22      THR  27 -12.844   3.829 -10.306
  366   HG23  THR  27          HG23      THR  27 -14.355   3.048 -10.799
  367    HA   PRO  28           HA       PRO  28  -8.430   4.403  -9.379
  368    HB2  PRO  28           HB2      PRO  28  -9.543   6.796 -10.838
  369    HB3  PRO  28           HB3      PRO  28  -7.847   6.417 -10.417
  370    HG2  PRO  28           HG2      PRO  28  -8.758   6.084 -12.954
  371    HG3  PRO  28           HG3      PRO  28  -7.672   4.858 -12.225
  372    HD2  PRO  28           HD2      PRO  28 -10.691   4.776 -12.475
  373    HD3  PRO  28           HD3      PRO  28  -9.486   3.497 -12.823
  374    H    LYS  29           H        LYS  29  -8.995   4.953  -7.340
  375    HA   LYS  29           HA       LYS  29 -11.485   6.384  -6.678
  376    HB2  LYS  29           HB2      LYS  29 -11.768   3.713  -6.976
  377    HB3  LYS  29           HB3      LYS  29 -10.995   3.670  -5.407
  378    HG2  LYS  29           HG2      LYS  29 -13.218   3.588  -4.859
  379    HG3  LYS  29           HG3      LYS  29 -12.934   5.308  -4.666
  380    HD2  LYS  29           HD2      LYS  29 -14.186   3.953  -7.103
  381    HD3  LYS  29           HD3      LYS  29 -15.074   4.731  -5.798
  382    HE2  LYS  29           HE2      LYS  29 -13.971   6.909  -6.362
  383    HE3  LYS  29           HE3      LYS  29 -13.166   6.122  -7.734
  384    HZ1  LYS  29           HZ1      LYS  29 -15.347   5.635  -8.668
  385    HZ2  LYS  29           HZ2      LYS  29 -15.198   7.242  -8.428
  386    HZ3  LYS  29           HZ3      LYS  29 -16.105   6.346  -7.408
  387    H    THR  30           H        THR  30 -11.694   6.682  -4.286
  388    HA   THR  30           HA       THR  30 -10.882   7.688  -2.416
  389    HB   THR  30           HB       THR  30  -9.592   6.208  -0.943
  390    HG1  THR  30           HG1      THR  30  -9.152   4.098  -1.762
  391   HG21  THR  30          HG21      THR  30 -12.048   5.923  -1.231
  392   HG22  THR  30          HG22      THR  30 -11.220   4.405  -0.847
  393   HG23  THR  30          HG23      THR  30 -11.747   4.727  -2.514
  394    H    ARG  31           H        ARG  31  -9.747   9.010  -4.396
  395    HA   ARG  31           HA       ARG  31  -6.927   9.589  -3.580
  396    HB2  ARG  31           HB2      ARG  31  -8.523  10.615  -5.963
  397    HB3  ARG  31           HB3      ARG  31  -6.859  11.038  -5.554
  398    HG2  ARG  31           HG2      ARG  31  -6.254   8.570  -5.767
  399    HG3  ARG  31           HG3      ARG  31  -7.897   8.286  -6.355
  400    HD2  ARG  31           HD2      ARG  31  -6.472   8.479  -8.271
  401    HD3  ARG  31           HD3      ARG  31  -7.493   9.927  -8.206
  402    HE   ARG  31           HE       ARG  31  -4.908  10.273  -6.865
  403   HH11  ARG  31          HH11      ARG  31  -6.376  10.525 -10.058
  404   HH12  ARG  31          HH12      ARG  31  -5.129  11.616 -10.592
  405   HH21  ARG  31          HH21      ARG  31  -3.463  11.526  -7.565
  406   HH22  ARG  31          HH22      ARG  31  -3.462  12.195  -9.203
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -6.182   5.592  -3.560
    2    H2   GLY   1           H2       GLY   1  -7.317   6.358  -4.460
    3    H3   GLY   1           H3       GLY   1  -5.736   6.753  -4.624
    4    HA2  GLY   1           HA2      GLY   1  -6.920   4.142  -5.325
    5    HA3  GLY   1           HA3      GLY   1  -6.485   5.403  -6.493
    6    H    ILE   2           H        ILE   2  -5.476   2.627  -6.269
    7    HA   ILE   2           HA       ILE   2  -2.807   2.623  -5.093
    8    HB   ILE   2           HB       ILE   2  -3.953   0.558  -5.139
    9   HG12  ILE   2          HG12      ILE   2  -2.149   0.247  -7.564
   10   HG13  ILE   2          HG13      ILE   2  -1.482   0.572  -5.945
   11   HG21  ILE   2          HG21      ILE   2  -5.660   0.992  -6.849
   12   HG22  ILE   2          HG22      ILE   2  -4.412   0.995  -8.125
   13   HG23  ILE   2          HG23      ILE   2  -4.801  -0.481  -7.185
   14   HD11  ILE   2          HD11      ILE   2  -2.472  -1.527  -5.123
   15   HD12  ILE   2          HD12      ILE   2  -3.097  -1.880  -6.756
   16   HD13  ILE   2          HD13      ILE   2  -1.353  -1.770  -6.492
   17    H    VAL   3           H        VAL   3  -4.071   3.045  -8.371
   18    HA   VAL   3           HA       VAL   3  -1.964   3.437 -10.010
   19    HB   VAL   3           HB       VAL   3  -4.187   5.484  -9.645
   20   HG11  VAL   3          HG11      VAL   3  -4.002   5.697 -12.120
   21   HG12  VAL   3          HG12      VAL   3  -2.495   6.138 -11.320
   22   HG13  VAL   3          HG13      VAL   3  -2.634   4.558 -12.117
   23   HG21  VAL   3          HG21      VAL   3  -5.529   4.174 -11.252
   24   HG22  VAL   3          HG22      VAL   3  -4.360   2.850 -11.160
   25   HG23  VAL   3          HG23      VAL   3  -5.308   3.319  -9.731
   26    H    GLU   4           H        GLU   4  -2.845   5.740  -7.403
   27    HA   GLU   4           HA       GLU   4  -1.018   7.713  -8.323
   28    HB2  GLU   4           HB2      GLU   4  -2.900   8.154  -6.777
   29    HB3  GLU   4           HB3      GLU   4  -2.066   7.262  -5.494
   30    HG2  GLU   4           HG2      GLU   4  -0.241   8.893  -5.478
   31    HG3  GLU   4           HG3      GLU   4  -0.928   9.724  -6.879
   32    H    GLN   5           H        GLN   5  -0.570   4.907  -6.273
   33    HA   GLN   5           HA       GLN   5   2.189   5.500  -5.511
   34    HB2  GLN   5           HB2      GLN   5   0.418   4.092  -4.237
   35    HB3  GLN   5           HB3      GLN   5   0.723   2.820  -5.382
   36    HG2  GLN   5           HG2      GLN   5   2.041   2.357  -3.457
   37    HG3  GLN   5           HG3      GLN   5   3.143   2.804  -4.750
   38   HE21  GLN   5          HE21      GLN   5   4.354   4.830  -4.525
   39   HE22  GLN   5          HE22      GLN   5   4.356   5.688  -2.991
   40    H    CYS   6           H        CYS   6   0.558   3.163  -7.608
   41    HA   CYS   6           HA       CYS   6   2.971   1.927  -8.535
   42    HB2  CYS   6           HB2      CYS   6   0.189   1.714  -9.649
   43    HB3  CYS   6           HB3      CYS   6   1.546   0.653 -10.043
   44    H    CYS   7           H        CYS   7   1.043   4.526 -10.018
   45    HA   CYS   7           HA       CYS   7   2.436   4.284 -12.566
   46    HB2  CYS   7           HB2      CYS   7   0.119   5.069 -12.393
   47    HB3  CYS   7           HB3      CYS   7   0.595   6.404 -11.370
   48    H    THR   8           H        THR   8   2.807   6.276  -9.589
   49    HA   THR   8           HA       THR   8   4.954   7.924 -10.769
   50    HB   THR   8           HB       THR   8   5.058   9.078  -8.667
   51    HG1  THR   8           HG1      THR   8   2.889   7.729  -7.563
   52   HG21  THR   8          HG21      THR   8   2.834  10.040  -8.563
   53   HG22  THR   8          HG22      THR   8   2.155   8.657  -9.464
   54   HG23  THR   8          HG23      THR   8   3.312   9.761 -10.247
   55    H    SER   9           H        SER   9   4.685   5.307  -8.365
   56    HA   SER   9           HA       SER   9   7.657   5.077  -8.359
   57    HB2  SER   9           HB2      SER   9   6.806   5.757  -6.191
   58    HB3  SER   9           HB3      SER   9   5.755   4.331  -6.116
   59    HG   SER   9           HG       SER   9   7.836   4.211  -5.000
   60    H    ILE  10           H        ILE  10   6.995   2.400  -6.933
   61    HA   ILE  10           HA       ILE  10   6.525   0.807  -9.406
   62    HB   ILE  10           HB       ILE  10   8.427  -0.649  -8.622
   63   HG12  ILE  10          HG12      ILE  10   8.911   1.692  -6.712
   64   HG13  ILE  10          HG13      ILE  10   8.599   0.019  -6.291
   65   HG21  ILE  10          HG21      ILE  10  10.088   0.709  -9.714
   66   HG22  ILE  10          HG22      ILE  10   8.530   1.019 -10.482
   67   HG23  ILE  10          HG23      ILE  10   9.198   2.203  -9.332
   68   HD11  ILE  10          HD11      ILE  10  10.911   0.554  -5.963
   69   HD12  ILE  10          HD12      ILE  10  10.814  -0.561  -7.355
   70   HD13  ILE  10          HD13      ILE  10  11.063   1.199  -7.600
   71    H    CYS  11           H        CYS  11   5.569  -1.120  -9.279
   72    HA   CYS  11           HA       CYS  11   4.593  -2.094  -6.632
   73    HB2  CYS  11           HB2      CYS  11   3.008  -1.354  -9.098
   74    HB3  CYS  11           HB3      CYS  11   2.385  -2.441  -7.859
   75    H    SER  12           H        SER  12   3.518  -4.156  -6.720
   76    HA   SER  12           HA       SER  12   4.396  -6.245  -8.586
   77    HB2  SER  12           HB2      SER  12   6.376  -5.834  -7.126
   78    HB3  SER  12           HB3      SER  12   5.365  -6.099  -5.696
   79    HG   SER  12           HG       SER  12   6.540  -7.985  -6.333
   80    H    LEU  13           H        LEU  13   3.651  -8.476  -7.274
   81    HA   LEU  13           HA       LEU  13   0.856  -8.413  -7.035
   82    HB2  LEU  13           HB2      LEU  13   2.421 -10.372  -5.356
   83    HB3  LEU  13           HB3      LEU  13   0.932 -10.593  -6.226
   84    HG   LEU  13           HG       LEU  13   2.766 -10.211  -8.315
   85   HD11  LEU  13          HD11      LEU  13   4.646 -11.733  -7.737
   86   HD12  LEU  13          HD12      LEU  13   4.091 -11.786  -6.060
   87   HD13  LEU  13          HD13      LEU  13   4.665 -10.257  -6.753
   88   HD21  LEU  13          HD21      LEU  13   1.992 -12.842  -6.989
   89   HD22  LEU  13          HD22      LEU  13   2.597 -12.625  -8.648
   90   HD23  LEU  13          HD23      LEU  13   1.023 -11.958  -8.191
   91    H    TYR  14           H        TYR  14   3.301  -7.840  -4.596
   92    HA   TYR  14           HA       TYR  14   1.877  -7.852  -2.204
   93    HB2  TYR  14           HB2      TYR  14   4.423  -7.148  -3.116
   94    HB3  TYR  14           HB3      TYR  14   3.815  -5.623  -2.521
   95    HD1  TYR  14           HD1      TYR  14   3.411  -5.332  -0.079
   96    HD2  TYR  14           HD2      TYR  14   4.665  -9.113  -1.724
   97    HE1  TYR  14           HE1      TYR  14   3.961  -6.139   2.216
   98    HE2  TYR  14           HE2      TYR  14   5.214  -9.936   0.590
   99    HH   TYR  14           HH       TYR  14   4.747  -7.879   3.489
  100    H    GLN  15           H        GLN  15   1.718  -5.388  -4.769
  101    HA   GLN  15           HA       GLN  15  -0.052  -3.643  -3.128
  102    HB2  GLN  15           HB2      GLN  15   1.361  -3.272  -5.789
  103    HB3  GLN  15           HB3      GLN  15   0.381  -2.048  -5.011
  104    HG2  GLN  15           HG2      GLN  15   2.737  -3.222  -3.478
  105    HG3  GLN  15           HG3      GLN  15   3.025  -2.135  -4.788
  106   HE21  GLN  15          HE21      GLN  15   3.974  -0.712  -3.047
  107   HE22  GLN  15          HE22      GLN  15   2.873   0.234  -2.056
  108    H    LEU  16           H        LEU  16   0.127  -5.303  -6.297
  109    HA   LEU  16           HA       LEU  16  -2.505  -4.561  -7.260
  110    HB2  LEU  16           HB2      LEU  16  -0.425  -6.604  -8.007
  111    HB3  LEU  16           HB3      LEU  16  -1.977  -6.423  -8.860
  112    HG   LEU  16           HG       LEU  16  -0.036  -5.409  -9.954
  113   HD11  LEU  16          HD11      LEU  16  -2.027  -3.266  -9.264
  114   HD12  LEU  16          HD12      LEU  16  -2.579  -4.718 -10.091
  115   HD13  LEU  16          HD13      LEU  16  -1.348  -3.721 -10.849
  116   HD21  LEU  16          HD21      LEU  16  -0.260  -3.277  -7.815
  117   HD22  LEU  16          HD22      LEU  16   0.622  -3.121  -9.356
  118   HD23  LEU  16          HD23      LEU  16   1.150  -4.317  -8.161
  119    H    GLU  17           H        GLU  17  -1.484  -7.412  -5.300
  120    HA   GLU  17           HA       GLU  17  -3.882  -8.848  -6.032
  121    HB2  GLU  17           HB2      GLU  17  -1.560  -9.718  -5.196
  122    HB3  GLU  17           HB3      GLU  17  -2.294  -9.571  -3.593
  123    HG2  GLU  17           HG2      GLU  17  -4.211 -11.011  -4.549
  124    HG3  GLU  17           HG3      GLU  17  -3.227 -11.181  -6.013
  125    H    ASN  18           H        ASN  18  -3.580  -6.187  -4.245
  126    HA   ASN  18           HA       ASN  18  -5.802  -6.607  -2.340
  127    HB2  ASN  18           HB2      ASN  18  -4.309  -4.093  -3.239
  128    HB3  ASN  18           HB3      ASN  18  -5.575  -4.103  -2.053
  129   HD21  ASN  18          HD21      ASN  18  -2.237  -4.583  -2.599
  130   HD22  ASN  18          HD22      ASN  18  -1.797  -5.141  -0.987
  131    H    TYR  19           H        TYR  19  -5.484  -5.845  -5.792
  132    HA   TYR  19           HA       TYR  19  -7.998  -4.248  -5.894
  133    HB2  TYR  19           HB2      TYR  19  -5.965  -5.346  -7.683
  134    HB3  TYR  19           HB3      TYR  19  -7.505  -4.866  -8.373
  135    HD1  TYR  19           HD1      TYR  19  -4.329  -4.015  -8.221
  136    HD2  TYR  19           HD2      TYR  19  -8.185  -2.341  -7.502
  137    HE1  TYR  19           HE1      TYR  19  -3.799  -2.302  -9.819
  138    HE2  TYR  19           HE2      TYR  19  -7.560  -0.326  -8.885
  139    HH   TYR  19           HH       TYR  19  -6.150   0.417 -10.528
  140    H    CYS  20           H        CYS  20  -6.908  -7.612  -6.389
  141    HA   CYS  20           HA       CYS  20  -8.898  -8.514  -7.987
  142    HB2  CYS  20           HB2      CYS  20  -7.874 -10.210  -5.725
  143    HB3  CYS  20           HB3      CYS  20  -8.365 -10.702  -7.364
  144    H    ASN  21           H        ASN  21 -10.837  -9.770  -7.673
  145    HA   ASN  21           HA       ASN  21 -12.313  -8.995  -5.246
  146    HB2  ASN  21           HB2      ASN  21 -14.272 -10.129  -6.371
  147    HB3  ASN  21           HB3      ASN  21 -13.628  -8.669  -7.119
  148   HD21  ASN  21          HD21      ASN  21 -12.727 -12.150  -7.399
  149   HD22  ASN  21          HD22      ASN  21 -12.817 -12.156  -9.165
  150    H    SER  22           H        SER  22 -10.823 -10.070  -3.903
  151    HA   SER  22           HA       SER  22  -9.934 -11.682  -2.596
  152    HB2  SER  22           HB2      SER  22 -12.541 -13.152  -3.067
  153    HB3  SER  22           HB3      SER  22 -11.336 -13.532  -1.819
  154    HG   SER  22           HG       SER  22 -13.028 -12.137  -1.023
  155    H1   PHE   1           H1       PHE   1  10.095 -12.186  -9.975
  156    H2   PHE   1           H2       PHE   1   8.851 -12.992  -9.287
  157    H3   PHE   1           H3       PHE   1   9.581 -11.761  -8.482
  158    HA   PHE   1           HA       PHE   1   8.050 -11.473 -10.981
  159    HB2  PHE   1           HB2      PHE   1   6.755 -12.011  -8.811
  160    HB3  PHE   1           HB3      PHE   1   7.230 -10.420  -8.254
  161    HD1  PHE   1           HD1      PHE   1   6.267  -8.369  -9.373
  162    HD2  PHE   1           HD2      PHE   1   5.088 -12.361 -10.525
  163    HE1  PHE   1           HE1      PHE   1   4.271  -7.453 -10.517
  164    HE2  PHE   1           HE2      PHE   1   3.067 -11.436 -11.614
  165    HZ   PHE   1           HZ       PHE   1   2.648  -8.986 -11.610
  166    H    VAL   2           H        VAL   2   7.803  -9.320 -11.756
  167    HA   VAL   2           HA       VAL   2  10.259  -7.731 -11.236
  168    HB   VAL   2           HB       VAL   2   8.254  -7.480 -13.513
  169   HG11  VAL   2          HG11      VAL   2  10.109  -6.305 -14.633
  170   HG12  VAL   2          HG12      VAL   2   9.691  -5.468 -13.136
  171   HG13  VAL   2          HG13      VAL   2  11.130  -6.500 -13.192
  172   HG21  VAL   2          HG21      VAL   2   9.979  -8.657 -14.865
  173   HG22  VAL   2          HG22      VAL   2  10.893  -9.009 -13.380
  174   HG23  VAL   2          HG23      VAL   2   9.277  -9.711 -13.641
  175    H    LYS   3           H        LYS   3  10.198  -5.943 -10.020
  176    HA   LYS   3           HA       LYS   3   7.728  -4.535  -9.332
  177    HB2  LYS   3           HB2      LYS   3  10.645  -3.767  -8.888
  178    HB3  LYS   3           HB3      LYS   3   9.236  -2.947  -8.199
  179    HG2  LYS   3           HG2      LYS   3   8.608  -4.999  -6.978
  180    HG3  LYS   3           HG3      LYS   3   9.989  -5.856  -7.678
  181    HD2  LYS   3           HD2      LYS   3  11.522  -4.168  -6.624
  182    HD3  LYS   3           HD3      LYS   3  10.102  -3.456  -5.811
  183    HE2  LYS   3           HE2      LYS   3   9.619  -5.662  -4.763
  184    HE3  LYS   3           HE3      LYS   3  11.005  -6.367  -5.604
  185    HZ1  LYS   3           HZ1      LYS   3  12.451  -4.857  -4.339
  186    HZ2  LYS   3           HZ2      LYS   3  11.565  -5.751  -3.312
  187    HZ3  LYS   3           HZ3      LYS   3  11.168  -4.188  -3.579
  188    H    GLN   4           H        GLN   4   6.753  -3.012 -10.555
  189    HA   GLN   4           HA       GLN   4   8.314  -1.600 -12.700
  190    HB2  GLN   4           HB2      GLN   4   5.601  -2.929 -12.982
  191    HB3  GLN   4           HB3      GLN   4   6.414  -1.956 -14.216
  192    HG2  GLN   4           HG2      GLN   4   8.232  -3.615 -14.338
  193    HG3  GLN   4           HG3      GLN   4   7.365  -4.622 -13.153
  194   HE21  GLN   4          HE21      GLN   4   5.053  -5.245 -13.787
  195   HE22  GLN   4          HE22      GLN   4   4.769  -5.544 -15.496
  196    H    HIS   5           H        HIS   5   7.606   0.341 -13.398
  197    HA   HIS   5           HA       HIS   5   5.585   1.838 -11.840
  198    HB2  HIS   5           HB2      HIS   5   6.340   3.691 -13.427
  199    HB3  HIS   5           HB3      HIS   5   7.444   3.170 -12.160
  200    HD1  HIS   5           HD1      HIS   5   9.851   2.699 -12.921
  201    HD2  HIS   5           HD2      HIS   5   7.001   2.421 -15.999
  202    HE1  HIS   5           HE1      HIS   5  11.158   2.272 -15.068
  203    H    LEU   6           H        LEU   6   3.522   1.997 -12.510
  204    HA   LEU   6           HA       LEU   6   2.829   1.440 -15.355
  205    HB2  LEU   6           HB2      LEU   6   1.622  -0.113 -13.051
  206    HB3  LEU   6           HB3      LEU   6   1.380  -0.349 -14.754
  207    HG   LEU   6           HG       LEU   6   4.052  -0.846 -13.490
  208   HD11  LEU   6          HD11      LEU   6   1.752  -2.750 -13.872
  209   HD12  LEU   6          HD12      LEU   6   2.434  -2.178 -12.333
  210   HD13  LEU   6          HD13      LEU   6   3.395  -3.196 -13.407
  211   HD21  LEU   6          HD21      LEU   6   4.487  -2.268 -15.390
  212   HD22  LEU   6          HD22      LEU   6   3.958  -0.722 -16.051
  213   HD23  LEU   6          HD23      LEU   6   2.840  -2.115 -15.974
  214    H    CYS   7           H        CYS   7   1.125   2.486 -16.039
  215    HA   CYS   7           HA       CYS   7  -0.667   3.950 -14.144
  216    HB2  CYS   7           HB2      CYS   7   0.327   4.799 -16.880
  217    HB3  CYS   7           HB3      CYS   7  -0.622   5.764 -15.752
  218    H    GLY   8           H        GLY   8  -2.769   3.248 -14.342
  219    HA2  GLY   8           HA2      GLY   8  -4.762   2.524 -15.264
  220    HA3  GLY   8           HA3      GLY   8  -4.213   3.270 -16.761
  221    H    SER   9           H        SER   9  -3.930   1.932 -18.464
  222    HA   SER   9           HA       SER   9  -4.538  -0.810 -18.513
  223    HB2  SER   9           HB2      SER   9  -2.718   0.765 -20.394
  224    HB3  SER   9           HB3      SER   9  -3.567  -0.741 -20.790
  225    HG   SER   9           HG       SER   9  -5.548   0.359 -20.571
  226    H    HIS  10           H        HIS  10  -1.267   0.674 -18.183
  227    HA   HIS  10           HA       HIS  10   0.170  -1.861 -18.309
  228    HB2  HIS  10           HB2      HIS  10   0.842   0.799 -16.996
  229    HB3  HIS  10           HB3      HIS  10   1.978  -0.514 -17.157
  230    HD1  HIS  10           HD1      HIS  10   2.611  -1.069 -19.919
  231    HD2  HIS  10           HD2      HIS  10   0.579   2.444 -18.868
  232    HE1  HIS  10           HE1      HIS  10   2.835   0.498 -21.931
  233    H    LEU  11           H        LEU  11  -1.423  -0.031 -15.740
  234    HA   LEU  11           HA       LEU  11  -0.204  -1.490 -13.560
  235    HB2  LEU  11           HB2      LEU  11  -1.561   0.888 -13.819
  236    HB3  LEU  11           HB3      LEU  11  -2.860  -0.149 -13.236
  237    HG   LEU  11           HG       LEU  11  -0.230   0.559 -11.862
  238   HD11  LEU  11          HD11      LEU  11  -3.185   0.839 -11.195
  239   HD12  LEU  11          HD12      LEU  11  -2.079   2.139 -11.700
  240   HD13  LEU  11          HD13      LEU  11  -1.874   1.319 -10.126
  241   HD21  LEU  11          HD21      LEU  11  -2.229  -1.556 -11.115
  242   HD22  LEU  11          HD22      LEU  11  -1.091  -0.837  -9.950
  243   HD23  LEU  11          HD23      LEU  11  -0.470  -1.736 -11.332
  244    H    VAL  12           H        VAL  12  -3.288  -1.617 -15.325
  245    HA   VAL  12           HA       VAL  12  -4.313  -4.003 -14.118
  246    HB   VAL  12           HB       VAL  12  -4.761  -2.808 -16.899
  247   HG11  VAL  12          HG11      VAL  12  -6.107  -5.219 -15.634
  248   HG12  VAL  12          HG12      VAL  12  -6.802  -4.295 -16.991
  249   HG13  VAL  12          HG13      VAL  12  -5.267  -5.145 -17.192
  250   HG21  VAL  12          HG21      VAL  12  -6.476  -2.948 -14.391
  251   HG22  VAL  12          HG22      VAL  12  -5.630  -1.504 -14.981
  252   HG23  VAL  12          HG23      VAL  12  -6.955  -2.189 -15.929
  253    H    GLU  13           H        GLU  13  -1.746  -3.531 -16.620
  254    HA   GLU  13           HA       GLU  13  -1.765  -6.281 -17.490
  255    HB2  GLU  13           HB2      GLU  13  -0.724  -4.258 -18.664
  256    HB3  GLU  13           HB3      GLU  13   0.656  -4.468 -17.585
  257    HG2  GLU  13           HG2      GLU  13   1.036  -6.726 -18.434
  258    HG3  GLU  13           HG3      GLU  13  -0.443  -6.650 -19.397
  259    H    ALA  14           H        ALA  14  -0.558  -4.749 -14.593
  260    HA   ALA  14           HA       ALA  14   0.896  -7.232 -13.737
  261    HB1  ALA  14           HB1      ALA  14   0.439  -4.528 -12.399
  262    HB2  ALA  14           HB2      ALA  14   1.305  -5.925 -11.690
  263    HB3  ALA  14           HB3      ALA  14   1.938  -5.101 -13.147
  264    H    LEU  15           H        LEU  15  -2.019  -5.260 -12.843
  265    HA   LEU  15           HA       LEU  15  -2.985  -6.799 -10.889
  266    HB2  LEU  15           HB2      LEU  15  -3.791  -4.585 -11.923
  267    HB3  LEU  15           HB3      LEU  15  -4.643  -5.603 -13.120
  268    HG   LEU  15           HG       LEU  15  -6.099  -6.457 -11.727
  269   HD11  LEU  15          HD11      LEU  15  -4.521  -5.590  -9.402
  270   HD12  LEU  15          HD12      LEU  15  -4.735  -7.224  -9.960
  271   HD13  LEU  15          HD13      LEU  15  -6.156  -6.409  -9.408
  272   HD21  LEU  15          HD21      LEU  15  -5.640  -3.597 -11.004
  273   HD22  LEU  15          HD22      LEU  15  -7.122  -4.495 -10.603
  274   HD23  LEU  15          HD23      LEU  15  -6.619  -4.267 -12.297
  275    H    TYR  16           H        TYR  16  -3.648  -7.210 -14.319
  276    HA   TYR  16           HA       TYR  16  -5.542  -9.340 -14.287
  277    HB2  TYR  16           HB2      TYR  16  -4.985  -7.569 -16.014
  278    HB3  TYR  16           HB3      TYR  16  -3.515  -8.444 -16.406
  279    HD1  TYR  16           HD1      TYR  16  -4.127 -11.117 -17.035
  280    HD2  TYR  16           HD2      TYR  16  -6.535  -7.570 -17.601
  281    HE1  TYR  16           HE1      TYR  16  -5.322 -12.241 -18.872
  282    HE2  TYR  16           HE2      TYR  16  -7.783  -8.732 -19.427
  283    HH   TYR  16           HH       TYR  16  -8.006 -10.640 -20.673
  284    H    LEU  17           H        LEU  17  -2.101  -9.329 -13.929
  285    HA   LEU  17           HA       LEU  17  -1.727 -12.191 -14.540
  286    HB2  LEU  17           HB2      LEU  17  -0.151 -10.358 -15.250
  287    HB3  LEU  17           HB3      LEU  17   0.118  -9.932 -13.596
  288    HG   LEU  17           HG       LEU  17   1.081 -11.987 -12.980
  289   HD11  LEU  17          HD11      LEU  17   0.034 -13.620 -14.483
  290   HD12  LEU  17          HD12      LEU  17   1.780 -13.676 -14.723
  291   HD13  LEU  17          HD13      LEU  17   0.759 -12.833 -15.904
  292   HD21  LEU  17          HD21      LEU  17   3.194 -11.773 -14.260
  293   HD22  LEU  17          HD22      LEU  17   2.510 -10.178 -13.899
  294   HD23  LEU  17          HD23      LEU  17   2.342 -10.856 -15.528
  295    H    VAL  18           H        VAL  18  -1.476  -9.846 -11.919
  296    HA   VAL  18           HA       VAL  18  -0.748 -11.526  -9.746
  297    HB   VAL  18           HB       VAL  18  -2.036  -8.754  -9.977
  298   HG11  VAL  18          HG11      VAL  18  -2.748  -9.538  -7.834
  299   HG12  VAL  18          HG12      VAL  18  -1.199 -10.366  -7.527
  300   HG13  VAL  18          HG13      VAL  18  -1.281  -8.604  -7.537
  301   HG21  VAL  18          HG21      VAL  18   0.718  -9.673  -9.031
  302   HG22  VAL  18          HG22      VAL  18   0.414  -9.259 -10.702
  303   HG23  VAL  18          HG23      VAL  18   0.246  -8.027  -9.473
  304    H    CYS  19           H        CYS  19  -3.895 -10.407 -10.935
  305    HA   CYS  19           HA       CYS  19  -5.337 -12.140  -9.006
  306    HB2  CYS  19           HB2      CYS  19  -6.313 -10.379 -11.256
  307    HB3  CYS  19           HB3      CYS  19  -7.342 -11.165 -10.037
  308    H    GLY  20           H        GLY  20  -4.073 -12.429 -12.194
  309    HA2  GLY  20           HA2      GLY  20  -4.068 -14.147 -13.714
  310    HA3  GLY  20           HA3      GLY  20  -4.390 -15.197 -12.326
  311    H    GLU  21           H        GLU  21  -6.257 -12.818 -14.219
  312    HA   GLU  21           HA       GLU  21  -8.387 -12.680 -14.922
  313    HB2  GLU  21           HB2      GLU  21  -7.645 -15.478 -15.768
  314    HB3  GLU  21           HB3      GLU  21  -9.121 -14.675 -16.310
  315    HG2  GLU  21           HG2      GLU  21  -7.798 -12.842 -17.283
  316    HG3  GLU  21           HG3      GLU  21  -6.300 -13.600 -16.726
  317    H    ARG  22           H        ARG  22  -8.093 -14.154 -12.049
  318    HA   ARG  22           HA       ARG  22 -10.788 -15.259 -11.748
  319    HB2  ARG  22           HB2      ARG  22  -8.897 -14.210  -9.617
  320    HB3  ARG  22           HB3      ARG  22 -10.320 -15.226  -9.357
  321    HG2  ARG  22           HG2      ARG  22  -9.248 -17.046 -10.726
  322    HG3  ARG  22           HG3      ARG  22  -7.780 -16.069 -10.821
  323    HD2  ARG  22           HD2      ARG  22  -9.058 -17.268  -8.349
  324    HD3  ARG  22           HD3      ARG  22  -7.507 -17.686  -9.063
  325    HE   ARG  22           HE       ARG  22  -6.590 -15.559  -8.354
  326   HH11  ARG  22          HH11      ARG  22  -9.722 -16.200  -6.893
  327   HH12  ARG  22          HH12      ARG  22  -9.509 -14.949  -5.683
  328   HH21  ARG  22          HH21      ARG  22  -6.419 -13.985  -6.759
  329   HH22  ARG  22          HH22      ARG  22  -7.799 -13.696  -5.708
  330    H    GLY  23           H        GLY  23  -9.580 -12.057 -11.823
  331    HA2  GLY  23           HA2      GLY  23 -11.174 -10.347 -12.426
  332    HA3  GLY  23           HA3      GLY  23 -12.321 -10.986 -11.268
  333    H    PHE  24           H        PHE  24 -11.540  -8.354 -11.501
  334    HA   PHE  24           HA       PHE  24 -10.490  -7.498  -8.929
  335    HB2  PHE  24           HB2      PHE  24  -8.604  -6.233 -10.034
  336    HB3  PHE  24           HB3      PHE  24  -8.393  -7.961 -10.009
  337    HD1  PHE  24           HD1      PHE  24  -8.444  -9.343 -12.041
  338    HD2  PHE  24           HD2      PHE  24  -8.827  -5.056 -12.192
  339    HE1  PHE  24           HE1      PHE  24  -7.980  -9.391 -14.474
  340    HE2  PHE  24           HE2      PHE  24  -8.221  -5.092 -14.614
  341    HZ   PHE  24           HZ       PHE  24  -7.861  -7.262 -15.758
  342    H    PHE  25           H        PHE  25 -10.537  -5.183  -8.671
  343    HA   PHE  25           HA       PHE  25 -12.299  -3.736 -10.634
  344    HB2  PHE  25           HB2      PHE  25 -12.272  -3.669  -7.590
  345    HB3  PHE  25           HB3      PHE  25 -13.017  -2.411  -8.587
  346    HD1  PHE  25           HD1      PHE  25 -13.535  -5.683  -7.110
  347    HD2  PHE  25           HD2      PHE  25 -14.760  -3.068 -10.315
  348    HE1  PHE  25           HE1      PHE  25 -15.638  -6.987  -7.367
  349    HE2  PHE  25           HE2      PHE  25 -16.858  -4.381 -10.576
  350    HZ   PHE  25           HZ       PHE  25 -17.296  -6.336  -9.102
  351    H    TYR  26           H        TYR  26 -10.716  -2.889 -11.805
  352    HA   TYR  26           HA       TYR  26  -8.304  -1.706 -10.825
  353    HB2  TYR  26           HB2      TYR  26  -8.097  -0.990 -13.232
  354    HB3  TYR  26           HB3      TYR  26  -8.296  -2.710 -12.939
  355    HD1  TYR  26           HD1      TYR  26 -10.002   0.338 -14.221
  356    HD2  TYR  26           HD2      TYR  26 -10.237  -3.934 -13.657
  357    HE1  TYR  26           HE1      TYR  26 -12.042   0.255 -15.657
  358    HE2  TYR  26           HE2      TYR  26 -12.305  -4.007 -15.020
  359    HH   TYR  26           HH       TYR  26 -13.800  -2.810 -16.293
  360    H    THR  27           H        THR  27 -11.433  -0.386 -10.779
  361    HA   THR  27           HA       THR  27 -11.174   2.269 -11.516
  362    HB   THR  27           HB       THR  27 -12.738   1.265  -9.112
  363    HG1  THR  27           HG1      THR  27 -14.358   0.834 -10.632
  364   HG21  THR  27          HG21      THR  27 -13.283   3.525 -11.098
  365   HG22  THR  27          HG22      THR  27 -12.842   3.719  -9.382
  366   HG23  THR  27          HG23      THR  27 -14.382   2.988  -9.802
  367    HA   PRO  28           HA       PRO  28  -8.232   3.697  -8.436
  368    HB2  PRO  28           HB2      PRO  28  -8.069   6.356  -9.061
  369    HB3  PRO  28           HB3      PRO  28  -7.411   5.067 -10.104
  370    HG2  PRO  28           HG2      PRO  28 -10.091   6.467 -10.353
  371    HG3  PRO  28           HG3      PRO  28  -8.863   6.193 -11.632
  372    HD2  PRO  28           HD2      PRO  28 -10.997   4.530 -11.331
  373    HD3  PRO  28           HD3      PRO  28  -9.390   3.894 -11.783
  374    H    LYS  29           H        LYS  29 -11.449   5.121  -8.666
  375    HA   LYS  29           HA       LYS  29 -11.333   6.425  -6.032
  376    HB2  LYS  29           HB2      LYS  29 -12.589   7.415  -7.915
  377    HB3  LYS  29           HB3      LYS  29 -13.653   6.002  -7.959
  378    HG2  LYS  29           HG2      LYS  29 -14.455   6.519  -5.677
  379    HG3  LYS  29           HG3      LYS  29 -13.298   7.843  -5.550
  380    HD2  LYS  29           HD2      LYS  29 -15.557   8.677  -5.986
  381    HD3  LYS  29           HD3      LYS  29 -14.453   9.091  -7.294
  382    HE2  LYS  29           HE2      LYS  29 -16.649   8.454  -8.136
  383    HE3  LYS  29           HE3      LYS  29 -15.405   7.348  -8.731
  384    HZ1  LYS  29           HZ1      LYS  29 -16.166   5.681  -7.245
  385    HZ2  LYS  29           HZ2      LYS  29 -17.542   6.320  -7.845
  386    HZ3  LYS  29           HZ3      LYS  29 -17.031   6.709  -6.328
  387    H    THR  30           H        THR  30 -12.109   5.683  -4.151
  388    HA   THR  30           HA       THR  30 -12.880   2.816  -3.970
  389    HB   THR  30           HB       THR  30 -12.044   3.054  -1.613
  390    HG1  THR  30           HG1      THR  30 -10.884   4.913  -1.128
  391   HG21  THR  30          HG21      THR  30 -10.033   3.878  -3.752
  392   HG22  THR  30          HG22      THR  30 -10.572   2.219  -3.434
  393   HG23  THR  30          HG23      THR  30  -9.673   3.105  -2.193
  394    H    ARG  31           H        ARG  31 -14.591   5.630  -3.923
  395    HA   ARG  31           HA       ARG  31 -16.636   4.583  -2.008
  396    HB2  ARG  31           HB2      ARG  31 -15.300   6.417  -0.986
  397    HB3  ARG  31           HB3      ARG  31 -15.780   7.491  -2.311
  398    HG2  ARG  31           HG2      ARG  31 -18.164   7.251  -1.652
  399    HG3  ARG  31           HG3      ARG  31 -17.700   6.124  -0.363
  400    HD2  ARG  31           HD2      ARG  31 -16.359   7.917   0.709
  401    HD3  ARG  31           HD3      ARG  31 -16.802   9.042  -0.571
  402    HE   ARG  31           HE       ARG  31 -18.482   8.076   1.651
  403   HH11  ARG  31          HH11      ARG  31 -20.421   9.063   2.049
  404   HH12  ARG  31          HH12      ARG  31 -21.096  10.159   0.879
  405   HH21  ARG  31          HH21      ARG  31 -18.538   9.844  -1.375
  406   HH22  ARG  31          HH22      ARG  31 -20.063  10.599  -1.007