*HEADER    ANTIMICROBIAL PROTEIN                   28-MAR-14   2MN5              
*TITLE     NMR STRUCTURE OF COPSIN                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COPSIN;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: COPRINOPSIS CINEREA;                            
*SOURCE   3 ORGANISM_TAXID:  5346;                                               
*SOURCE   4 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 4922                                        
*KEYWDS    ANTIBIOTIC AND ANTIMICROBIAL PROTEIN, ANTIMICROBIAL PROTEIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.HOFMANN, G.WIDER, A.ESSIG, M.AEBI                                   
*REVDAT   1   29-OCT-14 2MN5    0                                                


#
# 13 SER HB2 17 ALA QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,

      rk2=20, rk3=20, ir6=1, ialtd=0,
 igr2= 237, 238, 239,
 &end
#
# 5 THR HA 21 HIs HE1 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 301, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 5 THR HA 27 ARG HB2 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 385, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 5 THR HA 5 THR QG2 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr2=  60,  61,  62,
 &end
#
# 5 THR HA 27 ARG HB3 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 386, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 6 ARG HA 6 ARG HG3 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  76, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 46 THR QG2 47 THR H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 642, 643, 644,
 &end
#
# 13 SER HB3 17 ALA QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 237, 238, 239,
 &end
#
# 39 GLN HG2 51 ILE QD1 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 711, 712, 713,
 &end
#
# 38 ALA HA 51 ILE QD1 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 711, 712, 713,
 &end
#
# 51 ILE HA 51 ILE QD1 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 711, 712, 713,
 &end
#
# 40 CYS HA 48 CYS HA 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 666, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 53 PRO HB2 55 PRO HD2 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 756, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 7 ARG H 9 LEU HG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 130, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 39 GLN HA 41 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 575, 576, 577,
 &end
#
# 39 GLN HA 51 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 VAL HA 11 VAL QG2 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 162, 163, 164,
 &end
#
# 33 VAL QG2 54 CYS HB3 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 467, 468, 469,
 &end
#
# 33 VAL QG2 34 ARG HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 467, 468, 469,
 &end
#
# 32 CYS HA 33 VAL QG2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 467, 468, 469,
 &end
#
# 26 HIs HE1 33 VAL QG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 467, 468, 469,
 &end
#
# 15 LEU QD2 39 GLN HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 213, 214, 215,
 &end
#
# 51 ILE H 51 ILE HG13 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 709, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 38 ALA HA 51 ILE HG13 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 709, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 51 ILE H 51 ILE QG2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 704, 705, 706,
 &end
#
# 51 ILE QG2 51 ILE HG13 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 704, 705, 706,
 &end
#
# 37 ASN HB3 51 ILE QG2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 704, 705, 706,
 &end
#
# 38 ALA HA 51 ILE QG2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 704, 705, 706,
 &end
#
# 36 SER HB3 51 ILE QG2 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 704, 705, 706,
 &end
#
# 49 THR HA 49 THR QG2 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 680, 681, 682,
 &end
#
# 27 ARG HA 27 ARG HG2 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 3 CYS HB2 4 PRO HD2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  41, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9 LEU HA 9 LEU HG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 130, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 9 LEU HA 17 ALA QB 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 237, 238, 239,
 &end
#
# 15 LEU QD1 18 CYS HB2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 209, 210, 211,
 &end
#
# 15 LEU HA 18 CYS HB2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 247, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 33 VAL QG1 56 ARG QD 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 463, 464, 465,
 igr2= 779, 780,
 &end
#
# 56 ARG HA 56 ARG QD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 779, 780,
 &end
#
# 56 ARG HB2 56 ARG QD 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 779, 780,
 &end
#
# 38 ALA HA 51 ILE HG12 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 708, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38 ALA HA 50 CYS HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 690, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 34 ARG QB 57 CYS HB2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 477, 478,
 &end
#
# 52 ASN HA 53 PRO HA 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 741, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 52 ASN HB2 53 PRO HA 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 741, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 ASN HB3 51 ILE HB 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 702, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 17 ALA QB 18 CYS H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 237, 238, 239,
 &end
#
# 9 LEU HB2 17 ALA QB 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 237, 238, 239,
 &end
#
# 17 ALA QB 20 ASN QB 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 237, 238, 239,
 igr2= 281, 282,
 &end
#
# 9 LEU HB3 17 ALA QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 237, 238, 239,
 &end
#
# 15 LEU HB3 15 LEU QD2 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 213, 214, 215,
 &end
#
# 54 CYS HA 55 PRO HD2 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 756, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 35 CYS HB2 54 CYS HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 747, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 36 SER HB2 51 ILE QG2 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 704, 705, 706,
 &end
#
# 53 PRO HB3 55 PRO HD3 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 757, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 33 VAL QG2 54 CYS HB2 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 467, 468, 469,
 &end
#
# 33 VAL QG1 54 CYS HB2 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 463, 464, 465,
 &end
#
# 33 VAL HB 54 CYS HB2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 53 PRO HB2 55 PRO HD3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 757, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 54 CYS HA 55 PRO HD3 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 757, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 49 THR QG2 50 CYS HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 680, 681, 682,
 &end
#
# 38 ALA QB 50 CYS HA 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 536, 537, 538,
 &end
#
# 39 GLN HB3 51 ILE HG12 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 708, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 33 VAL QG1 54 CYS HB3 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 463, 464, 465,
 &end
#
# 22 CYS HB3 35 CYS HB2 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 501, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 30 VAL HA 30 VAL QG2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 434, 435, 436,
 &end
#
# 15 LEU QD1 39 GLN HA 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 209, 210, 211,
 &end
#
# 15 LEU QD1 18 CYS HB3 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 209, 210, 211,
 &end
#
# 15 LEU HB2 15 LEU QD1 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 209, 210, 211,
 &end
#
# 9 LEU QD2 13 SER HB2 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 136, 137, 138,
 &end
#
# 9 LEU QD2 18 CYS HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 136, 137, 138,
 &end
#
# 9 LEU QD2 13 SER HB3 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 136, 137, 138,
 &end
#
# 9 LEU QD2 17 ALA QB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 136, 137, 138,
 igr2= 237, 238, 239,
 &end
#
# 9 LEU HB3 9 LEU QD2 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 136, 137, 138,
 &end
#
# 37 ASN HB2 51 ILE QG2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 704, 705, 706,
 &end
#
# 4 PRO HD2 26 HIs HB2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 367, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 33 VAL QG1 56 ARG HA 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 463, 464, 465,
 &end
#
# 5 THR QG2 6 ARG HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  60,  61,  62,
 &end
#
# 19 ARG HA 38 ALA QB 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 536, 537, 538,
 &end
#
# 19 ARG HA 19 ARG QG 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 260, 261,
 &end
#
# 19 ARG HA 22 CYS HB2 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 312, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 34 ARG HA 35 CYS HB2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 501, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 35 CYS HA 55 PRO HD2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 756, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 17 ALA HA 20 ASN QB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 281, 282,
 &end
#
# 15 LEU HA 15 LEU QD2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 213, 214, 215,
 &end
#
# 15 LEU HA 18 CYS HB3 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 15 LEU HA 15 LEU HG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 30 VAL HA 30 VAL QG1 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 430, 431, 432,
 &end
#
# 33 VAL HA 33 VAL QG2 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 467, 468, 469,
 &end
#
# 33 VAL HA 33 VAL QG1 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 463, 464, 465,
 &end
#
# 34 ARG H 55 PRO HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 ARG HA 32 CYS HA 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 449, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 35 CYS HB2 50 CYS HB3 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 693, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 7 ARG HA 7 ARG HD2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 102, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 33 VAL HB 54 CYS HB3 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 750, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 15 LEU HB2 16 THR H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 6 ARG HA 6 ARG HD2 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  78, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 6 ARG HB3 6 ARG HD2 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  78, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 11 VAL HA 11 VAL QG1 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 158, 159, 160,
 &end
#
# 47 THR H 47 THR QG2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 656, 657, 658,
 &end
#
# 37 ASN HA 38 ALA QB 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 536, 537, 538,
 &end
#
# 22 CYS HB3 35 CYS HB3 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 502, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 35 CYS HB3 50 CYS HB3 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 693, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 39 GLN HG2 41 THR QG2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 575, 576, 577,
 &end
#
# 41 THR QG2 49 THR HB 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 575, 576, 577,
 &end
#
# 39 GLN HG3 41 THR QG2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 575, 576, 577,
 &end
#
# 4 PRO HD2 26 HIs HA 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 365, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 52 ASN HB3 53 PRO HA 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 722, 741, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 51 ILE HA 51 ILE HG13 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 51 ILE HA 51 ILE QG2 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 704, 705, 706,
 &end
#
# 28 GLY HA3 33 VAL QG2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 467, 468, 469,
 &end
#
# 5 THR QG2 27 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  60,  61,  62,
 igr2= 391, 392,
 &end
#
# 15 LEU QD1 19 ARG HB3 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 209, 210, 211,
 &end
#
# 15 LEU HB2 15 LEU QD2 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 213, 214, 215,
 &end
#
# 51 ILE HA 51 ILE HG12 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 708, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 22 CYS HB3 50 CYS HB3 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 693, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 35 CYS HB2 50 CYS HB2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23 ARG HG2 37 ASN HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 520, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 19 ARG HA 37 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 CYS HB2 37 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ARG QG 37 ASN HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 260, 261,
 &end
#
# 23 ARG HG3 37 ASN HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 520, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 19 ARG QG 20 ASN HA 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 260, 261,
 &end
#
# 10 CYS HB2 46 THR HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 638, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 15 LEU HG 16 THR HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 221, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 3 CYS HB3 26 HIs HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  35, 365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 3 CYS HB2 26 HIs HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  34, 365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 HIs HE1 35 CYS HB3 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 502, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 22 CYS HB3 50 CYS HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 690, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 51 ILE QG2 51 ILE QD1 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 704, 705, 706,
 igr2= 711, 712, 713,
 &end
#
# 34 ARG QB 57 CYS HB3 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 477, 478,
 &end
#
# 9 LEU QD2 21 HIs HB2 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 136, 137, 138,
 &end
#
# 44 LEU HB2 46 THR QG2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 642, 643, 644,
 &end
#
# 44 LEU HB3 46 THR QG2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 642, 643, 644,
 &end
#
# 6 ARG HD2 9 LEU QD2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 136, 137, 138,
 &end
#
# 22 CYS HA 26 HIs HB3 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 368, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 22 CYS HA 38 ALA QB 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 536, 537, 538,
 &end
#
# 25 CYS HB2 34 ARG QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 477, 478,
 &end
#
# 25 CYS HB3 34 ARG QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 477, 478,
 &end
#
# 35 CYS HA 55 PRO HD3 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 757, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 3 CYS HB2 4 PRO HD3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  42, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 9 LEU HB2 48 CYS HB2 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 668, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 50 CYS HB2 51 ILE H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 698, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 35 CYS HB3 50 CYS HB2 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 692, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 22 CYS HB3 50 CYS HB2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 692, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 22 CYS HB2 50 CYS HB3 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 693, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 54 CYS HA 55 PRO HG2 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 33 VAL HB 54 CYS HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 747, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 37 ASN H 51 ILE QG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 704, 705, 706,
 &end
#
# 34 ARG H 54 CYS HB3 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 750, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 38 ALA H 38 ALA QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 536, 537, 538,
 &end
#
# 38 ALA H 51 ILE HG13 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 709, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 38 ALA H 51 ILE QD1 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 711, 712, 713,
 &end
#
# 5 THR HB 6 ARG H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  68, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 30 VAL HA 31 GLY H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 440, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 31 GLY H 33 VAL QG1 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 463, 464, 465,
 &end
#
# 30 VAL QG2 31 GLY H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 434, 435, 436,
 &end
#
# 28 GLY H 31 GLY H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 440, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 30 VAL QG1 31 GLY H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 430, 431, 432,
 &end
#
# 16 THR QG2 20 ASN HD21 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 225, 226, 227,
 &end
#
# 41 THR QG2 49 THR H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 575, 576, 577,
 &end
#
# 25 CYS HB2 26 HIs H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 363, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 26 HIs H 33 VAL H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 457, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 25 CYS HB3 26 HIs H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 363, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 38 ALA H 39 GLN H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 37 ASN HD21 38 ALA H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 41 THR H 48 CYS HA 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 666, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 41 THR H 49 THR H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 674, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 19 ARG H 19 ARG QG 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 260, 261,
 &end
#
# 9 LEU QD1 18 CYS H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 132, 133, 134,
 &end
#
# 15 LEU QD1 18 CYS H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 209, 210, 211,
 &end
#
# 3 CYS H 4 PRO HD3 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  42, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 2 ASN HB2 3 CYS H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  30, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 29 ASP HB3 30 VAL H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 424, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 30 VAL H 30 VAL QG2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 434, 435, 436,
 &end
#
# 30 VAL H 30 VAL QG1 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 430, 431, 432,
 &end
#
# 30 VAL H 30 VAL HB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 ASP HB2 30 VAL H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 57 CYS H 57 CYS HB2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 15 LEU HB3 16 THR H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 16 THR H 16 THR HB 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 9 LEU QD1 21 HIs H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 132, 133, 134,
 &end
#
# 39 GLN H 39 GLN HG2 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 549, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 LEU QD1 39 GLN H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 209, 210, 211,
 &end
#
# 39 GLN H 39 GLN HG3 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 11 VAL H 11 VAL HB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 49 THR QG2 50 CYS H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 680, 681, 682,
 &end
#
# 12 THR QG2 13 SER H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 174, 175, 176,
 &end
#
# 12 THR HB 13 SER H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 27 ARG HA 33 VAL H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 457, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 33 VAL H 33 VAL QG1 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 463, 464, 465,
 &end
#
# 17 ALA H 17 ALA QB 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2= 237, 238, 239,
 &end
#
# 20 ASN QB 20 ASN HD22 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 281, 282,
 &end
#
# 34 ARG H 34 ARG HG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 480, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 34 ARG H 54 CYS HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 747, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 33 VAL QG1 34 ARG H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 463, 464, 465,
 &end
#
# 33 VAL HA 34 ARG H 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 37 ASN H 37 ASN HB3 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 35 CYS HB2 37 ASN H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 518, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 39 GLN HG2 40 CYS H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 39 GLN HB3 40 CYS H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 15 LEU H 15 LEU QD2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 213, 214, 215,
 &end
#
# 15 LEU H 15 LEU HG 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 207, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 26 HIs HB3 27 ARG H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 381, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 55 PRO HA 56 ARG H 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 769, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 56 ARG H 56 ARG QD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 779, 780,
 &end
#
# 33 VAL QG1 56 ARG H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 463, 464, 465,
 &end
#
# 56 ARG H 56 ARG HB2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 773, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 38 ALA H 50 CYS HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 690, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 9 LEU HA 12 THR H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 168, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 27 ARG QD 31 GLY H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 391, 392,
 &end
#
# 9 LEU HA 13 SER H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 182, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 34 ARG H 55 PRO HG2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 759, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 21 HIs H 22 CYS HB2 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 312, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 9 LEU H 17 ALA QB 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 237, 238, 239,
 &end
#
# 8 GLY H 9 LEU HB2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 36 SER H 54 CYS HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 747, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 28 GLY HA3 30 VAL H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 424, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 32 CYS H 33 VAL QG2 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 467, 468, 469,
 &end
#
# 41 THR H 49 THR HB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 678, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 49 THR HB 50 CYS H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 688, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 22 CYS HB2 51 ILE H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 698, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 37 ASN HB3 51 ILE H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 698, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 22 CYS HB3 51 ILE H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 698, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 37 ASN HB2 51 ILE H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 698, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 39 GLN H 51 ILE HG12 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 708, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 37 ASN H 51 ILE HG13 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 709, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 39 GLN H 49 THR H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 674, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 56 ARG QD 57 CYS H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 779, 780,
 &end
#
# 25 CYS H 34 ARG QD 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 483, 484,
 &end
#
# 2 ASN HB3 3 CYS H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  30, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 3 CYS H 4 PRO HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 THR QG2 48 CYS H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 656, 657, 658,
 &end
#
# 54 CYS H 55 PRO HD3 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 757, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 35 CYS HB3 54 CYS HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 747, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 34 ARG QB 34 ARG HE 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 477, 478,
 &end
#
# 16 THR H 16 THR QG2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 225, 226, 227,
 &end
#
# 14 GLY HA3 15 LEU H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 32 CYS HA 33 VAL H 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 33 VAL H 33 VAL QG2 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 467, 468, 469,
 &end
#
# 32 CYS QB 33 VAL H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 451, 452,
 &end
#
# 33 VAL H 34 ARG H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 473, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 16 THR H 17 ALA H 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 233, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 16 THR QG2 17 ALA H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 225, 226, 227,
 &end
#
# 16 THR HB 17 ALA H 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 233, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 13 SER HB3 17 ALA H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 233, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 19 ARG HB2 19 ARG HE 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 266, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 19 ARG QG 19 ARG HE 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 260, 261,
 &end
#
# 19 ARG HB3 19 ARG HE 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 266, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 28 GLY H 33 VAL H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 457, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 28 GLY H 32 CYS HA 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 449, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 28 GLY H 33 VAL QG2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 467, 468, 469,
 &end
#
# 28 GLY H 33 VAL QG1 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 463, 464, 465,
 &end
#
# 27 ARG HA 28 GLY H 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 405, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 37 ASN H 38 ALA QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 536, 537, 538,
 &end
#
# 36 SER HB3 37 ASN H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 518, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 37 ASN H 37 ASN HB2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 37 ASN H 51 ILE HB 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 702, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 35 CYS HB3 37 ASN H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 22 CYS HB3 37 ASN H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 518, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 36 SER HB2 37 ASN H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 26 HIs H 34 ARG QB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 477, 478,
 &end
#
# 26 HIs H 33 VAL QG2 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 467, 468, 469,
 &end
#
# 26 HIs H 26 HIs HB3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 26 HIs H 26 HIs HB2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 26 HIs H 27 ARG H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 381, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 22 CYS HB2 23 ARG H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 318, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 23 ARG H 38 ALA QB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 536, 537, 538,
 &end
#
# 20 ASN HA 23 ARG H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 318, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 19 ARG HA 23 ARG H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 318, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 23 ARG H 23 ARG HG3 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 23 ARG H 23 ARG HD3 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 329, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 22 CYS HB3 23 ARG H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 23 ARG H 24 SER QB 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 346, 347,
 &end
#
# 23 ARG H 23 ARG HG2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 325, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 23 ARG H 23 ARG HD2 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 23 ARG H 24 SER H 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 342, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 45 GLY H 46 THR H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 636, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 32 CYS H 33 VAL H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 457, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 33 VAL QG2 35 CYS H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 467, 468, 469,
 &end
#
# 31 GLY HA3 32 CYS H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 32 CYS H 33 VAL QG1 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 463, 464, 465,
 &end
#
# 32 CYS H 32 CYS QB 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 451, 452,
 &end
#
# 31 GLY HA2 32 CYS H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 26 HIs H 26 HIs HD2 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 377, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 26 HIs HD2 33 VAL QG2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 467, 468, 469,
 &end
#
# 26 HIs HB2 26 HIs HD2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 377, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 CYS HA 41 THR QG2 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 575, 576, 577,
 &end
#
# 26 HIs HD2 27 ARG H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 27 ARG H 27 ARG HB3 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 5 THR HA 27 ARG H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 381, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 4 PRO HG2 27 ARG H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 381, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 26 HIs HB2 27 ARG H 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 381, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27 ARG H 27 ARG HB2 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 55 PRO HB3 56 ARG H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 769, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 56 ARG H 56 ARG HG3 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 777, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 55 PRO HB2 56 ARG H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 769, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 56 ARG H 56 ARG HB3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 56 ARG H 56 ARG HG2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 35 CYS HA 37 ASN H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 518, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 39 GLN HA 39 GLN HE21 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 555, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 43 PHE HA 43 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 600, 604,
 &end
#
# 42 GLY HA2 43 PHE H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 43 PHE H 43 PHE HB3 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 595, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 42 GLY HA3 43 PHE H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 43 PHE H 43 PHE HB2 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 26 HIs H 26 HIs HE2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 22 CYS HA 26 HIs HE2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 375, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 26 HIs HB2 26 HIs HE2 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 375, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 34 ARG H 34 ARG QD 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 483, 484,
 &end
#
# 34 ARG H 34 ARG HG3 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 481, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 33 VAL QG2 34 ARG H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 467, 468, 469,
 &end
#
# 34 ARG H 35 CYS HA 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 499, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 34 ARG H 34 ARG QB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 477, 478,
 &end
#
# 33 VAL HB 34 ARG H 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 41 THR H 47 THR H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 650, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 47 THR H 47 THR HB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 46 THR H 47 THR H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 650, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 9 LEU HA 11 VAL H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 152, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 11 VAL H 11 VAL QG2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 162, 163, 164,
 &end
#
# 11 VAL H 11 VAL QG1 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 158, 159, 160,
 &end
#
# 37 ASN H 51 ILE H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 698, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38 ALA QB 51 ILE H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 536, 537, 538,
 &end
#
# 50 CYS HB3 51 ILE H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 698, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 35 CYS HB2 51 ILE H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 698, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 51 ILE H 51 ILE HG12 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 708, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 35 CYS HB3 51 ILE H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 698, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 51 ILE H 51 ILE HB 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 50 CYS HA 51 ILE H 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 698, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 38 ALA HA 51 ILE H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 698, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 51 ILE H 51 ILE QD1 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 711, 712, 713,
 &end
#
# 15 LEU QD1 40 CYS H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 209, 210, 211,
 &end
#
# 40 CYS H 41 THR H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 569, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 40 CYS H 41 THR QG2 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 575, 576, 577,
 &end
#
# 39 GLN HG3 40 CYS H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 38 ALA QB 39 GLN H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 536, 537, 538,
 &end
#
# 39 GLN H 40 CYS HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 561, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 40 CYS HA 47 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 GLN H 51 ILE H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 698, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 39 GLN H 49 THR HB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 678, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 39 GLN H 49 THR QG2 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 680, 681, 682,
 &end
#
# 39 GLN H 50 CYS HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 690, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 38 ALA HA 39 GLN H 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 542, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 39 GLN H 51 ILE QD1 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 711, 712, 713,
 &end
#
# 6 ARG HB3 6 ARG HE 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  81, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 20 ASN H 20 ASN QB 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 281, 282,
 &end
#
# 19 ARG HB2 20 ASN H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 277, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 16 THR QG2 20 ASN H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 225, 226, 227,
 &end
#
# 19 ARG QG 20 ASN H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 260, 261,
 &end
#
# 20 ASN H 20 ASN HD22 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 20 ASN H 21 HIs HB2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 295, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 17 ALA HA 20 ASN H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 277, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 19 ARG HB3 20 ASN H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 277, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 19 ARG H 20 ASN H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 277, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 20 ASN H 21 HIs HB3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 296, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 24 SER HA 25 CYS H 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 353, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 25 CYS H 25 CYS HB3 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 24 SER QB 25 CYS H 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 346, 347,
 &end
#
# 25 CYS H 25 CYS HB2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 13 SER H 17 ALA QB 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 237, 238, 239,
 &end
#
# 13 SER H 13 SER HB3 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 9 LEU H 48 CYS HB2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 668, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 LEU H 9 LEU HB2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 8 GLY H 9 LEU H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 9 LEU H 10 CYS H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 9 LEU H 9 LEU HB3 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 128, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 9 LEU H 48 CYS HB3 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 669, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 LEU H 9 LEU HG 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 130, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 9 LEU H 9 LEU QD1 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 132, 133, 134,
 &end
#
# 9 LEU H 9 LEU QD2 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 136, 137, 138,
 &end
#
# 35 CYS HA 54 CYS HA 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 747, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 15 LEU H 15 LEU HB3 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 15 LEU HG 16 THR H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 15 LEU H 15 LEU QD1 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 209, 210, 211,
 &end
#
# 15 LEU QD1 16 THR H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 209, 210, 211,
 &end
#
# 15 LEU H 15 LEU HB2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 204, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 14 GLY HA2 15 LEU H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 15 LEU QD2 16 THR H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 213, 214, 215,
 &end
#
# 6 ARG H 6 ARG HG3 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  76, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 6 ARG H 6 ARG HB2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  72, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 6 ARG H 6 ARG HG2 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  75, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 5 THR HA 6 ARG H 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  68, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 5 THR QG2 6 ARG H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  68, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=  60,  61,  62,
 &end
#
# 38 ALA QB 49 THR H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 536, 537, 538,
 &end
#
# 40 CYS HA 49 THR H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 674, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 49 THR H 49 THR QG2 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 680, 681, 682,
 &end
#
# 49 THR H 49 THR HB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 47 THR QG2 49 THR H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 656, 657, 658,
 &end
#
# 48 CYS HA 49 THR H 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 674, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 48 CYS HB3 49 THR H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 9 LEU HB2 10 CYS H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 10 CYS H 11 VAL H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 9 LEU HB3 10 CYS H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 142, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 10 CYS H 11 VAL HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 154, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 35 CYS HA 36 SER H 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 36 SER H 36 SER HB3 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 512, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 35 CYS HB2 36 SER H 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 507, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 35 CYS HB3 36 SER H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 36 SER H 36 SER HB2 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 38 ALA H 39 GLN HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 ARG HE 38 ALA H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 532, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 37 ASN H 38 ALA H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 532, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 15 LEU QD1 38 ALA H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 209, 210, 211,
 &end
#
# 38 ALA H 51 ILE HB 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 702, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 19 ARG QG 38 ALA H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 260, 261,
 &end
#
# 19 ARG HA 38 ALA H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 532, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 38 ALA H 51 ILE HG12 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 708, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 37 ASN HA 38 ALA H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 532, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 5 THR H 5 THR QG2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=  60,  61,  62,
 &end
#
# 4 PRO HB2 5 THR H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  54, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 4 PRO HA 5 THR H 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  54, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 15 LEU QD2 40 CYS H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 213, 214, 215,
 &end
#
# 5 THR H 5 THR HB 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  58, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 4 PRO HB3 5 THR H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  54, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 16 THR QG2 20 ASN HD22 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 225, 226, 227,
 &end
#
# 21 HIs HE1 27 ARG H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 381, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 21 HIs HE1 26 HIs HB3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 368, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 21 HIs HE1 26 HIs HB2 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 367, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 39 GLN HB3 39 GLN HE22 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 39 GLN HB2 39 GLN HE22 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 554, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 40 CYS HB2 41 THR H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 569, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 40 CYS HA 41 THR H 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40 CYS HB3 41 THR H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 41 THR H 47 THR HB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 654, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 41 THR H 41 THR QG2 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 575, 576, 577,
 &end
#
# 46 THR H 46 THR QG2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 642, 643, 644,
 &end
#
# 30 VAL H 33 VAL QG1 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 463, 464, 465,
 &end
#
# 29 ASP H 30 VAL H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 7 ARG HA 7 ARG HE 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 105, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 54 CYS H 54 CYS HB2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 53 PRO HA 54 CYS H 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 53 PRO HB3 54 CYS H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 745, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 35 CYS HB3 54 CYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 SER H 13 SER HB2 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 9 LEU QD2 13 SER H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 136, 137, 138,
 &end
#
# 30 VAL H 31 GLY H 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 440, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 30 VAL HB 31 GLY H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 440, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 11 VAL QG2 12 THR H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 162, 163, 164,
 &end
#
# 11 VAL H 12 THR H 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 12 THR H 13 SER H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 12 THR H 12 THR QG2 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 174, 175, 176,
 &end
#
# 11 VAL HB 12 THR H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 168, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11 VAL QG1 12 THR H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 158, 159, 160,
 &end
#
# 12 THR H 12 THR HB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 43 PHE HA 43 PHE QD 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 598, 606,
 &end
#
# 7 ARG H 7 ARG HG3 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 100, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 6 ARG HB2 7 ARG H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  92, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 7 ARG H 9 LEU QD1 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 132, 133, 134,
 &end
#
# 7 ARG H 7 ARG HB2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 7 ARG H 7 ARG HG2 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  99, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 6 ARG HA 7 ARG H 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  92, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 6 ARG HB3 7 ARG H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  92, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 7 ARG H 7 ARG HB3 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 18 CYS H 18 CYS HB2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 247, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 18 CYS H 18 CYS HB3 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 248, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 15 LEU HA 18 CYS H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 243, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 9 LEU HB3 18 CYS H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 243, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 19 ARG H 19 ARG HB2 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 257, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 18 CYS HB2 19 ARG H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 253, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 15 LEU QD1 19 ARG H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 209, 210, 211,
 &end
#
# 19 ARG H 38 ALA QB 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 536, 537, 538,
 &end
#
# 18 CYS HB3 19 ARG H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 19 ARG H 19 ARG HD2 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 263, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 19 ARG H 19 ARG HD3 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 264, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 15 LEU HA 19 ARG H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 253, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 17 ALA HA 19 ARG H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 253, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 ARG H 19 ARG HB3 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 258, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 18 CYS H 19 ARG H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 253, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 16 THR HA 19 ARG H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 253, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 23 ARG HB2 23 ARG HE 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 331, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 23 ARG HB3 23 ARG HE 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 331, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 22 CYS H 22 CYS HB2 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 22 CYS H 23 ARG H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 318, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 22 CYS H 38 ALA QB 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 536, 537, 538,
 &end
#
# 19 ARG HA 22 CYS H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 308, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 21 HIs HB2 22 CYS H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 308, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 22 CYS H 22 CYS HB3 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 21 HIs H 22 CYS H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 308, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 21 HIs HD2 22 CYS H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 21 HIs HB3 22 CYS H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 308, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 27 ARG QD 28 GLY H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 391, 392,
 &end
#
# 18 CYS HA 22 CYS H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 308, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 56 ARG HB2 57 CYS H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 793, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 57 CYS H 57 CYS HB3 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 33 VAL QG1 57 CYS H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 463, 464, 465,
 &end
#
# 32 CYS QB 57 CYS H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 451, 452,
 &end
#
# 56 ARG HB3 57 CYS H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 793, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 56 ARG HA 57 CYS H 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 793, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 34 ARG QB 35 CYS H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 477, 478,
 &end
#
# 35 CYS H 35 CYS HB3 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 20 ASN QB 20 ASN HD21 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr1= 281, 282,
 &end
#
# 20 ASN HA 20 ASN HD21 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 20 ASN H 20 ASN HD21 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 287, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 22 CYS HA 26 HIs HE1 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 373, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 20 ASN QB 21 HIs H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 281, 282,
 &end
#
# 44 LEU H 45 GLY H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 17 ALA QB 21 HIs H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 237, 238, 239,
 &end
#
# 20 ASN H 21 HIs H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 291, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 19 ARG HA 21 HIs H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 21 HIs H 21 HIs HB2 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 295, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 17 ALA HA 21 HIs H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 291, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 19 ARG H 21 HIs H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 291, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 21 HIs H 21 HIs HD2 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 304, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 21 HIs H 21 HIs HB3 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 9 LEU QD2 21 HIs H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 136, 137, 138,
 &end
#
# 39 GLN HB3 39 GLN HE21 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 39 GLN HB2 39 GLN HE21 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 29 ASP H 33 VAL QG2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 467, 468, 469,
 &end
#
# 29 ASP H 29 ASP HB2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 29 ASP H 29 ASP HB3 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 28 GLY HA3 29 ASP H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 21 HIs HB2 21 HIs HD2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 304, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 9 LEU QD1 21 HIs HD2 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 132, 133, 134,
 &end
#
# 21 HIs HB3 21 HIs HD2 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 304, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 27 ARG H 33 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 ILE QG2 52 ASN H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 704, 705, 706,
 &end
#
# 51 ILE HA 52 ASN H 2.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 717, r1= 1.30, r2= 1.80, r3= 2.51, r4= 3.01,  &end
#
# 51 ILE QD1 52 ASN H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 711, 712, 713,
 &end
#
# 3 CYS H 4 PRO HD2 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  41, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 3 CYS H 4 PRO HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  50, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 37 ASN HD22 38 ALA H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 14 GLY H 17 ALA QB 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 237, 238, 239,
 &end
#
# 13 SER H 14 GLY H 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 193, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 13 SER HB2 14 GLY H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 193, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 13 SER HB3 14 GLY H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 193, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 10 CYS HA 14 GLY H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 193, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 50 CYS H 50 CYS HB2 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 49 THR H 50 CYS H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 688, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 50 CYS H 50 CYS HB3 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 49 THR HA 50 CYS H 2.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 688, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07,  &end
#
# 23 ARG HB2 24 SER H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 342, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 23 ARG HB3 24 SER H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 22 CYS HA 24 SER H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 342, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 21 HIs HA 24 SER H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 342, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 24 SER H 34 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
# 24 SER H 24 SER QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 346, 347,
 &end
#
# 41 THR HA 42 GLY H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 41 THR QG2 42 GLY H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 575, 576, 577,
 &end
#
# 41 THR HB 42 GLY H 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 6 ARG HB2 21 HIs HE1 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 301, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 9 LEU HB3 13 SER H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 182, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 5 THR QG2 21 HIs HE1 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=  60,  61,  62,
 &end
#
# 6 ARG HB3 21 HIs HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 ARG HG3 21 HIs HE1 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 301, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 39 GLN HE21 51 ILE QD1 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 711, 712, 713,
 &end
#
# 43 PHE QE 44 LEU QD2 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 600, 604,
 igr2= 623, 624, 625,
 &end
#
# 43 PHE QD 44 LEU QD2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 598, 606,
 igr2= 623, 624, 625,
 &end
#
# 43 PHE QD 44 LEU QD1 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 598, 606,
 igr2= 619, 620, 621,
 &end
#
# 43 PHE HZ 44 LEU QD1 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 619, 620, 621,
 &end
#
# 43 PHE HZ 44 LEU QD2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 623, 624, 625,
 &end
#
# 43 PHE QE 44 LEU QD1 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 600, 604,
 igr2= 619, 620, 621,
 &end
#
# 39 GLN HE21 41 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 575, 576, 577,
 &end
#
# 39 GLN HE21 51 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 4 PRO HB2 21 HIs HE1 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 301, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 17 ALA QB 20 ASN HD21 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 237, 238, 239,
 &end
#
# 6 ARG HG2 21 HIs HE1 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 301, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 9 LEU HB2 18 CYS H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 243, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 48 CYS HB2 49 THR H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 674, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 27 ARG QD 33 VAL H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 391, 392,
 &end
#
# 22 CYS HA 35 CYS H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 497, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 20 ASN QB 22 CYS H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 281, 282,
 &end
#
# 22 CYS HA 26 HIs HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 HIs HD2 22 CYS HA 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 310, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 16 THR HB 20 ASN HD22 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 286, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 17 ALA HA 20 ASN HD22 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 286, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 26 HIs HD2 28 GLY HA3 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 408, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 13 SER HB2 17 ALA H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 233, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 16 THR HA 18 CYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ALA HA 20 ASN HD21 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 287, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 16 THR HA 20 ASN H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 47 THR HA 48 CYS H 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 664, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 26 HIs HA 27 ARG H 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 381, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 26 HIs HD2 28 GLY H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 405, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 43 PHE QD 44 LEU H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 598, 606,
 &end
#
# 22 CYS HB3 26 HIs HE1 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 373, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 22 CYS HB3 35 CYS H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 497, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 26 HIs HE1 35 CYS HB2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 501, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 4 PRO HG2 21 HIs HE1 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 301, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 39 GLN HE22 41 THR QG2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 575, 576, 577,
 &end
#
# 39 GLN HA 40 CYS H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 559, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 18 CYS HA 21 HIs H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 291, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 54 CYS H 55 PRO HD2 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 756, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 39 GLN HE22 51 ILE QD1 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 711, 712, 713,
 &end
#
# 26 HIs HD2 27 ARG HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 383, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 HIs HA 26 HIs HD2 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 377, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 26 HIs HD2 32 CYS HA 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 449, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 25 CYS HA 26 HIs H 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 363, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 28 GLY HA3 33 VAL H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 457, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 34 ARG H 57 CYS H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 793, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 34 ARG H 56 ARG HA 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 771, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 18 CYS H 20 ASN H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 277, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 26 HIs HE1 35 CYS H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 497, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 2 ASN H 3 CYS H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  30, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 34 ARG QB 57 CYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
# 7 ARG HA 7 ARG HD3 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 103, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 32 CYS HA 33 VAL QG1 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 463, 464, 465,
 &end
#
# 39 GLN HG2 51 ILE HG12 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 708, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 39 GLN HG2 49 THR HB 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 678, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 28 GLY HA2 33 VAL QG2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 467, 468, 469,
 &end
#
# 18 CYS HA 21 HIs HB3 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 296, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 9 LEU HB2 18 CYS HA 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 245, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 9 LEU QD1 18 CYS HA 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 132, 133, 134,
 &end
#
# 22 CYS HB3 38 ALA QB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 536, 537, 538,
 &end
#
# 6 ARG HA 6 ARG HG2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  75, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 9 LEU QD1 21 HIs HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 132, 133, 134,
 &end
#
# 3 CYS HB3 4 PRO HD2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  41, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9 LEU HB2 9 LEU QD2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 136, 137, 138,
 &end
#
# 9 LEU HA 9 LEU QD1 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 132, 133, 134,
 &end
#
# 9 LEU HB2 9 LEU QD1 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 132, 133, 134,
 &end
#
# 9 LEU HB3 9 LEU QD1 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 132, 133, 134,
 &end
#
# 22 CYS HB2 38 ALA QB 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 536, 537, 538,
 &end
#
# 15 LEU HB3 15 LEU QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 209, 210, 211,
 &end
#
# 15 LEU HA 15 LEU QD1 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 209, 210, 211,
 &end
#
# 15 LEU QD1 19 ARG QG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 209, 210, 211,
 igr2= 260, 261,
 &end
#
# 39 GLN HA 39 GLN HG2 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 549, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 39 GLN HA 39 GLN HG3 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 550, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 38 ALA QB 39 GLN HA 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 536, 537, 538,
 &end
#
# 11 VAL HB 46 THR QG2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 642, 643, 644,
 &end
#
# 4 PRO HG2 26 HIs HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 365, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 4 PRO HD3 26 HIs HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 365, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 46 THR HA 46 THR QG2 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 642, 643, 644,
 &end
#
# 41 THR HA 41 THR QG2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 575, 576, 577,
 &end
#
# 41 THR HA 41 THR HB 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 573, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 10 CYS HB3 46 THR HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 638, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 9 LEU HB2 48 CYS HB3 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 669, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 34 ARG QB 34 ARG QD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 477, 478,
 igr2= 483, 484,
 &end
#
# 9 LEU QD1 21 HIs HB2 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 132, 133, 134,
 &end
#
# 37 ASN HB2 51 ILE HB 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 702, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 27 ARG HA 27 ARG QD 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 391, 392,
 &end
#
# 27 ARG HA 27 ARG HG3 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 22 CYS HB2 35 CYS HB2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 501, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 6 ARG HB3 6 ARG HD3 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  79, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 9 LEU QD1 21 HIs HB3 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 132, 133, 134,
 &end
#
# 16 THR HA 16 THR QG2 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 225, 226, 227,
 &end
#
# 16 THR HA 19 ARG HB3 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 258, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 16 THR HA 19 ARG HB2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 257, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 9 LEU HB3 18 CYS HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 245, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 9 LEU HB3 18 CYS HB2 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 247, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 12 THR HA 12 THR QG2 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 174, 175, 176,
 &end
#
# 11 VAL HB 12 THR QG2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 174, 175, 176,
 &end
#
# 9 LEU HA 9 LEU QD2 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 136, 137, 138,
 &end
#
# 6 ARG HD3 9 LEU QD2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 136, 137, 138,
 &end
#
# 9 LEU QD2 21 HIs HB3 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 136, 137, 138,
 &end
#
# 50 CYS HA 51 ILE HB 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 702, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 9 LEU QD1 17 ALA QB 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 132, 133, 134,
 igr2= 237, 238, 239,
 &end
#
# 3 CYS HA 4 PRO HD2 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  41, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 3 CYS HA 4 PRO HG3 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  45, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 3 CYS HA 4 PRO HD3 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  42, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 47 THR HA 47 THR QG2 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 656, 657, 658,
 &end
#
# 44 LEU HB2 44 LEU QD2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 623, 624, 625,
 &end
#
# 44 LEU HB2 44 LEU QD1 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 619, 620, 621,
 &end
#
# 39 GLN HB3 51 ILE QD1 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 711, 712, 713,
 &end
#
# 38 ALA HA 51 ILE HB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 702, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 44 LEU HB3 44 LEU QD2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 623, 624, 625,
 &end
#
# 44 LEU HB3 44 LEU QD1 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 619, 620, 621,
 &end
#
# 22 CYS HB2 50 CYS HA 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 690, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 33 VAL HA 56 ARG HA 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 771, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 25 CYS HA 34 ARG QD 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 483, 484,
 &end
#
# 9 LEU HA 18 CYS HB2 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 247, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 9 LEU HA 11 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 GLN HB3 49 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 VAL HA 12 THR QG2 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 174, 175, 176,
 &end
#
# 17 ALA QB 18 CYS HB2 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 237, 238, 239,
 &end
#
# 17 ALA QB 21 HIs HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 237, 238, 239,
 &end
#
# 50 CYS HB3 51 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 ALA QB 50 CYS HB3 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 536, 537, 538,
 &end
#
# 56 ARG HB3 56 ARG QD 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 779, 780,
 &end
#
# 9 LEU HB2 18 CYS HB2 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 247, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 6 ARG HA 6 ARG HD3 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  79, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 39 GLN HB2 51 ILE QD1 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 711, 712, 713,
 &end
#
# 39 GLN HG3 51 ILE QD1 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 711, 712, 713,
 &end
#
# 39 GLN HB3 51 ILE HG13 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 709, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 9 LEU HA 12 THR QG2 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 174, 175, 176,
 &end
#
# 15 LEU QD1 19 ARG HB2 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 209, 210, 211,
 &end
#
# 17 ALA QB 18 CYS HA 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 237, 238, 239,
 &end
#
# 20 ASN HA 23 ARG HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 ARG HB3 57 CYS HA 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 56 ARG HB2 57 CYS HA 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 20 ASN HA 23 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 ARG QB 55 PRO HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
# 24 SER HA 34 ARG QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 477, 478,
 &end
#
# 41 THR QG2 47 THR HB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 575, 576, 577,
 &end
#
# 11 VAL HA 46 THR QG2 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 642, 643, 644,
 &end
#
# 39 GLN HB2 41 THR QG2 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 575, 576, 577,
 &end
#
# 25 CYS HA 34 ARG QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 477, 478,
 &end
#
# 3 CYS HB3 4 PRO HD3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  42, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 2 ASN H 2 ASN QD2 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=  25,  26,
 &end
#
# 2 ASN HA 2 ASN QB 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
 igr2=  20,  21,
 &end
#
# 2 ASN QB 2 ASN QD2 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=  20,  21,
 igr2=  25,  26,
 &end
#
# 3 CYS H 3 CYS QB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=  34,  35,
 &end
#
# 3 CYS QB 4 PRO HD2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  41, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=  34,  35,
 &end
#
# 4 PRO HB2 6 ARG QG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=  75,  76,
 &end
#
# 5 THR H 6 ARG QG 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=  75,  76,
 &end
#
# 5 THR HA 27 ARG QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 385, 386,
 &end
#
# 5 THR HB 27 ARG QB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 385, 386,
 &end
#
# 5 THR QG2 7 ARG QG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=  60,  61,  62,
 igr2=  99, 100,
 &end
#
# 5 THR QG2 7 ARG QD 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  60,  61,  62,
 igr2= 102, 103,
 &end
#
# 5 THR QG2 27 ARG QB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  60,  61,  62,
 igr2= 385, 386,
 &end
#
# 6 ARG H 6 ARG QG 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=  75,  76,
 &end
#
# 6 ARG H 6 ARG QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=  78,  79,
 &end
#
# 6 ARG HA 6 ARG QG 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=  75,  76,
 &end
#
# 6 ARG HA 6 ARG QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=  78,  79,
 &end
#
# 6 ARG HB2 6 ARG QD 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  78,  79,
 &end
#
# 6 ARG HB3 6 ARG QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=  78,  79,
 &end
#
# 6 ARG QG 21 HIs HE1 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=  75,  76,
 &end
#
# 6 ARG QD 9 LEU QD1 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  78,  79,
 igr2= 132, 133, 134,
 &end
#
# 6 ARG QD 9 LEU QD2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  78,  79,
 igr2= 136, 137, 138,
 &end
#
# 7 ARG H 7 ARG QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  96,  97,
 &end
#
# 7 ARG H 7 ARG QG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=  99, 100,
 &end
#
# 7 ARG HA 7 ARG QG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=  99, 100,
 &end
#
# 7 ARG HA 7 ARG QD 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 102, 103,
 &end
#
# 7 ARG QB 8 GLY H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=  96,  97,
 &end
#
# 9 LEU H 11 VAL QQG 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 158, 159, 160, 162, 163, 164,
 &end
#
# 9 LEU H 48 CYS QB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 668, 669,
 &end
#
# 9 LEU HA 11 VAL QQG 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 158, 159, 160, 162, 163, 164,
 &end
#
# 9 LEU HB2 48 CYS QB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 668, 669,
 &end
#
# 9 LEU HB3 48 CYS QB 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 668, 669,
 &end
#
# 9 LEU QD2 13 SER QB 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 136, 137, 138,
 igr2= 186, 187,
 &end
#
# 10 CYS H 10 CYS QB 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 146, 147,
 &end
#
# 10 CYS H 11 VAL QQG 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 158, 159, 160, 162, 163, 164,
 &end
#
# 10 CYS H 48 CYS QB 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 668, 669,
 &end
#
# 10 CYS QB 11 VAL H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 146, 147,
 &end
#
# 10 CYS QB 11 VAL QQG 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 146, 147,
 igr2= 158, 159, 160, 162, 163, 164,
 &end
#
# 10 CYS QB 46 THR HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 146, 147,
 &end
#
# 11 VAL H 11 VAL QQG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 158, 159, 160, 162, 163, 164,
 &end
#
# 11 VAL QQG 12 THR H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 158, 159, 160, 162, 163, 164,
 &end
#
# 11 VAL QQG 12 THR HA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 158, 159, 160, 162, 163, 164,
 &end
#
# 11 VAL QQG 46 THR HA 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 158, 159, 160, 162, 163, 164,
 &end
#
# 11 VAL QQG 46 THR HB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 158, 159, 160, 162, 163, 164,
 &end
#
# 13 SER QB 17 ALA H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 186, 187,
 &end
#
# 13 SER QB 18 CYS H 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 186, 187,
 &end
#
# 15 LEU HG 19 ARG QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 257, 258,
 &end
#
# 15 LEU QD1 19 ARG QB 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 209, 210, 211,
 igr2= 257, 258,
 &end
#
# 15 LEU QD1 40 CYS QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 209, 210, 211,
 igr2= 563, 564,
 &end
#
# 16 THR H 19 ARG QB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 257, 258,
 &end
#
# 16 THR HA 19 ARG QB 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 257, 258,
 &end
#
# 19 ARG H 19 ARG QB 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 257, 258,
 &end
#
# 19 ARG H 19 ARG QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 263, 264,
 &end
#
# 19 ARG QB 19 ARG QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 257, 258,
 igr2= 263, 264,
 &end
#
# 19 ARG QB 20 ASN H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 257, 258,
 &end
#
# 20 ASN HA 23 ARG QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 322, 323,
 &end
#
# 20 ASN HA 23 ARG QG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 325, 326,
 &end
#
# 23 ARG H 23 ARG QB 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 322, 323,
 &end
#
# 23 ARG H 23 ARG QG 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 325, 326,
 &end
#
# 23 ARG H 23 ARG QD 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 328, 329,
 &end
#
# 23 ARG HA 23 ARG QG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 325, 326,
 &end
#
# 23 ARG QB 23 ARG QD 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 322, 323,
 igr2= 328, 329,
 &end
#
# 23 ARG QB 23 ARG HE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
# 23 ARG QB 24 SER H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 322, 323,
 &end
#
# 23 ARG QG 24 SER H 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 325, 326,
 &end
#
# 23 ARG QG 36 SER HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 325, 326,
 &end
#
# 25 CYS H 25 CYS QB 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 357, 358,
 &end
#
# 25 CYS H 57 CYS QB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 797, 798,
 &end
#
# 25 CYS HA 57 CYS QB 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 797, 798,
 &end
#
# 25 CYS QB 26 HIs H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 357, 358,
 &end
#
# 25 CYS QB 34 ARG QB 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 357, 358,
 igr2= 477, 478,
 &end
#
# 27 ARG H 27 ARG QG 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 388, 389,
 &end
#
# 27 ARG HA 27 ARG QG 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 388, 389,
 &end
#
# 27 ARG QB 27 ARG HE 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 385, 386,
 &end
#
# 27 ARG QG 28 GLY H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 388, 389,
 &end
#
# 29 ASP H 29 ASP QB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 416, 417,
 &end
#
# 29 ASP QB 30 VAL H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 416, 417,
 &end
#
# 29 ASP QB 30 VAL HB 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 416, 417,
 &end
#
# 29 ASP QB 30 VAL QQG 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 416, 417,
 igr2= 430, 431, 432, 434, 435, 436,
 &end
#
# 30 VAL H 30 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 430, 431, 432, 434, 435, 436,
 &end
#
# 30 VAL QQG 56 ARG QD 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 430, 431, 432, 434, 435, 436,
 igr2= 779, 780,
 &end
#
# 31 GLY QA 32 CYS H 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr1= 442, 443,
 &end
#
# 33 VAL QG1 56 ARG QG 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 463, 464, 465,
 igr2= 776, 777,
 &end
#
# 34 ARG H 57 CYS QB 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 797, 798,
 &end
#
# 34 ARG QB 57 CYS QB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 477, 478,
 igr2= 797, 798,
 &end
#
# 34 ARG QG 55 PRO HG2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 480, 481,
 &end
#
# 34 ARG QG 57 CYS HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 480, 481,
 &end
#
# 34 ARG QG 57 CYS QB 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 480, 481,
 igr2= 797, 798,
 &end
#
# 34 ARG HE 57 CYS QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 797, 798,
 &end
#
# 36 SER H 36 SER QB 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 511, 512,
 &end
#
# 36 SER QB 51 ILE QG2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 511, 512,
 igr2= 704, 705, 706,
 &end
#
# 36 SER QB 53 PRO HG2 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 511, 512,
 &end
#
# 37 ASN QB 37 ASN QD2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 522, 523,
 igr2= 527, 528,
 &end
#
# 37 ASN QB 38 ALA H 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 522, 523,
 &end
#
# 37 ASN QB 51 ILE H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 522, 523,
 &end
#
# 37 ASN QB 51 ILE HB 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 522, 523,
 &end
#
# 37 ASN QB 51 ILE QG2 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 522, 523,
 igr2= 704, 705, 706,
 &end
#
# 37 ASN QB 51 ILE HG12 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 522, 523,
 &end
#
# 37 ASN QB 51 ILE QD1 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 522, 523,
 igr2= 711, 712, 713,
 &end
#
# 37 ASN QD2 38 ALA H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 527, 528,
 &end
#
# 40 CYS H 40 CYS QB 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 563, 564,
 &end
#
# 40 CYS QB 41 THR H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 563, 564,
 &end
#
# 41 THR H 42 GLY QA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 585, 586,
 &end
#
# 41 THR H 45 GLY QA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 631, 632,
 &end
#
# 41 THR HA 45 GLY QA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 631, 632,
 &end
#
# 42 GLY QA 43 PHE H 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 585, 586,
 &end
#
# 43 PHE H 43 PHE QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 594, 595,
 &end
#
# 43 PHE QB 44 LEU H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 594, 595,
 &end
#
# 43 PHE QD 44 LEU QQD 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 598, 606,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 43 PHE QE 44 LEU QQD 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 600, 604,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 43 PHE HZ 44 LEU QQD 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 44 LEU H 44 LEU QQD 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 44 LEU HA 44 LEU QQD 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
# 44 LEU QB 46 THR QG2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 614, 615,
 igr2= 642, 643, 644,
 &end
#
# 45 GLY QA 46 THR HA 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 631, 632,
 &end
#
# 45 GLY QA 46 THR QG2 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 631, 632,
 igr2= 642, 643, 644,
 &end
#
# 45 GLY QA 47 THR H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 631, 632,
 &end
#
# 48 CYS H 48 CYS QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 668, 669,
 &end
#
# 48 CYS QB 49 THR H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 668, 669,
 &end
#
# 52 ASN H 52 ASN QB 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2= 721, 722,
 &end
#
# 52 ASN H 52 ASN QD2 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 726, 727,
 &end
#
# 52 ASN HA 53 PRO QD 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 732, 733,
 &end
#
# 52 ASN QB 52 ASN QD2 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 721, 722,
 igr2= 726, 727,
 &end
#
# 52 ASN QB 53 PRO HA 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr1= 721, 722,
 &end
#
# 52 ASN QB 54 CYS H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 721, 722,
 &end
#
# 55 PRO HA 56 ARG QG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 776, 777,
 &end
#
# 55 PRO QB 56 ARG H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 762, 763,
 &end
#
# 56 ARG H 56 ARG QB 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 773, 774,
 &end
#
# 56 ARG H 56 ARG QG 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 776, 777,
 &end
#
# 56 ARG HA 56 ARG QG 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 776, 777,
 &end
#
# 56 ARG QG 57 CYS H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 776, 777,
 &end
#
# 19 ARG H 15 LEU O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 217, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 19 ARG N 15 LEU O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 217, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 20 ASN H 16 THR O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 231, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 20 ASN N 16 THR O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 231, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 21 HIs H 17 ALA O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 241, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 21 HIs N 17 ALA O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 241, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 22 CYS H 18 CYS O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 251, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 22 CYS N 18 CYS O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 251, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 33 VAL H 26 HIs O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 379, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 33 VAL N 26 HIs O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 379, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 39 GLN H 49 THR O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 686, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 39 GLN N 49 THR O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 686, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 41 THR H 47 THR O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 662, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 41 THR N 47 THR O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 662, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 49 THR H 39 GLN O 1.70 2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 557, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 49 THR N 39 GLN O 2.60 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 557, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=17,22,20,21, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3 = 200.,  &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=15,27,18,19, &end
#
#  chirality for residue 3 atoms:  CA SG HB2 HB3
 &rst iat=31,36,34,35, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=29,37,32,33, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=49,43,47,48, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=46,40,44,45, &end
#
#  chirality for residue 4 atoms:  CG N HD2 HD3
 &rst iat=43,39,41,42, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=39,51,50,46, &end
#
#  chirality for residue 5 atoms:  CA CG2 OG1 HB
 &rst iat=55,59,63,58, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=53,65,56,57, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=69,74,72,73, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=71,77,75,76, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=74,80,78,79, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=67,89,70,71, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=93,98,96,97, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=95,101,99,100, &end
#
#  chirality for residue 7 atoms:  CG NE HD2 HD3
 &rst iat=98,104,102,103, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=91,113,94,95, &end
#
#  chirality for residue 8 atoms:  N C HA2 HA3
 &rst iat=115,120,118,119, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=124,129,127,128, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=126,131,135,130, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=122,139,125,126, &end
#
#  chirality for residue 10 atoms:  CA SG HB2 HB3
 &rst iat=143,148,146,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=141,149,144,145, &end
#
#  chirality for residue 11 atoms:  CA CG1 CG2 HB
 &rst iat=153,157,161,156, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=151,165,154,155, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=169,173,177,172, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=167,179,170,171, &end
#
#  chirality for residue 13 atoms:  CA OG HB2 HB3
 &rst iat=183,188,186,187, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=181,190,184,185, &end
#
#  chirality for residue 14 atoms:  N C HA2 HA3
 &rst iat=192,197,195,196, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=201,206,204,205, &end
#
#  chirality for residue 15 atoms:  CB CD1 CD2 HG
 &rst iat=203,208,212,207, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=199,216,202,203, &end
#
#  chirality for residue 16 atoms:  CA CG2 OG1 HB
 &rst iat=220,224,228,223, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=218,230,221,222, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=232,240,235,236, &end
#
#  chirality for residue 18 atoms:  CA SG HB2 HB3
 &rst iat=244,249,247,248, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=242,250,245,246, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=254,259,257,258, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=256,262,260,261, &end
#
#  chirality for residue 19 atoms:  CG NE HD2 HD3
 &rst iat=259,265,263,264, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=252,274,255,256, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=278,283,281,282, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=276,288,279,280, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=292,297,295,296, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=290,305,293,294, &end
#
#  chirality for residue 22 atoms:  CA SG HB2 HB3
 &rst iat=309,314,312,313, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=307,315,310,311, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=321,327,325,326, &end
#
#  chirality for residue 23 atoms:  CG NE HD2 HD3
 &rst iat=324,330,328,329, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=317,339,320,321, &end
#
#  chirality for residue 24 atoms:  CA OG HB2 HB3
 &rst iat=343,348,346,347, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=341,350,344,345, &end
#
#  chirality for residue 25 atoms:  CA SG HB2 HB3
 &rst iat=354,359,357,358, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=352,360,355,356, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=364,369,367,368, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=362,378,365,366, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 27 atoms:  CG NE HD2 HD3
 &rst iat=387,393,391,392, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=380,402,383,384, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=404,409,407,408, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=411,421,414,415, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=425,429,433,428, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=423,437,426,427, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=439,444,442,443, &end
#
#  chirality for residue 32 atoms:  CA SG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=446,454,449,450, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=458,462,466,461, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=456,470,459,460, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=474,479,477,478, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=476,482,480,481, &end
#
#  chirality for residue 34 atoms:  CG NE HD2 HD3
 &rst iat=479,485,483,484, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=472,494,475,476, &end
#
#  chirality for residue 35 atoms:  CA SG HB2 HB3
 &rst iat=498,503,501,502, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=496,504,499,500, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=508,513,511,512, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=506,515,509,510, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=517,529,520,521, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=531,539,534,535, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=543,548,546,547, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=545,551,549,550, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=541,556,544,545, &end
#
#  chirality for residue 40 atoms:  CA SG HB2 HB3
 &rst iat=560,565,563,564, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=558,566,561,562, &end
#
#  chirality for residue 41 atoms:  CA CG2 OG1 HB
 &rst iat=570,574,578,573, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=568,580,571,572, &end
#
#  chirality for residue 42 atoms:  N C HA2 HA3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=591,596,594,595, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=589,607,592,593, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=613,618,622,617, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=609,626,612,613, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 46 atoms:  CA CG2 OG1 HB
 &rst iat=637,641,645,640, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=635,647,638,639, &end
#
#  chirality for residue 47 atoms:  CA CG2 OG1 HB
 &rst iat=651,655,659,654, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=649,661,652,653, &end
#
#  chirality for residue 48 atoms:  CA SG HB2 HB3
 &rst iat=665,670,668,669, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=663,671,666,667, &end
#
#  chirality for residue 49 atoms:  CA CG2 OG1 HB
 &rst iat=675,679,683,678, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=673,685,676,677, &end
#
#  chirality for residue 50 atoms:  CA SG HB2 HB3
 &rst iat=689,694,692,693, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=687,695,690,691, &end
#
#  chirality for residue 51 atoms:  CA CG2 CG1 HB
 &rst iat=699,703,707,702, &end
#
#  chirality for residue 51 atoms:  CB CD1 HG12 HG13
 &rst iat=701,710,708,709, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=697,714,700,701, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=718,723,721,722, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=716,728,719,720, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=740,734,738,739, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=737,731,735,736, &end
#
#  chirality for residue 53 atoms:  CG N HD2 HD3
 &rst iat=734,730,732,733, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=730,742,741,737, &end
#
#  chirality for residue 54 atoms:  CA SG HB2 HB3
 &rst iat=746,751,749,750, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=744,752,747,748, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=764,758,762,763, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=761,755,759,760, &end
#
#  chirality for residue 55 atoms:  CG N HD2 HD3
 &rst iat=758,754,756,757, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=754,766,765,761, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=770,775,773,774, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=772,778,776,777, &end
#
#  chirality for residue 56 atoms:  CG NE HD2 HD3
 &rst iat=775,781,779,780, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=768,790,771,772, &end
#
#  chirality for residue 57 atoms:  CA SG HB2 HB3
 &rst iat=794,799,797,798, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=792,800,795,796, &end
#
#  trans-omega constraint for residue 2
 &rst iat=17,15,13,3, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=31,29,27,17, &end
#
#  trans-omega constraint for residue 4
 &rst iat=49,39,37,31, &end
#
#  trans-omega constraint for residue 5
 &rst iat=55,53,51,49, &end
#
#  trans-omega constraint for residue 6
 &rst iat=69,67,65,55, &end
#
#  trans-omega constraint for residue 7
 &rst iat=93,91,89,69, &end
#
#  trans-omega constraint for residue 8
 &rst iat=117,115,113,93, &end
#
#  trans-omega constraint for residue 9
 &rst iat=124,122,120,117, &end
#
#  trans-omega constraint for residue 10
 &rst iat=143,141,139,124, &end
#
#  trans-omega constraint for residue 11
 &rst iat=153,151,149,143, &end
#
#  trans-omega constraint for residue 12
 &rst iat=169,167,165,153, &end
#
#  trans-omega constraint for residue 13
 &rst iat=183,181,179,169, &end
#
#  trans-omega constraint for residue 14
 &rst iat=194,192,190,183, &end
#
#  trans-omega constraint for residue 15
 &rst iat=201,199,197,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=220,218,216,201, &end
#
#  trans-omega constraint for residue 17
 &rst iat=234,232,230,220, &end
#
#  trans-omega constraint for residue 18
 &rst iat=244,242,240,234, &end
#
#  trans-omega constraint for residue 19
 &rst iat=254,252,250,244, &end
#
#  trans-omega constraint for residue 20
 &rst iat=278,276,274,254, &end
#
#  trans-omega constraint for residue 21
 &rst iat=292,290,288,278, &end
#
#  trans-omega constraint for residue 22
 &rst iat=309,307,305,292, &end
#
#  trans-omega constraint for residue 23
 &rst iat=319,317,315,309, &end
#
#  trans-omega constraint for residue 24
 &rst iat=343,341,339,319, &end
#
#  trans-omega constraint for residue 25
 &rst iat=354,352,350,343, &end
#
#  trans-omega constraint for residue 26
 &rst iat=364,362,360,354, &end
#
#  trans-omega constraint for residue 27
 &rst iat=382,380,378,364, &end
#
#  trans-omega constraint for residue 28
 &rst iat=406,404,402,382, &end
#
#  trans-omega constraint for residue 29
 &rst iat=413,411,409,406, &end
#
#  trans-omega constraint for residue 30
 &rst iat=425,423,421,413, &end
#
#  trans-omega constraint for residue 31
 &rst iat=441,439,437,425, &end
#
#  trans-omega constraint for residue 32
 &rst iat=448,446,444,441, &end
#
#  trans-omega constraint for residue 33
 &rst iat=458,456,454,448, &end
#
#  trans-omega constraint for residue 34
 &rst iat=474,472,470,458, &end
#
#  trans-omega constraint for residue 35
 &rst iat=498,496,494,474, &end
#
#  trans-omega constraint for residue 36
 &rst iat=508,506,504,498, &end
#
#  trans-omega constraint for residue 37
 &rst iat=519,517,515,508, &end
#
#  trans-omega constraint for residue 38
 &rst iat=533,531,529,519, &end
#
#  trans-omega constraint for residue 39
 &rst iat=543,541,539,533, &end
#
#  trans-omega constraint for residue 40
 &rst iat=560,558,556,543, &end
#
#  trans-omega constraint for residue 41
 &rst iat=570,568,566,560, &end
#
#  trans-omega constraint for residue 42
 &rst iat=584,582,580,570, &end
#
#  trans-omega constraint for residue 43
 &rst iat=591,589,587,584, &end
#
#  trans-omega constraint for residue 44
 &rst iat=611,609,607,591, &end
#
#  trans-omega constraint for residue 45
 &rst iat=630,628,626,611, &end
#
#  trans-omega constraint for residue 46
 &rst iat=637,635,633,630, &end
#
#  trans-omega constraint for residue 47
 &rst iat=651,649,647,637, &end
#
#  trans-omega constraint for residue 48
 &rst iat=665,663,661,651, &end
#
#  trans-omega constraint for residue 49
 &rst iat=675,673,671,665, &end
#
#  trans-omega constraint for residue 50
 &rst iat=689,687,685,675, &end
#
#  trans-omega constraint for residue 51
 &rst iat=699,697,695,689, &end
#
#  trans-omega constraint for residue 52
 &rst iat=718,716,714,699, &end
#
#  trans-omega constraint for residue 54
 &rst iat=746,744,742,740, &end
#
#  trans-omega constraint for residue 55
 &rst iat=764,754,752,746, &end
#
#  trans-omega constraint for residue 56
 &rst iat=770,768,766,764, &end
#
#  trans-omega constraint for residue 57
 &rst iat=794,792,790,770, &end
#
#  cis-omega constraint for residue 53
 &rst iat=740,730,728,718, 
 r1=-30., r2=-10., r3=10., r4=30., rk2 = 200., rk3=200., &end
#

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PCA   1           HA       PCA   1 -17.318  -2.657  -2.113
    2    HB2  PCA   1           HB2      PCA   1 -14.498  -3.710  -1.745
    3    HB3  PCA   1           HB3      PCA   1 -15.915  -3.924  -0.658
    4    HG2  PCA   1           HG2      PCA   1 -16.896  -5.523  -2.121
    5    HG3  PCA   1           HG3      PCA   1 -15.163  -5.856  -2.476
    6    H    ASN   2           H        ASN   2 -16.234  -1.196  -0.443
    7    HA   ASN   2           HA       ASN   2 -15.082   1.108  -1.797
    8    HB2  ASN   2           HB2      ASN   2 -16.793   1.275  -0.025
    9    HB3  ASN   2           HB3      ASN   2 -15.656   0.572   1.141
   10   HD21  ASN   2          HD21      ASN   2 -15.988   3.301  -1.197
   11   HD22  ASN   2          HD22      ASN   2 -15.073   4.446  -0.237
   12    H    CYS   3           H        CYS   3 -13.803  -1.747  -0.619
   13    HA   CYS   3           HA       CYS   3 -11.074  -0.655  -0.604
   14    HB2  CYS   3           HB2      CYS   3 -10.558  -1.808   1.543
   15    HB3  CYS   3           HB3      CYS   3 -11.609  -0.401   1.686
   16    HA   PRO   4           HA       PRO   4 -11.717  -4.715  -2.731
   17    HB2  PRO   4           HB2      PRO   4 -10.638  -4.053  -5.137
   18    HB3  PRO   4           HB3      PRO   4 -12.290  -3.525  -4.657
   19    HG2  PRO   4           HG2      PRO   4  -9.691  -1.967  -4.440
   20    HG3  PRO   4           HG3      PRO   4 -11.236  -1.432  -5.186
   21    HD2  PRO   4           HD2      PRO   4 -10.580  -0.786  -2.624
   22    HD3  PRO   4           HD3      PRO   4 -12.268  -1.168  -3.078
   23    H    THR   5           H        THR   5 -10.013  -6.056  -4.003
   24    HA   THR   5           HA       THR   5  -7.406  -5.794  -2.599
   25    HB   THR   5           HB       THR   5  -8.519  -8.226  -4.042
   26    HG1  THR   5           HG1      THR   5  -9.162  -8.918  -2.007
   27   HG21  THR   5          HG21      THR   5  -6.897  -9.412  -2.577
   28   HG22  THR   5          HG22      THR   5  -6.084  -8.231  -3.623
   29   HG23  THR   5          HG23      THR   5  -6.368  -7.855  -1.906
   30    H    ARG   6           H        ARG   6  -5.656  -5.174  -3.821
   31    HA   ARG   6           HA       ARG   6  -5.555  -5.982  -6.672
   32    HB2  ARG   6           HB2      ARG   6  -5.002  -3.138  -5.768
   33    HB3  ARG   6           HB3      ARG   6  -4.905  -3.791  -7.412
   34    HG2  ARG   6           HG2      ARG   6  -7.374  -4.325  -7.275
   35    HG3  ARG   6           HG3      ARG   6  -7.410  -3.488  -5.709
   36    HD2  ARG   6           HD2      ARG   6  -8.131  -1.940  -7.376
   37    HD3  ARG   6           HD3      ARG   6  -6.504  -1.442  -6.869
   38    HE   ARG   6           HE       ARG   6  -6.250  -3.164  -9.111
   39   HH11  ARG   6          HH11      ARG   6  -7.517   0.046  -8.341
   40   HH12  ARG   6          HH12      ARG   6  -7.247   0.662  -9.956
   41   HH21  ARG   6          HH21      ARG   6  -5.927  -2.337 -11.209
   42   HH22  ARG   6          HH22      ARG   6  -6.360  -0.682 -11.572
   43    H    ARG   7           H        ARG   7  -3.539  -6.702  -7.201
   44    HA   ARG   7           HA       ARG   7  -1.225  -5.920  -5.485
   45    HB2  ARG   7           HB2      ARG   7  -1.955  -8.758  -6.294
   46    HB3  ARG   7           HB3      ARG   7  -0.489  -8.286  -5.433
   47    HG2  ARG   7           HG2      ARG   7  -3.336  -7.973  -4.398
   48    HG3  ARG   7           HG3      ARG   7  -2.212  -9.262  -3.949
   49    HD2  ARG   7           HD2      ARG   7  -1.799  -6.297  -3.409
   50    HD3  ARG   7           HD3      ARG   7  -2.297  -7.506  -2.221
   51    HE   ARG   7           HE       ARG   7   0.386  -7.012  -3.254
   52   HH11  ARG   7          HH11      ARG   7  -1.685  -9.445  -1.740
   53   HH12  ARG   7          HH12      ARG   7  -0.338 -10.327  -1.058
   54   HH21  ARG   7          HH21      ARG   7   2.090  -8.129  -2.335
   55   HH22  ARG   7          HH22      ARG   7   1.813  -9.591  -1.412
   56    H    GLY   8           H        GLY   8  -2.537  -6.392  -8.605
   57    HA2  GLY   8           HA2      GLY   8   0.005  -7.058  -9.913
   58    HA3  GLY   8           HA3      GLY   8  -1.577  -6.851 -10.679
   59    H    LEU   9           H        LEU   9  -0.720  -4.311  -8.480
   60    HA   LEU   9           HA       LEU   9  -0.969  -2.367 -10.547
   61    HB2  LEU   9           HB2      LEU   9   0.060  -2.136  -7.693
   62    HB3  LEU   9           HB3      LEU   9  -0.435  -0.775  -8.722
   63    HG   LEU   9           HG       LEU   9  -2.258  -3.081  -7.894
   64   HD11  LEU   9          HD11      LEU   9  -2.096  -0.220  -6.883
   65   HD12  LEU   9          HD12      LEU   9  -3.309  -1.434  -6.408
   66   HD13  LEU   9          HD13      LEU   9  -1.598  -1.678  -5.985
   67   HD21  LEU   9          HD21      LEU   9  -2.962  -2.043 -10.011
   68   HD22  LEU   9          HD22      LEU   9  -4.052  -1.546  -8.700
   69   HD23  LEU   9          HD23      LEU   9  -2.810  -0.420  -9.277
   70    H    CYS  10           H        CYS  10   1.816  -4.158  -9.483
   71    HA   CYS  10           HA       CYS  10   3.659  -2.083 -10.505
   72    HB2  CYS  10           HB2      CYS  10   4.100  -4.725  -9.093
   73    HB3  CYS  10           HB3      CYS  10   5.399  -3.680  -9.686
   74    H    VAL  11           H        VAL  11   1.762  -4.340 -11.986
   75    HA   VAL  11           HA       VAL  11   3.841  -5.533 -13.682
   76    HB   VAL  11           HB       VAL  11   0.803  -5.732 -13.777
   77   HG11  VAL  11          HG11      VAL  11   1.247  -7.754 -15.150
   78   HG12  VAL  11          HG12      VAL  11   1.795  -6.274 -15.954
   79   HG13  VAL  11          HG13      VAL  11   2.975  -7.354 -15.160
   80   HG21  VAL  11          HG21      VAL  11   1.803  -6.660 -11.696
   81   HG22  VAL  11          HG22      VAL  11   1.162  -7.938 -12.746
   82   HG23  VAL  11          HG23      VAL  11   2.915  -7.635 -12.682
   83    H    THR  12           H        THR  12   1.517  -2.849 -13.830
   84    HA   THR  12           HA       THR  12   2.812  -1.959 -16.308
   85    HB   THR  12           HB       THR  12   1.114  -3.559 -17.112
   86    HG1  THR  12           HG1      THR  12   1.581  -1.722 -18.342
   87   HG21  THR  12          HG21      THR  12  -0.927  -1.685 -15.842
   88   HG22  THR  12          HG22      THR  12  -1.269  -3.097 -16.865
   89   HG23  THR  12          HG23      THR  12  -0.535  -3.323 -15.265
   90    H    SER  13           H        SER  13   0.569  -1.398 -13.609
   91    HA   SER  13           HA       SER  13   0.012   1.349 -14.387
   92    HB2  SER  13           HB2      SER  13  -0.452  -0.224 -11.824
   93    HB3  SER  13           HB3      SER  13  -1.021   1.426 -12.144
   94    HG   SER  13           HG       SER  13  -2.607  -0.148 -12.663
   95    H    GLY  14           H        GLY  14   2.484  -0.305 -12.630
   96    HA2  GLY  14           HA2      GLY  14   4.612   0.561 -12.171
   97    HA3  GLY  14           HA3      GLY  14   4.004   2.201 -12.394
   98    H    LEU  15           H        LEU  15   5.680   1.893 -10.376
   99    HA   LEU  15           HA       LEU  15   4.668   0.955  -7.904
  100    HB2  LEU  15           HB2      LEU  15   7.037   1.330  -8.310
  101    HB3  LEU  15           HB3      LEU  15   6.758   3.048  -8.631
  102    HG   LEU  15           HG       LEU  15   6.064   3.401  -6.298
  103   HD11  LEU  15          HD11      LEU  15   6.825   0.466  -5.915
  104   HD12  LEU  15          HD12      LEU  15   6.427   1.618  -4.618
  105   HD13  LEU  15          HD13      LEU  15   5.182   1.133  -5.780
  106   HD21  LEU  15          HD21      LEU  15   8.430   3.654  -6.950
  107   HD22  LEU  15          HD22      LEU  15   8.278   3.089  -5.275
  108   HD23  LEU  15          HD23      LEU  15   8.725   1.946  -6.564
  109    H    THR  16           H        THR  16   4.163   4.021  -9.631
  110    HA   THR  16           HA       THR  16   3.312   5.579  -7.404
  111    HB   THR  16           HB       THR  16   2.388   5.754 -10.296
  112    HG1  THR  16           HG1      THR  16   4.173   7.135 -10.497
  113   HG21  THR  16          HG21      THR  16   1.106   7.200  -8.776
  114   HG22  THR  16          HG22      THR  16   2.611   7.826  -8.067
  115   HG23  THR  16          HG23      THR  16   2.201   8.186  -9.763
  116    H    ALA  17           H        ALA  17   1.604   3.181  -9.441
  117    HA   ALA  17           HA       ALA  17  -0.997   3.870  -8.324
  118    HB1  ALA  17           HB1      ALA  17  -0.035   1.474  -9.933
  119    HB2  ALA  17           HB2      ALA  17  -1.730   1.859  -9.556
  120    HB3  ALA  17           HB3      ALA  17  -0.779   2.959 -10.580
  121    H    CYS  18           H        CYS  18   1.605   1.539  -7.651
  122    HA   CYS  18           HA       CYS  18   0.117  -0.044  -5.767
  123    HB2  CYS  18           HB2      CYS  18   2.113  -0.860  -6.902
  124    HB3  CYS  18           HB3      CYS  18   3.086   0.438  -6.201
  125    H    ARG  19           H        ARG  19   1.933   2.995  -5.605
  126    HA   ARG  19           HA       ARG  19   2.056   3.051  -2.700
  127    HB2  ARG  19           HB2      ARG  19   3.639   4.099  -4.457
  128    HB3  ARG  19           HB3      ARG  19   2.427   5.387  -4.594
  129    HG2  ARG  19           HG2      ARG  19   2.648   5.827  -2.147
  130    HG3  ARG  19           HG3      ARG  19   3.834   4.507  -2.039
  131    HD2  ARG  19           HD2      ARG  19   5.224   5.705  -3.772
  132    HD3  ARG  19           HD3      ARG  19   4.103   7.081  -3.640
  133    HE   ARG  19           HE       ARG  19   5.313   6.110  -1.130
  134   HH11  ARG  19          HH11      ARG  19   5.475   8.441  -3.780
  135   HH12  ARG  19          HH12      ARG  19   6.499   9.549  -2.899
  136   HH21  ARG  19          HH21      ARG  19   6.660   7.554  -0.011
  137   HH22  ARG  19          HH22      ARG  19   7.158   9.056  -0.760
  138    H    ASN  20           H        ASN  20  -0.096   4.265  -5.235
  139    HA   ASN  20           HA       ASN  20  -1.607   5.973  -3.422
  140    HB2  ASN  20           HB2      ASN  20  -2.160   4.905  -6.216
  141    HB3  ASN  20           HB3      ASN  20  -3.203   6.048  -5.376
  142   HD21  ASN  20          HD21      ASN  20  -2.182   6.762  -7.810
  143   HD22  ASN  20          HD22      ASN  20  -0.972   8.014  -7.604
  144    H    HIS  21           H        HIS  21  -1.805   2.579  -4.502
  145    HA   HIS  21           HA       HIS  21  -4.491   2.205  -3.473
  146    HB2  HIS  21           HB2      HIS  21  -3.538   0.877  -5.313
  147    HB3  HIS  21           HB3      HIS  21  -2.291   0.246  -4.231
  148    HD1  HIS  21           HD1      HIS  21  -6.153   0.046  -4.616
  149    HD2  HIS  21           HD2      HIS  21  -2.870  -1.888  -2.840
  150    HE1  HIS  21           HE1      HIS  21  -7.026  -2.154  -3.658
  151    H    CYS  22           H        CYS  22  -1.169   1.769  -2.238
  152    HA   CYS  22           HA       CYS  22  -2.023   0.397   0.162
  153    HB2  CYS  22           HB2      CYS  22   0.515   1.821  -0.673
  154    HB3  CYS  22           HB3      CYS  22   0.333   1.047   0.908
  155    H    ARG  23           H        ARG  23  -1.793   3.797  -0.797
  156    HA   ARG  23           HA       ARG  23  -2.043   4.687   2.003
  157    HB2  ARG  23           HB2      ARG  23  -1.763   6.121  -0.655
  158    HB3  ARG  23           HB3      ARG  23  -2.130   6.974   0.859
  159    HG2  ARG  23           HG2      ARG  23  -0.124   6.034   1.922
  160    HG3  ARG  23           HG3      ARG  23   0.289   5.170   0.426
  161    HD2  ARG  23           HD2      ARG  23   0.574   7.281  -0.762
  162    HD3  ARG  23           HD3      ARG  23  -0.061   8.188   0.624
  163    HE   ARG  23           HE       ARG  23   2.116   6.747   1.616
  164   HH11  ARG  23          HH11      ARG  23   1.586   9.239  -0.842
  165   HH12  ARG  23          HH12      ARG  23   3.171   9.941  -0.625
  166   HH21  ARG  23          HH21      ARG  23   4.146   7.684   1.887
  167   HH22  ARG  23          HH22      ARG  23   4.628   9.053   0.917
  168    H    SER  24           H        SER  24  -4.118   3.595  -0.435
  169    HA   SER  24           HA       SER  24  -6.434   5.087   0.696
  170    HB2  SER  24           HB2      SER  24  -6.189   3.352  -1.785
  171    HB3  SER  24           HB3      SER  24  -7.659   4.192  -1.248
  172    HG   SER  24           HG       SER  24  -5.205   5.327  -2.084
  173    H    CYS  25           H        CYS  25  -8.435   3.708   1.053
  174    HA   CYS  25           HA       CYS  25  -7.733   1.523   2.788
  175    HB2  CYS  25           HB2      CYS  25  -9.654   3.129   3.052
  176    HB3  CYS  25           HB3      CYS  25 -10.464   2.306   1.716
  177    H    HIS  26           H        HIS  26  -7.425  -0.593   2.288
  178    HA   HIS  26           HA       HIS  26  -8.693  -1.716  -0.150
  179    HB2  HIS  26           HB2      HIS  26  -6.486  -2.684  -0.797
  180    HB3  HIS  26           HB3      HIS  26  -6.517  -0.919  -0.889
  181    HD1  HIS  26           HD1      HIS  26  -4.774   0.372   0.564
  182    HD2  HIS  26           HD2      HIS  26  -5.186  -3.717   1.490
  183    HE1  HIS  26           HE1      HIS  26  -2.946  -0.175   2.289
  184    HE2  HIS  26           HE2      HIS  26  -3.229  -2.662   2.855
  185    H    ARG  27           H        ARG  27  -8.262  -4.160  -0.198
  186    HA   ARG  27           HA       ARG  27  -9.128  -5.197   2.353
  187    HB2  ARG  27           HB2      ARG  27  -9.902  -5.963   0.078
  188    HB3  ARG  27           HB3      ARG  27  -8.302  -6.661  -0.183
  189    HG2  ARG  27           HG2      ARG  27  -9.985  -8.338   0.527
  190    HG3  ARG  27           HG3      ARG  27  -8.632  -8.234   1.665
  191    HD2  ARG  27           HD2      ARG  27  -9.946  -6.991   3.253
  192    HD3  ARG  27           HD3      ARG  27 -11.191  -6.651   2.047
  193    HE   ARG  27           HE       ARG  27 -12.216  -8.609   2.556
  194   HH11  ARG  27          HH11      ARG  27  -8.817  -8.969   3.553
  195   HH12  ARG  27          HH12      ARG  27  -9.107 -10.513   4.312
  196   HH21  ARG  27          HH21      ARG  27 -12.525 -10.620   3.545
  197   HH22  ARG  27          HH22      ARG  27 -11.185 -11.454   4.288
  198    H    GLY  28           H        GLY  28  -7.942  -5.978   3.973
  199    HA2  GLY  28           HA2      GLY  28  -5.040  -6.455   3.625
  200    HA3  GLY  28           HA3      GLY  28  -5.927  -6.296   5.146
  201    H    ASP  29           H        ASP  29  -4.786  -8.273   5.797
  202    HA   ASP  29           HA       ASP  29  -5.374 -10.748   4.360
  203    HB2  ASP  29           HB2      ASP  29  -3.199 -10.245   5.450
  204    HB3  ASP  29           HB3      ASP  29  -4.009 -10.253   7.025
  205    H    VAL  30           H        VAL  30  -6.815  -8.963   6.994
  206    HA   VAL  30           HA       VAL  30  -8.719 -11.211   7.410
  207    HB   VAL  30           HB       VAL  30  -6.959 -11.245   9.164
  208   HG11  VAL  30          HG11      VAL  30  -8.081  -8.521   9.938
  209   HG12  VAL  30          HG12      VAL  30  -6.890  -9.463  10.856
  210   HG13  VAL  30          HG13      VAL  30  -6.467  -8.825   9.252
  211   HG21  VAL  30          HG21      VAL  30  -8.444 -11.416  11.064
  212   HG22  VAL  30          HG22      VAL  30  -9.670 -10.418  10.257
  213   HG23  VAL  30          HG23      VAL  30  -9.275 -12.033   9.618
  214    H    GLY  31           H        GLY  31  -8.187  -7.902   6.787
  215    HA2  GLY  31           HA2      GLY  31 -10.947  -7.293   6.515
  216    HA3  GLY  31           HA3      GLY  31 -10.361  -6.618   8.045
  217    H    CYS  32           H        CYS  32 -11.180  -4.769   6.200
  218    HA   CYS  32           HA       CYS  32  -9.032  -4.078   4.396
  219    HB2  CYS  32           HB2      CYS  32 -11.528  -2.587   5.261
  220    HB3  CYS  32           HB3      CYS  32 -10.364  -1.979   4.081
  221    H    VAL  33           H        VAL  33  -7.544  -2.481   4.475
  222    HA   VAL  33           HA       VAL  33  -7.180  -0.865   6.917
  223    HB   VAL  33           HB       VAL  33  -4.836  -1.616   7.141
  224   HG11  VAL  33          HG11      VAL  33  -6.627  -2.622   8.541
  225   HG12  VAL  33          HG12      VAL  33  -6.765  -3.962   7.374
  226   HG13  VAL  33          HG13      VAL  33  -5.252  -3.714   8.267
  227   HG21  VAL  33          HG21      VAL  33  -4.475  -2.470   4.856
  228   HG22  VAL  33          HG22      VAL  33  -4.079  -3.698   6.066
  229   HG23  VAL  33          HG23      VAL  33  -5.612  -3.809   5.167
  230    H    ARG  34           H        ARG  34  -5.326   0.667   6.627
  231    HA   ARG  34           HA       ARG  34  -4.472   1.049   3.816
  232    HB2  ARG  34           HB2      ARG  34  -4.869   3.401   3.869
  233    HB3  ARG  34           HB3      ARG  34  -6.383   2.592   4.286
  234    HG2  ARG  34           HG2      ARG  34  -5.879   2.987   6.720
  235    HG3  ARG  34           HG3      ARG  34  -4.442   3.911   6.237
  236    HD2  ARG  34           HD2      ARG  34  -7.330   4.550   5.520
  237    HD3  ARG  34           HD3      ARG  34  -6.310   5.406   6.695
  238    HE   ARG  34           HE       ARG  34  -5.137   5.313   4.033
  239   HH11  ARG  34          HH11      ARG  34  -7.434   7.038   6.090
  240   HH12  ARG  34          HH12      ARG  34  -7.318   8.524   5.170
  241   HH21  ARG  34          HH21      ARG  34  -5.043   7.230   2.835
  242   HH22  ARG  34          HH22      ARG  34  -5.963   8.633   3.328
  243    H    CYS  35           H        CYS  35  -2.388   2.132   3.665
  244    HA   CYS  35           HA       CYS  35  -0.815   1.786   6.179
  245    HB2  CYS  35           HB2      CYS  35  -0.051   1.029   3.356
  246    HB3  CYS  35           HB3      CYS  35   0.937   0.804   4.797
  247    H    SER  36           H        SER  36   1.643   2.532   5.357
  248    HA   SER  36           HA       SER  36   1.235   5.454   5.067
  249    HB2  SER  36           HB2      SER  36   2.367   4.468   7.069
  250    HB3  SER  36           HB3      SER  36   3.648   3.863   6.006
  251    HG   SER  36           HG       SER  36   4.144   5.909   6.933
  252    H    ASN  37           H        ASN  37   3.056   2.746   3.586
  253    HA   ASN  37           HA       ASN  37   3.620   4.422   1.237
  254    HB2  ASN  37           HB2      ASN  37   5.462   4.796   2.991
  255    HB3  ASN  37           HB3      ASN  37   5.924   3.115   2.745
  256   HD21  ASN  37          HD21      ASN  37   8.009   4.212   2.146
  257   HD22  ASN  37          HD22      ASN  37   8.203   4.719   0.482
  258    H    ALA  38           H        ALA  38   5.284   2.814  -0.200
  259    HA   ALA  38           HA       ALA  38   4.391   0.029  -0.016
  260    HB1  ALA  38           HB1      ALA  38   3.268   0.035  -2.172
  261    HB2  ALA  38           HB2      ALA  38   2.512   1.276  -1.151
  262    HB3  ALA  38           HB3      ALA  38   3.669   1.749  -2.419
  263    H    GLN  39           H        GLN  39   5.320  -1.291  -1.778
  264    HA   GLN  39           HA       GLN  39   7.358  -0.112  -3.496
  265    HB2  GLN  39           HB2      GLN  39   9.169  -1.554  -2.736
  266    HB3  GLN  39           HB3      GLN  39   8.629  -0.505  -1.415
  267    HG2  GLN  39           HG2      GLN  39   7.345  -2.333  -0.426
  268    HG3  GLN  39           HG3      GLN  39   7.722  -3.390  -1.799
  269   HE21  GLN  39          HE21      GLN  39   9.427  -1.367   0.683
  270   HE22  GLN  39          HE22      GLN  39  10.739  -2.503   0.921
  271    H    CYS  40           H        CYS  40   8.183  -1.788  -5.048
  272    HA   CYS  40           HA       CYS  40   6.058  -3.782  -5.591
  273    HB2  CYS  40           HB2      CYS  40   8.341  -2.735  -7.277
  274    HB3  CYS  40           HB3      CYS  40   7.196  -3.977  -7.797
  275    H    THR  41           H        THR  41   6.459  -5.974  -5.781
  276    HA   THR  41           HA       THR  41   9.122  -6.972  -4.898
  277    HB   THR  41           HB       THR  41   7.963  -8.528  -3.362
  278    HG1  THR  41           HG1      THR  41   5.762  -8.102  -2.928
  279   HG21  THR  41          HG21      THR  41   7.223  -5.622  -2.818
  280   HG22  THR  41          HG22      THR  41   7.386  -6.933  -1.622
  281   HG23  THR  41          HG23      THR  41   8.813  -6.353  -2.506
  282    H    GLY  42           H        GLY  42   8.903  -9.544  -4.926
  283    HA2  GLY  42           HA2      GLY  42   8.070 -11.459  -6.094
  284    HA3  GLY  42           HA3      GLY  42   7.489 -10.415  -7.396
  285    H    PHE  43           H        PHE  43   8.866 -12.514  -8.232
  286    HA   PHE  43           HA       PHE  43  11.723 -12.250  -8.253
  287    HB2  PHE  43           HB2      PHE  43  10.583 -14.379  -8.528
  288    HB3  PHE  43           HB3      PHE  43   9.754 -13.788  -9.972
  289    HD1  PHE  43           HD1      PHE  43  13.307 -14.045  -8.729
  290    HD2  PHE  43           HD2      PHE  43  10.549 -14.591 -11.981
  291    HE1  PHE  43           HE1      PHE  43  15.146 -14.908 -10.144
  292    HE2  PHE  43           HE2      PHE  43  12.392 -15.442 -13.402
  293    HZ   PHE  43           HZ       PHE  43  14.689 -15.599 -12.497
  294    H    LEU  44           H        LEU  44   9.201 -10.707 -10.084
  295    HA   LEU  44           HA       LEU  44  11.242  -9.527 -11.898
  296    HB2  LEU  44           HB2      LEU  44   8.508 -10.626 -12.660
  297    HB3  LEU  44           HB3      LEU  44   9.514  -9.641 -13.733
  298    HG   LEU  44           HG       LEU  44  10.377 -12.317 -12.551
  299   HD11  LEU  44          HD11      LEU  44   9.369 -11.614 -15.338
  300   HD12  LEU  44          HD12      LEU  44   9.991 -13.198 -14.817
  301   HD13  LEU  44          HD13      LEU  44   8.484 -12.565 -14.125
  302   HD21  LEU  44          HD21      LEU  44  12.278 -10.829 -13.160
  303   HD22  LEU  44          HD22      LEU  44  12.146 -12.192 -14.281
  304   HD23  LEU  44          HD23      LEU  44  11.562 -10.583 -14.769
  305    H    GLY  45           H        GLY  45   9.496  -8.756  -9.368
  306    HA2  GLY  45           HA2      GLY  45   8.733  -6.731  -8.602
  307    HA3  GLY  45           HA3      GLY  45   9.153  -6.002 -10.160
  308    H    THR  46           H        THR  46   7.105  -8.802 -10.337
  309    HA   THR  46           HA       THR  46   4.985  -7.163 -11.463
  310    HB   THR  46           HB       THR  46   3.995  -9.466 -11.974
  311    HG1  THR  46           HG1      THR  46   5.422 -11.180 -11.675
  312   HG21  THR  46          HG21      THR  46   5.327  -8.171 -13.589
  313   HG22  THR  46          HG22      THR  46   6.826  -8.844 -12.913
  314   HG23  THR  46          HG23      THR  46   5.659  -9.910 -13.735
  315    H    THR  47           H        THR  47   5.551  -7.471  -8.357
  316    HA   THR  47           HA       THR  47   2.665  -7.826  -7.693
  317    HB   THR  47           HB       THR  47   5.024  -8.821  -6.056
  318    HG1  THR  47           HG1      THR  47   4.177 -10.854  -6.622
  319   HG21  THR  47          HG21      THR  47   2.012  -9.020  -5.645
  320   HG22  THR  47          HG22      THR  47   3.219  -9.951  -4.729
  321   HG23  THR  47          HG23      THR  47   3.182  -8.182  -4.598
  322    H    CYS  48           H        CYS  48   1.887  -6.527  -6.015
  323    HA   CYS  48           HA       CYS  48   3.595  -4.193  -5.289
  324    HB2  CYS  48           HB2      CYS  48   1.633  -3.574  -6.533
  325    HB3  CYS  48           HB3      CYS  48   0.609  -4.613  -5.537
  326    H    THR  49           H        THR  49   3.827  -3.621  -3.126
  327    HA   THR  49           HA       THR  49   2.392  -5.191  -1.070
  328    HB   THR  49           HB       THR  49   5.428  -4.998  -1.272
  329    HG1  THR  49           HG1      THR  49   4.529  -6.597  -2.566
  330   HG21  THR  49          HG21      THR  49   3.622  -6.212   0.870
  331   HG22  THR  49          HG22      THR  49   5.380  -6.468   0.754
  332   HG23  THR  49          HG23      THR  49   4.742  -4.844   1.074
  333    H    CYS  50           H        CYS  50   2.198  -4.099   0.920
  334    HA   CYS  50           HA       CYS  50   2.755  -1.195   0.715
  335    HB2  CYS  50           HB2      CYS  50   0.859  -2.688   2.550
  336    HB3  CYS  50           HB3      CYS  50   1.002  -0.940   2.367
  337    H    ILE  51           H        ILE  51   3.227  -0.040   2.771
  338    HA   ILE  51           HA       ILE  51   5.202  -1.582   4.395
  339    HB   ILE  51           HB       ILE  51   5.159   1.354   3.610
  340   HG12  ILE  51          HG12      ILE  51   5.704  -0.056   1.675
  341   HG13  ILE  51          HG13      ILE  51   7.098   0.878   2.209
  342   HG21  ILE  51          HG21      ILE  51   7.187  -0.282   5.178
  343   HG22  ILE  51          HG22      ILE  51   7.463   1.367   4.557
  344   HG23  ILE  51          HG23      ILE  51   6.204   1.080   5.768
  345   HD11  ILE  51          HD11      ILE  51   8.032  -1.096   3.343
  346   HD12  ILE  51          HD12      ILE  51   6.602  -2.055   2.871
  347   HD13  ILE  51          HD13      ILE  51   7.705  -1.430   1.627
  348    H    ASN  52           H        ASN  52   5.028  -1.513   6.576
  349    HA   ASN  52           HA       ASN  52   2.575  -0.596   7.722
  350    HB2  ASN  52           HB2      ASN  52   3.549  -1.473   9.813
  351    HB3  ASN  52           HB3      ASN  52   3.767  -2.605   8.475
  352   HD21  ASN  52          HD21      ASN  52   5.366  -0.405  10.718
  353   HD22  ASN  52          HD22      ASN  52   7.004  -0.894  10.327
  354    HA   PRO  53           HA       PRO  53   2.209  -0.036  10.337
  355    HB2  PRO  53           HB2      PRO  53   0.850   2.619  10.515
  356    HB3  PRO  53           HB3      PRO  53   1.195   1.440  11.820
  357    HG2  PRO  53           HG2      PRO  53   2.662   3.712  11.599
  358    HG3  PRO  53           HG3      PRO  53   3.472   2.141  11.946
  359    HD2  PRO  53           HD2      PRO  53   3.133   3.525   9.262
  360    HD3  PRO  53           HD3      PRO  53   4.629   2.865   9.993
  361    H    CYS  54           H        CYS  54  -0.102  -0.484  10.087
  362    HA   CYS  54           HA       CYS  54  -1.404   0.530   7.631
  363    HB2  CYS  54           HB2      CYS  54  -0.872  -2.372   8.322
  364    HB3  CYS  54           HB3      CYS  54  -2.066  -1.871   7.131
  365    HA   PRO  55           HA       PRO  55  -4.145   0.235  11.444
  366    HB2  PRO  55           HB2      PRO  55  -5.205   2.752  11.251
  367    HB3  PRO  55           HB3      PRO  55  -3.640   2.409  12.054
  368    HG2  PRO  55           HG2      PRO  55  -4.102   3.302   9.183
  369    HG3  PRO  55           HG3      PRO  55  -3.005   4.048  10.400
  370    HD2  PRO  55           HD2      PRO  55  -2.018   2.291   8.617
  371    HD3  PRO  55           HD3      PRO  55  -1.524   2.171  10.326
  372    H    ARG  56           H        ARG  56  -6.550   0.571  11.526
  373    HA   ARG  56           HA       ARG  56  -7.766  -0.678   9.238
  374    HB2  ARG  56           HB2      ARG  56  -9.052   0.653  11.656
  375    HB3  ARG  56           HB3      ARG  56  -9.848  -0.450  10.524
  376    HG2  ARG  56           HG2      ARG  56  -7.624  -1.098  12.487
  377    HG3  ARG  56           HG3      ARG  56  -9.304  -1.662  12.518
  378    HD2  ARG  56           HD2      ARG  56  -7.140  -2.383  10.511
  379    HD3  ARG  56           HD3      ARG  56  -7.883  -3.456  11.704
  380    HE   ARG  56           HE       ARG  56  -8.972  -2.679   9.105
  381   HH11  ARG  56          HH11      ARG  56  -9.762  -3.968  12.307
  382   HH12  ARG  56          HH12      ARG  56 -11.263  -4.681  11.772
  383   HH21  ARG  56          HH21      ARG  56 -10.924  -3.578   8.449
  384   HH22  ARG  56          HH22      ARG  56 -11.921  -4.468   9.580
  385    H    CYS  57           H        CYS  57  -9.745   0.130   8.192
  386    HA   CYS  57           HA       CYS  57 -10.104   3.030   7.993
  387    HB2  CYS  57           HB2      CYS  57  -9.683   3.102   5.578
  388    HB3  CYS  57           HB3      CYS  57  -8.237   2.668   6.490
  Start of MODEL    2
    1    HA   PCA   1           HA       PCA   1 -16.797  -2.518  -0.109
    2    HB2  PCA   1           HB2      PCA   1 -18.778  -0.255   0.307
    3    HB3  PCA   1           HB3      PCA   1 -18.700  -1.426  -1.052
    4    HG2  PCA   1           HG2      PCA   1 -19.591  -3.178   0.310
    5    HG3  PCA   1           HG3      PCA   1 -20.407  -1.775   1.082
    6    H    ASN   2           H        ASN   2 -16.006  -0.385   2.390
    7    HA   ASN   2           HA       ASN   2 -14.987   1.793   0.748
    8    HB2  ASN   2           HB2      ASN   2 -14.226   2.725   2.858
    9    HB3  ASN   2           HB3      ASN   2 -15.894   2.161   3.011
   10   HD21  ASN   2          HD21      ASN   2 -12.498   1.401   3.761
   11   HD22  ASN   2          HD22      ASN   2 -12.841   0.349   5.124
   12    H    CYS   3           H        CYS   3 -14.001  -1.171   0.625
   13    HA   CYS   3           HA       CYS   3 -11.136  -0.516   0.382
   14    HB2  CYS   3           HB2      CYS   3 -10.645  -2.655   1.691
   15    HB3  CYS   3           HB3      CYS   3 -11.014  -1.181   2.581
   16    HA   PRO   4           HA       PRO   4 -12.470  -3.389  -2.956
   17    HB2  PRO   4           HB2      PRO   4 -11.212  -2.081  -4.991
   18    HB3  PRO   4           HB3      PRO   4 -12.800  -1.539  -4.353
   19    HG2  PRO   4           HG2      PRO   4 -10.040  -0.496  -3.634
   20    HG3  PRO   4           HG3      PRO   4 -11.501   0.450  -4.093
   21    HD2  PRO   4           HD2      PRO   4 -10.793   0.046  -1.494
   22    HD3  PRO   4           HD3      PRO   4 -12.512   0.091  -1.994
   23    H    THR   5           H        THR   5 -10.837  -4.393  -4.654
   24    HA   THR   5           HA       THR   5  -8.194  -4.795  -3.308
   25    HB   THR   5           HB       THR   5  -9.845  -6.926  -4.706
   26    HG1  THR   5           HG1      THR   5 -10.289  -7.647  -2.620
   27   HG21  THR   5          HG21      THR   5  -8.237  -8.448  -3.575
   28   HG22  THR   5          HG22      THR   5  -7.408  -7.340  -4.694
   29   HG23  THR   5          HG23      THR   5  -7.356  -7.043  -2.943
   30    H    ARG   6           H        ARG   6  -6.498  -4.439  -4.581
   31    HA   ARG   6           HA       ARG   6  -6.679  -4.968  -7.495
   32    HB2  ARG   6           HB2      ARG   6  -5.603  -2.413  -6.219
   33    HB3  ARG   6           HB3      ARG   6  -5.410  -2.855  -7.917
   34    HG2  ARG   6           HG2      ARG   6  -8.092  -2.410  -6.538
   35    HG3  ARG   6           HG3      ARG   6  -7.248  -1.205  -7.508
   36    HD2  ARG   6           HD2      ARG   6  -8.175  -3.923  -8.526
   37    HD3  ARG   6           HD3      ARG   6  -9.012  -2.388  -8.791
   38    HE   ARG   6           HE       ARG   6  -6.481  -1.891  -9.738
   39   HH11  ARG   6          HH11      ARG   6  -8.901  -4.380 -10.384
   40   HH12  ARG   6          HH12      ARG   6  -8.390  -4.616 -12.043
   41   HH21  ARG   6          HH21      ARG   6  -5.831  -2.219 -11.908
   42   HH22  ARG   6          HH22      ARG   6  -6.655  -3.401 -12.898
   43    H    ARG   7           H        ARG   7  -4.885  -5.955  -8.254
   44    HA   ARG   7           HA       ARG   7  -2.406  -5.972  -6.610
   45    HB2  ARG   7           HB2      ARG   7  -3.903  -8.406  -7.642
   46    HB3  ARG   7           HB3      ARG   7  -2.258  -8.434  -6.979
   47    HG2  ARG   7           HG2      ARG   7  -4.753  -7.549  -5.465
   48    HG3  ARG   7           HG3      ARG   7  -3.942  -9.114  -5.313
   49    HD2  ARG   7           HD2      ARG   7  -1.856  -7.929  -4.584
   50    HD3  ARG   7           HD3      ARG   7  -2.722  -6.398  -4.630
   51    HE   ARG   7           HE       ARG   7  -3.154  -8.640  -2.747
   52   HH11  ARG   7          HH11      ARG   7  -3.979  -5.332  -3.727
   53   HH12  ARG   7          HH12      ARG   7  -4.773  -4.962  -2.216
   54   HH21  ARG   7          HH21      ARG   7  -4.213  -8.122  -0.801
   55   HH22  ARG   7          HH22      ARG   7  -4.907  -6.539  -0.563
   56    H    GLY   8           H        GLY   8  -0.549  -6.842  -7.901
   57    HA2  GLY   8           HA2      GLY   8   0.719  -6.976  -9.815
   58    HA3  GLY   8           HA3      GLY   8  -0.771  -7.116 -10.764
   59    H    LEU   9           H        LEU   9  -0.592  -4.359  -8.656
   60    HA   LEU   9           HA       LEU   9  -0.954  -2.489 -10.749
   61    HB2  LEU   9           HB2      LEU   9   0.027  -2.198  -7.876
   62    HB3  LEU   9           HB3      LEU   9  -0.415  -0.829  -8.909
   63    HG   LEU   9           HG       LEU   9  -2.322  -3.117  -8.252
   64   HD11  LEU   9          HD11      LEU   9  -3.353  -1.548  -6.663
   65   HD12  LEU   9          HD12      LEU   9  -1.675  -1.918  -6.205
   66   HD13  LEU   9          HD13      LEU   9  -2.065  -0.363  -6.985
   67   HD21  LEU   9          HD21      LEU   9  -4.026  -1.460  -8.993
   68   HD22  LEU   9          HD22      LEU   9  -2.729  -0.320  -9.403
   69   HD23  LEU   9          HD23      LEU   9  -2.891  -1.848 -10.299
   70    H    CYS  10           H        CYS  10   2.003  -3.865  -9.418
   71    HA   CYS  10           HA       CYS  10   3.730  -1.750 -10.388
   72    HB2  CYS  10           HB2      CYS  10   4.225  -4.565  -9.369
   73    HB3  CYS  10           HB3      CYS  10   5.511  -3.457  -9.839
   74    H    VAL  11           H        VAL  11   1.887  -3.865 -12.135
   75    HA   VAL  11           HA       VAL  11   3.938  -4.035 -14.297
   76    HB   VAL  11           HB       VAL  11   1.700  -6.018 -13.697
   77   HG11  VAL  11          HG11      VAL  11   2.272  -5.931 -16.089
   78   HG12  VAL  11          HG12      VAL  11   4.003  -6.062 -15.695
   79   HG13  VAL  11          HG13      VAL  11   2.901  -7.419 -15.373
   80   HG21  VAL  11          HG21      VAL  11   3.548  -7.554 -13.075
   81   HG22  VAL  11          HG22      VAL  11   4.709  -6.214 -13.256
   82   HG23  VAL  11          HG23      VAL  11   3.460  -6.154 -11.991
   83    H    THR  12           H        THR  12   0.668  -3.134 -13.320
   84    HA   THR  12           HA       THR  12  -0.118  -2.756 -16.152
   85    HB   THR  12           HB       THR  12  -2.370  -2.372 -15.195
   86    HG1  THR  12           HG1      THR  12  -2.616  -2.813 -12.966
   87   HG21  THR  12          HG21      THR  12  -1.023  -4.916 -14.189
   88   HG22  THR  12          HG22      THR  12  -2.767  -4.683 -14.472
   89   HG23  THR  12          HG23      THR  12  -1.629  -4.652 -15.839
   90    H    SER  13           H        SER  13   0.956  -0.925 -13.361
   91    HA   SER  13           HA       SER  13   0.592   1.572 -14.920
   92    HB2  SER  13           HB2      SER  13  -0.519   0.928 -12.173
   93    HB3  SER  13           HB3      SER  13  -0.199   2.589 -12.704
   94    HG   SER  13           HG       SER  13  -1.608   2.206 -14.466
   95    H    GLY  14           H        GLY  14   2.253  -0.298 -12.443
   96    HA2  GLY  14           HA2      GLY  14   4.599   0.001 -12.091
   97    HA3  GLY  14           HA3      GLY  14   4.436   1.729 -12.419
   98    H    LEU  15           H        LEU  15   5.794   1.485 -10.302
   99    HA   LEU  15           HA       LEU  15   4.624   0.739  -7.853
  100    HB2  LEU  15           HB2      LEU  15   7.007   1.023  -8.150
  101    HB3  LEU  15           HB3      LEU  15   6.802   2.727  -8.571
  102    HG   LEU  15           HG       LEU  15   6.017   3.234  -6.297
  103   HD11  LEU  15          HD11      LEU  15   5.004   1.041  -5.701
  104   HD12  LEU  15          HD12      LEU  15   6.624   0.299  -5.723
  105   HD13  LEU  15          HD13      LEU  15   6.218   1.536  -4.508
  106   HD21  LEU  15          HD21      LEU  15   8.169   2.855  -5.152
  107   HD22  LEU  15          HD22      LEU  15   8.615   1.655  -6.384
  108   HD23  LEU  15          HD23      LEU  15   8.421   3.364  -6.836
  109    H    THR  16           H        THR  16   4.244   3.727  -9.741
  110    HA   THR  16           HA       THR  16   3.408   5.442  -7.647
  111    HB   THR  16           HB       THR  16   2.463   5.431 -10.537
  112    HG1  THR  16           HG1      THR  16   4.294   6.744 -10.855
  113   HG21  THR  16          HG21      THR  16   2.351   7.889 -10.183
  114   HG22  THR  16          HG22      THR  16   1.255   7.024  -9.089
  115   HG23  THR  16          HG23      THR  16   2.799   7.660  -8.478
  116    H    ALA  17           H        ALA  17   1.624   2.960  -9.529
  117    HA   ALA  17           HA       ALA  17  -0.938   3.806  -8.388
  118    HB1  ALA  17           HB1      ALA  17  -0.811   2.901 -10.659
  119    HB2  ALA  17           HB2      ALA  17  -0.134   1.376 -10.030
  120    HB3  ALA  17           HB3      ALA  17  -1.802   1.846  -9.624
  121    H    CYS  18           H        CYS  18   1.563   1.349  -7.770
  122    HA   CYS  18           HA       CYS  18   0.032  -0.185  -5.884
  123    HB2  CYS  18           HB2      CYS  18   2.024  -1.063  -6.967
  124    HB3  CYS  18           HB3      CYS  18   3.005   0.256  -6.320
  125    H    ARG  19           H        ARG  19   1.936   2.813  -5.682
  126    HA   ARG  19           HA       ARG  19   1.870   2.854  -2.770
  127    HB2  ARG  19           HB2      ARG  19   3.650   3.880  -4.262
  128    HB3  ARG  19           HB3      ARG  19   2.471   5.133  -4.695
  129    HG2  ARG  19           HG2      ARG  19   2.246   5.739  -2.296
  130    HG3  ARG  19           HG3      ARG  19   3.393   4.448  -1.866
  131    HD2  ARG  19           HD2      ARG  19   5.134   5.556  -3.241
  132    HD3  ARG  19           HD3      ARG  19   3.995   6.851  -3.634
  133    HE   ARG  19           HE       ARG  19   5.293   6.319  -1.021
  134   HH11  ARG  19          HH11      ARG  19   3.042   8.298  -2.906
  135   HH12  ARG  19          HH12      ARG  19   3.027   9.602  -1.745
  136   HH21  ARG  19          HH21      ARG  19   5.263   8.034   0.474
  137   HH22  ARG  19          HH22      ARG  19   4.291   9.455   0.168
  138    H    ASN  20           H        ASN  20  -0.004   4.303  -5.438
  139    HA   ASN  20           HA       ASN  20  -1.605   5.974  -3.719
  140    HB2  ASN  20           HB2      ASN  20  -2.048   4.880  -6.522
  141    HB3  ASN  20           HB3      ASN  20  -3.116   6.057  -5.737
  142   HD21  ASN  20          HD21      ASN  20  -2.026   6.788  -8.103
  143   HD22  ASN  20          HD22      ASN  20  -0.752   7.972  -7.870
  144    H    HIS  21           H        HIS  21  -1.692   2.548  -4.520
  145    HA   HIS  21           HA       HIS  21  -4.448   2.204  -3.603
  146    HB2  HIS  21           HB2      HIS  21  -3.411   0.807  -5.353
  147    HB3  HIS  21           HB3      HIS  21  -2.227   0.211  -4.187
  148    HD1  HIS  21           HD1      HIS  21  -6.097   0.143  -4.610
  149    HD2  HIS  21           HD2      HIS  21  -2.889  -1.935  -2.871
  150    HE1  HIS  21           HE1      HIS  21  -7.063  -2.014  -3.655
  151    H    CYS  22           H        CYS  22  -1.149   1.813  -2.283
  152    HA   CYS  22           HA       CYS  22  -2.077   0.712   0.233
  153    HB2  CYS  22           HB2      CYS  22   0.537   1.958  -0.653
  154    HB3  CYS  22           HB3      CYS  22   0.296   1.228   0.935
  155    H    ARG  23           H        ARG  23  -1.658   3.964  -1.065
  156    HA   ARG  23           HA       ARG  23  -1.788   5.236   1.571
  157    HB2  ARG  23           HB2      ARG  23  -1.726   6.244  -1.296
  158    HB3  ARG  23           HB3      ARG  23  -1.939   7.342   0.074
  159    HG2  ARG  23           HG2      ARG  23   0.386   5.416   0.147
  160    HG3  ARG  23           HG3      ARG  23   0.474   6.825  -0.914
  161    HD2  ARG  23           HD2      ARG  23   1.465   7.341   1.252
  162    HD3  ARG  23           HD3      ARG  23   0.029   8.333   0.948
  163    HE   ARG  23           HE       ARG  23  -0.268   5.856   2.564
  164   HH11  ARG  23          HH11      ARG  23  -0.155   9.391   2.448
  165   HH12  ARG  23          HH12      ARG  23  -0.907   9.580   4.014
  166   HH21  ARG  23          HH21      ARG  23  -1.215   6.139   4.610
  167   HH22  ARG  23          HH22      ARG  23  -1.485   7.747   5.245
  168    H    SER  24           H        SER  24  -4.019   3.577  -0.054
  169    HA   SER  24           HA       SER  24  -6.221   5.243   1.044
  170    HB2  SER  24           HB2      SER  24  -6.091   5.476  -1.452
  171    HB3  SER  24           HB3      SER  24  -6.300   3.715  -1.585
  172    HG   SER  24           HG       SER  24  -8.280   4.870  -1.748
  173    H    CYS  25           H        CYS  25  -8.257   3.763   1.243
  174    HA   CYS  25           HA       CYS  25  -7.357   1.497   2.821
  175    HB2  CYS  25           HB2      CYS  25 -10.185   2.358   2.131
  176    HB3  CYS  25           HB3      CYS  25  -9.696   1.214   3.383
  177    H    HIS  26           H        HIS  26  -7.299  -0.619   2.301
  178    HA   HIS  26           HA       HIS  26  -8.620  -1.549  -0.177
  179    HB2  HIS  26           HB2      HIS  26  -6.440  -2.581  -0.871
  180    HB3  HIS  26           HB3      HIS  26  -6.464  -0.806  -0.945
  181    HD1  HIS  26           HD1      HIS  26  -4.760   0.477   0.583
  182    HD2  HIS  26           HD2      HIS  26  -5.017  -3.671   1.271
  183    HE1  HIS  26           HE1      HIS  26  -2.864  -0.111   2.219
  184    HE2  HIS  26           HE2      HIS  26  -3.049  -2.644   2.633
  185    H    ARG  27           H        ARG  27  -8.206  -3.985  -0.405
  186    HA   ARG  27           HA       ARG  27  -9.043  -5.175   2.101
  187    HB2  ARG  27           HB2      ARG  27  -9.926  -5.663  -0.263
  188    HB3  ARG  27           HB3      ARG  27  -8.430  -6.557  -0.535
  189    HG2  ARG  27           HG2      ARG  27 -10.224  -8.091   0.120
  190    HG3  ARG  27           HG3      ARG  27  -8.989  -8.053   1.385
  191    HD2  ARG  27           HD2      ARG  27 -11.308  -7.980   2.284
  192    HD3  ARG  27           HD3      ARG  27 -10.380  -6.543   2.736
  193    HE   ARG  27           HE       ARG  27 -11.527  -5.484   0.667
  194   HH11  ARG  27          HH11      ARG  27 -13.070  -7.886   2.760
  195   HH12  ARG  27          HH12      ARG  27 -14.683  -7.303   2.416
  196   HH21  ARG  27          HH21      ARG  27 -13.601  -4.755   0.256
  197   HH22  ARG  27          HH22      ARG  27 -14.987  -5.537   0.982
  198    H    GLY  28           H        GLY  28  -7.940  -6.516   3.451
  199    HA2  GLY  28           HA2      GLY  28  -5.074  -7.094   2.820
  200    HA3  GLY  28           HA3      GLY  28  -5.726  -6.808   4.437
  201    H    ASP  29           H        ASP  29  -4.513  -8.963   4.682
  202    HA   ASP  29           HA       ASP  29  -5.931 -11.301   3.609
  203    HB2  ASP  29           HB2      ASP  29  -3.470 -10.993   5.367
  204    HB3  ASP  29           HB3      ASP  29  -4.111 -12.538   4.776
  205    H    VAL  30           H        VAL  30  -6.193  -9.322   6.395
  206    HA   VAL  30           HA       VAL  30  -7.682 -11.483   7.815
  207    HB   VAL  30           HB       VAL  30  -5.879  -9.369   9.060
  208   HG11  VAL  30          HG11      VAL  30  -7.474 -11.660  10.285
  209   HG12  VAL  30          HG12      VAL  30  -6.263 -10.691  11.149
  210   HG13  VAL  30          HG13      VAL  30  -7.741  -9.915  10.546
  211   HG21  VAL  30          HG21      VAL  30  -5.548 -12.394   8.787
  212   HG22  VAL  30          HG22      VAL  30  -4.575 -11.157   7.957
  213   HG23  VAL  30          HG23      VAL  30  -4.482 -11.321   9.718
  214    H    GLY  31           H        GLY  31  -7.613  -8.275   6.534
  215    HA2  GLY  31           HA2      GLY  31 -10.333  -7.746   6.867
  216    HA3  GLY  31           HA3      GLY  31  -9.519  -6.997   8.253
  217    H    CYS  32           H        CYS  32 -10.639  -5.125   6.805
  218    HA   CYS  32           HA       CYS  32  -8.928  -4.291   4.588
  219    HB2  CYS  32           HB2      CYS  32 -11.315  -2.999   5.932
  220    HB3  CYS  32           HB3      CYS  32 -10.412  -2.304   4.574
  221    H    VAL  33           H        VAL  33  -7.487  -2.660   4.520
  222    HA   VAL  33           HA       VAL  33  -6.831  -1.194   7.008
  223    HB   VAL  33           HB       VAL  33  -4.438  -1.832   6.780
  224   HG11  VAL  33          HG11      VAL  33  -6.303  -4.204   7.190
  225   HG12  VAL  33          HG12      VAL  33  -4.617  -4.080   7.736
  226   HG13  VAL  33          HG13      VAL  33  -5.851  -2.997   8.416
  227   HG21  VAL  33          HG21      VAL  33  -4.477  -2.496   4.403
  228   HG22  VAL  33          HG22      VAL  33  -3.815  -3.786   5.428
  229   HG23  VAL  33          HG23      VAL  33  -5.474  -3.916   4.807
  230    H    ARG  34           H        ARG  34  -5.087   0.362   6.666
  231    HA   ARG  34           HA       ARG  34  -4.649   1.315   3.895
  232    HB2  ARG  34           HB2      ARG  34  -5.044   3.665   4.735
  233    HB3  ARG  34           HB3      ARG  34  -6.511   2.663   4.666
  234    HG2  ARG  34           HG2      ARG  34  -6.332   2.204   7.088
  235    HG3  ARG  34           HG3      ARG  34  -4.878   3.219   7.174
  236    HD2  ARG  34           HD2      ARG  34  -6.144   5.188   6.565
  237    HD3  ARG  34           HD3      ARG  34  -7.571   4.211   6.176
  238    HE   ARG  34           HE       ARG  34  -7.196   3.554   8.771
  239   HH11  ARG  34          HH11      ARG  34  -7.286   6.698   7.161
  240   HH12  ARG  34          HH12      ARG  34  -7.895   7.533   8.575
  241   HH21  ARG  34          HH21      ARG  34  -7.982   4.658  10.588
  242   HH22  ARG  34          HH22      ARG  34  -8.285   6.375  10.515
  243    H    CYS  35           H        CYS  35  -2.547   2.318   3.688
  244    HA   CYS  35           HA       CYS  35  -0.831   1.891   6.102
  245    HB2  CYS  35           HB2      CYS  35  -0.204   1.167   3.238
  246    HB3  CYS  35           HB3      CYS  35   0.841   0.930   4.630
  247    H    SER  36           H        SER  36   1.562   2.629   5.246
  248    HA   SER  36           HA       SER  36   1.166   5.558   4.972
  249    HB2  SER  36           HB2      SER  36   2.258   4.576   6.991
  250    HB3  SER  36           HB3      SER  36   3.567   3.978   5.953
  251    HG   SER  36           HG       SER  36   4.046   6.020   6.875
  252    H    ASN  37           H        ASN  37   2.968   2.841   3.495
  253    HA   ASN  37           HA       ASN  37   3.583   4.497   1.151
  254    HB2  ASN  37           HB2      ASN  37   5.403   4.899   2.924
  255    HB3  ASN  37           HB3      ASN  37   5.855   3.210   2.735
  256   HD21  ASN  37          HD21      ASN  37   7.966   4.287   2.165
  257   HD22  ASN  37          HD22      ASN  37   8.205   4.747   0.492
  258    H    ALA  38           H        ALA  38   5.253   2.855  -0.255
  259    HA   ALA  38           HA       ALA  38   4.353   0.079  -0.005
  260    HB1  ALA  38           HB1      ALA  38   2.496   1.278  -1.203
  261    HB2  ALA  38           HB2      ALA  38   3.671   1.743  -2.461
  262    HB3  ALA  38           HB3      ALA  38   3.284   0.028  -2.193
  263    H    GLN  39           H        GLN  39   5.266  -1.294  -1.729
  264    HA   GLN  39           HA       GLN  39   7.366  -0.208  -3.436
  265    HB2  GLN  39           HB2      GLN  39   9.110  -1.706  -2.610
  266    HB3  GLN  39           HB3      GLN  39   8.596  -0.593  -1.328
  267    HG2  GLN  39           HG2      GLN  39   7.247  -2.330  -0.287
  268    HG3  GLN  39           HG3      GLN  39   7.560  -3.445  -1.632
  269   HE21  GLN  39          HE21      GLN  39   9.420  -1.444   0.757
  270   HE22  GLN  39          HE22      GLN  39  10.647  -2.668   1.029
  271    H    CYS  40           H        CYS  40   8.209  -1.955  -4.900
  272    HA   CYS  40           HA       CYS  40   6.060  -3.914  -5.458
  273    HB2  CYS  40           HB2      CYS  40   8.443  -2.999  -7.092
  274    HB3  CYS  40           HB3      CYS  40   7.239  -4.174  -7.624
  275    H    THR  41           H        THR  41   6.429  -6.126  -5.565
  276    HA   THR  41           HA       THR  41   9.038  -7.112  -4.511
  277    HB   THR  41           HB       THR  41   7.790  -8.595  -2.971
  278    HG1  THR  41           HG1      THR  41   5.592  -8.136  -2.646
  279   HG21  THR  41          HG21      THR  41   7.084  -5.660  -2.584
  280   HG22  THR  41          HG22      THR  41   7.181  -6.904  -1.318
  281   HG23  THR  41          HG23      THR  41   8.655  -6.396  -2.183
  282    H    GLY  42           H        GLY  42   8.822  -9.680  -4.440
  283    HA2  GLY  42           HA2      GLY  42   8.496 -11.663  -5.594
  284    HA3  GLY  42           HA3      GLY  42   7.294 -10.867  -6.613
  285    H    PHE  43           H        PHE  43   8.735 -12.488  -8.039
  286    HA   PHE  43           HA       PHE  43  11.301 -11.593  -8.905
  287    HB2  PHE  43           HB2      PHE  43  10.412 -13.874  -9.221
  288    HB3  PHE  43           HB3      PHE  43   9.201 -13.246 -10.342
  289    HD1  PHE  43           HD1      PHE  43  12.935 -12.920  -9.906
  290    HD2  PHE  43           HD2      PHE  43   9.647 -13.688 -12.568
  291    HE1  PHE  43           HE1      PHE  43  14.525 -13.222 -11.782
  292    HE2  PHE  43           HE2      PHE  43  11.231 -13.984 -14.445
  293    HZ   PHE  43           HZ       PHE  43  13.679 -13.757 -14.058
  294    H    LEU  44           H        LEU  44  11.932 -10.187 -10.482
  295    HA   LEU  44           HA       LEU  44  11.839  -8.276 -11.673
  296    HB2  LEU  44           HB2      LEU  44   9.490  -9.695 -12.981
  297    HB3  LEU  44           HB3      LEU  44  10.366  -8.316 -13.663
  298    HG   LEU  44           HG       LEU  44  11.590 -11.034 -13.009
  299   HD11  LEU  44          HD11      LEU  44  10.859  -9.729 -15.666
  300   HD12  LEU  44          HD12      LEU  44  11.704 -11.284 -15.464
  301   HD13  LEU  44          HD13      LEU  44  10.029 -11.108 -14.910
  302   HD21  LEU  44          HD21      LEU  44  13.259  -9.241 -12.825
  303   HD22  LEU  44          HD22      LEU  44  13.525 -10.164 -14.316
  304   HD23  LEU  44          HD23      LEU  44  12.740  -8.572 -14.392
  305    H    GLY  45           H        GLY  45   9.960  -8.469  -9.181
  306    HA2  GLY  45           HA2      GLY  45   8.791  -6.868  -8.040
  307    HA3  GLY  45           HA3      GLY  45   9.155  -5.725  -9.348
  308    H    THR  46           H        THR  46   7.425  -8.765 -10.000
  309    HA   THR  46           HA       THR  46   5.321  -7.239 -11.239
  310    HB   THR  46           HB       THR  46   4.377  -9.469 -11.799
  311    HG1  THR  46           HG1      THR  46   5.610 -11.276 -11.180
  312   HG21  THR  46          HG21      THR  46   7.371  -9.152 -12.280
  313   HG22  THR  46          HG22      THR  46   6.278 -10.209 -13.203
  314   HG23  THR  46          HG23      THR  46   6.063  -8.446 -13.255
  315    H    THR  47           H        THR  47   5.699  -7.739  -8.008
  316    HA   THR  47           HA       THR  47   2.755  -7.982  -7.563
  317    HB   THR  47           HB       THR  47   5.006  -8.929  -5.755
  318    HG1  THR  47           HG1      THR  47   4.715 -10.196  -7.626
  319   HG21  THR  47          HG21      THR  47   3.130 -10.087  -4.564
  320   HG22  THR  47          HG22      THR  47   3.038  -8.325  -4.447
  321   HG23  THR  47          HG23      THR  47   1.974  -9.200  -5.584
  322    H    CYS  48           H        CYS  48   1.903  -6.755  -5.768
  323    HA   CYS  48           HA       CYS  48   3.524  -4.330  -5.129
  324    HB2  CYS  48           HB2      CYS  48   1.603  -3.787  -6.487
  325    HB3  CYS  48           HB3      CYS  48   0.550  -4.785  -5.475
  326    H    THR  49           H        THR  49   3.758  -3.726  -3.021
  327    HA   THR  49           HA       THR  49   2.265  -5.173  -0.908
  328    HB   THR  49           HB       THR  49   5.303  -5.001  -1.106
  329    HG1  THR  49           HG1      THR  49   4.382  -6.662  -2.328
  330   HG21  THR  49          HG21      THR  49   4.618  -4.735   1.220
  331   HG22  THR  49          HG22      THR  49   3.486  -6.108   1.078
  332   HG23  THR  49          HG23      THR  49   5.245  -6.377   0.984
  333    H    CYS  50           H        CYS  50   2.051  -3.993   1.013
  334    HA   CYS  50           HA       CYS  50   2.694  -1.120   0.730
  335    HB2  CYS  50           HB2      CYS  50   0.788  -2.507   2.633
  336    HB3  CYS  50           HB3      CYS  50   0.985  -0.768   2.406
  337    H    ILE  51           H        ILE  51   3.205   0.068   2.789
  338    HA   ILE  51           HA       ILE  51   5.206  -1.473   4.373
  339    HB   ILE  51           HB       ILE  51   5.090   1.464   3.617
  340   HG12  ILE  51          HG12      ILE  51   5.669   0.053   1.692
  341   HG13  ILE  51          HG13      ILE  51   7.038   1.029   2.217
  342   HG21  ILE  51          HG21      ILE  51   6.158   1.250   5.759
  343   HG22  ILE  51          HG22      ILE  51   7.150  -0.116   5.204
  344   HG23  ILE  51          HG23      ILE  51   7.421   1.516   4.546
  345   HD11  ILE  51          HD11      ILE  51   7.722  -1.260   1.639
  346   HD12  ILE  51          HD12      ILE  51   8.014  -0.942   3.359
  347   HD13  ILE  51          HD13      ILE  51   6.615  -1.930   2.851
  348    H    ASN  52           H        ASN  52   5.310  -1.169   6.603
  349    HA   ASN  52           HA       ASN  52   2.804  -0.595   7.871
  350    HB2  ASN  52           HB2      ASN  52   4.021  -1.136   9.942
  351    HB3  ASN  52           HB3      ASN  52   4.347  -2.322   8.673
  352   HD21  ASN  52          HD21      ASN  52   6.453  -2.536   7.839
  353   HD22  ASN  52          HD22      ASN  52   7.818  -1.662   8.507
  354    HA   PRO  53           HA       PRO  53   2.314  -0.026  10.181
  355    HB2  PRO  53           HB2      PRO  53   0.522   1.752  11.173
  356    HB3  PRO  53           HB3      PRO  53   2.185   1.623  11.838
  357    HG2  PRO  53           HG2      PRO  53   1.163   3.585   9.754
  358    HG3  PRO  53           HG3      PRO  53   2.071   3.949  11.262
  359    HD2  PRO  53           HD2      PRO  53   3.333   3.705   8.855
  360    HD3  PRO  53           HD3      PRO  53   4.080   3.094  10.366
  361    H    CYS  54           H        CYS  54   0.062  -0.661   9.944
  362    HA   CYS  54           HA       CYS  54  -1.357   0.429   7.572
  363    HB2  CYS  54           HB2      CYS  54  -0.618  -2.448   8.119
  364    HB3  CYS  54           HB3      CYS  54  -1.924  -1.993   7.024
  365    HA   PRO  55           HA       PRO  55  -4.000  -0.214  11.420
  366    HB2  PRO  55           HB2      PRO  55  -5.223   2.245  11.366
  367    HB3  PRO  55           HB3      PRO  55  -3.638   1.950  12.149
  368    HG2  PRO  55           HG2      PRO  55  -4.161   2.990   9.344
  369    HG3  PRO  55           HG3      PRO  55  -3.095   3.701  10.607
  370    HD2  PRO  55           HD2      PRO  55  -2.042   2.122   8.700
  371    HD3  PRO  55           HD3      PRO  55  -1.521   1.923  10.397
  372    H    ARG  56           H        ARG  56  -6.417  -0.073  11.551
  373    HA   ARG  56           HA       ARG  56  -7.561  -1.263   9.182
  374    HB2  ARG  56           HB2      ARG  56  -8.773  -0.383  11.829
  375    HB3  ARG  56           HB3      ARG  56  -9.639  -1.308  10.592
  376    HG2  ARG  56           HG2      ARG  56  -7.103  -2.242  12.002
  377    HG3  ARG  56           HG3      ARG  56  -8.754  -2.721  12.427
  378    HD2  ARG  56           HD2      ARG  56  -9.060  -3.656  10.141
  379    HD3  ARG  56           HD3      ARG  56  -7.387  -3.230   9.757
  380    HE   ARG  56           HE       ARG  56  -6.593  -4.925  11.185
  381   HH11  ARG  56          HH11      ARG  56 -10.126  -4.769  11.214
  382   HH12  ARG  56          HH12      ARG  56 -10.307  -6.323  11.994
  383   HH21  ARG  56          HH21      ARG  56  -6.854  -6.943  12.199
  384   HH22  ARG  56          HH22      ARG  56  -8.455  -7.558  12.532
  385    H    CYS  57           H        CYS  57  -9.620  -0.618   8.261
  386    HA   CYS  57           HA       CYS  57 -10.363   2.221   8.398
  387    HB2  CYS  57           HB2      CYS  57  -8.601   2.190   6.703
  388    HB3  CYS  57           HB3      CYS  57  -9.422   0.889   5.837
  Start of MODEL    3
    1    HA   PCA   1           HA       PCA   1 -18.318  -1.162   0.231
    2    HB2  PCA   1           HB2      PCA   1 -19.295   0.600   2.095
    3    HB3  PCA   1           HB3      PCA   1 -19.817  -1.122   2.050
    4    HG2  PCA   1           HG2      PCA   1 -18.995  -1.062   4.261
    5    HG3  PCA   1           HG3      PCA   1 -17.739   0.162   3.850
    6    H    ASN   2           H        ASN   2 -15.438  -0.399   1.883
    7    HA   ASN   2           HA       ASN   2 -15.107   2.080   0.307
    8    HB2  ASN   2           HB2      ASN   2 -14.184   3.280   2.180
    9    HB3  ASN   2           HB3      ASN   2 -15.805   2.737   2.605
   10   HD21  ASN   2          HD21      ASN   2 -14.174   3.494   4.638
   11   HD22  ASN   2          HD22      ASN   2 -13.579   2.107   5.530
   12    H    CYS   3           H        CYS   3 -14.143  -0.858   0.328
   13    HA   CYS   3           HA       CYS   3 -11.276  -0.244  -0.025
   14    HB2  CYS   3           HB2      CYS   3 -10.717  -2.299   1.302
   15    HB3  CYS   3           HB3      CYS   3 -11.194  -0.878   2.228
   16    HA   PRO   4           HA       PRO   4 -12.631  -3.149  -3.285
   17    HB2  PRO   4           HB2      PRO   4 -11.218  -2.008  -5.306
   18    HB3  PRO   4           HB3      PRO   4 -12.788  -1.344  -4.746
   19    HG2  PRO   4           HG2      PRO   4  -9.991  -0.442  -3.990
   20    HG3  PRO   4           HG3      PRO   4 -11.399   0.577  -4.476
   21    HD2  PRO   4           HD2      PRO   4 -10.693   0.152  -1.874
   22    HD3  PRO   4           HD3      PRO   4 -12.400   0.363  -2.385
   23    H    THR   5           H        THR   5 -11.115  -4.483  -4.749
   24    HA   THR   5           HA       THR   5  -8.537  -4.958  -3.320
   25    HB   THR   5           HB       THR   5 -10.270  -7.001  -4.751
   26    HG1  THR   5           HG1      THR   5 -10.781  -7.660  -2.652
   27   HG21  THR   5          HG21      THR   5  -7.873  -7.563  -4.675
   28   HG22  THR   5          HG22      THR   5  -7.844  -7.249  -2.926
   29   HG23  THR   5          HG23      THR   5  -8.798  -8.608  -3.573
   30    H    ARG   6           H        ARG   6  -6.805  -4.491  -4.556
   31    HA   ARG   6           HA       ARG   6  -6.875  -5.099  -7.466
   32    HB2  ARG   6           HB2      ARG   6  -5.804  -2.576  -6.143
   33    HB3  ARG   6           HB3      ARG   6  -5.560  -3.002  -7.836
   34    HG2  ARG   6           HG2      ARG   6  -8.332  -2.597  -6.636
   35    HG3  ARG   6           HG3      ARG   6  -7.366  -1.288  -7.316
   36    HD2  ARG   6           HD2      ARG   6  -8.808  -1.978  -9.053
   37    HD3  ARG   6           HD3      ARG   6  -7.193  -2.583  -9.464
   38    HE   ARG   6           HE       ARG   6  -8.857  -4.500  -8.013
   39   HH11  ARG   6          HH11      ARG   6  -8.034  -3.239 -11.215
   40   HH12  ARG   6          HH12      ARG   6  -8.551  -4.691 -12.042
   41   HH21  ARG   6          HH21      ARG   6  -9.512  -6.363  -9.109
   42   HH22  ARG   6          HH22      ARG   6  -9.382  -6.464 -10.850
   43    H    ARG   7           H        ARG   7  -5.042  -6.046  -8.201
   44    HA   ARG   7           HA       ARG   7  -2.617  -6.106  -6.486
   45    HB2  ARG   7           HB2      ARG   7  -4.070  -8.531  -7.612
   46    HB3  ARG   7           HB3      ARG   7  -2.456  -8.563  -6.888
   47    HG2  ARG   7           HG2      ARG   7  -5.006  -7.699  -5.445
   48    HG3  ARG   7           HG3      ARG   7  -4.213  -9.277  -5.309
   49    HD2  ARG   7           HD2      ARG   7  -2.140  -8.136  -4.501
   50    HD3  ARG   7           HD3      ARG   7  -2.993  -6.588  -4.527
   51    HE   ARG   7           HE       ARG   7  -3.477  -8.880  -2.707
   52   HH11  ARG   7          HH11      ARG   7  -4.276  -5.541  -3.604
   53   HH12  ARG   7          HH12      ARG   7  -5.061  -5.210  -2.077
   54   HH21  ARG   7          HH21      ARG   7  -4.538  -8.412  -0.761
   55   HH22  ARG   7          HH22      ARG   7  -5.243  -6.835  -0.492
   56    H    GLY   8           H        GLY   8  -0.716  -6.929  -7.730
   57    HA2  GLY   8           HA2      GLY   8   0.587  -7.080  -9.629
   58    HA3  GLY   8           HA3      GLY   8  -0.888  -7.205 -10.606
   59    H    LEU   9           H        LEU   9  -0.677  -4.449  -8.470
   60    HA   LEU   9           HA       LEU   9  -1.045  -2.585 -10.570
   61    HB2  LEU   9           HB2      LEU   9  -0.064  -2.289  -7.705
   62    HB3  LEU   9           HB3      LEU   9  -0.513  -0.922  -8.739
   63    HG   LEU   9           HG       LEU   9  -2.411  -3.215  -8.062
   64   HD11  LEU   9          HD11      LEU   9  -2.168  -0.450  -6.812
   65   HD12  LEU   9          HD12      LEU   9  -3.432  -1.647  -6.461
   66   HD13  LEU   9          HD13      LEU   9  -1.745  -1.991  -6.021
   67   HD21  LEU   9          HD21      LEU   9  -2.842  -0.418  -9.204
   68   HD22  LEU   9          HD22      LEU   9  -2.993  -1.937 -10.114
   69   HD23  LEU   9          HD23      LEU   9  -4.129  -1.569  -8.799
   70    H    CYS  10           H        CYS  10   1.917  -3.980  -9.286
   71    HA   CYS  10           HA       CYS  10   3.636  -1.862 -10.255
   72    HB2  CYS  10           HB2      CYS  10   4.125  -4.676  -9.242
   73    HB3  CYS  10           HB3      CYS  10   5.419  -3.590  -9.741
   74    H    VAL  11           H        VAL  11   1.769  -3.944 -12.004
   75    HA   VAL  11           HA       VAL  11   3.787  -4.075 -14.203
   76    HB   VAL  11           HB       VAL  11   1.641  -6.134 -13.545
   77   HG11  VAL  11          HG11      VAL  11   3.865  -6.109 -15.638
   78   HG12  VAL  11          HG12      VAL  11   2.821  -7.498 -15.261
   79   HG13  VAL  11          HG13      VAL  11   2.113  -6.031 -15.954
   80   HG21  VAL  11          HG21      VAL  11   3.458  -6.233 -11.908
   81   HG22  VAL  11          HG22      VAL  11   3.553  -7.615 -13.010
   82   HG23  VAL  11          HG23      VAL  11   4.666  -6.243 -13.219
   83    H    THR  12           H        THR  12   0.476  -3.358 -13.168
   84    HA   THR  12           HA       THR  12  -0.388  -3.007 -15.976
   85    HB   THR  12           HB       THR  12  -2.609  -2.625 -14.944
   86    HG1  THR  12           HG1      THR  12  -2.791  -2.978 -12.716
   87   HG21  THR  12          HG21      THR  12  -1.884  -4.922 -15.551
   88   HG22  THR  12          HG22      THR  12  -1.198  -5.126 -13.923
   89   HG23  THR  12          HG23      THR  12  -2.955  -4.921 -14.132
   90    H    SER  13           H        SER  13   0.750  -1.091 -13.267
   91    HA   SER  13           HA       SER  13   0.309   1.358 -14.875
   92    HB2  SER  13           HB2      SER  13  -0.716   0.785 -12.081
   93    HB3  SER  13           HB3      SER  13  -0.404   2.431 -12.657
   94    HG   SER  13           HG       SER  13  -2.580   1.759 -13.031
   95    H    GLY  14           H        GLY  14   2.064  -0.441 -12.408
   96    HA2  GLY  14           HA2      GLY  14   4.432  -0.116 -12.173
   97    HA3  GLY  14           HA3      GLY  14   4.229   1.602 -12.517
   98    H    LEU  15           H        LEU  15   5.678   1.430 -10.455
   99    HA   LEU  15           HA       LEU  15   4.647   0.682  -7.949
  100    HB2  LEU  15           HB2      LEU  15   7.011   1.061  -8.374
  101    HB3  LEU  15           HB3      LEU  15   6.703   2.755  -8.788
  102    HG   LEU  15           HG       LEU  15   6.004   3.223  -6.477
  103   HD11  LEU  15          HD11      LEU  15   5.153   0.973  -5.829
  104   HD12  LEU  15          HD12      LEU  15   6.810   0.326  -5.945
  105   HD13  LEU  15          HD13      LEU  15   6.392   1.540  -4.704
  106   HD21  LEU  15          HD21      LEU  15   8.358   3.487  -7.137
  107   HD22  LEU  15          HD22      LEU  15   8.225   2.981  -5.436
  108   HD23  LEU  15          HD23      LEU  15   8.688   1.804  -6.685
  109    H    THR  16           H        THR  16   4.112   3.648  -9.824
  110    HA   THR  16           HA       THR  16   3.332   5.325  -7.669
  111    HB   THR  16           HB       THR  16   2.313   5.371 -10.533
  112    HG1  THR  16           HG1      THR  16   4.139   6.698 -10.866
  113   HG21  THR  16          HG21      THR  16   2.678   7.546  -8.420
  114   HG22  THR  16          HG22      THR  16   2.218   7.830 -10.112
  115   HG23  THR  16          HG23      THR  16   1.129   6.926  -9.042
  116    H    ALA  17           H        ALA  17   1.492   2.853  -9.519
  117    HA   ALA  17           HA       ALA  17  -1.027   3.717  -8.309
  118    HB1  ALA  17           HB1      ALA  17  -1.950   1.779  -9.506
  119    HB2  ALA  17           HB2      ALA  17  -0.951   2.797 -10.573
  120    HB3  ALA  17           HB3      ALA  17  -0.306   1.261  -9.946
  121    H    CYS  18           H        CYS  18   1.503   1.299  -7.703
  122    HA   CYS  18           HA       CYS  18   0.028  -0.206  -5.739
  123    HB2  CYS  18           HB2      CYS  18   1.997  -1.084  -6.885
  124    HB3  CYS  18           HB3      CYS  18   2.993   0.230  -6.251
  125    H    ARG  19           H        ARG  19   1.905   2.799  -5.704
  126    HA   ARG  19           HA       ARG  19   2.003   2.961  -2.796
  127    HB2  ARG  19           HB2      ARG  19   3.681   3.861  -4.531
  128    HB3  ARG  19           HB3      ARG  19   2.521   5.171  -4.811
  129    HG2  ARG  19           HG2      ARG  19   2.609   5.723  -2.361
  130    HG3  ARG  19           HG3      ARG  19   3.805   4.428  -2.139
  131    HD2  ARG  19           HD2      ARG  19   5.295   5.566  -3.782
  132    HD3  ARG  19           HD3      ARG  19   4.105   6.874  -3.917
  133    HE   ARG  19           HE       ARG  19   5.223   6.184  -1.247
  134   HH11  ARG  19          HH11      ARG  19   5.086   8.455  -3.958
  135   HH12  ARG  19          HH12      ARG  19   5.788   9.766  -3.041
  136   HH21  ARG  19          HH21      ARG  19   6.130   7.914  -0.079
  137   HH22  ARG  19          HH22      ARG  19   6.385   9.460  -0.860
  138    H    ASN  20           H        ASN  20  -0.085   4.160  -5.389
  139    HA   ASN  20           HA       ASN  20  -1.536   5.960  -3.599
  140    HB2  ASN  20           HB2      ASN  20  -2.106   4.921  -6.399
  141    HB3  ASN  20           HB3      ASN  20  -3.097   6.121  -5.559
  142   HD21  ASN  20          HD21      ASN  20  -1.999   6.788  -7.987
  143   HD22  ASN  20          HD22      ASN  20  -0.721   7.969  -7.759
  144    H    HIS  21           H        HIS  21  -1.699   2.543  -4.424
  145    HA   HIS  21           HA       HIS  21  -4.452   2.263  -3.491
  146    HB2  HIS  21           HB2      HIS  21  -3.489   0.888  -5.304
  147    HB3  HIS  21           HB3      HIS  21  -2.307   0.222  -4.171
  148    HD1  HIS  21           HD1      HIS  21  -6.173   0.280  -4.574
  149    HD2  HIS  21           HD2      HIS  21  -3.022  -1.938  -2.901
  150    HE1  HIS  21           HE1      HIS  21  -7.200  -1.881  -3.677
  151    H    CYS  22           H        CYS  22  -1.143   1.733  -2.234
  152    HA   CYS  22           HA       CYS  22  -2.033   0.501   0.225
  153    HB2  CYS  22           HB2      CYS  22   0.542   1.805  -0.663
  154    HB3  CYS  22           HB3      CYS  22   0.346   1.084   0.933
  155    H    ARG  23           H        ARG  23  -1.634   3.851  -0.869
  156    HA   ARG  23           HA       ARG  23  -1.811   4.865   1.888
  157    HB2  ARG  23           HB2      ARG  23  -1.526   6.244  -0.797
  158    HB3  ARG  23           HB3      ARG  23  -1.678   7.099   0.751
  159    HG2  ARG  23           HG2      ARG  23   0.292   5.883   1.631
  160    HG3  ARG  23           HG3      ARG  23   0.527   5.107   0.058
  161    HD2  ARG  23           HD2      ARG  23   0.560   8.109   0.587
  162    HD3  ARG  23           HD3      ARG  23   1.985   7.087   0.327
  163    HE   ARG  23           HE       ARG  23   0.318   6.700  -1.898
  164   HH11  ARG  23          HH11      ARG  23   2.104   9.349  -0.378
  165   HH12  ARG  23          HH12      ARG  23   2.328  10.215  -1.881
  166   HH21  ARG  23          HH21      ARG  23   0.615   7.888  -3.858
  167   HH22  ARG  23          HH22      ARG  23   1.514   9.380  -3.831
  168    H    SER  24           H        SER  24  -4.013   3.460   0.052
  169    HA   SER  24           HA       SER  24  -6.197   5.206   1.081
  170    HB2  SER  24           HB2      SER  24  -6.173   3.644  -1.533
  171    HB3  SER  24           HB3      SER  24  -7.542   4.555  -0.866
  172    HG   SER  24           HG       SER  24  -5.057   5.546  -1.779
  173    H    CYS  25           H        CYS  25  -8.255   3.897   1.420
  174    HA   CYS  25           HA       CYS  25  -7.588   1.560   2.964
  175    HB2  CYS  25           HB2      CYS  25  -9.449   3.180   3.421
  176    HB3  CYS  25           HB3      CYS  25 -10.304   2.528   2.019
  177    H    HIS  26           H        HIS  26  -7.422  -0.534   2.317
  178    HA   HIS  26           HA       HIS  26  -8.730  -1.396  -0.199
  179    HB2  HIS  26           HB2      HIS  26  -6.557  -2.423  -0.900
  180    HB3  HIS  26           HB3      HIS  26  -6.531  -0.658  -0.898
  181    HD1  HIS  26           HD1      HIS  26  -4.764   0.486   0.646
  182    HD2  HIS  26           HD2      HIS  26  -5.265  -3.650   1.267
  183    HE1  HIS  26           HE1      HIS  26  -2.916  -0.236   2.289
  184    HE2  HIS  26           HE2      HIS  26  -3.258  -2.749   2.676
  185    H    ARG  27           H        ARG  27  -8.451  -3.812  -0.475
  186    HA   ARG  27           HA       ARG  27  -9.212  -5.076   2.028
  187    HB2  ARG  27           HB2      ARG  27 -10.333  -5.535  -0.157
  188    HB3  ARG  27           HB3      ARG  27  -8.818  -6.230  -0.756
  189    HG2  ARG  27           HG2      ARG  27 -10.350  -7.993  -0.035
  190    HG3  ARG  27           HG3      ARG  27  -8.912  -7.969   0.998
  191    HD2  ARG  27           HD2      ARG  27 -10.181  -6.687   2.714
  192    HD3  ARG  27           HD3      ARG  27 -11.620  -6.741   1.666
  193    HE   ARG  27           HE       ARG  27 -10.572  -9.380   2.155
  194   HH11  ARG  27          HH11      ARG  27 -12.451  -6.788   3.649
  195   HH12  ARG  27          HH12      ARG  27 -13.303  -7.869   4.732
  196   HH21  ARG  27          HH21      ARG  27 -11.703 -10.767   3.572
  197   HH22  ARG  27          HH22      ARG  27 -12.882 -10.115   4.684
  198    H    GLY  28           H        GLY  28  -8.046  -6.358   3.319
  199    HA2  GLY  28           HA2      GLY  28  -5.227  -6.992   2.591
  200    HA3  GLY  28           HA3      GLY  28  -5.886  -6.856   4.230
  201    H    ASP  29           H        ASP  29  -4.823  -9.010   4.490
  202    HA   ASP  29           HA       ASP  29  -6.054 -11.262   3.075
  203    HB2  ASP  29           HB2      ASP  29  -3.936 -11.093   5.247
  204    HB3  ASP  29           HB3      ASP  29  -4.437 -12.579   4.429
  205    H    VAL  30           H        VAL  30  -6.776  -9.478   5.912
  206    HA   VAL  30           HA       VAL  30  -8.597 -11.651   6.790
  207    HB   VAL  30           HB       VAL  30  -6.504 -11.746   8.113
  208   HG11  VAL  30          HG11      VAL  30  -7.302  -8.962   9.070
  209   HG12  VAL  30          HG12      VAL  30  -5.979  -9.962   9.717
  210   HG13  VAL  30          HG13      VAL  30  -5.894  -9.352   8.056
  211   HG21  VAL  30          HG21      VAL  30  -8.688 -12.421   9.088
  212   HG22  VAL  30          HG22      VAL  30  -7.530 -11.823  10.302
  213   HG23  VAL  30          HG23      VAL  30  -8.861 -10.777   9.767
  214    H    GLY  31           H        GLY  31  -8.074  -8.340   6.048
  215    HA2  GLY  31           HA2      GLY  31 -10.776  -7.588   6.367
  216    HA3  GLY  31           HA3      GLY  31  -9.891  -7.041   7.800
  217    H    CYS  32           H        CYS  32 -10.859  -4.986   6.419
  218    HA   CYS  32           HA       CYS  32  -8.965  -4.208   4.318
  219    HB2  CYS  32           HB2      CYS  32 -11.421  -2.843   5.445
  220    HB3  CYS  32           HB3      CYS  32 -10.384  -2.177   4.175
  221    H    VAL  33           H        VAL  33  -7.474  -2.613   4.392
  222    HA   VAL  33           HA       VAL  33  -7.031  -1.121   6.897
  223    HB   VAL  33           HB       VAL  33  -4.681  -1.851   7.007
  224   HG11  VAL  33          HG11      VAL  33  -6.591  -4.223   7.140
  225   HG12  VAL  33          HG12      VAL  33  -5.041  -4.051   7.989
  226   HG13  VAL  33          HG13      VAL  33  -6.399  -2.988   8.406
  227   HG21  VAL  33          HG21      VAL  33  -4.369  -2.554   4.664
  228   HG22  VAL  33          HG22      VAL  33  -3.941  -3.860   5.787
  229   HG23  VAL  33          HG23      VAL  33  -5.490  -3.913   4.917
  230    H    ARG  34           H        ARG  34  -5.226   0.422   6.651
  231    HA   ARG  34           HA       ARG  34  -4.553   1.154   3.853
  232    HB2  ARG  34           HB2      ARG  34  -4.902   3.540   4.416
  233    HB3  ARG  34           HB3      ARG  34  -6.407   2.608   4.483
  234    HG2  ARG  34           HG2      ARG  34  -6.195   2.441   6.955
  235    HG3  ARG  34           HG3      ARG  34  -4.700   3.402   6.893
  236    HD2  ARG  34           HD2      ARG  34  -5.916   5.299   5.952
  237    HD3  ARG  34           HD3      ARG  34  -7.407   4.331   5.867
  238    HE   ARG  34           HE       ARG  34  -6.533   4.266   8.548
  239   HH11  ARG  34          HH11      ARG  34  -7.720   6.650   6.225
  240   HH12  ARG  34          HH12      ARG  34  -8.439   7.662   7.458
  241   HH21  ARG  34          HH21      ARG  34  -7.454   5.607  10.131
  242   HH22  ARG  34          HH22      ARG  34  -8.287   7.071   9.661
  243    H    CYS  35           H        CYS  35  -2.463   2.225   3.703
  244    HA   CYS  35           HA       CYS  35  -0.806   1.831   6.154
  245    HB2  CYS  35           HB2      CYS  35  -0.093   1.133   3.302
  246    HB3  CYS  35           HB3      CYS  35   0.925   0.888   4.721
  247    H    SER  36           H        SER  36   1.602   2.639   5.302
  248    HA   SER  36           HA       SER  36   1.125   5.554   4.981
  249    HB2  SER  36           HB2      SER  36   2.249   4.587   7.016
  250    HB3  SER  36           HB3      SER  36   3.599   4.109   5.968
  251    HG   SER  36           HG       SER  36   3.860   6.306   5.412
  252    H    ASN  37           H        ASN  37   2.945   2.851   3.525
  253    HA   ASN  37           HA       ASN  37   3.506   4.495   1.162
  254    HB2  ASN  37           HB2      ASN  37   5.334   4.951   2.915
  255    HB3  ASN  37           HB3      ASN  37   5.838   3.275   2.699
  256   HD21  ASN  37          HD21      ASN  37   7.895   4.441   2.081
  257   HD22  ASN  37          HD22      ASN  37   8.077   4.906   0.402
  258    H    ALA  38           H        ALA  38   5.188   2.899  -0.253
  259    HA   ALA  38           HA       ALA  38   4.368   0.092   0.017
  260    HB1  ALA  38           HB1      ALA  38   3.632   1.727  -2.438
  261    HB2  ALA  38           HB2      ALA  38   3.282   0.010  -2.163
  262    HB3  ALA  38           HB3      ALA  38   2.478   1.249  -1.167
  263    H    GLN  39           H        GLN  39   5.317  -1.262  -1.707
  264    HA   GLN  39           HA       GLN  39   7.339  -0.109  -3.456
  265    HB2  GLN  39           HB2      GLN  39   9.162  -1.522  -2.662
  266    HB3  GLN  39           HB3      GLN  39   8.631  -0.427  -1.375
  267    HG2  GLN  39           HG2      GLN  39   7.373  -2.226  -0.309
  268    HG3  GLN  39           HG3      GLN  39   7.732  -3.330  -1.648
  269   HE21  GLN  39          HE21      GLN  39   9.516  -1.184   0.678
  270   HE22  GLN  39          HE22      GLN  39  10.812  -2.330   0.962
  271    H    CYS  40           H        CYS  40   8.226  -1.831  -4.933
  272    HA   CYS  40           HA       CYS  40   6.137  -3.873  -5.435
  273    HB2  CYS  40           HB2      CYS  40   8.421  -2.837  -7.138
  274    HB3  CYS  40           HB3      CYS  40   7.290  -4.099  -7.632
  275    H    THR  41           H        THR  41   6.580  -6.054  -5.533
  276    HA   THR  41           HA       THR  41   9.239  -6.975  -4.569
  277    HB   THR  41           HB       THR  41   8.098  -8.439  -2.935
  278    HG1  THR  41           HG1      THR  41   5.897  -8.049  -2.544
  279   HG21  THR  41          HG21      THR  41   7.501  -6.744  -1.296
  280   HG22  THR  41          HG22      THR  41   8.908  -6.187  -2.232
  281   HG23  THR  41          HG23      THR  41   7.289  -5.526  -2.575
  282    H    GLY  42           H        GLY  42   9.005  -9.577  -4.422
  283    HA2  GLY  42           HA2      GLY  42   8.589 -11.581  -5.496
  284    HA3  GLY  42           HA3      GLY  42   7.347 -10.782  -6.470
  285    H    PHE  43           H        PHE  43   8.554 -12.417  -7.999
  286    HA   PHE  43           HA       PHE  43  11.132 -11.764  -8.995
  287    HB2  PHE  43           HB2      PHE  43  10.003 -13.936  -9.297
  288    HB3  PHE  43           HB3      PHE  43   8.783 -13.162 -10.312
  289    HD1  PHE  43           HD2      PHE  43  12.551 -13.314 -10.140
  290    HD2  PHE  43           HD1      PHE  43   9.023 -13.514 -12.594
  291    HE1  PHE  43           HE2      PHE  43  13.964 -13.730 -12.134
  292    HE2  PHE  43           HE1      PHE  43  10.441 -13.948 -14.583
  293    HZ   PHE  43           HZ       PHE  43  12.908 -14.050 -14.357
  294    H    LEU  44           H        LEU  44  11.830 -10.350 -10.508
  295    HA   LEU  44           HA       LEU  44  11.870  -8.422 -11.661
  296    HB2  LEU  44           HB2      LEU  44   9.455  -9.669 -13.017
  297    HB3  LEU  44           HB3      LEU  44  10.431  -8.349 -13.673
  298    HG   LEU  44           HG       LEU  44  11.452 -11.151 -13.037
  299   HD11  LEU  44          HD11      LEU  44  10.886  -9.754 -15.684
  300   HD12  LEU  44          HD12      LEU  44  11.569 -11.388 -15.484
  301   HD13  LEU  44          HD13      LEU  44   9.907 -11.053 -14.960
  302   HD21  LEU  44          HD21      LEU  44  13.244  -9.484 -12.802
  303   HD22  LEU  44          HD22      LEU  44  13.467 -10.407 -14.298
  304   HD23  LEU  44          HD23      LEU  44  12.800  -8.759 -14.369
  305    H    GLY  45           H        GLY  45  10.053  -8.461  -9.172
  306    HA2  GLY  45           HA2      GLY  45   8.962  -6.801  -8.035
  307    HA3  GLY  45           HA3      GLY  45   9.298  -5.701  -9.384
  308    H    THR  46           H        THR  46   7.565  -8.715 -10.001
  309    HA   THR  46           HA       THR  46   5.406  -7.187 -11.158
  310    HB   THR  46           HB       THR  46   4.495  -9.424 -11.776
  311    HG1  THR  46           HG1      THR  46   6.878 -10.409 -10.619
  312   HG21  THR  46          HG21      THR  46   6.074  -8.269 -13.252
  313   HG22  THR  46          HG22      THR  46   7.446  -8.961 -12.368
  314   HG23  THR  46          HG23      THR  46   6.356 -10.020 -13.295
  315    H    THR  47           H        THR  47   5.823  -7.622  -7.982
  316    HA   THR  47           HA       THR  47   2.899  -7.985  -7.501
  317    HB   THR  47           HB       THR  47   5.184  -8.909  -5.723
  318    HG1  THR  47           HG1      THR  47   4.446 -10.962  -6.343
  319   HG21  THR  47          HG21      THR  47   2.160  -9.219  -5.506
  320   HG22  THR  47          HG22      THR  47   3.345 -10.092  -4.505
  321   HG23  THR  47          HG23      THR  47   3.224  -8.330  -4.385
  322    H    CYS  48           H        CYS  48   2.011  -6.746  -5.757
  323    HA   CYS  48           HA       CYS  48   3.593  -4.308  -5.094
  324    HB2  CYS  48           HB2      CYS  48   1.637  -3.822  -6.420
  325    HB3  CYS  48           HB3      CYS  48   0.629  -4.837  -5.387
  326    H    THR  49           H        THR  49   3.880  -3.716  -2.988
  327    HA   THR  49           HA       THR  49   2.442  -5.204  -0.863
  328    HB   THR  49           HB       THR  49   5.469  -4.941  -1.080
  329    HG1  THR  49           HG1      THR  49   4.570  -6.626  -2.285
  330   HG21  THR  49          HG21      THR  49   3.701  -6.065   1.130
  331   HG22  THR  49          HG22      THR  49   5.462  -6.310   1.023
  332   HG23  THR  49          HG23      THR  49   4.810  -4.678   1.250
  333    H    CYS  50           H        CYS  50   2.229  -4.050   1.087
  334    HA   CYS  50           HA       CYS  50   2.763  -1.149   0.795
  335    HB2  CYS  50           HB2      CYS  50   0.896  -2.593   2.687
  336    HB3  CYS  50           HB3      CYS  50   1.028  -0.848   2.442
  337    H    ILE  51           H        ILE  51   3.270   0.059   2.799
  338    HA   ILE  51           HA       ILE  51   5.314  -1.416   4.395
  339    HB   ILE  51           HB       ILE  51   5.113   1.503   3.600
  340   HG12  ILE  51          HG12      ILE  51   5.716   0.095   1.684
  341   HG13  ILE  51          HG13      ILE  51   7.068   1.106   2.198
  342   HG21  ILE  51          HG21      ILE  51   7.240   0.003   5.178
  343   HG22  ILE  51          HG22      ILE  51   7.437   1.643   4.516
  344   HG23  ILE  51          HG23      ILE  51   6.197   1.335   5.743
  345   HD11  ILE  51          HD11      ILE  51   7.812  -1.158   1.634
  346   HD12  ILE  51          HD12      ILE  51   8.095  -0.828   3.352
  347   HD13  ILE  51          HD13      ILE  51   6.723  -1.852   2.850
  348    H    ASN  52           H        ASN  52   5.331  -1.202   6.608
  349    HA   ASN  52           HA       ASN  52   2.840  -0.597   7.868
  350    HB2  ASN  52           HB2      ASN  52   5.614  -1.094   9.029
  351    HB3  ASN  52           HB3      ASN  52   4.104  -1.135   9.947
  352   HD21  ASN  52          HD21      ASN  52   2.459  -2.783   9.315
  353   HD22  ASN  52          HD22      ASN  52   3.016  -4.289   8.618
  354    HA   PRO  53           HA       PRO  53   2.349  -0.040  10.206
  355    HB2  PRO  53           HB2      PRO  53   0.551   1.737  11.181
  356    HB3  PRO  53           HB3      PRO  53   2.211   1.618  11.849
  357    HG2  PRO  53           HG2      PRO  53   1.198   3.562   9.757
  358    HG3  PRO  53           HG3      PRO  53   2.092   3.935  11.273
  359    HD2  PRO  53           HD2      PRO  53   3.390   3.695   8.891
  360    HD3  PRO  53           HD3      PRO  53   4.113   3.069  10.400
  361    H    CYS  54           H        CYS  54   0.059  -0.639   9.995
  362    HA   CYS  54           HA       CYS  54  -1.308   0.392   7.580
  363    HB2  CYS  54           HB2      CYS  54  -0.571  -2.480   8.182
  364    HB3  CYS  54           HB3      CYS  54  -1.857  -2.052   7.065
  365    HA   PRO  55           HA       PRO  55  -4.007  -0.202  11.384
  366    HB2  PRO  55           HB2      PRO  55  -5.206   2.262  11.324
  367    HB3  PRO  55           HB3      PRO  55  -3.620   1.965  12.108
  368    HG2  PRO  55           HG2      PRO  55  -4.128   2.978   9.290
  369    HG3  PRO  55           HG3      PRO  55  -3.066   3.712  10.546
  370    HD2  PRO  55           HD2      PRO  55  -2.009   2.106   8.668
  371    HD3  PRO  55           HD3      PRO  55  -1.494   1.919  10.368
  372    H    ARG  56           H        ARG  56  -6.394  -0.155  11.478
  373    HA   ARG  56           HA       ARG  56  -7.496  -1.180   8.999
  374    HB2  ARG  56           HB2      ARG  56  -8.742  -0.678  11.724
  375    HB3  ARG  56           HB3      ARG  56  -9.525  -1.534  10.375
  376    HG2  ARG  56           HG2      ARG  56  -7.673  -3.202  10.370
  377    HG3  ARG  56           HG3      ARG  56  -6.940  -2.385  11.766
  378    HD2  ARG  56           HD2      ARG  56  -9.726  -3.611  11.684
  379    HD3  ARG  56           HD3      ARG  56  -8.291  -4.359  12.411
  380    HE   ARG  56           HE       ARG  56  -8.558  -1.826  13.598
  381   HH11  ARG  56          HH11      ARG  56 -10.408  -4.839  13.425
  382   HH12  ARG  56          HH12      ARG  56 -11.154  -4.600  14.988
  383   HH21  ARG  56          HH21      ARG  56  -9.550  -1.546  15.627
  384   HH22  ARG  56          HH22      ARG  56 -10.682  -2.739  16.219
  385    H    CYS  57           H        CYS  57  -9.570  -0.498   8.109
  386    HA   CYS  57           HA       CYS  57 -10.348   2.303   8.467
  387    HB2  CYS  57           HB2      CYS  57  -9.956   2.837   6.089
  388    HB3  CYS  57           HB3      CYS  57  -8.460   2.494   6.963
  Start of MODEL    4
    1    HA   PCA   1           HA       PCA   1 -17.512  -1.132  -0.892
    2    HB2  PCA   1           HB2      PCA   1 -15.035  -2.889  -0.916
    3    HB3  PCA   1           HB3      PCA   1 -16.301  -2.771   0.354
    4    HG2  PCA   1           HG2      PCA   1 -17.852  -4.001  -0.969
    5    HG3  PCA   1           HG3      PCA   1 -16.325  -4.757  -1.555
    6    H    ASN   2           H        ASN   2 -15.865  -0.093   0.632
    7    HA   ASN   2           HA       ASN   2 -14.374   1.921  -0.840
    8    HB2  ASN   2           HB2      ASN   2 -15.806   2.316   1.227
    9    HB3  ASN   2           HB3      ASN   2 -14.558   1.483   2.164
   10   HD21  ASN   2          HD21      ASN   2 -14.430   3.543   3.353
   11   HD22  ASN   2          HD22      ASN   2 -13.446   4.841   2.692
   12    H    CYS   3           H        CYS   3 -13.625  -1.157  -0.330
   13    HA   CYS   3           HA       CYS   3 -10.728  -0.652  -0.256
   14    HB2  CYS   3           HB2      CYS   3 -10.530  -2.541   1.453
   15    HB3  CYS   3           HB3      CYS   3 -10.918  -0.925   2.021
   16    HA   PRO   4           HA       PRO   4 -11.843  -4.017  -3.195
   17    HB2  PRO   4           HB2      PRO   4 -10.460  -3.098  -5.332
   18    HB3  PRO   4           HB3      PRO   4 -12.033  -2.379  -4.871
   19    HG2  PRO   4           HG2      PRO   4  -9.257  -1.372  -4.147
   20    HG3  PRO   4           HG3      PRO   4 -10.601  -0.437  -4.872
   21    HD2  PRO   4           HD2      PRO   4 -10.135  -0.435  -2.191
   22    HD3  PRO   4           HD3      PRO   4 -11.797  -0.399  -2.845
   23    H    THR   5           H        THR   5 -10.134  -5.305  -4.587
   24    HA   THR   5           HA       THR   5  -7.595  -5.512  -3.028
   25    HB   THR   5           HB       THR   5  -9.140  -7.796  -4.320
   26    HG1  THR   5           HG1      THR   5  -9.736  -8.301  -2.215
   27   HG21  THR   5          HG21      THR   5  -6.718  -8.200  -4.060
   28   HG22  THR   5          HG22      THR   5  -6.805  -7.725  -2.353
   29   HG23  THR   5          HG23      THR   5  -7.646  -9.189  -2.915
   30    H    ARG   6           H        ARG   6  -5.777  -5.325  -4.202
   31    HA   ARG   6           HA       ARG   6  -5.745  -6.100  -7.065
   32    HB2  ARG   6           HB2      ARG   6  -4.848  -3.412  -5.937
   33    HB3  ARG   6           HB3      ARG   6  -4.524  -3.969  -7.583
   34    HG2  ARG   6           HG2      ARG   6  -7.308  -3.537  -6.423
   35    HG3  ARG   6           HG3      ARG   6  -6.423  -2.372  -7.425
   36    HD2  ARG   6           HD2      ARG   6  -6.307  -4.007  -9.258
   37    HD3  ARG   6           HD3      ARG   6  -7.219  -5.180  -8.287
   38    HE   ARG   6           HE       ARG   6  -8.671  -2.723  -8.449
   39   HH11  ARG   6          HH11      ARG   6  -7.761  -5.523 -10.412
   40   HH12  ARG   6          HH12      ARG   6  -9.155  -5.386 -11.459
   41   HH21  ARG   6          HH21      ARG   6 -10.477  -2.572  -9.829
   42   HH22  ARG   6          HH22      ARG   6 -10.687  -3.721 -11.126
   43    H    ARG   7           H        ARG   7  -3.702  -6.792  -7.750
   44    HA   ARG   7           HA       ARG   7  -1.554  -6.859  -5.665
   45    HB2  ARG   7           HB2      ARG   7  -2.444  -9.175  -7.426
   46    HB3  ARG   7           HB3      ARG   7  -1.135  -9.212  -6.248
   47    HG2  ARG   7           HG2      ARG   7  -4.103  -8.870  -5.627
   48    HG3  ARG   7           HG3      ARG   7  -3.150 -10.339  -5.418
   49    HD2  ARG   7           HD2      ARG   7  -2.803  -7.725  -3.901
   50    HD3  ARG   7           HD3      ARG   7  -3.430  -9.249  -3.273
   51    HE   ARG   7           HE       ARG   7  -1.163 -10.224  -3.637
   52   HH11  ARG   7          HH11      ARG   7  -1.504  -6.698  -3.409
   53   HH12  ARG   7          HH12      ARG   7   0.174  -6.474  -2.964
   54   HH21  ARG   7          HH21      ARG   7   1.000  -9.862  -3.010
   55   HH22  ARG   7          HH22      ARG   7   1.558  -8.227  -2.724
   56    H    GLY   8           H        GLY   8  -2.483  -6.595  -9.040
   57    HA2  GLY   8           HA2      GLY   8   0.287  -7.006  -9.983
   58    HA3  GLY   8           HA3      GLY   8  -1.180  -6.962 -10.967
   59    H    LEU   9           H        LEU   9  -0.846  -4.422  -8.577
   60    HA   LEU   9           HA       LEU   9  -1.163  -2.394 -10.509
   61    HB2  LEU   9           HB2      LEU   9  -0.071  -2.298  -7.672
   62    HB3  LEU   9           HB3      LEU   9  -0.580  -0.882  -8.605
   63    HG   LEU   9           HG       LEU   9  -2.394  -3.237  -7.907
   64   HD11  LEU   9          HD11      LEU   9  -1.705  -1.971  -5.905
   65   HD12  LEU   9          HD12      LEU   9  -2.183  -0.453  -6.703
   66   HD13  LEU   9          HD13      LEU   9  -3.414  -1.665  -6.296
   67   HD21  LEU   9          HD21      LEU   9  -2.965  -0.481  -9.087
   68   HD22  LEU   9          HD22      LEU   9  -3.112  -2.034  -9.941
   69   HD23  LEU   9          HD23      LEU   9  -4.199  -1.659  -8.589
   70    H    CYS  10           H        CYS  10   1.807  -3.942  -9.368
   71    HA   CYS  10           HA       CYS  10   3.489  -1.762 -10.309
   72    HB2  CYS  10           HB2      CYS  10   4.061  -4.570  -9.325
   73    HB3  CYS  10           HB3      CYS  10   5.317  -3.442  -9.827
   74    H    VAL  11           H        VAL  11   1.623  -3.796 -12.040
   75    HA   VAL  11           HA       VAL  11   3.586  -3.894 -14.288
   76    HB   VAL  11           HB       VAL  11   1.420  -5.929 -13.634
   77   HG11  VAL  11          HG11      VAL  11   1.797  -5.740 -16.053
   78   HG12  VAL  11          HG12      VAL  11   3.556  -5.866 -15.805
   79   HG13  VAL  11          HG13      VAL  11   2.500  -7.248 -15.441
   80   HG21  VAL  11          HG21      VAL  11   3.311  -6.103 -12.076
   81   HG22  VAL  11          HG22      VAL  11   3.340  -7.454 -13.221
   82   HG23  VAL  11          HG23      VAL  11   4.459  -6.087 -13.438
   83    H    THR  12           H        THR  12   0.325  -3.136 -13.151
   84    HA   THR  12           HA       THR  12  -0.632  -2.672 -15.889
   85    HB   THR  12           HB       THR  12  -2.744  -2.053 -14.741
   86    HG1  THR  12           HG1      THR  12  -2.833  -2.372 -12.503
   87   HG21  THR  12          HG21      THR  12  -3.275  -4.289 -13.889
   88   HG22  THR  12          HG22      THR  12  -2.279  -4.410 -15.356
   89   HG23  THR  12          HG23      THR  12  -1.545  -4.676 -13.758
   90    H    SER  13           H        SER  13   0.968  -0.886 -13.410
   91    HA   SER  13           HA       SER  13   0.776   1.549 -15.061
   92    HB2  SER  13           HB2      SER  13  -1.174   1.605 -13.454
   93    HB3  SER  13           HB3      SER  13  -0.004   1.533 -12.124
   94    HG   SER  13           HG       SER  13  -0.206   3.550 -14.116
   95    H    GLY  14           H        GLY  14   1.973  -0.111 -12.150
   96    HA2  GLY  14           HA2      GLY  14   4.445  -0.283 -11.961
   97    HA3  GLY  14           HA3      GLY  14   4.529   1.442 -12.334
   98    H    LEU  15           H        LEU  15   5.756   1.499 -10.277
   99    HA   LEU  15           HA       LEU  15   4.651   0.784  -7.776
  100    HB2  LEU  15           HB2      LEU  15   7.026   1.196  -8.140
  101    HB3  LEU  15           HB3      LEU  15   6.702   2.878  -8.592
  102    HG   LEU  15           HG       LEU  15   5.907   3.368  -6.319
  103   HD11  LEU  15          HD11      LEU  15   6.263   1.691  -4.514
  104   HD12  LEU  15          HD12      LEU  15   5.060   1.121  -5.688
  105   HD13  LEU  15          HD13      LEU  15   6.723   0.483  -5.732
  106   HD21  LEU  15          HD21      LEU  15   8.291   3.663  -6.886
  107   HD22  LEU  15          HD22      LEU  15   8.098   3.179  -5.189
  108   HD23  LEU  15          HD23      LEU  15   8.623   1.985  -6.402
  109    H    THR  16           H        THR  16   4.080   3.640  -9.792
  110    HA   THR  16           HA       THR  16   3.228   5.399  -7.726
  111    HB   THR  16           HB       THR  16   2.238   5.309 -10.599
  112    HG1  THR  16           HG1      THR  16   4.015   6.675 -10.966
  113   HG21  THR  16          HG21      THR  16   2.528   7.578  -8.576
  114   HG22  THR  16          HG22      THR  16   2.054   7.766 -10.281
  115   HG23  THR  16          HG23      THR  16   1.002   6.878  -9.158
  116    H    ALA  17           H        ALA  17   1.396   2.923  -9.639
  117    HA   ALA  17           HA       ALA  17  -1.106   3.714  -8.379
  118    HB1  ALA  17           HB1      ALA  17  -0.340   1.255  -9.997
  119    HB2  ALA  17           HB2      ALA  17  -1.996   1.729  -9.542
  120    HB3  ALA  17           HB3      ALA  17  -1.051   2.763 -10.633
  121    H    CYS  18           H        CYS  18   1.501   1.404  -7.716
  122    HA   CYS  18           HA       CYS  18   0.029  -0.152  -5.787
  123    HB2  CYS  18           HB2      CYS  18   2.013  -0.987  -6.922
  124    HB3  CYS  18           HB3      CYS  18   2.986   0.332  -6.267
  125    H    ARG  19           H        ARG  19   1.901   2.870  -5.694
  126    HA   ARG  19           HA       ARG  19   1.944   2.992  -2.785
  127    HB2  ARG  19           HB2      ARG  19   3.616   3.995  -4.467
  128    HB3  ARG  19           HB3      ARG  19   2.408   5.263  -4.749
  129    HG2  ARG  19           HG2      ARG  19   2.447   5.811  -2.314
  130    HG3  ARG  19           HG3      ARG  19   3.648   4.522  -2.058
  131    HD2  ARG  19           HD2      ARG  19   5.177   5.699  -3.651
  132    HD3  ARG  19           HD3      ARG  19   3.979   6.999  -3.791
  133    HE   ARG  19           HE       ARG  19   5.054   6.273  -1.110
  134   HH11  ARG  19          HH11      ARG  19   4.860   8.625  -3.753
  135   HH12  ARG  19          HH12      ARG  19   5.519   9.924  -2.787
  136   HH21  ARG  19          HH21      ARG  19   5.896   7.980   0.113
  137   HH22  ARG  19          HH22      ARG  19   6.093   9.561  -0.601
  138    H    ASN  20           H        ASN  20  -0.117   4.204  -5.396
  139    HA   ASN  20           HA       ASN  20  -1.668   5.936  -3.636
  140    HB2  ASN  20           HB2      ASN  20  -2.172   4.855  -6.442
  141    HB3  ASN  20           HB3      ASN  20  -3.198   6.045  -5.623
  142   HD21  ASN  20          HD21      ASN  20  -2.128   6.709  -8.035
  143   HD22  ASN  20          HD22      ASN  20  -0.848   7.891  -7.834
  144    H    HIS  21           H        HIS  21  -1.668   2.526  -4.397
  145    HA   HIS  21           HA       HIS  21  -4.431   2.121  -3.480
  146    HB2  HIS  21           HB2      HIS  21  -3.478   0.783  -5.287
  147    HB3  HIS  21           HB3      HIS  21  -2.178   0.230  -4.225
  148    HD1  HIS  21           HD1      HIS  21  -6.030  -0.141  -4.491
  149    HD2  HIS  21           HD2      HIS  21  -2.613  -1.901  -2.796
  150    HE1  HIS  21           HE1      HIS  21  -6.782  -2.360  -3.478
  151    H    CYS  22           H        CYS  22  -1.119   1.893  -2.214
  152    HA   CYS  22           HA       CYS  22  -1.951   0.555   0.236
  153    HB2  CYS  22           HB2      CYS  22   0.600   1.897  -0.653
  154    HB3  CYS  22           HB3      CYS  22   0.409   1.115   0.921
  155    H    ARG  23           H        ARG  23  -1.491   3.946  -0.810
  156    HA   ARG  23           HA       ARG  23  -1.634   4.926   1.950
  157    HB2  ARG  23           HB2      ARG  23  -1.614   6.316  -0.755
  158    HB3  ARG  23           HB3      ARG  23  -1.722   7.169   0.799
  159    HG2  ARG  23           HG2      ARG  23   0.377   6.067   1.546
  160    HG3  ARG  23           HG3      ARG  23   0.554   5.312  -0.044
  161    HD2  ARG  23           HD2      ARG  23   0.459   8.306   0.502
  162    HD3  ARG  23           HD3      ARG  23   1.918   7.357   0.179
  163    HE   ARG  23           HE       ARG  23   0.184   6.890  -1.984
  164   HH11  ARG  23          HH11      ARG  23   1.867   9.635  -0.519
  165   HH12  ARG  23          HH12      ARG  23   2.029  10.493  -2.033
  166   HH21  ARG  23          HH21      ARG  23   0.392   8.059  -3.951
  167   HH22  ARG  23          HH22      ARG  23   1.197   9.605  -3.962
  168    H    SER  24           H        SER  24  -3.878   3.983  -0.484
  169    HA   SER  24           HA       SER  24  -6.119   5.295   0.981
  170    HB2  SER  24           HB2      SER  24  -6.010   3.881  -1.709
  171    HB3  SER  24           HB3      SER  24  -7.475   4.565  -0.958
  172    HG   SER  24           HG       SER  24  -6.424   5.996  -2.444
  173    H    CYS  25           H        CYS  25  -8.124   3.724   1.193
  174    HA   CYS  25           HA       CYS  25  -7.054   1.481   2.692
  175    HB2  CYS  25           HB2      CYS  25  -8.969   2.916   3.421
  176    HB3  CYS  25           HB3      CYS  25  -9.969   2.121   2.199
  177    H    HIS  26           H        HIS  26  -7.241  -0.669   2.336
  178    HA   HIS  26           HA       HIS  26  -8.428  -1.674  -0.176
  179    HB2  HIS  26           HB2      HIS  26  -6.224  -2.839  -0.646
  180    HB3  HIS  26           HB3      HIS  26  -6.206  -1.088  -0.876
  181    HD1  HIS  26           HD1      HIS  26  -4.397   0.219   0.424
  182    HD2  HIS  26           HD2      HIS  26  -5.132  -3.671   1.872
  183    HE1  HIS  26           HE1      HIS  26  -2.666  -0.214   2.277
  184    HE2  HIS  26           HE2      HIS  26  -3.124  -2.579   3.145
  185    H    ARG  27           H        ARG  27  -8.087  -4.166  -0.198
  186    HA   ARG  27           HA       ARG  27  -9.233  -5.090   2.270
  187    HB2  ARG  27           HB2      ARG  27  -9.758  -5.844  -0.126
  188    HB3  ARG  27           HB3      ARG  27  -8.250  -6.760  -0.073
  189    HG2  ARG  27           HG2      ARG  27 -10.174  -8.193   0.477
  190    HG3  ARG  27           HG3      ARG  27  -9.095  -8.047   1.875
  191    HD2  ARG  27           HD2      ARG  27 -11.503  -7.855   2.478
  192    HD3  ARG  27           HD3      ARG  27 -10.577  -6.413   2.915
  193    HE   ARG  27           HE       ARG  27 -11.446  -5.556   0.592
  194   HH11  ARG  27          HH11      ARG  27 -13.299  -7.529   2.884
  195   HH12  ARG  27          HH12      ARG  27 -14.834  -6.873   2.362
  196   HH21  ARG  27          HH21      ARG  27 -13.436  -4.734  -0.045
  197   HH22  ARG  27          HH22      ARG  27 -14.917  -5.305   0.685
  198    H    GLY  28           H        GLY  28  -8.399  -6.337   3.874
  199    HA2  GLY  28           HA2      GLY  28  -5.482  -6.981   3.786
  200    HA3  GLY  28           HA3      GLY  28  -6.368  -6.499   5.241
  201    H    ASP  29           H        ASP  29  -5.324  -8.603   5.979
  202    HA   ASP  29           HA       ASP  29  -6.507 -11.068   4.894
  203    HB2  ASP  29           HB2      ASP  29  -4.087 -10.818   5.441
  204    HB3  ASP  29           HB3      ASP  29  -4.508 -10.613   7.143
  205    H    VAL  30           H        VAL  30  -7.209  -8.834   7.413
  206    HA   VAL  30           HA       VAL  30  -9.119 -10.787   8.599
  207    HB   VAL  30           HB       VAL  30  -7.050 -10.625   9.964
  208   HG11  VAL  30          HG11      VAL  30  -6.432  -8.290   9.484
  209   HG12  VAL  30          HG12      VAL  30  -7.876  -7.714  10.339
  210   HG13  VAL  30          HG13      VAL  30  -6.593  -8.563  11.229
  211   HG21  VAL  30          HG21      VAL  30  -8.138 -10.306  12.103
  212   HG22  VAL  30          HG22      VAL  30  -9.458  -9.388  11.348
  213   HG23  VAL  30          HG23      VAL  30  -9.260 -11.129  11.001
  214    H    GLY  31           H        GLY  31  -8.611  -7.772   7.150
  215    HA2  GLY  31           HA2      GLY  31 -11.278  -6.951   7.163
  216    HA3  GLY  31           HA3      GLY  31 -10.507  -6.137   8.546
  217    H    CYS  32           H        CYS  32 -11.323  -4.364   6.768
  218    HA   CYS  32           HA       CYS  32  -9.301  -3.954   4.699
  219    HB2  CYS  32           HB2      CYS  32 -11.687  -2.300   5.564
  220    HB3  CYS  32           HB3      CYS  32 -10.577  -1.862   4.257
  221    H    VAL  33           H        VAL  33  -7.722  -2.439   4.620
  222    HA   VAL  33           HA       VAL  33  -7.177  -0.776   7.012
  223    HB   VAL  33           HB       VAL  33  -4.843  -1.639   7.085
  224   HG11  VAL  33          HG11      VAL  33  -6.953  -3.783   7.547
  225   HG12  VAL  33          HG12      VAL  33  -5.319  -3.743   8.247
  226   HG13  VAL  33          HG13      VAL  33  -6.496  -2.486   8.683
  227   HG21  VAL  33          HG21      VAL  33  -4.293  -3.783   6.025
  228   HG22  VAL  33          HG22      VAL  33  -5.886  -3.825   5.239
  229   HG23  VAL  33          HG23      VAL  33  -4.705  -2.561   4.807
  230    H    ARG  34           H        ARG  34  -5.396   0.732   6.667
  231    HA   ARG  34           HA       ARG  34  -4.584   1.121   3.839
  232    HB2  ARG  34           HB2      ARG  34  -4.939   3.479   3.951
  233    HB3  ARG  34           HB3      ARG  34  -6.462   2.678   4.375
  234    HG2  ARG  34           HG2      ARG  34  -5.927   3.034   6.801
  235    HG3  ARG  34           HG3      ARG  34  -4.476   3.933   6.316
  236    HD2  ARG  34           HD2      ARG  34  -7.350   4.645   5.611
  237    HD3  ARG  34           HD3      ARG  34  -6.320   5.475   6.789
  238    HE   ARG  34           HE       ARG  34  -5.015   5.424   4.245
  239   HH11  ARG  34          HH11      ARG  34  -7.695   7.011   5.923
  240   HH12  ARG  34          HH12      ARG  34  -7.640   8.430   4.899
  241   HH21  ARG  34          HH21      ARG  34  -4.990   7.256   2.918
  242   HH22  ARG  34          HH22      ARG  34  -6.095   8.575   3.213
  243    H    CYS  35           H        CYS  35  -2.464   2.054   3.629
  244    HA   CYS  35           HA       CYS  35  -0.860   1.706   6.122
  245    HB2  CYS  35           HB2      CYS  35  -0.114   1.065   3.266
  246    HB3  CYS  35           HB3      CYS  35   0.875   0.771   4.695
  247    H    SER  36           H        SER  36   1.574   2.504   5.299
  248    HA   SER  36           HA       SER  36   1.128   5.431   5.100
  249    HB2  SER  36           HB2      SER  36   2.263   4.410   7.087
  250    HB3  SER  36           HB3      SER  36   3.565   3.856   6.019
  251    HG   SER  36           HG       SER  36   4.016   5.882   7.001
  252    H    ASN  37           H        ASN  37   2.964   2.780   3.552
  253    HA   ASN  37           HA       ASN  37   3.521   4.502   1.240
  254    HB2  ASN  37           HB2      ASN  37   5.344   4.879   3.025
  255    HB3  ASN  37           HB3      ASN  37   5.842   3.210   2.727
  256   HD21  ASN  37          HD21      ASN  37   7.907   4.441   2.173
  257   HD22  ASN  37          HD22      ASN  37   8.082   4.984   0.517
  258    H    ALA  38           H        ALA  38   5.225   2.931  -0.215
  259    HA   ALA  38           HA       ALA  38   4.352   0.138  -0.032
  260    HB1  ALA  38           HB1      ALA  38   3.286   0.138  -2.225
  261    HB2  ALA  38           HB2      ALA  38   2.510   1.383  -1.221
  262    HB3  ALA  38           HB3      ALA  38   3.697   1.851  -2.460
  263    H    GLN  39           H        GLN  39   5.269  -1.188  -1.802
  264    HA   GLN  39           HA       GLN  39   7.385  -0.070  -3.465
  265    HB2  GLN  39           HB2      GLN  39   9.118  -1.597  -2.666
  266    HB3  GLN  39           HB3      GLN  39   8.613  -0.503  -1.365
  267    HG2  GLN  39           HG2      GLN  39   7.258  -2.251  -0.352
  268    HG3  GLN  39           HG3      GLN  39   7.567  -3.344  -1.722
  269   HE21  GLN  39          HE21      GLN  39   9.402  -1.403   0.723
  270   HE22  GLN  39          HE22      GLN  39  10.639  -2.619   0.967
  271    H    CYS  40           H        CYS  40   8.229  -1.799  -4.972
  272    HA   CYS  40           HA       CYS  40   6.073  -3.773  -5.525
  273    HB2  CYS  40           HB2      CYS  40   8.320  -2.682  -7.242
  274    HB3  CYS  40           HB3      CYS  40   7.187  -3.943  -7.753
  275    H    THR  41           H        THR  41   6.505  -5.953  -5.775
  276    HA   THR  41           HA       THR  41   9.157  -6.941  -4.846
  277    HB   THR  41           HB       THR  41   7.989  -8.503  -3.329
  278    HG1  THR  41           HG1      THR  41   5.791  -8.097  -2.907
  279   HG21  THR  41          HG21      THR  41   7.432  -6.911  -1.583
  280   HG22  THR  41          HG22      THR  41   8.837  -6.307  -2.488
  281   HG23  THR  41          HG23      THR  41   7.221  -5.609  -2.770
  282    H    GLY  42           H        GLY  42   8.922  -9.532  -4.855
  283    HA2  GLY  42           HA2      GLY  42   8.109 -11.447  -6.059
  284    HA3  GLY  42           HA3      GLY  42   7.583 -10.391  -7.372
  285    H    PHE  43           H        PHE  43   8.904 -12.330  -8.388
  286    HA   PHE  43           HA       PHE  43  11.751 -12.338  -8.236
  287    HB2  PHE  43           HB2      PHE  43  10.545 -14.259  -9.018
  288    HB3  PHE  43           HB3      PHE  43   9.725 -13.318 -10.262
  289    HD1  PHE  43           HD2      PHE  43  13.141 -14.493  -9.236
  290    HD2  PHE  43           HD1      PHE  43  10.578 -13.191 -12.437
  291    HE1  PHE  43           HE2      PHE  43  14.913 -15.035 -10.877
  292    HE2  PHE  43           HE1      PHE  43  12.356 -13.730 -14.077
  293    HZ   PHE  43           HZ       PHE  43  14.530 -14.644 -13.296
  294    H    LEU  44           H        LEU  44   9.529 -10.228  -9.964
  295    HA   LEU  44           HA       LEU  44  11.846  -8.889 -11.186
  296    HB2  LEU  44           HB2      LEU  44  10.842 -10.685 -12.734
  297    HB3  LEU  44           HB3      LEU  44   9.428  -9.645 -12.857
  298    HG   LEU  44           HG       LEU  44  10.886  -7.825 -13.799
  299   HD11  LEU  44          HD11      LEU  44  13.034  -9.983 -13.634
  300   HD12  LEU  44          HD12      LEU  44  13.188  -8.455 -14.522
  301   HD13  LEU  44          HD13      LEU  44  13.038  -8.428 -12.755
  302   HD21  LEU  44          HD21      LEU  44   9.735  -9.436 -15.273
  303   HD22  LEU  44          HD22      LEU  44  11.297  -8.924 -15.952
  304   HD23  LEU  44          HD23      LEU  44  11.143 -10.520 -15.181
  305    H    GLY  45           H        GLY  45   9.726  -8.384  -9.032
  306    HA2  GLY  45           HA2      GLY  45   8.806  -6.430  -8.223
  307    HA3  GLY  45           HA3      GLY  45   9.314  -5.594  -9.702
  308    H    THR  46           H        THR  46   7.433  -8.506 -10.119
  309    HA   THR  46           HA       THR  46   5.354  -6.953 -11.423
  310    HB   THR  46           HB       THR  46   4.481  -9.236 -12.025
  311    HG1  THR  46           HG1      THR  46   5.838 -10.968 -11.482
  312   HG21  THR  46          HG21      THR  46   6.379  -9.790 -13.500
  313   HG22  THR  46          HG22      THR  46   6.065  -8.048 -13.477
  314   HG23  THR  46          HG23      THR  46   7.436  -8.714 -12.555
  315    H    THR  47           H        THR  47   5.707  -7.433  -8.230
  316    HA   THR  47           HA       THR  47   2.769  -7.751  -7.802
  317    HB   THR  47           HB       THR  47   5.014  -8.837  -6.052
  318    HG1  THR  47           HG1      THR  47   4.692  -9.979  -7.993
  319   HG21  THR  47          HG21      THR  47   3.130 -10.020  -4.908
  320   HG22  THR  47          HG22      THR  47   3.048  -8.261  -4.711
  321   HG23  THR  47          HG23      THR  47   1.978  -9.078  -5.881
  322    H    CYS  48           H        CYS  48   1.901  -6.576  -6.018
  323    HA   CYS  48           HA       CYS  48   3.523  -4.190  -5.277
  324    HB2  CYS  48           HB2      CYS  48   1.518  -3.666  -6.502
  325    HB3  CYS  48           HB3      CYS  48   0.549  -4.711  -5.463
  326    H    THR  49           H        THR  49   3.819  -3.618  -3.149
  327    HA   THR  49           HA       THR  49   2.458  -5.178  -1.033
  328    HB   THR  49           HB       THR  49   5.474  -4.888  -1.316
  329    HG1  THR  49           HG1      THR  49   4.566  -6.573  -2.508
  330   HG21  THR  49          HG21      THR  49   4.889  -4.654   1.041
  331   HG22  THR  49          HG22      THR  49   3.787  -6.047   0.945
  332   HG23  THR  49          HG23      THR  49   5.544  -6.275   0.770
  333    H    CYS  50           H        CYS  50   2.248  -4.059   0.925
  334    HA   CYS  50           HA       CYS  50   2.763  -1.146   0.697
  335    HB2  CYS  50           HB2      CYS  50   0.869  -2.644   2.525
  336    HB3  CYS  50           HB3      CYS  50   1.014  -0.895   2.351
  337    H    ILE  51           H        ILE  51   3.242   0.016   2.739
  338    HA   ILE  51           HA       ILE  51   5.257  -1.506   4.333
  339    HB   ILE  51           HB       ILE  51   5.103   1.445   3.634
  340   HG12  ILE  51          HG12      ILE  51   5.680   0.101   1.659
  341   HG13  ILE  51          HG13      ILE  51   7.052   1.064   2.220
  342   HG21  ILE  51          HG21      ILE  51   7.199  -0.156   5.147
  343   HG22  ILE  51          HG22      ILE  51   7.417   1.506   4.566
  344   HG23  ILE  51          HG23      ILE  51   6.178   1.155   5.781
  345   HD11  ILE  51          HD11      ILE  51   7.743  -1.190   1.574
  346   HD12  ILE  51          HD12      ILE  51   8.026  -0.930   3.306
  347   HD13  ILE  51          HD13      ILE  51   6.635  -1.909   2.760
  348    H    ASN  52           H        ASN  52   5.198  -1.421   6.532
  349    HA   ASN  52           HA       ASN  52   2.701  -0.835   7.772
  350    HB2  ASN  52           HB2      ASN  52   5.452  -1.411   8.948
  351    HB3  ASN  52           HB3      ASN  52   3.929  -1.477   9.844
  352   HD21  ASN  52          HD21      ASN  52   2.273  -3.067   9.104
  353   HD22  ASN  52          HD22      ASN  52   2.827  -4.548   8.344
  354    HA   PRO  53           HA       PRO  53   2.171  -0.394  10.103
  355    HB2  PRO  53           HB2      PRO  53   0.428   1.341  11.230
  356    HB3  PRO  53           HB3      PRO  53   2.096   1.155  11.859
  357    HG2  PRO  53           HG2      PRO  53   1.080   3.246   9.897
  358    HG3  PRO  53           HG3      PRO  53   1.983   3.522  11.422
  359    HD2  PRO  53           HD2      PRO  53   3.250   3.402   9.001
  360    HD3  PRO  53           HD3      PRO  53   3.993   2.700  10.476
  361    H    CYS  54           H        CYS  54  -0.183  -0.832   9.925
  362    HA   CYS  54           HA       CYS  54  -1.502   0.353   7.551
  363    HB2  CYS  54           HB2      CYS  54  -0.985  -2.581   8.057
  364    HB3  CYS  54           HB3      CYS  54  -2.165  -1.994   6.889
  365    HA   PRO  55           HA       PRO  55  -4.221  -0.277  11.341
  366    HB2  PRO  55           HB2      PRO  55  -5.168   2.275  11.545
  367    HB3  PRO  55           HB3      PRO  55  -3.574   1.783  12.204
  368    HG2  PRO  55           HG2      PRO  55  -4.141   3.053   9.500
  369    HG3  PRO  55           HG3      PRO  55  -2.980   3.610  10.754
  370    HD2  PRO  55           HD2      PRO  55  -2.133   2.064   8.718
  371    HD3  PRO  55           HD3      PRO  55  -1.550   1.748  10.376
  372    H    ARG  56           H        ARG  56  -6.624   0.174  11.504
  373    HA   ARG  56           HA       ARG  56  -8.015  -0.611   9.119
  374    HB2  ARG  56           HB2      ARG  56  -9.000   0.534  11.761
  375    HB3  ARG  56           HB3      ARG  56 -10.042  -0.193  10.532
  376    HG2  ARG  56           HG2      ARG  56  -7.797  -1.648  11.989
  377    HG3  ARG  56           HG3      ARG  56  -9.522  -1.750  12.389
  378    HD2  ARG  56           HD2      ARG  56  -9.994  -2.643  10.120
  379    HD3  ARG  56           HD3      ARG  56  -8.261  -2.579   9.748
  380    HE   ARG  56           HE       ARG  56  -7.854  -4.381  11.199
  381   HH11  ARG  56          HH11      ARG  56 -11.276  -3.485  11.197
  382   HH12  ARG  56          HH12      ARG  56 -11.785  -4.969  11.972
  383   HH21  ARG  56          HH21      ARG  56  -8.547  -6.296  12.223
  384   HH22  ARG  56          HH22      ARG  56 -10.244  -6.555  12.552
  385    H    CYS  57           H        CYS  57 -10.000   0.621   8.355
  386    HA   CYS  57           HA       CYS  57  -9.461   3.543   8.200
  387    HB2  CYS  57           HB2      CYS  57  -9.723   3.555   5.860
  388    HB3  CYS  57           HB3      CYS  57  -8.597   2.254   6.218
  Start of MODEL    5
    1    HA   PCA   1           HA       PCA   1 -16.501  -2.765  -0.954
    2    HB2  PCA   1           HB2      PCA   1 -18.558  -0.578  -0.496
    3    HB3  PCA   1           HB3      PCA   1 -18.406  -1.683  -1.907
    4    HG2  PCA   1           HG2      PCA   1 -19.294  -3.517  -0.673
    5    HG3  PCA   1           HG3      PCA   1 -20.167  -2.174   0.149
    6    H    ASN   2           H        ASN   2 -15.835  -0.790   1.698
    7    HA   ASN   2           HA       ASN   2 -14.817   1.511   0.230
    8    HB2  ASN   2           HB2      ASN   2 -14.197   2.346   2.411
    9    HB3  ASN   2           HB3      ASN   2 -15.855   1.725   2.461
   10   HD21  ASN   2          HD21      ASN   2 -12.485   1.112   3.408
   11   HD22  ASN   2          HD22      ASN   2 -12.844  -0.047   4.669
   12    H    CYS   3           H        CYS   3 -13.733  -1.445   0.048
   13    HA   CYS   3           HA       CYS   3 -10.894  -0.694  -0.066
   14    HB2  CYS   3           HB2      CYS   3 -10.341  -2.742   1.337
   15    HB3  CYS   3           HB3      CYS   3 -10.880  -1.303   2.196
   16    HA   PRO   4           HA       PRO   4 -11.889  -3.776  -3.301
   17    HB2  PRO   4           HB2      PRO   4 -10.492  -2.584  -5.317
   18    HB3  PRO   4           HB3      PRO   4 -12.109  -1.989  -4.810
   19    HG2  PRO   4           HG2      PRO   4  -9.388  -0.937  -3.970
   20    HG3  PRO   4           HG3      PRO   4 -10.801  -0.006  -4.571
   21    HD2  PRO   4           HD2      PRO   4 -10.250  -0.296  -1.916
   22    HD3  PRO   4           HD3      PRO   4 -11.929  -0.213  -2.526
   23    H    THR   5           H        THR   5 -10.203  -4.998  -4.702
   24    HA   THR   5           HA       THR   5  -7.682  -5.289  -3.121
   25    HB   THR   5           HB       THR   5  -9.204  -7.481  -4.579
   26    HG1  THR   5           HG1      THR   5  -9.853  -8.095  -2.523
   27   HG21  THR   5          HG21      THR   5  -7.725  -8.947  -3.217
   28   HG22  THR   5          HG22      THR   5  -6.782  -7.891  -4.293
   29   HG23  THR   5          HG23      THR   5  -6.913  -7.510  -2.561
   30    H    ARG   6           H        ARG   6  -5.888  -4.851  -4.267
   31    HA   ARG   6           HA       ARG   6  -5.723  -5.658  -7.116
   32    HB2  ARG   6           HB2      ARG   6  -5.042  -2.895  -6.017
   33    HB3  ARG   6           HB3      ARG   6  -4.604  -3.473  -7.626
   34    HG2  ARG   6           HG2      ARG   6  -7.474  -3.182  -6.620
   35    HG3  ARG   6           HG3      ARG   6  -6.603  -1.992  -7.598
   36    HD2  ARG   6           HD2      ARG   6  -6.259  -3.727  -9.358
   37    HD3  ARG   6           HD3      ARG   6  -7.269  -4.845  -8.434
   38    HE   ARG   6           HE       ARG   6  -8.126  -2.455  -9.935
   39   HH11  ARG   6          HH11      ARG   6  -9.077  -4.997  -7.653
   40   HH12  ARG   6          HH12      ARG   6 -10.783  -4.779  -7.962
   41   HH21  ARG   6          HH21      ARG   6 -10.351  -2.186 -10.285
   42   HH22  ARG   6          HH22      ARG   6 -11.499  -3.190  -9.431
   43    H    ARG   7           H        ARG   7  -3.722  -6.465  -7.611
   44    HA   ARG   7           HA       ARG   7  -1.465  -6.006  -5.714
   45    HB2  ARG   7           HB2      ARG   7  -2.489  -8.693  -6.699
   46    HB3  ARG   7           HB3      ARG   7  -0.941  -8.446  -5.884
   47    HG2  ARG   7           HG2      ARG   7  -3.668  -7.820  -4.675
   48    HG3  ARG   7           HG3      ARG   7  -2.686  -9.246  -4.330
   49    HD2  ARG   7           HD2      ARG   7  -0.838  -7.748  -3.551
   50    HD3  ARG   7           HD3      ARG   7  -1.899  -6.351  -3.750
   51    HE   ARG   7           HE       ARG   7  -2.133  -8.511  -1.741
   52   HH11  ARG   7          HH11      ARG   7  -3.414  -5.468  -3.037
   53   HH12  ARG   7          HH12      ARG   7  -4.372  -5.143  -1.609
   54   HH21  ARG   7          HH21      ARG   7  -3.398  -8.058   0.080
   55   HH22  ARG   7          HH22      ARG   7  -4.390  -6.619   0.132
   56    H    GLY   8           H        GLY   8  -2.668  -6.327  -8.932
   57    HA2  GLY   8           HA2      GLY   8  -0.074  -6.978 -10.140
   58    HA3  GLY   8           HA3      GLY   8  -1.621  -6.718 -10.971
   59    H    LEU   9           H        LEU   9  -0.836  -4.261  -8.662
   60    HA   LEU   9           HA       LEU   9  -0.944  -2.242 -10.659
   61    HB2  LEU   9           HB2      LEU   9   0.014  -2.177  -7.773
   62    HB3  LEU   9           HB3      LEU   9  -0.375  -0.744  -8.736
   63    HG   LEU   9           HG       LEU   9  -2.351  -2.978  -8.094
   64   HD11  LEU   9          HD11      LEU   9  -2.019  -0.210  -6.887
   65   HD12  LEU   9          HD12      LEU   9  -3.332  -1.352  -6.522
   66   HD13  LEU   9          HD13      LEU   9  -1.667  -1.758  -6.070
   67   HD21  LEU   9          HD21      LEU   9  -2.910  -1.729 -10.162
   68   HD22  LEU   9          HD22      LEU   9  -4.034  -1.325  -8.844
   69   HD23  LEU   9          HD23      LEU   9  -2.741  -0.194  -9.278
   70    H    CYS  10           H        CYS  10   1.750  -4.165  -9.587
   71    HA   CYS  10           HA       CYS  10   3.683  -2.122 -10.507
   72    HB2  CYS  10           HB2      CYS  10   4.015  -4.791  -9.120
   73    HB3  CYS  10           HB3      CYS  10   5.357  -3.775  -9.654
   74    H    VAL  11           H        VAL  11   1.791  -4.328 -12.071
   75    HA   VAL  11           HA       VAL  11   3.895  -5.590 -13.673
   76    HB   VAL  11           HB       VAL  11   0.857  -5.672 -13.893
   77   HG11  VAL  11          HG11      VAL  11   3.027  -7.358 -15.214
   78   HG12  VAL  11          HG12      VAL  11   1.287  -7.713 -15.260
   79   HG13  VAL  11          HG13      VAL  11   1.902  -6.245 -16.039
   80   HG21  VAL  11          HG21      VAL  11   1.730  -6.649 -11.782
   81   HG22  VAL  11          HG22      VAL  11   1.116  -7.912 -12.871
   82   HG23  VAL  11          HG23      VAL  11   2.864  -7.644 -12.727
   83    H    THR  12           H        THR  12   1.683  -2.827 -13.939
   84    HA   THR  12           HA       THR  12   3.108  -1.981 -16.365
   85    HB   THR  12           HB       THR  12   1.367  -3.527 -17.208
   86    HG1  THR  12           HG1      THR  12   0.532  -2.051 -18.693
   87   HG21  THR  12          HG21      THR  12  -0.344  -3.175 -15.440
   88   HG22  THR  12          HG22      THR  12  -0.626  -1.530 -16.057
   89   HG23  THR  12          HG23      THR  12  -1.008  -2.938 -17.070
   90    H    SER  13           H        SER  13   0.803  -1.342 -13.750
   91    HA   SER  13           HA       SER  13   0.368   1.423 -14.550
   92    HB2  SER  13           HB2      SER  13  -0.248  -0.142 -12.019
   93    HB3  SER  13           HB3      SER  13  -0.742   1.531 -12.317
   94    HG   SER  13           HG       SER  13  -2.369   0.026 -12.917
   95    H    GLY  14           H        GLY  14   2.713  -0.315 -12.699
   96    HA2  GLY  14           HA2      GLY  14   4.846   0.474 -12.144
   97    HA3  GLY  14           HA3      GLY  14   4.309   2.137 -12.377
   98    H    LEU  15           H        LEU  15   5.881   1.722 -10.280
   99    HA   LEU  15           HA       LEU  15   4.718   0.829  -7.864
  100    HB2  LEU  15           HB2      LEU  15   7.114   1.132  -8.166
  101    HB3  LEU  15           HB3      LEU  15   6.900   2.863  -8.480
  102    HG   LEU  15           HG       LEU  15   6.113   3.227  -6.186
  103   HD11  LEU  15          HD11      LEU  15   6.747   0.270  -5.793
  104   HD12  LEU  15          HD12      LEU  15   6.336   1.430  -4.501
  105   HD13  LEU  15          HD13      LEU  15   5.125   1.006  -5.725
  106   HD21  LEU  15          HD21      LEU  15   8.518   3.409  -6.703
  107   HD22  LEU  15          HD22      LEU  15   8.262   2.814  -5.053
  108   HD23  LEU  15          HD23      LEU  15   8.728   1.680  -6.342
  109    H    THR  16           H        THR  16   4.376   3.900  -9.603
  110    HA   THR  16           HA       THR  16   3.499   5.507  -7.421
  111    HB   THR  16           HB       THR  16   2.661   5.673 -10.338
  112    HG1  THR  16           HG1      THR  16   4.497   6.995 -10.514
  113   HG21  THR  16          HG21      THR  16   2.520   8.107  -9.833
  114   HG22  THR  16          HG22      THR  16   1.385   7.161  -8.844
  115   HG23  THR  16          HG23      THR  16   2.898   7.757  -8.125
  116    H    ALA  17           H        ALA  17   1.793   3.123  -9.473
  117    HA   ALA  17           HA       ALA  17  -0.813   3.912  -8.442
  118    HB1  ALA  17           HB1      ALA  17  -1.585   1.934  -9.719
  119    HB2  ALA  17           HB2      ALA  17  -0.553   2.999 -10.698
  120    HB3  ALA  17           HB3      ALA  17   0.104   1.479 -10.030
  121    H    CYS  18           H        CYS  18   1.668   1.469  -7.709
  122    HA   CYS  18           HA       CYS  18   0.072  -0.026  -5.830
  123    HB2  CYS  18           HB2      CYS  18   2.067  -0.936  -6.901
  124    HB3  CYS  18           HB3      CYS  18   3.068   0.342  -6.207
  125    H    ARG  19           H        ARG  19   1.992   2.957  -5.671
  126    HA   ARG  19           HA       ARG  19   1.957   3.078  -2.765
  127    HB2  ARG  19           HB2      ARG  19   3.669   4.057  -4.434
  128    HB3  ARG  19           HB3      ARG  19   2.485   5.345  -4.715
  129    HG2  ARG  19           HG2      ARG  19   2.502   5.840  -2.253
  130    HG3  ARG  19           HG3      ARG  19   3.714   4.562  -2.032
  131    HD2  ARG  19           HD2      ARG  19   5.227   5.779  -3.612
  132    HD3  ARG  19           HD3      ARG  19   4.012   7.065  -3.732
  133    HE   ARG  19           HE       ARG  19   5.106   6.308  -1.065
  134   HH11  ARG  19          HH11      ARG  19   4.869   8.691  -3.669
  135   HH12  ARG  19          HH12      ARG  19   5.494   9.997  -2.684
  136   HH21  ARG  19          HH21      ARG  19   5.896   8.028   0.192
  137   HH22  ARG  19          HH22      ARG  19   6.076   9.621  -0.502
  138    H    ASN  20           H        ASN  20  -0.048   4.287  -5.422
  139    HA   ASN  20           HA       ASN  20  -1.619   6.034  -3.698
  140    HB2  ASN  20           HB2      ASN  20  -2.054   4.959  -6.511
  141    HB3  ASN  20           HB3      ASN  20  -3.115   6.128  -5.723
  142   HD21  ASN  20          HD21      ASN  20  -1.980   6.868  -8.093
  143   HD22  ASN  20          HD22      ASN  20  -0.733   8.068  -7.816
  144    H    HIS  21           H        HIS  21  -1.618   2.619  -4.422
  145    HA   HIS  21           HA       HIS  21  -4.394   2.239  -3.549
  146    HB2  HIS  21           HB2      HIS  21  -3.400   0.885  -5.336
  147    HB3  HIS  21           HB3      HIS  21  -2.135   0.330  -4.235
  148    HD1  HIS  21           HD1      HIS  21  -6.000   0.048  -4.560
  149    HD2  HIS  21           HD2      HIS  21  -2.644  -1.834  -2.861
  150    HE1  HIS  21           HE1      HIS  21  -6.822  -2.159  -3.571
  151    H    CYS  22           H        CYS  22  -1.098   1.970  -2.243
  152    HA   CYS  22           HA       CYS  22  -1.995   0.704   0.226
  153    HB2  CYS  22           HB2      CYS  22   0.600   1.962  -0.669
  154    HB3  CYS  22           HB3      CYS  22   0.378   1.237   0.924
  155    H    ARG  23           H        ARG  23  -1.642   4.023  -0.924
  156    HA   ARG  23           HA       ARG  23  -1.789   5.082   1.825
  157    HB2  ARG  23           HB2      ARG  23  -1.586   6.419  -0.892
  158    HB3  ARG  23           HB3      ARG  23  -1.773   7.302   0.636
  159    HG2  ARG  23           HG2      ARG  23   0.250   6.177   1.535
  160    HG3  ARG  23           HG3      ARG  23   0.503   5.383  -0.025
  161    HD2  ARG  23           HD2      ARG  23   0.429   8.389   0.465
  162    HD3  ARG  23           HD3      ARG  23   1.893   7.420   0.228
  163    HE   ARG  23           HE       ARG  23   0.252   6.950  -2.003
  164   HH11  ARG  23          HH11      ARG  23   1.935   9.669  -0.504
  165   HH12  ARG  23          HH12      ARG  23   2.152  10.526  -2.013
  166   HH21  ARG  23          HH21      ARG  23   0.539   8.111  -3.977
  167   HH22  ARG  23          HH22      ARG  23   1.380   9.637  -3.964
  168    H    SER  24           H        SER  24  -3.985   3.571   0.070
  169    HA   SER  24           HA       SER  24  -6.191   5.184   1.223
  170    HB2  SER  24           HB2      SER  24  -7.574   4.655  -0.733
  171    HB3  SER  24           HB3      SER  24  -6.135   5.573  -1.226
  172    HG   SER  24           HG       SER  24  -6.506   3.772  -2.575
  173    H    CYS  25           H        CYS  25  -8.246   3.666   1.328
  174    HA   CYS  25           HA       CYS  25  -7.340   1.392   2.859
  175    HB2  CYS  25           HB2      CYS  25 -10.162   2.149   2.055
  176    HB3  CYS  25           HB3      CYS  25  -9.677   1.008   3.313
  177    H    HIS  26           H        HIS  26  -7.232  -0.725   2.333
  178    HA   HIS  26           HA       HIS  26  -8.420  -1.712  -0.187
  179    HB2  HIS  26           HB2      HIS  26  -6.167  -2.687  -0.784
  180    HB3  HIS  26           HB3      HIS  26  -6.254  -0.916  -0.905
  181    HD1  HIS  26           HD1      HIS  26  -4.614   0.445   0.602
  182    HD2  HIS  26           HD2      HIS  26  -4.835  -3.671   1.468
  183    HE1  HIS  26           HE1      HIS  26  -2.778  -0.034   2.339
  184    HE2  HIS  26           HE2      HIS  26  -2.941  -2.545   2.869
  185    H    ARG  27           H        ARG  27  -8.002  -4.138  -0.361
  186    HA   ARG  27           HA       ARG  27  -8.816  -5.321   2.137
  187    HB2  ARG  27           HB2      ARG  27  -9.711  -5.979  -0.093
  188    HB3  ARG  27           HB3      ARG  27  -8.106  -6.586  -0.535
  189    HG2  ARG  27           HG2      ARG  27  -9.577  -8.430   0.154
  190    HG3  ARG  27           HG3      ARG  27  -8.223  -8.260   1.284
  191    HD2  ARG  27           HD2      ARG  27  -9.695  -6.994   2.841
  192    HD3  ARG  27           HD3      ARG  27 -11.050  -7.213   1.710
  193    HE   ARG  27           HE       ARG  27  -9.857  -9.741   2.369
  194   HH11  ARG  27          HH11      ARG  27 -11.936  -7.224   3.732
  195   HH12  ARG  27          HH12      ARG  27 -12.764  -8.331   4.804
  196   HH21  ARG  27          HH21      ARG  27 -10.954 -11.149   3.774
  197   HH22  ARG  27          HH22      ARG  27 -12.205 -10.535   4.835
  198    H    GLY  28           H        GLY  28  -7.713  -6.644   3.513
  199    HA2  GLY  28           HA2      GLY  28  -4.797  -7.077   3.018
  200    HA3  GLY  28           HA3      GLY  28  -5.529  -6.815   4.609
  201    H    ASP  29           H        ASP  29  -4.248  -8.915   4.931
  202    HA   ASP  29           HA       ASP  29  -5.431 -11.322   3.757
  203    HB2  ASP  29           HB2      ASP  29  -3.258 -10.887   5.833
  204    HB3  ASP  29           HB3      ASP  29  -3.702 -12.456   5.152
  205    H    VAL  30           H        VAL  30  -6.116  -9.370   6.500
  206    HA   VAL  30           HA       VAL  30  -7.728 -11.598   7.668
  207    HB   VAL  30           HB       VAL  30  -6.117  -9.506   9.195
  208   HG11  VAL  30          HG11      VAL  30  -6.732 -10.883  11.178
  209   HG12  VAL  30          HG12      VAL  30  -8.143 -10.122  10.428
  210   HG13  VAL  30          HG13      VAL  30  -7.814 -11.854  10.152
  211   HG21  VAL  30          HG21      VAL  30  -5.714 -12.510   8.868
  212   HG22  VAL  30          HG22      VAL  30  -4.653 -11.231   8.222
  213   HG23  VAL  30          HG23      VAL  30  -4.796 -11.460   9.974
  214    H    GLY  31           H        GLY  31  -7.531  -8.300   6.572
  215    HA2  GLY  31           HA2      GLY  31 -10.306  -7.862   6.595
  216    HA3  GLY  31           HA3      GLY  31  -9.639  -7.121   8.062
  217    H    CYS  32           H        CYS  32 -10.658  -5.249   6.501
  218    HA   CYS  32           HA       CYS  32  -8.731  -4.405   4.462
  219    HB2  CYS  32           HB2      CYS  32 -11.304  -3.173   5.477
  220    HB3  CYS  32           HB3      CYS  32 -10.271  -2.462   4.224
  221    H    VAL  33           H        VAL  33  -7.392  -2.681   4.486
  222    HA   VAL  33           HA       VAL  33  -7.020  -1.146   6.983
  223    HB   VAL  33           HB       VAL  33  -4.639  -1.738   7.095
  224   HG11  VAL  33          HG11      VAL  33  -4.825  -3.990   7.995
  225   HG12  VAL  33          HG12      VAL  33  -6.244  -3.039   8.465
  226   HG13  VAL  33          HG13      VAL  33  -6.370  -4.241   7.157
  227   HG21  VAL  33          HG21      VAL  33  -3.737  -3.635   5.823
  228   HG22  VAL  33          HG22      VAL  33  -5.280  -3.808   4.948
  229   HG23  VAL  33          HG23      VAL  33  -4.289  -2.346   4.731
  230    H    ARG  34           H        ARG  34  -5.237   0.464   6.699
  231    HA   ARG  34           HA       ARG  34  -4.653   1.223   3.887
  232    HB2  ARG  34           HB2      ARG  34  -5.090   3.585   4.430
  233    HB3  ARG  34           HB3      ARG  34  -6.563   2.599   4.589
  234    HG2  ARG  34           HG2      ARG  34  -6.223   2.499   7.053
  235    HG3  ARG  34           HG3      ARG  34  -4.782   3.530   6.882
  236    HD2  ARG  34           HD2      ARG  34  -6.164   5.311   5.902
  237    HD3  ARG  34           HD3      ARG  34  -7.608   4.290   6.029
  238    HE   ARG  34           HE       ARG  34  -6.376   4.511   8.598
  239   HH11  ARG  34          HH11      ARG  34  -8.224   6.422   6.268
  240   HH12  ARG  34          HH12      ARG  34  -8.932   7.451   7.496
  241   HH21  ARG  34          HH21      ARG  34  -7.307   5.863  10.174
  242   HH22  ARG  34          HH22      ARG  34  -8.410   7.137   9.700
  243    H    CYS  35           H        CYS  35  -2.586   2.297   3.688
  244    HA   CYS  35           HA       CYS  35  -0.887   1.913   6.117
  245    HB2  CYS  35           HB2      CYS  35  -0.240   1.184   3.258
  246    HB3  CYS  35           HB3      CYS  35   0.813   0.969   4.656
  247    H    SER  36           H        SER  36   1.525   2.678   5.176
  248    HA   SER  36           HA       SER  36   1.075   5.594   4.871
  249    HB2  SER  36           HB2      SER  36   2.178   4.657   6.919
  250    HB3  SER  36           HB3      SER  36   3.502   4.082   5.894
  251    HG   SER  36           HG       SER  36   3.910   6.161   6.801
  252    H    ASN  37           H        ASN  37   2.965   2.879   3.489
  253    HA   ASN  37           HA       ASN  37   3.534   4.508   1.110
  254    HB2  ASN  37           HB2      ASN  37   5.340   4.937   2.884
  255    HB3  ASN  37           HB3      ASN  37   5.831   3.253   2.671
  256   HD21  ASN  37          HD21      ASN  37   7.902   4.448   2.100
  257   HD22  ASN  37          HD22      ASN  37   8.109   4.912   0.425
  258    H    ALA  38           H        ALA  38   5.223   2.865  -0.281
  259    HA   ALA  38           HA       ALA  38   4.281   0.094  -0.035
  260    HB1  ALA  38           HB1      ALA  38   3.233   0.072  -2.238
  261    HB2  ALA  38           HB2      ALA  38   2.470   1.336  -1.244
  262    HB3  ALA  38           HB3      ALA  38   3.656   1.783  -2.488
  263    H    GLN  39           H        GLN  39   5.174  -1.298  -1.747
  264    HA   GLN  39           HA       GLN  39   7.317  -0.279  -3.445
  265    HB2  GLN  39           HB2      GLN  39   9.002  -1.835  -2.618
  266    HB3  GLN  39           HB3      GLN  39   8.535  -0.694  -1.346
  267    HG2  GLN  39           HG2      GLN  39   7.111  -2.368  -0.295
  268    HG3  GLN  39           HG3      GLN  39   7.402  -3.510  -1.625
  269   HE21  GLN  39          HE21      GLN  39   9.355  -1.516   0.700
  270   HE22  GLN  39          HE22      GLN  39  10.529  -2.776   1.010
  271    H    CYS  40           H        CYS  40   8.097  -2.053  -4.912
  272    HA   CYS  40           HA       CYS  40   5.879  -3.946  -5.486
  273    HB2  CYS  40           HB2      CYS  40   8.249  -3.026  -7.130
  274    HB3  CYS  40           HB3      CYS  40   7.053  -4.214  -7.655
  275    H    THR  41           H        THR  41   6.213  -6.159  -5.671
  276    HA   THR  41           HA       THR  41   8.799  -7.254  -4.697
  277    HB   THR  41           HB       THR  41   7.570  -8.685  -3.110
  278    HG1  THR  41           HG1      THR  41   5.396  -8.194  -2.705
  279   HG21  THR  41          HG21      THR  41   8.513  -6.523  -2.330
  280   HG22  THR  41          HG22      THR  41   6.953  -5.733  -2.667
  281   HG23  THR  41          HG23      THR  41   7.058  -6.999  -1.424
  282    H    GLY  42           H        GLY  42   8.430  -9.821  -4.599
  283    HA2  GLY  42           HA2      GLY  42   7.917 -11.772  -5.713
  284    HA3  GLY  42           HA3      GLY  42   6.749 -10.901  -6.712
  285    H    PHE  43           H        PHE  43   8.146 -12.736  -8.048
  286    HA   PHE  43           HA       PHE  43  10.661 -11.861  -9.089
  287    HB2  PHE  43           HB2      PHE  43   9.816 -14.188  -9.183
  288    HB3  PHE  43           HB3      PHE  43   8.584 -13.681 -10.343
  289    HD1  PHE  43           HD1      PHE  43   9.205 -13.102 -12.658
  290    HD2  PHE  43           HD2      PHE  43  12.168 -14.358  -9.804
  291    HE1  PHE  43           HE1      PHE  43  10.822 -13.472 -14.499
  292    HE2  PHE  43           HE2      PHE  43  13.785 -14.730 -11.647
  293    HZ   PHE  43           HZ       PHE  43  13.111 -14.291 -13.996
  294    H    LEU  44           H        LEU  44  11.175 -10.751 -10.962
  295    HA   LEU  44           HA       LEU  44  11.014  -9.038 -12.392
  296    HB2  LEU  44           HB2      LEU  44   9.933 -10.970 -13.603
  297    HB3  LEU  44           HB3      LEU  44   8.364 -10.284 -13.197
  298    HG   LEU  44           HG       LEU  44   8.963  -8.222 -14.504
  299   HD11  LEU  44          HD11      LEU  44  11.482  -9.831 -15.125
  300   HD12  LEU  44          HD12      LEU  44  10.978  -8.349 -15.973
  301   HD13  LEU  44          HD13      LEU  44  11.410  -8.282 -14.252
  302   HD21  LEU  44          HD21      LEU  44   7.785 -10.112 -15.569
  303   HD22  LEU  44          HD22      LEU  44   8.872  -9.293 -16.711
  304   HD23  LEU  44          HD23      LEU  44   9.354 -10.848 -15.989
  305    H    GLY  45           H        GLY  45   9.396  -8.887  -9.666
  306    HA2  GLY  45           HA2      GLY  45   8.481  -7.140  -8.525
  307    HA3  GLY  45           HA3      GLY  45   8.785  -6.104  -9.928
  308    H    THR  46           H        THR  46   6.798  -9.015 -10.331
  309    HA   THR  46           HA       THR  46   4.676  -7.352 -11.344
  310    HB   THR  46           HB       THR  46   3.579  -9.554 -11.834
  311    HG1  THR  46           HG1      THR  46   4.851 -11.395 -11.424
  312   HG21  THR  46          HG21      THR  46   5.103  -8.503 -13.444
  313   HG22  THR  46          HG22      THR  46   6.499  -9.272 -12.651
  314   HG23  THR  46          HG23      THR  46   5.279 -10.273 -13.472
  315    H    THR  47           H        THR  47   5.280  -7.694  -8.195
  316    HA   THR  47           HA       THR  47   2.373  -7.896  -7.537
  317    HB   THR  47           HB       THR  47   4.686  -8.924  -5.857
  318    HG1  THR  47           HG1      THR  47   4.247 -10.204  -7.692
  319   HG21  THR  47          HG21      THR  47   1.667  -9.081  -5.515
  320   HG22  THR  47          HG22      THR  47   2.841  -9.997  -4.542
  321   HG23  THR  47          HG23      THR  47   2.819  -8.230  -4.452
  322    H    CYS  48           H        CYS  48   1.635  -6.606  -5.823
  323    HA   CYS  48           HA       CYS  48   3.378  -4.277  -5.152
  324    HB2  CYS  48           HB2      CYS  48   1.483  -3.627  -6.489
  325    HB3  CYS  48           HB3      CYS  48   0.391  -4.600  -5.506
  326    H    THR  49           H        THR  49   3.657  -3.703  -3.049
  327    HA   THR  49           HA       THR  49   2.168  -5.145  -0.920
  328    HB   THR  49           HB       THR  49   5.194  -5.006  -1.178
  329    HG1  THR  49           HG1      THR  49   4.222  -6.664  -2.367
  330   HG21  THR  49          HG21      THR  49   4.593  -4.725   1.171
  331   HG22  THR  49          HG22      THR  49   3.417  -6.061   1.060
  332   HG23  THR  49          HG23      THR  49   5.157  -6.389   0.925
  333    H    CYS  50           H        CYS  50   2.059  -3.999   1.051
  334    HA   CYS  50           HA       CYS  50   2.665  -1.108   0.750
  335    HB2  CYS  50           HB2      CYS  50   0.748  -2.516   2.622
  336    HB3  CYS  50           HB3      CYS  50   0.941  -0.769   2.412
  337    H    ILE  51           H        ILE  51   3.153   0.075   2.771
  338    HA   ILE  51           HA       ILE  51   5.168  -1.425   4.383
  339    HB   ILE  51           HB       ILE  51   5.052   1.490   3.550
  340   HG12  ILE  51          HG12      ILE  51   5.631   0.045   1.661
  341   HG13  ILE  51          HG13      ILE  51   7.016   1.013   2.169
  342   HG21  ILE  51          HG21      ILE  51   7.119  -0.027   5.189
  343   HG22  ILE  51          HG22      ILE  51   7.382   1.577   4.469
  344   HG23  ILE  51          HG23      ILE  51   6.116   1.362   5.689
  345   HD11  ILE  51          HD11      ILE  51   6.554  -1.920   2.855
  346   HD12  ILE  51          HD12      ILE  51   7.685  -1.271   1.650
  347   HD13  ILE  51          HD13      ILE  51   7.953  -0.937   3.374
  348    H    ASN  52           H        ASN  52   5.231  -1.125   6.594
  349    HA   ASN  52           HA       ASN  52   2.733  -0.483   7.848
  350    HB2  ASN  52           HB2      ASN  52   5.509  -1.048   8.955
  351    HB3  ASN  52           HB3      ASN  52   4.063  -0.922   9.956
  352   HD21  ASN  52          HD21      ASN  52   5.392  -3.230  10.192
  353   HD22  ASN  52          HD22      ASN  52   4.570  -4.528   9.355
  354    HA   PRO  53           HA       PRO  53   2.286   0.096  10.185
  355    HB2  PRO  53           HB2      PRO  53   0.497   1.894  11.145
  356    HB3  PRO  53           HB3      PRO  53   2.162   1.772  11.810
  357    HG2  PRO  53           HG2      PRO  53   1.145   3.696   9.690
  358    HG3  PRO  53           HG3      PRO  53   2.042   4.095  11.196
  359    HD2  PRO  53           HD2      PRO  53   3.329   3.807   8.813
  360    HD3  PRO  53           HD3      PRO  53   4.055   3.204  10.336
  361    H    CYS  54           H        CYS  54   0.017  -0.532   9.980
  362    HA   CYS  54           HA       CYS  54  -1.402   0.498   7.591
  363    HB2  CYS  54           HB2      CYS  54  -0.644  -2.364   8.190
  364    HB3  CYS  54           HB3      CYS  54  -1.941  -1.942   7.080
  365    HA   PRO  55           HA       PRO  55  -4.052  -0.074  11.429
  366    HB2  PRO  55           HB2      PRO  55  -5.328   2.360  11.264
  367    HB3  PRO  55           HB3      PRO  55  -3.771   2.102  12.113
  368    HG2  PRO  55           HG2      PRO  55  -4.197   3.077   9.264
  369    HG3  PRO  55           HG3      PRO  55  -3.168   3.817  10.544
  370    HD2  PRO  55           HD2      PRO  55  -2.080   2.204   8.689
  371    HD3  PRO  55           HD3      PRO  55  -1.586   2.048  10.403
  372    H    ARG  56           H        ARG  56  -6.424  -0.194  11.502
  373    HA   ARG  56           HA       ARG  56  -7.397  -1.375   9.042
  374    HB2  ARG  56           HB2      ARG  56  -8.731  -0.907  11.728
  375    HB3  ARG  56           HB3      ARG  56  -9.412  -1.872  10.398
  376    HG2  ARG  56           HG2      ARG  56  -7.406  -3.347  10.462
  377    HG3  ARG  56           HG3      ARG  56  -6.795  -2.440  11.858
  378    HD2  ARG  56           HD2      ARG  56  -9.447  -3.926  11.729
  379    HD3  ARG  56           HD3      ARG  56  -7.972  -4.526  12.517
  380    HE   ARG  56           HE       ARG  56  -8.483  -2.014  13.651
  381   HH11  ARG  56          HH11      ARG  56 -10.086  -5.164  13.472
  382   HH12  ARG  56          HH12      ARG  56 -10.919  -4.947  14.993
  383   HH21  ARG  56          HH21      ARG  56  -9.572  -1.770  15.627
  384   HH22  ARG  56          HH22      ARG  56 -10.623  -3.038  16.212
  385    H    CYS  57           H        CYS  57  -9.449  -0.934   8.045
  386    HA   CYS  57           HA       CYS  57 -10.559   1.778   8.335
  387    HB2  CYS  57           HB2      CYS  57  -8.708   2.049   6.757
  388    HB3  CYS  57           HB3      CYS  57  -9.310   0.707   5.783
  Start of MODEL    6
    1    HA   PCA   1           HA       PCA   1 -17.291   0.243  -1.516
    2    HB2  PCA   1           HB2      PCA   1 -14.879  -1.518  -2.071
    3    HB3  PCA   1           HB3      PCA   1 -16.457  -1.988  -1.343
    4    HG2  PCA   1           HG2      PCA   1 -17.556  -1.870  -3.451
    5    HG3  PCA   1           HG3      PCA   1 -15.923  -2.370  -4.012
    6    H    ASN   2           H        ASN   2 -16.163  -0.158   0.658
    7    HA   ASN   2           HA       ASN   2 -14.456   2.075   1.297
    8    HB2  ASN   2           HB2      ASN   2 -16.112   1.204   2.867
    9    HB3  ASN   2           HB3      ASN   2 -15.353  -0.389   2.836
   10   HD21  ASN   2          HD21      ASN   2 -13.610  -0.832   4.145
   11   HD22  ASN   2          HD22      ASN   2 -12.912   0.331   5.250
   12    H    CYS   3           H        CYS   3 -13.891  -1.212   0.256
   13    HA   CYS   3           HA       CYS   3 -11.006  -0.774   0.250
   14    HB2  CYS   3           HB2      CYS   3 -10.724  -3.009   1.545
   15    HB3  CYS   3           HB3      CYS   3 -10.923  -1.495   2.422
   16    HA   PRO   4           HA       PRO   4 -12.312  -3.613  -3.123
   17    HB2  PRO   4           HB2      PRO   4 -10.968  -2.390  -5.120
   18    HB3  PRO   4           HB3      PRO   4 -12.529  -1.738  -4.514
   19    HG2  PRO   4           HG2      PRO   4  -9.729  -0.872  -3.724
   20    HG3  PRO   4           HG3      PRO   4 -11.095   0.169  -4.264
   21    HD2  PRO   4           HD2      PRO   4 -10.540  -0.246  -1.619
   22    HD3  PRO   4           HD3      PRO   4 -12.225  -0.103  -2.205
   23    H    THR   5           H        THR   5 -10.718  -4.795  -4.653
   24    HA   THR   5           HA       THR   5  -8.077  -5.158  -3.294
   25    HB   THR   5           HB       THR   5  -9.757  -7.288  -4.669
   26    HG1  THR   5           HG1      THR   5 -10.112  -8.001  -2.554
   27   HG21  THR   5          HG21      THR   5  -8.136  -8.825  -3.579
   28   HG22  THR   5          HG22      THR   5  -7.326  -7.727  -4.717
   29   HG23  THR   5          HG23      THR   5  -7.228  -7.426  -2.966
   30    H    ARG   6           H        ARG   6  -6.303  -5.067  -4.598
   31    HA   ARG   6           HA       ARG   6  -6.633  -5.278  -7.539
   32    HB2  ARG   6           HB2      ARG   6  -5.345  -2.964  -6.043
   33    HB3  ARG   6           HB3      ARG   6  -5.193  -3.231  -7.784
   34    HG2  ARG   6           HG2      ARG   6  -7.838  -2.753  -6.345
   35    HG3  ARG   6           HG3      ARG   6  -6.895  -1.518  -7.189
   36    HD2  ARG   6           HD2      ARG   6  -7.048  -2.873  -9.284
   37    HD3  ARG   6           HD3      ARG   6  -8.097  -4.019  -8.446
   38    HE   ARG   6           HE       ARG   6  -8.747  -1.243  -9.260
   39   HH11  ARG   6          HH11      ARG   6  -9.803  -4.185  -7.581
   40   HH12  ARG   6          HH12      ARG   6 -11.496  -3.760  -7.680
   41   HH21  ARG   6          HH21      ARG   6 -10.951  -0.719  -9.337
   42   HH22  ARG   6          HH22      ARG   6 -12.140  -1.794  -8.636
   43    H    ARG   7           H        ARG   7  -4.781  -5.965  -8.596
   44    HA   ARG   7           HA       ARG   7  -2.277  -6.442  -7.075
   45    HB2  ARG   7           HB2      ARG   7  -3.886  -8.529  -8.601
   46    HB3  ARG   7           HB3      ARG   7  -2.210  -8.755  -8.103
   47    HG2  ARG   7           HG2      ARG   7  -4.473  -8.246  -6.123
   48    HG3  ARG   7           HG3      ARG   7  -3.967  -9.846  -6.662
   49    HD2  ARG   7           HD2      ARG   7  -2.826  -9.538  -4.643
   50    HD3  ARG   7           HD3      ARG   7  -1.608  -9.258  -5.902
   51    HE   ARG   7           HE       ARG   7  -2.979  -6.845  -4.983
   52   HH11  ARG   7          HH11      ARG   7  -0.247  -9.022  -4.359
   53   HH12  ARG   7          HH12      ARG   7   0.659  -7.789  -3.506
   54   HH21  ARG   7          HH21      ARG   7  -1.780  -5.310  -3.819
   55   HH22  ARG   7          HH22      ARG   7  -0.194  -5.726  -3.196
   56    H    GLY   8           H        GLY   8  -0.484  -6.977  -8.554
   57    HA2  GLY   8           HA2      GLY   8   0.730  -6.793 -10.489
   58    HA3  GLY   8           HA3      GLY   8  -0.789  -6.839 -11.402
   59    H    LEU   9           H        LEU   9  -0.645  -4.341  -8.995
   60    HA   LEU   9           HA       LEU   9  -1.056  -2.262 -10.863
   61    HB2  LEU   9           HB2      LEU   9  -0.048  -2.260  -7.994
   62    HB3  LEU   9           HB3      LEU   9  -0.511  -0.795  -8.870
   63    HG   LEU   9           HG       LEU   9  -2.384  -3.148  -8.385
   64   HD11  LEU   9          HD11      LEU   9  -2.138  -0.469  -6.961
   65   HD12  LEU   9          HD12      LEU   9  -3.411  -1.681  -6.676
   66   HD13  LEU   9          HD13      LEU   9  -1.717  -2.056  -6.273
   67   HD21  LEU   9          HD21      LEU   9  -4.129  -1.480  -9.001
   68   HD22  LEU   9          HD22      LEU   9  -2.862  -0.287  -9.347
   69   HD23  LEU   9          HD23      LEU   9  -2.996  -1.757 -10.339
   70    H    CYS  10           H        CYS  10   1.957  -3.691  -9.709
   71    HA   CYS  10           HA       CYS  10   3.496  -1.352 -10.531
   72    HB2  CYS  10           HB2      CYS  10   3.899  -2.871  -8.504
   73    HB3  CYS  10           HB3      CYS  10   4.625  -4.006  -9.642
   74    H    VAL  11           H        VAL  11   1.970  -3.527 -12.356
   75    HA   VAL  11           HA       VAL  11   4.179  -3.649 -14.370
   76    HB   VAL  11           HB       VAL  11   1.907  -5.635 -13.951
   77   HG11  VAL  11          HG11      VAL  11   4.359  -5.688 -15.762
   78   HG12  VAL  11          HG12      VAL  11   3.228  -7.034 -15.534
   79   HG13  VAL  11          HG13      VAL  11   2.661  -5.535 -16.291
   80   HG21  VAL  11          HG21      VAL  11   3.517  -5.806 -12.109
   81   HG22  VAL  11          HG22      VAL  11   3.708  -7.177 -13.211
   82   HG23  VAL  11          HG23      VAL  11   4.873  -5.834 -13.271
   83    H    THR  12           H        THR  12   0.832  -2.798 -13.639
   84    HA   THR  12           HA       THR  12   0.315  -2.288 -16.525
   85    HB   THR  12           HB       THR  12  -2.050  -2.085 -15.793
   86    HG1  THR  12           HG1      THR  12  -2.517  -2.708 -13.663
   87   HG21  THR  12          HG21      THR  12  -2.398  -4.463 -15.309
   88   HG22  THR  12          HG22      THR  12  -1.120  -4.275 -16.527
   89   HG23  THR  12          HG23      THR  12  -0.693  -4.646 -14.836
   90    H    SER  13           H        SER  13   1.033  -0.669 -13.531
   91    HA   SER  13           HA       SER  13   0.596   1.953 -14.864
   92    HB2  SER  13           HB2      SER  13  -0.508   0.986 -12.210
   93    HB3  SER  13           HB3      SER  13  -0.293   2.702 -12.594
   94    HG   SER  13           HG       SER  13  -2.395   1.909 -13.131
   95    H    GLY  14           H        GLY  14   2.351  -0.095 -12.624
   96    HA2  GLY  14           HA2      GLY  14   4.655   0.248 -12.164
   97    HA3  GLY  14           HA3      GLY  14   4.460   1.983 -12.433
   98    H    LEU  15           H        LEU  15   5.810   1.742 -10.322
   99    HA   LEU  15           HA       LEU  15   4.669   0.858  -7.904
  100    HB2  LEU  15           HB2      LEU  15   7.047   1.246  -8.190
  101    HB3  LEU  15           HB3      LEU  15   6.771   2.956  -8.555
  102    HG   LEU  15           HG       LEU  15   5.952   3.337  -6.259
  103   HD11  LEU  15          HD11      LEU  15   5.071   1.063  -5.742
  104   HD12  LEU  15          HD12      LEU  15   6.734   0.422  -5.779
  105   HD13  LEU  15          HD13      LEU  15   6.247   1.590  -4.532
  106   HD21  LEU  15          HD21      LEU  15   8.341   3.619  -6.793
  107   HD22  LEU  15          HD22      LEU  15   8.114   3.055  -5.122
  108   HD23  LEU  15          HD23      LEU  15   8.643   1.916  -6.388
  109    H    THR  16           H        THR  16   4.169   3.870  -9.693
  110    HA   THR  16           HA       THR  16   3.319   5.489  -7.524
  111    HB   THR  16           HB       THR  16   2.343   5.595 -10.400
  112    HG1  THR  16           HG1      THR  16   4.167   6.910 -10.703
  113   HG21  THR  16          HG21      THR  16   2.242   8.036  -9.937
  114   HG22  THR  16          HG22      THR  16   1.153   7.115  -8.873
  115   HG23  THR  16          HG23      THR  16   2.701   7.722  -8.248
  116    H    ALA  17           H        ALA  17   1.553   3.063  -9.494
  117    HA   ALA  17           HA       ALA  17  -1.018   3.831  -8.318
  118    HB1  ALA  17           HB1      ALA  17  -0.879   3.024 -10.613
  119    HB2  ALA  17           HB2      ALA  17  -0.181   1.484 -10.053
  120    HB3  ALA  17           HB3      ALA  17  -1.856   1.913  -9.623
  121    H    CYS  18           H        CYS  18   1.541   1.426  -7.761
  122    HA   CYS  18           HA       CYS  18   0.036  -0.184  -5.908
  123    HB2  CYS  18           HB2      CYS  18   2.009  -1.031  -7.030
  124    HB3  CYS  18           HB3      CYS  18   2.996   0.287  -6.387
  125    H    ARG  19           H        ARG  19   1.926   2.822  -5.683
  126    HA   ARG  19           HA       ARG  19   1.932   2.839  -2.778
  127    HB2  ARG  19           HB2      ARG  19   3.653   3.892  -4.325
  128    HB3  ARG  19           HB3      ARG  19   2.451   5.135  -4.717
  129    HG2  ARG  19           HG2      ARG  19   2.308   5.746  -2.314
  130    HG3  ARG  19           HG3      ARG  19   3.467   4.460  -1.917
  131    HD2  ARG  19           HD2      ARG  19   5.160   5.556  -3.366
  132    HD3  ARG  19           HD3      ARG  19   4.024   6.862  -3.716
  133    HE   ARG  19           HE       ARG  19   5.307   6.270  -1.088
  134   HH11  ARG  19          HH11      ARG  19   3.406   8.470  -3.109
  135   HH12  ARG  19          HH12      ARG  19   3.543   9.803  -1.980
  136   HH21  ARG  19          HH21      ARG  19   5.473   8.016   0.346
  137   HH22  ARG  19          HH22      ARG  19   4.711   9.541  -0.027
  138    H    ASN  20           H        ASN  20  -0.046   4.262  -5.368
  139    HA   ASN  20           HA       ASN  20  -1.621   5.898  -3.575
  140    HB2  ASN  20           HB2      ASN  20  -2.107   4.879  -6.400
  141    HB3  ASN  20           HB3      ASN  20  -3.175   6.002  -5.559
  142   HD21  ASN  20          HD21      ASN  20  -2.119   6.818  -7.929
  143   HD22  ASN  20          HD22      ASN  20  -0.881   8.033  -7.670
  144    H    HIS  21           H        HIS  21  -1.701   2.491  -4.498
  145    HA   HIS  21           HA       HIS  21  -4.430   2.105  -3.540
  146    HB2  HIS  21           HB2      HIS  21  -3.440   0.753  -5.336
  147    HB3  HIS  21           HB3      HIS  21  -2.200   0.159  -4.218
  148    HD1  HIS  21           HD1      HIS  21  -6.066  -0.006  -4.561
  149    HD2  HIS  21           HD2      HIS  21  -2.777  -2.005  -2.880
  150    HE1  HIS  21           HE1      HIS  21  -6.964  -2.180  -3.566
  151    H    CYS  22           H        CYS  22  -1.113   1.736  -2.276
  152    HA   CYS  22           HA       CYS  22  -1.982   0.483   0.200
  153    HB2  CYS  22           HB2      CYS  22   0.598   1.781  -0.700
  154    HB3  CYS  22           HB3      CYS  22   0.391   1.056   0.889
  155    H    ARG  23           H        ARG  23  -1.508   3.832  -0.913
  156    HA   ARG  23           HA       ARG  23  -1.704   4.889   1.819
  157    HB2  ARG  23           HB2      ARG  23  -1.445   6.194  -0.911
  158    HB3  ARG  23           HB3      ARG  23  -1.624   7.094   0.609
  159    HG2  ARG  23           HG2      ARG  23   0.407   6.054   1.522
  160    HG3  ARG  23           HG3      ARG  23   0.583   5.067   0.060
  161    HD2  ARG  23           HD2      ARG  23   2.081   7.010  -0.026
  162    HD3  ARG  23           HD3      ARG  23   0.857   7.114  -1.297
  163    HE   ARG  23           HE       ARG  23   0.848   8.674   1.266
  164   HH11  ARG  23          HH11      ARG  23  -0.143   8.321  -2.117
  165   HH12  ARG  23          HH12      ARG  23  -0.852   9.920  -2.181
  166   HH21  ARG  23          HH21      ARG  23  -0.080  10.740   1.133
  167   HH22  ARG  23          HH22      ARG  23  -0.816  11.278  -0.355
  168    H    SER  24           H        SER  24  -3.898   3.512  -0.132
  169    HA   SER  24           HA       SER  24  -6.105   5.190   0.975
  170    HB2  SER  24           HB2      SER  24  -6.062   3.641  -1.644
  171    HB3  SER  24           HB3      SER  24  -7.450   4.518  -0.962
  172    HG   SER  24           HG       SER  24  -4.988   5.547  -1.899
  173    H    CYS  25           H        CYS  25  -8.144   3.805   1.307
  174    HA   CYS  25           HA       CYS  25  -7.326   1.508   2.850
  175    HB2  CYS  25           HB2      CYS  25 -10.124   2.406   2.101
  176    HB3  CYS  25           HB3      CYS  25  -9.664   1.275   3.385
  177    H    HIS  26           H        HIS  26  -7.370  -0.621   2.371
  178    HA   HIS  26           HA       HIS  26  -8.605  -1.548  -0.155
  179    HB2  HIS  26           HB2      HIS  26  -6.420  -2.689  -0.714
  180    HB3  HIS  26           HB3      HIS  26  -6.384  -0.934  -0.853
  181    HD1  HIS  26           HD1      HIS  26  -4.559   0.296   0.508
  182    HD2  HIS  26           HD2      HIS  26  -5.281  -3.671   1.733
  183    HE1  HIS  26           HE1      HIS  26  -2.781  -0.256   2.284
  184    HE2  HIS  26           HE2      HIS  26  -3.255  -2.673   3.027
  185    H    ARG  27           H        ARG  27  -8.314  -4.013  -0.312
  186    HA   ARG  27           HA       ARG  27  -9.378  -5.090   2.133
  187    HB2  ARG  27           HB2      ARG  27 -10.008  -5.706  -0.268
  188    HB3  ARG  27           HB3      ARG  27  -8.481  -6.580  -0.365
  189    HG2  ARG  27           HG2      ARG  27 -10.345  -8.097   0.180
  190    HG3  ARG  27           HG3      ARG  27  -9.181  -8.038   1.515
  191    HD2  ARG  27           HD2      ARG  27 -11.522  -7.956   2.310
  192    HD3  ARG  27           HD3      ARG  27 -10.632  -6.492   2.750
  193    HE   ARG  27           HE       ARG  27 -11.711  -5.559   0.553
  194   HH11  ARG  27          HH11      ARG  27 -13.276  -7.750   2.841
  195   HH12  ARG  27          HH12      ARG  27 -14.887  -7.171   2.467
  196   HH21  ARG  27          HH21      ARG  27 -13.785  -4.834   0.090
  197   HH22  ARG  27          HH22      ARG  27 -15.177  -5.513   0.912
  198    H    GLY  28           H        GLY  28  -8.483  -6.372   3.652
  199    HA2  GLY  28           HA2      GLY  28  -5.550  -6.858   3.516
  200    HA3  GLY  28           HA3      GLY  28  -6.517  -6.708   4.986
  201    H    ASP  29           H        ASP  29  -5.447  -8.799   5.552
  202    HA   ASP  29           HA       ASP  29  -6.363 -11.152   4.033
  203    HB2  ASP  29           HB2      ASP  29  -4.004 -10.852   4.771
  204    HB3  ASP  29           HB3      ASP  29  -4.541 -10.898   6.453
  205    H    VAL  30           H        VAL  30  -7.304  -9.337   6.822
  206    HA   VAL  30           HA       VAL  30  -9.220 -11.480   7.562
  207    HB   VAL  30           HB       VAL  30  -7.191 -11.596   9.007
  208   HG11  VAL  30          HG11      VAL  30  -6.783  -9.841  10.667
  209   HG12  VAL  30          HG12      VAL  30  -6.593  -9.201   9.023
  210   HG13  VAL  30          HG13      VAL  30  -8.062  -8.832   9.960
  211   HG21  VAL  30          HG21      VAL  30  -9.443 -12.287   9.829
  212   HG22  VAL  30          HG22      VAL  30  -8.353 -11.720  11.117
  213   HG23  VAL  30          HG23      VAL  30  -9.649 -10.662  10.532
  214    H    GLY  31           H        GLY  31  -8.733  -8.312   6.639
  215    HA2  GLY  31           HA2      GLY  31 -11.422  -7.485   7.164
  216    HA3  GLY  31           HA3      GLY  31 -10.311  -6.726   8.320
  217    H    CYS  32           H        CYS  32 -10.566  -4.618   7.458
  218    HA   CYS  32           HA       CYS  32  -9.162  -4.254   4.856
  219    HB2  CYS  32           HB2      CYS  32 -11.614  -2.782   5.866
  220    HB3  CYS  32           HB3      CYS  32 -10.617  -2.260   4.506
  221    H    VAL  33           H        VAL  33  -7.718  -2.614   4.693
  222    HA   VAL  33           HA       VAL  33  -7.131  -0.990   7.105
  223    HB   VAL  33           HB       VAL  33  -4.793  -1.749   7.128
  224   HG11  VAL  33          HG11      VAL  33  -6.710  -4.102   7.404
  225   HG12  VAL  33          HG12      VAL  33  -5.109  -3.931   8.151
  226   HG13  VAL  33          HG13      VAL  33  -6.429  -2.854   8.643
  227   HG21  VAL  33          HG21      VAL  33  -4.118  -3.775   5.915
  228   HG22  VAL  33          HG22      VAL  33  -5.709  -3.854   5.122
  229   HG23  VAL  33          HG23      VAL  33  -4.613  -2.491   4.790
  230    H    ARG  34           H        ARG  34  -5.246   0.458   6.721
  231    HA   ARG  34           HA       ARG  34  -4.693   1.123   3.891
  232    HB2  ARG  34           HB2      ARG  34  -4.981   3.536   4.408
  233    HB3  ARG  34           HB3      ARG  34  -6.501   2.633   4.548
  234    HG2  ARG  34           HG2      ARG  34  -6.212   2.518   7.008
  235    HG3  ARG  34           HG3      ARG  34  -4.698   3.442   6.870
  236    HD2  ARG  34           HD2      ARG  34  -5.903   5.337   5.918
  237    HD3  ARG  34           HD3      ARG  34  -7.425   4.420   5.942
  238    HE   ARG  34           HE       ARG  34  -6.385   4.428   8.574
  239   HH11  ARG  34          HH11      ARG  34  -7.681   6.721   6.219
  240   HH12  ARG  34          HH12      ARG  34  -8.295   7.811   7.441
  241   HH21  ARG  34          HH21      ARG  34  -7.213   5.857  10.149
  242   HH22  ARG  34          HH22      ARG  34  -8.031   7.320   9.661
  243    H    CYS  35           H        CYS  35  -2.596   2.203   3.658
  244    HA   CYS  35           HA       CYS  35  -0.886   1.895   6.086
  245    HB2  CYS  35           HB2      CYS  35  -0.194   1.112   3.250
  246    HB3  CYS  35           HB3      CYS  35   0.832   0.923   4.666
  247    H    SER  36           H        SER  36   1.514   2.722   5.162
  248    HA   SER  36           HA       SER  36   0.964   5.600   4.681
  249    HB2  SER  36           HB2      SER  36   3.208   4.099   6.064
  250    HB3  SER  36           HB3      SER  36   3.202   5.847   5.800
  251    HG   SER  36           HG       SER  36   1.276   5.958   7.019
  252    H    ASN  37           H        ASN  37   2.828   2.848   3.373
  253    HA   ASN  37           HA       ASN  37   3.553   4.472   1.051
  254    HB2  ASN  37           HB2      ASN  37   5.292   4.927   2.882
  255    HB3  ASN  37           HB3      ASN  37   5.787   3.244   2.728
  256   HD21  ASN  37          HD21      ASN  37   7.887   4.363   2.212
  257   HD22  ASN  37          HD22      ASN  37   8.172   4.796   0.536
  258    H    ALA  38           H        ALA  38   5.229   2.858  -0.322
  259    HA   ALA  38           HA       ALA  38   4.362   0.064  -0.036
  260    HB1  ALA  38           HB1      ALA  38   3.711   1.691  -2.519
  261    HB2  ALA  38           HB2      ALA  38   3.333  -0.023  -2.246
  262    HB3  ALA  38           HB3      ALA  38   2.522   1.223  -1.274
  263    H    GLN  39           H        GLN  39   5.301  -1.324  -1.742
  264    HA   GLN  39           HA       GLN  39   7.479  -0.277  -3.386
  265    HB2  GLN  39           HB2      GLN  39   9.139  -1.840  -2.501
  266    HB3  GLN  39           HB3      GLN  39   8.635  -0.693  -1.251
  267    HG2  GLN  39           HG2      GLN  39   7.213  -2.364  -0.209
  268    HG3  GLN  39           HG3      GLN  39   7.469  -3.494  -1.553
  269   HE21  GLN  39          HE21      GLN  39   9.412  -1.610   0.870
  270   HE22  GLN  39          HE22      GLN  39  10.578  -2.888   1.138
  271    H    CYS  40           H        CYS  40   8.379  -2.194  -4.746
  272    HA   CYS  40           HA       CYS  40   6.122  -4.071  -5.246
  273    HB2  CYS  40           HB2      CYS  40   8.270  -3.223  -7.197
  274    HB3  CYS  40           HB3      CYS  40   6.846  -4.224  -7.519
  275    H    THR  41           H        THR  41   6.526  -6.251  -5.563
  276    HA   THR  41           HA       THR  41   9.217  -7.238  -4.735
  277    HB   THR  41           HB       THR  41   8.121  -8.856  -3.245
  278    HG1  THR  41           HG1      THR  41   5.912  -8.580  -2.818
  279   HG21  THR  41          HG21      THR  41   7.222  -6.010  -2.613
  280   HG22  THR  41          HG22      THR  41   7.489  -7.335  -1.456
  281   HG23  THR  41          HG23      THR  41   8.861  -6.640  -2.341
  282    H    GLY  42           H        GLY  42   9.006  -9.830  -4.817
  283    HA2  GLY  42           HA2      GLY  42   8.265 -11.713  -6.094
  284    HA3  GLY  42           HA3      GLY  42   7.672 -10.622  -7.355
  285    H    PHE  43           H        PHE  43   9.013 -12.422  -8.521
  286    HA   PHE  43           HA       PHE  43  11.866 -12.375  -8.385
  287    HB2  PHE  43           HB2      PHE  43  10.690 -14.294  -9.237
  288    HB3  PHE  43           HB3      PHE  43   9.847 -13.318 -10.438
  289    HD1  PHE  43           HD2      PHE  43  13.295 -14.442  -9.464
  290    HD2  PHE  43           HD1      PHE  43  10.681 -13.101 -12.604
  291    HE1  PHE  43           HE2      PHE  43  15.066 -14.897 -11.138
  292    HE2  PHE  43           HE1      PHE  43  12.459 -13.542 -14.273
  293    HZ   PHE  43           HZ       PHE  43  14.655 -14.419 -13.545
  294    H    LEU  44           H        LEU  44   9.585 -10.234  -9.970
  295    HA   LEU  44           HA       LEU  44  11.861  -8.816 -11.188
  296    HB2  LEU  44           HB2      LEU  44  10.841 -10.556 -12.782
  297    HB3  LEU  44           HB3      LEU  44   9.414  -9.518 -12.844
  298    HG   LEU  44           HG       LEU  44  10.854  -7.660 -13.736
  299   HD11  LEU  44          HD11      LEU  44  13.024  -8.281 -12.759
  300   HD12  LEU  44          HD12      LEU  44  13.022  -9.809 -13.676
  301   HD13  LEU  44          HD13      LEU  44  13.146  -8.253 -14.525
  302   HD21  LEU  44          HD21      LEU  44   9.690  -9.238 -15.256
  303   HD22  LEU  44          HD22      LEU  44  11.236  -8.677 -15.940
  304   HD23  LEU  44          HD23      LEU  44  11.111 -10.302 -15.224
  305    H    GLY  45           H        GLY  45   9.779  -8.427  -8.962
  306    HA2  GLY  45           HA2      GLY  45   8.847  -6.535  -8.052
  307    HA3  GLY  45           HA3      GLY  45   9.362  -5.612  -9.478
  308    H    THR  46           H        THR  46   7.443  -8.498  -9.996
  309    HA   THR  46           HA       THR  46   5.379  -6.864 -11.237
  310    HB   THR  46           HB       THR  46   4.477  -9.087 -11.953
  311    HG1  THR  46           HG1      THR  46   5.786 -10.884 -11.469
  312   HG21  THR  46          HG21      THR  46   7.460  -8.666 -12.423
  313   HG22  THR  46          HG22      THR  46   6.369  -9.636 -13.435
  314   HG23  THR  46          HG23      THR  46   6.138  -7.879 -13.322
  315    H    THR  47           H        THR  47   5.775  -7.610  -8.076
  316    HA   THR  47           HA       THR  47   2.835  -7.899  -7.635
  317    HB   THR  47           HB       THR  47   5.122  -8.888  -5.890
  318    HG1  THR  47           HG1      THR  47   4.795 -10.082  -7.799
  319   HG21  THR  47          HG21      THR  47   2.095  -9.169  -5.675
  320   HG22  THR  47          HG22      THR  47   3.273 -10.079  -4.700
  321   HG23  THR  47          HG23      THR  47   3.173  -8.320  -4.533
  322    H    CYS  48           H        CYS  48   1.948  -6.712  -5.855
  323    HA   CYS  48           HA       CYS  48   3.540  -4.281  -5.160
  324    HB2  CYS  48           HB2      CYS  48   1.603  -3.778  -6.506
  325    HB3  CYS  48           HB3      CYS  48   0.566  -4.764  -5.472
  326    H    THR  49           H        THR  49   3.856  -3.752  -3.052
  327    HA   THR  49           HA       THR  49   2.385  -5.223  -0.938
  328    HB   THR  49           HB       THR  49   5.415  -5.007  -1.158
  329    HG1  THR  49           HG1      THR  49   5.235  -7.274  -1.254
  330   HG21  THR  49          HG21      THR  49   4.734  -4.819   1.182
  331   HG22  THR  49          HG22      THR  49   3.635  -6.213   1.000
  332   HG23  THR  49          HG23      THR  49   5.399  -6.432   0.890
  333    H    CYS  50           H        CYS  50   2.224  -4.089   1.026
  334    HA   CYS  50           HA       CYS  50   2.763  -1.182   0.738
  335    HB2  CYS  50           HB2      CYS  50   0.908  -2.633   2.638
  336    HB3  CYS  50           HB3      CYS  50   1.046  -0.888   2.406
  337    H    ILE  51           H        ILE  51   3.231   0.012   2.758
  338    HA   ILE  51           HA       ILE  51   5.297  -1.426   4.359
  339    HB   ILE  51           HB       ILE  51   5.061   1.483   3.554
  340   HG12  ILE  51          HG12      ILE  51   5.674   0.031   1.659
  341   HG13  ILE  51          HG13      ILE  51   6.995   1.103   2.130
  342   HG21  ILE  51          HG21      ILE  51   7.197   0.024   5.154
  343   HG22  ILE  51          HG22      ILE  51   7.389   1.655   4.463
  344   HG23  ILE  51          HG23      ILE  51   6.152   1.359   5.693
  345   HD11  ILE  51          HD11      ILE  51   7.804  -1.146   1.622
  346   HD12  ILE  51          HD12      ILE  51   8.095  -0.762   3.333
  347   HD13  ILE  51          HD13      ILE  51   6.758  -1.848   2.870
  348    H    ASN  52           H        ASN  52   5.393  -1.077   6.580
  349    HA   ASN  52           HA       ASN  52   2.857  -0.536   7.836
  350    HB2  ASN  52           HB2      ASN  52   4.078  -1.091   9.908
  351    HB3  ASN  52           HB3      ASN  52   4.402  -2.272   8.631
  352   HD21  ASN  52          HD21      ASN  52   5.749   0.310  10.630
  353   HD22  ASN  52          HD22      ASN  52   7.416   0.065  10.160
  354    HA   PRO  53           HA       PRO  53   2.358   0.045  10.166
  355    HB2  PRO  53           HB2      PRO  53   0.569   1.819  11.134
  356    HB3  PRO  53           HB3      PRO  53   2.238   1.712  11.789
  357    HG2  PRO  53           HG2      PRO  53   1.198   3.649   9.694
  358    HG3  PRO  53           HG3      PRO  53   2.114   4.029  11.199
  359    HD2  PRO  53           HD2      PRO  53   3.367   3.757   8.787
  360    HD3  PRO  53           HD3      PRO  53   4.120   3.170  10.300
  361    H    CYS  54           H        CYS  54   0.082  -0.555   9.976
  362    HA   CYS  54           HA       CYS  54  -1.321   0.483   7.583
  363    HB2  CYS  54           HB2      CYS  54  -0.642  -2.394   8.199
  364    HB3  CYS  54           HB3      CYS  54  -1.933  -1.944   7.095
  365    HA   PRO  55           HA       PRO  55  -3.974   0.044  11.430
  366    HB2  PRO  55           HB2      PRO  55  -5.163   2.514  11.263
  367    HB3  PRO  55           HB3      PRO  55  -3.574   2.233  12.058
  368    HG2  PRO  55           HG2      PRO  55  -4.089   3.149   9.211
  369    HG3  PRO  55           HG3      PRO  55  -3.008   3.907  10.432
  370    HD2  PRO  55           HD2      PRO  55  -1.997   2.216   8.597
  371    HD3  PRO  55           HD3      PRO  55  -1.460   2.097  10.298
  372    H    ARG  56           H        ARG  56  -6.361   0.106  11.548
  373    HA   ARG  56           HA       ARG  56  -7.478  -1.078   9.160
  374    HB2  ARG  56           HB2      ARG  56  -8.723  -0.407  11.848
  375    HB3  ARG  56           HB3      ARG  56  -9.491  -1.369  10.575
  376    HG2  ARG  56           HG2      ARG  56  -7.613  -2.990  10.651
  377    HG3  ARG  56           HG3      ARG  56  -6.883  -2.084  11.989
  378    HD2  ARG  56           HD2      ARG  56  -9.652  -3.354  12.017
  379    HD3  ARG  56           HD3      ARG  56  -8.198  -4.042  12.761
  380    HE   ARG  56           HE       ARG  56  -8.477  -1.443  13.800
  381   HH11  ARG  56          HH11      ARG  56 -10.262  -4.491  13.840
  382   HH12  ARG  56          HH12      ARG  56 -10.988  -4.180  15.403
  383   HH21  ARG  56          HH21      ARG  56  -9.420  -1.076  15.849
  384   HH22  ARG  56          HH22      ARG  56 -10.506  -2.256  16.534
  385    H    CYS  57           H        CYS  57  -9.548  -0.490   8.235
  386    HA   CYS  57           HA       CYS  57 -10.342   2.340   8.419
  387    HB2  CYS  57           HB2      CYS  57  -8.587   2.354   6.729
  388    HB3  CYS  57           HB3      CYS  57  -9.340   1.005   5.878
  Start of MODEL    7
    1    HA   PCA   1           HA       PCA   1 -16.704  -2.373  -1.035
    2    HB2  PCA   1           HB2      PCA   1 -18.668  -0.057  -1.085
    3    HB3  PCA   1           HB3      PCA   1 -18.469  -1.367  -2.301
    4    HG2  PCA   1           HG2      PCA   1 -19.544  -2.949  -0.885
    5    HG3  PCA   1           HG3      PCA   1 -20.409  -1.463  -0.352
    6    H    ASN   2           H        ASN   2 -16.183   0.014   1.307
    7    HA   ASN   2           HA       ASN   2 -14.915   1.980  -0.433
    8    HB2  ASN   2           HB2      ASN   2 -16.192   2.467   1.700
    9    HB3  ASN   2           HB3      ASN   2 -14.840   1.776   2.598
   10   HD21  ASN   2          HD21      ASN   2 -14.748   3.960   3.579
   11   HD22  ASN   2          HD22      ASN   2 -13.883   5.233   2.737
   12    H    CYS   3           H        CYS   3 -14.011  -1.025   0.116
   13    HA   CYS   3           HA       CYS   3 -11.126  -0.386   0.013
   14    HB2  CYS   3           HB2      CYS   3 -10.730  -2.257   1.686
   15    HB3  CYS   3           HB3      CYS   3 -11.262  -0.701   2.323
   16    HA   PRO   4           HA       PRO   4 -12.301  -3.712  -2.953
   17    HB2  PRO   4           HB2      PRO   4 -11.039  -2.682  -5.123
   18    HB3  PRO   4           HB3      PRO   4 -12.619  -2.037  -4.557
   19    HG2  PRO   4           HG2      PRO   4  -9.840  -0.966  -3.950
   20    HG3  PRO   4           HG3      PRO   4 -11.260  -0.059  -4.578
   21    HD2  PRO   4           HD2      PRO   4 -10.629  -0.119  -1.929
   22    HD3  PRO   4           HD3      PRO   4 -12.335  -0.119  -2.480
   23    H    THR   5           H        THR   5 -10.680  -4.930  -4.450
   24    HA   THR   5           HA       THR   5  -8.033  -5.145  -3.077
   25    HB   THR   5           HB       THR   5  -9.601  -7.346  -4.480
   26    HG1  THR   5           HG1      THR   5 -10.001  -8.074  -2.390
   27   HG21  THR   5          HG21      THR   5  -7.965  -8.828  -3.364
   28   HG22  THR   5          HG22      THR   5  -7.160  -7.691  -4.458
   29   HG23  THR   5          HG23      THR   5  -7.126  -7.403  -2.698
   30    H    ARG   6           H        ARG   6  -6.215  -5.075  -4.391
   31    HA   ARG   6           HA       ARG   6  -6.570  -5.350  -7.320
   32    HB2  ARG   6           HB2      ARG   6  -5.179  -2.984  -6.009
   33    HB3  ARG   6           HB3      ARG   6  -5.264  -3.326  -7.746
   34    HG2  ARG   6           HG2      ARG   6  -7.774  -3.169  -7.610
   35    HG3  ARG   6           HG3      ARG   6  -7.597  -2.641  -5.919
   36    HD2  ARG   6           HD2      ARG   6  -6.190  -0.746  -6.682
   37    HD3  ARG   6           HD3      ARG   6  -6.422  -1.268  -8.364
   38    HE   ARG   6           HE       ARG   6  -8.983  -0.967  -7.209
   39   HH11  ARG   6          HH11      ARG   6  -6.204   1.048  -8.071
   40   HH12  ARG   6          HH12      ARG   6  -7.167   2.476  -8.339
   41   HH21  ARG   6          HH21      ARG   6 -10.226   0.914  -7.581
   42   HH22  ARG   6          HH22      ARG   6  -9.445   2.401  -8.064
   43    H    ARG   7           H        ARG   7  -4.753  -6.013  -8.416
   44    HA   ARG   7           HA       ARG   7  -2.232  -6.514  -6.938
   45    HB2  ARG   7           HB2      ARG   7  -3.864  -8.580  -8.471
   46    HB3  ARG   7           HB3      ARG   7  -2.193  -8.823  -7.975
   47    HG2  ARG   7           HG2      ARG   7  -4.446  -8.321  -5.981
   48    HG3  ARG   7           HG3      ARG   7  -3.951  -9.919  -6.538
   49    HD2  ARG   7           HD2      ARG   7  -2.795  -9.616  -4.511
   50    HD3  ARG   7           HD3      ARG   7  -1.588  -9.357  -5.781
   51    HE   ARG   7           HE       ARG   7  -2.921  -6.921  -4.851
   52   HH11  ARG   7          HH11      ARG   7  -0.214  -9.123  -4.258
   53   HH12  ARG   7          HH12      ARG   7   0.732  -7.891  -3.439
   54   HH21  ARG   7          HH21      ARG   7  -1.673  -5.381  -3.759
   55   HH22  ARG   7          HH22      ARG   7  -0.087  -5.819  -3.149
   56    H    GLY   8           H        GLY   8  -0.463  -7.075  -8.474
   57    HA2  GLY   8           HA2      GLY   8   0.699  -6.881 -10.436
   58    HA3  GLY   8           HA3      GLY   8  -0.841  -6.900 -11.306
   59    H    LEU   9           H        LEU   9  -0.495  -4.405  -8.882
   60    HA   LEU   9           HA       LEU   9  -0.917  -2.322 -10.764
   61    HB2  LEU   9           HB2      LEU   9   0.193  -2.285  -7.925
   62    HB3  LEU   9           HB3      LEU   9  -0.332  -0.848  -8.806
   63    HG   LEU   9           HG       LEU   9  -2.126  -3.239  -8.188
   64   HD11  LEU   9          HD11      LEU   9  -1.954  -0.502  -6.861
   65   HD12  LEU   9          HD12      LEU   9  -3.144  -1.770  -6.493
   66   HD13  LEU   9          HD13      LEU   9  -1.428  -2.044  -6.136
   67   HD21  LEU   9          HD21      LEU   9  -3.952  -1.650  -8.789
   68   HD22  LEU   9          HD22      LEU   9  -2.726  -0.446  -9.253
   69   HD23  LEU   9          HD23      LEU   9  -2.879  -1.970 -10.160
   70    H    CYS  10           H        CYS  10   2.062  -3.818  -9.609
   71    HA   CYS  10           HA       CYS  10   3.739  -1.648 -10.604
   72    HB2  CYS  10           HB2      CYS  10   4.348  -4.423  -9.534
   73    HB3  CYS  10           HB3      CYS  10   5.581  -3.255 -10.010
   74    H    VAL  11           H        VAL  11   1.911  -3.729 -12.305
   75    HA   VAL  11           HA       VAL  11   4.011  -4.183 -14.386
   76    HB   VAL  11           HB       VAL  11   1.577  -5.906 -13.766
   77   HG11  VAL  11          HG11      VAL  11   2.760  -7.539 -15.257
   78   HG12  VAL  11          HG12      VAL  11   2.208  -6.092 -16.117
   79   HG13  VAL  11          HG13      VAL  11   3.925  -6.263 -15.674
   80   HG21  VAL  11          HG21      VAL  11   3.254  -6.088 -11.980
   81   HG22  VAL  11          HG22      VAL  11   3.266  -7.555 -12.977
   82   HG23  VAL  11          HG23      VAL  11   4.537  -6.329 -13.193
   83    H    THR  12           H        THR  12   1.049  -2.587 -13.630
   84    HA   THR  12           HA       THR  12   0.557  -2.196 -16.552
   85    HB   THR  12           HB       THR  12  -1.088  -3.716 -15.459
   86    HG1  THR  12           HG1      THR  12  -2.055  -1.199 -16.333
   87   HG21  THR  12          HG21      THR  12  -2.770  -2.774 -13.937
   88   HG22  THR  12          HG22      THR  12  -1.153  -2.658 -13.216
   89   HG23  THR  12          HG23      THR  12  -1.917  -1.217 -13.922
   90    H    SER  13           H        SER  13   1.090  -0.724 -13.466
   91    HA   SER  13           HA       SER  13   0.648   1.944 -14.709
   92    HB2  SER  13           HB2      SER  13  -0.416   0.887 -12.070
   93    HB3  SER  13           HB3      SER  13  -0.257   2.618 -12.436
   94    HG   SER  13           HG       SER  13  -2.343   1.774 -12.962
   95    H    GLY  14           H        GLY  14   2.444  -0.157 -12.578
   96    HA2  GLY  14           HA2      GLY  14   4.708   0.169 -12.027
   97    HA3  GLY  14           HA3      GLY  14   4.546   1.903 -12.338
   98    H    LEU  15           H        LEU  15   5.848   1.708 -10.215
   99    HA   LEU  15           HA       LEU  15   4.692   0.854  -7.798
  100    HB2  LEU  15           HB2      LEU  15   7.070   1.264  -8.097
  101    HB3  LEU  15           HB3      LEU  15   6.781   2.973  -8.445
  102    HG   LEU  15           HG       LEU  15   5.951   3.328  -6.159
  103   HD11  LEU  15          HD11      LEU  15   6.262   1.557  -4.446
  104   HD12  LEU  15          HD12      LEU  15   5.073   1.071  -5.663
  105   HD13  LEU  15          HD13      LEU  15   6.724   0.407  -5.719
  106   HD21  LEU  15          HD21      LEU  15   8.111   3.059  -5.009
  107   HD22  LEU  15          HD22      LEU  15   8.651   1.924  -6.272
  108   HD23  LEU  15          HD23      LEU  15   8.342   3.630  -6.676
  109    H    THR  16           H        THR  16   4.197   3.859  -9.610
  110    HA   THR  16           HA       THR  16   3.326   5.501  -7.468
  111    HB   THR  16           HB       THR  16   2.353   5.538 -10.348
  112    HG1  THR  16           HG1      THR  16   4.152   6.898 -10.656
  113   HG21  THR  16          HG21      THR  16   2.652   7.719  -8.240
  114   HG22  THR  16          HG22      THR  16   2.168   7.989  -9.929
  115   HG23  THR  16          HG23      THR  16   1.114   7.065  -8.849
  116    H    ALA  17           H        ALA  17   1.544   3.065  -9.425
  117    HA   ALA  17           HA       ALA  17  -0.999   3.830  -8.200
  118    HB1  ALA  17           HB1      ALA  17  -0.910   2.979 -10.487
  119    HB2  ALA  17           HB2      ALA  17  -0.199   1.442  -9.913
  120    HB3  ALA  17           HB3      ALA  17  -1.855   1.878  -9.457
  121    H    CYS  18           H        CYS  18   1.586   1.470  -7.624
  122    HA   CYS  18           HA       CYS  18   0.093  -0.155  -5.766
  123    HB2  CYS  18           HB2      CYS  18   2.073  -0.974  -6.921
  124    HB3  CYS  18           HB3      CYS  18   3.054   0.320  -6.232
  125    H    ARG  19           H        ARG  19   1.942   2.874  -5.542
  126    HA   ARG  19           HA       ARG  19   1.958   2.869  -2.627
  127    HB2  ARG  19           HB2      ARG  19   3.664   3.896  -4.241
  128    HB3  ARG  19           HB3      ARG  19   2.496   5.202  -4.498
  129    HG2  ARG  19           HG2      ARG  19   2.521   5.711  -2.069
  130    HG3  ARG  19           HG3      ARG  19   3.626   4.344  -1.791
  131    HD2  ARG  19           HD2      ARG  19   5.266   5.428  -3.350
  132    HD3  ARG  19           HD3      ARG  19   4.190   6.833  -3.449
  133    HE   ARG  19           HE       ARG  19   4.683   6.307  -0.709
  134   HH11  ARG  19          HH11      ARG  19   6.444   7.368  -3.585
  135   HH12  ARG  19          HH12      ARG  19   7.634   8.266  -2.666
  136   HH21  ARG  19          HH21      ARG  19   6.249   7.464   0.457
  137   HH22  ARG  19          HH22      ARG  19   7.515   8.341  -0.379
  138    H    ASN  20           H        ASN  20  -0.030   4.258  -5.226
  139    HA   ASN  20           HA       ASN  20  -1.590   5.933  -3.438
  140    HB2  ASN  20           HB2      ASN  20  -2.080   4.882  -6.251
  141    HB3  ASN  20           HB3      ASN  20  -3.128   6.042  -5.426
  142   HD21  ASN  20          HD21      ASN  20  -2.085   6.798  -7.811
  143   HD22  ASN  20          HD22      ASN  20  -0.824   7.996  -7.578
  144    H    HIS  21           H        HIS  21  -1.748   2.545  -4.498
  145    HA   HIS  21           HA       HIS  21  -4.461   2.160  -3.520
  146    HB2  HIS  21           HB2      HIS  21  -3.502   0.828  -5.349
  147    HB3  HIS  21           HB3      HIS  21  -2.253   0.213  -4.269
  148    HD1  HIS  21           HD1      HIS  21  -6.140   0.087  -4.482
  149    HD2  HIS  21           HD2      HIS  21  -2.801  -2.003  -3.020
  150    HE1  HIS  21           HE1      HIS  21  -7.012  -2.141  -3.585
  151    H    CYS  22           H        CYS  22  -1.162   1.738  -2.240
  152    HA   CYS  22           HA       CYS  22  -2.041   0.410   0.179
  153    HB2  CYS  22           HB2      CYS  22   0.513   1.790  -0.651
  154    HB3  CYS  22           HB3      CYS  22   0.301   1.047   0.938
  155    H    ARG  23           H        ARG  23  -1.666   3.825  -0.811
  156    HA   ARG  23           HA       ARG  23  -1.948   4.762   1.955
  157    HB2  ARG  23           HB2      ARG  23  -1.786   6.128  -0.747
  158    HB3  ARG  23           HB3      ARG  23  -2.161   7.005   0.750
  159    HG2  ARG  23           HG2      ARG  23  -0.087   6.184   1.785
  160    HG3  ARG  23           HG3      ARG  23   0.330   5.301   0.297
  161    HD2  ARG  23           HD2      ARG  23   0.451   7.383  -0.958
  162    HD3  ARG  23           HD3      ARG  23  -0.173   8.298   0.433
  163    HE   ARG  23           HE       ARG  23   2.177   6.928   1.249
  164   HH11  ARG  23          HH11      ARG  23   1.194   9.598  -0.846
  165   HH12  ARG  23          HH12      ARG  23   2.710  10.452  -0.661
  166   HH21  ARG  23          HH21      ARG  23   4.134   8.039   1.458
  167   HH22  ARG  23          HH22      ARG  23   4.375   9.576   0.655
  168    H    SER  24           H        SER  24  -4.055   3.885  -0.681
  169    HA   SER  24           HA       SER  24  -6.391   5.162   0.613
  170    HB2  SER  24           HB2      SER  24  -6.174   3.382  -1.845
  171    HB3  SER  24           HB3      SER  24  -7.639   4.218  -1.282
  172    HG   SER  24           HG       SER  24  -5.224   5.340  -2.232
  173    H    CYS  25           H        CYS  25  -8.305   3.733   1.130
  174    HA   CYS  25           HA       CYS  25  -7.366   1.514   2.743
  175    HB2  CYS  25           HB2      CYS  25 -10.209   2.348   2.102
  176    HB3  CYS  25           HB3      CYS  25  -9.679   1.266   3.397
  177    H    HIS  26           H        HIS  26  -7.412  -0.634   2.341
  178    HA   HIS  26           HA       HIS  26  -8.685  -1.636  -0.140
  179    HB2  HIS  26           HB2      HIS  26  -6.499  -2.749  -0.716
  180    HB3  HIS  26           HB3      HIS  26  -6.481  -0.995  -0.868
  181    HD1  HIS  26           HD1      HIS  26  -4.640   0.256   0.479
  182    HD2  HIS  26           HD2      HIS  26  -5.350  -3.708   1.732
  183    HE1  HIS  26           HE1      HIS  26  -2.863  -0.282   2.257
  184    HE2  HIS  26           HE2      HIS  26  -3.308  -2.692   3.002
  185    H    ARG  27           H        ARG  27  -8.380  -4.104  -0.229
  186    HA   ARG  27           HA       ARG  27  -9.421  -5.093   2.257
  187    HB2  ARG  27           HB2      ARG  27 -10.068  -5.739  -0.142
  188    HB3  ARG  27           HB3      ARG  27  -8.591  -6.704  -0.173
  189    HG2  ARG  27           HG2      ARG  27 -10.540  -8.076   0.407
  190    HG3  ARG  27           HG3      ARG  27  -9.395  -8.031   1.756
  191    HD2  ARG  27           HD2      ARG  27 -11.758  -7.787   2.486
  192    HD3  ARG  27           HD3      ARG  27 -10.777  -6.389   2.929
  193    HE   ARG  27           HE       ARG  27 -11.711  -5.338   0.767
  194   HH11  ARG  27          HH11      ARG  27 -13.550  -7.621   2.756
  195   HH12  ARG  27          HH12      ARG  27 -15.093  -6.966   2.259
  196   HH21  ARG  27          HH21      ARG  27 -13.708  -4.520   0.157
  197   HH22  ARG  27          HH22      ARG  27 -15.188  -5.220   0.790
  198    H    GLY  28           H        GLY  28  -8.524  -6.452   3.764
  199    HA2  GLY  28           HA2      GLY  28  -5.595  -7.032   3.534
  200    HA3  GLY  28           HA3      GLY  28  -6.435  -6.661   5.031
  201    H    ASP  29           H        ASP  29  -5.387  -8.752   5.672
  202    HA   ASP  29           HA       ASP  29  -6.485 -11.193   4.463
  203    HB2  ASP  29           HB2      ASP  29  -4.087 -10.908   5.060
  204    HB3  ASP  29           HB3      ASP  29  -4.543 -10.794   6.766
  205    H    VAL  30           H        VAL  30  -7.234  -9.120   7.127
  206    HA   VAL  30           HA       VAL  30  -9.168 -11.145   8.130
  207    HB   VAL  30           HB       VAL  30  -7.120 -11.120   9.543
  208   HG11  VAL  30          HG11      VAL  30  -6.485  -8.749   9.238
  209   HG12  VAL  30          HG12      VAL  30  -7.922  -8.247  10.168
  210   HG13  VAL  30          HG13      VAL  30  -6.632  -9.179  10.954
  211   HG21  VAL  30          HG21      VAL  30  -8.225 -10.942  11.687
  212   HG22  VAL  30          HG22      VAL  30  -9.537  -9.970  10.981
  213   HG23  VAL  30          HG23      VAL  30  -9.335 -11.674  10.511
  214    H    GLY  31           H        GLY  31  -8.578  -7.992   7.003
  215    HA2  GLY  31           HA2      GLY  31 -11.264  -7.165   7.107
  216    HA3  GLY  31           HA3      GLY  31 -10.443  -6.449   8.502
  217    H    CYS  32           H        CYS  32 -11.288  -4.551   6.863
  218    HA   CYS  32           HA       CYS  32  -9.329  -4.056   4.747
  219    HB2  CYS  32           HB2      CYS  32 -11.726  -2.495   5.738
  220    HB3  CYS  32           HB3      CYS  32 -10.628  -1.945   4.458
  221    H    VAL  33           H        VAL  33  -7.787  -2.529   4.668
  222    HA   VAL  33           HA       VAL  33  -7.191  -0.914   7.078
  223    HB   VAL  33           HB       VAL  33  -4.886  -1.765   7.165
  224   HG11  VAL  33          HG11      VAL  33  -6.869  -4.069   7.340
  225   HG12  VAL  33          HG12      VAL  33  -5.295  -3.954   8.149
  226   HG13  VAL  33          HG13      VAL  33  -6.604  -2.849   8.613
  227   HG21  VAL  33          HG21      VAL  33  -4.649  -2.479   4.822
  228   HG22  VAL  33          HG22      VAL  33  -4.237  -3.795   5.943
  229   HG23  VAL  33          HG23      VAL  33  -5.800  -3.808   5.101
  230    H    ARG  34           H        ARG  34  -5.262   0.508   6.693
  231    HA   ARG  34           HA       ARG  34  -4.596   0.973   3.851
  232    HB2  ARG  34           HB2      ARG  34  -4.966   3.335   3.993
  233    HB3  ARG  34           HB3      ARG  34  -6.470   2.515   4.450
  234    HG2  ARG  34           HG2      ARG  34  -5.845   2.828   6.868
  235    HG3  ARG  34           HG3      ARG  34  -4.435   3.774   6.337
  236    HD2  ARG  34           HD2      ARG  34  -7.365   4.426   5.844
  237    HD3  ARG  34           HD3      ARG  34  -6.238   5.301   6.899
  238    HE   ARG  34           HE       ARG  34  -5.208   5.191   4.225
  239   HH11  ARG  34          HH11      ARG  34  -7.693   6.807   6.151
  240   HH12  ARG  34          HH12      ARG  34  -7.740   8.219   5.115
  241   HH21  ARG  34          HH21      ARG  34  -5.300   7.008   2.897
  242   HH22  ARG  34          HH22      ARG  34  -6.373   8.337   3.280
  243    H    CYS  35           H        CYS  35  -2.515   2.147   3.650
  244    HA   CYS  35           HA       CYS  35  -0.840   1.813   6.099
  245    HB2  CYS  35           HB2      CYS  35  -0.143   1.072   3.253
  246    HB3  CYS  35           HB3      CYS  35   0.883   0.861   4.667
  247    H    SER  36           H        SER  36   1.564   2.642   5.222
  248    HA   SER  36           HA       SER  36   1.076   5.526   4.840
  249    HB2  SER  36           HB2      SER  36   3.366   5.689   5.786
  250    HB3  SER  36           HB3      SER  36   2.259   4.780   6.845
  251    HG   SER  36           HG       SER  36   4.267   3.710   6.577
  252    H    ASN  37           H        ASN  37   2.976   2.840   3.469
  253    HA   ASN  37           HA       ASN  37   3.520   4.402   1.018
  254    HB2  ASN  37           HB2      ASN  37   5.594   3.516   3.037
  255    HB3  ASN  37           HB3      ASN  37   6.012   3.607   1.322
  256   HD21  ASN  37          HD21      ASN  37   6.934   5.202   3.697
  257   HD22  ASN  37          HD22      ASN  37   6.671   6.868   3.217
  258    H    ALA  38           H        ALA  38   5.194   2.804  -0.307
  259    HA   ALA  38           HA       ALA  38   4.387  -0.002  -0.060
  260    HB1  ALA  38           HB1      ALA  38   2.475   1.157  -1.231
  261    HB2  ALA  38           HB2      ALA  38   3.620   1.607  -2.524
  262    HB3  ALA  38           HB3      ALA  38   3.264  -0.105  -2.207
  263    H    GLN  39           H        GLN  39   5.334  -1.351  -1.794
  264    HA   GLN  39           HA       GLN  39   7.390  -0.173  -3.505
  265    HB2  GLN  39           HB2      GLN  39   9.165  -1.657  -2.711
  266    HB3  GLN  39           HB3      GLN  39   8.641  -0.573  -1.411
  267    HG2  GLN  39           HG2      GLN  39   7.337  -2.346  -0.385
  268    HG3  GLN  39           HG3      GLN  39   7.646  -3.432  -1.756
  269   HE21  GLN  39          HE21      GLN  39   9.459  -1.459   0.687
  270   HE22  GLN  39          HE22      GLN  39  10.731  -2.643   0.909
  271    H    CYS  40           H        CYS  40   8.248  -1.855  -5.022
  272    HA   CYS  40           HA       CYS  40   6.124  -3.822  -5.636
  273    HB2  CYS  40           HB2      CYS  40   8.486  -2.825  -7.251
  274    HB3  CYS  40           HB3      CYS  40   7.304  -4.013  -7.814
  275    H    THR  41           H        THR  41   6.507  -6.020  -5.777
  276    HA   THR  41           HA       THR  41   9.133  -7.021  -4.776
  277    HB   THR  41           HB       THR  41   7.895  -8.536  -3.261
  278    HG1  THR  41           HG1      THR  41   5.673  -8.034  -2.926
  279   HG21  THR  41          HG21      THR  41   8.745  -6.309  -2.458
  280   HG22  THR  41          HG22      THR  41   7.138  -5.624  -2.785
  281   HG23  THR  41          HG23      THR  41   7.332  -6.898  -1.563
  282    H    GLY  42           H        GLY  42   8.805  -9.626  -4.720
  283    HA2  GLY  42           HA2      GLY  42   8.041 -11.539  -5.926
  284    HA3  GLY  42           HA3      GLY  42   7.532 -10.494  -7.261
  285    H    PHE  43           H        PHE  43   8.829 -12.425  -8.273
  286    HA   PHE  43           HA       PHE  43  11.683 -12.452  -8.066
  287    HB2  PHE  43           HB2      PHE  43  10.483 -14.397  -8.806
  288    HB3  PHE  43           HB3      PHE  43   9.682 -13.494 -10.093
  289    HD1  PHE  43           HD2      PHE  43  13.069 -14.654  -8.972
  290    HD2  PHE  43           HD1      PHE  43  10.573 -13.421 -12.254
  291    HE1  PHE  43           HE2      PHE  43  14.863 -15.268 -10.574
  292    HE2  PHE  43           HE1      PHE  43  12.370 -14.020 -13.849
  293    HZ   PHE  43           HZ       PHE  43  14.516 -14.929 -13.014
  294    H    LEU  44           H        LEU  44   9.497 -10.374  -9.855
  295    HA   LEU  44           HA       LEU  44  11.836  -9.092 -11.099
  296    HB2  LEU  44           HB2      LEU  44  10.830 -10.921 -12.614
  297    HB3  LEU  44           HB3      LEU  44   9.429  -9.859 -12.782
  298    HG   LEU  44           HG       LEU  44  10.951  -8.091 -13.730
  299   HD11  LEU  44          HD11      LEU  44  13.044 -10.300 -13.492
  300   HD12  LEU  44          HD12      LEU  44  13.243  -8.801 -14.430
  301   HD13  LEU  44          HD13      LEU  44  13.082  -8.728 -12.666
  302   HD21  LEU  44          HD21      LEU  44   9.771  -9.684 -15.191
  303   HD22  LEU  44          HD22      LEU  44  11.359  -9.255 -15.864
  304   HD23  LEU  44          HD23      LEU  44  11.125 -10.826 -15.057
  305    H    GLY  45           H        GLY  45   9.761  -8.471  -8.963
  306    HA2  GLY  45           HA2      GLY  45   8.836  -6.488  -8.233
  307    HA3  GLY  45           HA3      GLY  45   9.341  -5.717  -9.743
  308    H    THR  46           H        THR  46   7.469  -8.649 -10.020
  309    HA   THR  46           HA       THR  46   5.363  -7.167 -11.366
  310    HB   THR  46           HB       THR  46   4.507  -9.488 -11.874
  311    HG1  THR  46           HG1      THR  46   5.906 -11.173 -11.301
  312   HG21  THR  46          HG21      THR  46   6.388 -10.052 -13.373
  313   HG22  THR  46          HG22      THR  46   6.049  -8.307 -13.396
  314   HG23  THR  46          HG23      THR  46   7.443  -8.931 -12.481
  315    H    THR  47           H        THR  47   5.756  -7.531  -8.164
  316    HA   THR  47           HA       THR  47   2.829  -7.890  -7.686
  317    HB   THR  47           HB       THR  47   5.120  -8.871  -5.942
  318    HG1  THR  47           HG1      THR  47   4.344 -10.896  -6.574
  319   HG21  THR  47          HG21      THR  47   2.096  -9.110  -5.668
  320   HG22  THR  47          HG22      THR  47   3.266 -10.047  -4.722
  321   HG23  THR  47          HG23      THR  47   3.210  -8.282  -4.548
  322    H    CYS  48           H        CYS  48   2.017  -6.743  -5.794
  323    HA   CYS  48           HA       CYS  48   3.619  -4.303  -5.164
  324    HB2  CYS  48           HB2      CYS  48   1.705  -3.726  -6.498
  325    HB3  CYS  48           HB3      CYS  48   0.650  -4.752  -5.521
  326    H    THR  49           H        THR  49   3.911  -3.764  -3.049
  327    HA   THR  49           HA       THR  49   2.421  -5.233  -0.940
  328    HB   THR  49           HB       THR  49   5.447  -5.055  -1.228
  329    HG1  THR  49           HG1      THR  49   5.185  -7.343  -1.102
  330   HG21  THR  49          HG21      THR  49   3.729  -6.078   1.080
  331   HG22  THR  49          HG22      THR  49   5.473  -6.375   0.908
  332   HG23  THR  49          HG23      THR  49   4.883  -4.719   1.128
  333    H    CYS  50           H        CYS  50   2.216  -4.094   1.001
  334    HA   CYS  50           HA       CYS  50   2.763  -1.197   0.732
  335    HB2  CYS  50           HB2      CYS  50   0.923  -2.669   2.641
  336    HB3  CYS  50           HB3      CYS  50   1.046  -0.923   2.424
  337    H    ILE  51           H        ILE  51   3.238  -0.003   2.767
  338    HA   ILE  51           HA       ILE  51   5.333  -1.432   4.345
  339    HB   ILE  51           HB       ILE  51   5.042   1.474   3.505
  340   HG12  ILE  51          HG12      ILE  51   5.735   0.022   1.646
  341   HG13  ILE  51          HG13      ILE  51   7.027   1.117   2.140
  342   HG21  ILE  51          HG21      ILE  51   7.178   0.115   5.182
  343   HG22  ILE  51          HG22      ILE  51   7.332   1.739   4.461
  344   HG23  ILE  51          HG23      ILE  51   6.078   1.430   5.668
  345   HD11  ILE  51          HD11      ILE  51   7.876  -1.135   1.680
  346   HD12  ILE  51          HD12      ILE  51   8.117  -0.722   3.393
  347   HD13  ILE  51          HD13      ILE  51   6.802  -1.826   2.909
  348    H    ASN  52           H        ASN  52   5.445  -1.086   6.578
  349    HA   ASN  52           HA       ASN  52   2.880  -0.569   7.814
  350    HB2  ASN  52           HB2      ASN  52   5.643  -1.174   8.931
  351    HB3  ASN  52           HB3      ASN  52   4.177  -1.093   9.915
  352   HD21  ASN  52          HD21      ASN  52   5.572  -3.389  10.032
  353   HD22  ASN  52          HD22      ASN  52   4.742  -4.665   9.165
  354    HA   PRO  53           HA       PRO  53   2.385  -0.059  10.142
  355    HB2  PRO  53           HB2      PRO  53   0.604   1.705  11.171
  356    HB3  PRO  53           HB3      PRO  53   2.267   1.571  11.822
  357    HG2  PRO  53           HG2      PRO  53   1.242   3.560   9.772
  358    HG3  PRO  53           HG3      PRO  53   2.139   3.907  11.284
  359    HD2  PRO  53           HD2      PRO  53   3.412   3.695   8.876
  360    HD3  PRO  53           HD3      PRO  53   4.166   3.067  10.372
  361    H    CYS  54           H        CYS  54   0.086  -0.617   9.947
  362    HA   CYS  54           HA       CYS  54  -1.289   0.482   7.558
  363    HB2  CYS  54           HB2      CYS  54  -0.698  -2.411   8.197
  364    HB3  CYS  54           HB3      CYS  54  -1.956  -1.923   7.066
  365    HA   PRO  55           HA       PRO  55  -3.923   0.155  11.426
  366    HB2  PRO  55           HB2      PRO  55  -5.082   2.634  11.201
  367    HB3  PRO  55           HB3      PRO  55  -3.494   2.355  11.991
  368    HG2  PRO  55           HG2      PRO  55  -4.000   3.197   9.120
  369    HG3  PRO  55           HG3      PRO  55  -2.911   3.975  10.325
  370    HD2  PRO  55           HD2      PRO  55  -1.921   2.227   8.539
  371    HD3  PRO  55           HD3      PRO  55  -1.391   2.136  10.245
  372    H    ARG  56           H        ARG  56  -6.302   0.216  11.565
  373    HA   ARG  56           HA       ARG  56  -7.452  -0.975   9.193
  374    HB2  ARG  56           HB2      ARG  56  -8.678  -0.248  11.878
  375    HB3  ARG  56           HB3      ARG  56  -9.467  -1.214  10.613
  376    HG2  ARG  56           HG2      ARG  56  -7.594  -2.855  10.722
  377    HG3  ARG  56           HG3      ARG  56  -6.874  -1.935  12.056
  378    HD2  ARG  56           HD2      ARG  56  -9.649  -3.183  12.061
  379    HD3  ARG  56           HD3      ARG  56  -8.211  -3.879  12.832
  380    HE   ARG  56           HE       ARG  56  -8.500  -1.265  13.838
  381   HH11  ARG  56          HH11      ARG  56 -10.225  -4.350  13.906
  382   HH12  ARG  56          HH12      ARG  56 -10.960  -4.045  15.459
  383   HH21  ARG  56          HH21      ARG  56  -9.483  -0.880  15.864
  384   HH22  ARG  56          HH22      ARG  56 -10.529  -2.085  16.577
  385    H    CYS  57           H        CYS  57  -9.502  -0.356   8.246
  386    HA   CYS  57           HA       CYS  57 -10.265   2.484   8.419
  387    HB2  CYS  57           HB2      CYS  57  -8.528   2.479   6.714
  388    HB3  CYS  57           HB3      CYS  57  -9.283   1.109   5.892
  Start of MODEL    8
    1    HA   PCA   1           HA       PCA   1 -17.598  -1.595  -0.937
    2    HB2  PCA   1           HB2      PCA   1 -14.986  -3.145  -0.929
    3    HB3  PCA   1           HB3      PCA   1 -16.241  -3.074   0.358
    4    HG2  PCA   1           HG2      PCA   1 -17.709  -4.481  -0.876
    5    HG3  PCA   1           HG3      PCA   1 -16.140  -5.145  -1.458
    6    H    ASN   2           H        ASN   2 -16.035  -0.341   0.515
    7    HA   ASN   2           HA       ASN   2 -14.723   1.702  -1.085
    8    HB2  ASN   2           HB2      ASN   2 -14.454   2.859   1.048
    9    HB3  ASN   2           HB3      ASN   2 -16.111   2.270   0.879
   10   HD21  ASN   2          HD21      ASN   2 -12.948   1.624   2.427
   11   HD22  ASN   2          HD22      ASN   2 -13.595   0.691   3.764
   12    H    CYS   3           H        CYS   3 -13.700  -1.250  -0.503
   13    HA   CYS   3           HA       CYS   3 -10.865  -0.481  -0.476
   14    HB2  CYS   3           HB2      CYS   3 -10.414  -2.214   1.306
   15    HB3  CYS   3           HB3      CYS   3 -11.140  -0.699   1.850
   16    HA   PRO   4           HA       PRO   4 -11.835  -3.952  -3.350
   17    HB2  PRO   4           HB2      PRO   4 -10.418  -3.038  -5.477
   18    HB3  PRO   4           HB3      PRO   4 -12.033  -2.380  -5.061
   19    HG2  PRO   4           HG2      PRO   4  -9.314  -1.259  -4.317
   20    HG3  PRO   4           HG3      PRO   4 -10.700  -0.388  -5.070
   21    HD2  PRO   4           HD2      PRO   4 -10.235  -0.313  -2.385
   22    HD3  PRO   4           HD3      PRO   4 -11.907  -0.375  -3.042
   23    H    THR   5           H        THR   5 -10.166  -5.303  -4.661
   24    HA   THR   5           HA       THR   5  -7.642  -5.532  -3.066
   25    HB   THR   5           HB       THR   5  -9.166  -7.763  -4.456
   26    HG1  THR   5           HG1      THR   5  -9.864  -8.297  -2.390
   27   HG21  THR   5          HG21      THR   5  -6.755  -8.189  -4.104
   28   HG22  THR   5          HG22      THR   5  -6.922  -7.739  -2.392
   29   HG23  THR   5          HG23      THR   5  -7.731  -9.193  -3.016
   30    H    ARG   6           H        ARG   6  -5.880  -5.046  -4.251
   31    HA   ARG   6           HA       ARG   6  -5.682  -6.007  -7.046
   32    HB2  ARG   6           HB2      ARG   6  -5.180  -3.146  -6.122
   33    HB3  ARG   6           HB3      ARG   6  -4.707  -3.782  -7.698
   34    HG2  ARG   6           HG2      ARG   6  -7.583  -3.625  -6.697
   35    HG3  ARG   6           HG3      ARG   6  -6.797  -2.445  -7.753
   36    HD2  ARG   6           HD2      ARG   6  -6.329  -4.282  -9.401
   37    HD3  ARG   6           HD3      ARG   6  -7.280  -5.385  -8.404
   38    HE   ARG   6           HE       ARG   6  -8.266  -3.149 -10.060
   39   HH11  ARG   6          HH11      ARG   6  -9.055  -5.598  -7.634
   40   HH12  ARG   6          HH12      ARG   6 -10.770  -5.533  -7.959
   41   HH21  ARG   6          HH21      ARG   6 -10.504  -3.075 -10.450
   42   HH22  ARG   6          HH22      ARG   6 -11.583  -4.113  -9.547
   43    H    ARG   7           H        ARG   7  -3.662  -6.783  -7.472
   44    HA   ARG   7           HA       ARG   7  -1.426  -6.072  -5.612
   45    HB2  ARG   7           HB2      ARG   7  -2.214  -8.823  -6.652
   46    HB3  ARG   7           HB3      ARG   7  -0.700  -8.479  -5.822
   47    HG2  ARG   7           HG2      ARG   7  -3.437  -8.092  -4.548
   48    HG3  ARG   7           HG3      ARG   7  -2.466  -9.562  -4.431
   49    HD2  ARG   7           HD2      ARG   7  -1.953  -8.442  -2.463
   50    HD3  ARG   7           HD3      ARG   7  -0.570  -8.088  -3.512
   51    HE   ARG   7           HE       ARG   7  -2.434  -6.005  -3.871
   52   HH11  ARG   7          HH11      ARG   7  -0.471  -7.299  -1.243
   53   HH12  ARG   7          HH12      ARG   7  -0.428  -5.784  -0.370
   54   HH21  ARG   7          HH21      ARG   7  -2.364  -4.062  -2.753
   55   HH22  ARG   7          HH22      ARG   7  -1.467  -3.924  -1.259
   56    H    GLY   8           H        GLY   8  -2.596  -6.464  -8.828
   57    HA2  GLY   8           HA2      GLY   8   0.031  -6.948 -10.033
   58    HA3  GLY   8           HA3      GLY   8  -1.525  -6.777 -10.865
   59    H    LEU   9           H        LEU   9  -0.955  -4.273  -8.572
   60    HA   LEU   9           HA       LEU   9  -1.169  -2.246 -10.528
   61    HB2  LEU   9           HB2      LEU   9  -0.117  -2.170  -7.673
   62    HB3  LEU   9           HB3      LEU   9  -0.598  -0.747  -8.609
   63    HG   LEU   9           HG       LEU   9  -2.466  -3.074  -7.957
   64   HD11  LEU   9          HD11      LEU   9  -2.172  -0.344  -6.661
   65   HD12  LEU   9          HD12      LEU   9  -3.460  -1.526  -6.314
   66   HD13  LEU   9          HD13      LEU   9  -1.773  -1.913  -5.912
   67   HD21  LEU   9          HD21      LEU   9  -3.120  -1.776  -9.966
   68   HD22  LEU   9          HD22      LEU   9  -4.223  -1.451  -8.608
   69   HD23  LEU   9          HD23      LEU   9  -2.972  -0.269  -9.042
   70    H    CYS  10           H        CYS  10   1.686  -3.912  -9.313
   71    HA   CYS  10           HA       CYS  10   3.528  -1.853 -10.227
   72    HB2  CYS  10           HB2      CYS  10   3.891  -4.688  -9.236
   73    HB3  CYS  10           HB3      CYS  10   5.232  -3.643  -9.715
   74    H    VAL  11           H        VAL  11   1.559  -3.797 -11.992
   75    HA   VAL  11           HA       VAL  11   3.559  -4.025 -14.199
   76    HB   VAL  11           HB       VAL  11   1.272  -5.934 -13.565
   77   HG11  VAL  11          HG11      VAL  11   3.491  -6.043 -15.651
   78   HG12  VAL  11          HG12      VAL  11   2.322  -7.338 -15.324
   79   HG13  VAL  11          HG13      VAL  11   1.758  -5.792 -15.982
   80   HG21  VAL  11          HG21      VAL  11   3.111  -6.172 -11.942
   81   HG22  VAL  11          HG22      VAL  11   3.079  -7.551 -13.060
   82   HG23  VAL  11          HG23      VAL  11   4.288  -6.265 -13.271
   83    H    THR  12           H        THR  12   0.318  -3.087 -13.119
   84    HA   THR  12           HA       THR  12  -0.565  -2.602 -15.884
   85    HB   THR  12           HB       THR  12  -2.681  -1.900 -14.777
   86    HG1  THR  12           HG1      THR  12  -2.818  -2.241 -12.549
   87   HG21  THR  12          HG21      THR  12  -3.296  -4.130 -13.943
   88   HG22  THR  12          HG22      THR  12  -2.303  -4.265 -15.414
   89   HG23  THR  12          HG23      THR  12  -1.582  -4.578 -13.811
   90    H    SER  13           H        SER  13   1.065  -0.872 -13.396
   91    HA   SER  13           HA       SER  13   0.983   1.554 -15.059
   92    HB2  SER  13           HB2      SER  13  -1.007   1.676 -13.494
   93    HB3  SER  13           HB3      SER  13   0.131   1.610 -12.136
   94    HG   SER  13           HG       SER  13  -0.437   3.764 -12.749
   95    H    GLY  14           H        GLY  14   2.045  -0.078 -12.085
   96    HA2  GLY  14           HA2      GLY  14   4.519  -0.339 -11.851
   97    HA3  GLY  14           HA3      GLY  14   4.652   1.385 -12.235
   98    H    LEU  15           H        LEU  15   5.846   1.406 -10.154
   99    HA   LEU  15           HA       LEU  15   4.682   0.755  -7.663
  100    HB2  LEU  15           HB2      LEU  15   7.075   1.100  -8.002
  101    HB3  LEU  15           HB3      LEU  15   6.802   2.784  -8.473
  102    HG   LEU  15           HG       LEU  15   5.991   3.330  -6.230
  103   HD11  LEU  15          HD11      LEU  15   6.251   1.676  -4.384
  104   HD12  LEU  15          HD12      LEU  15   5.037   1.141  -5.554
  105   HD13  LEU  15          HD13      LEU  15   6.668   0.426  -5.579
  106   HD21  LEU  15          HD21      LEU  15   8.393   3.515  -6.752
  107   HD22  LEU  15          HD22      LEU  15   8.133   3.079  -5.047
  108   HD23  LEU  15          HD23      LEU  15   8.640   1.835  -6.212
  109    H    THR  16           H        THR  16   4.232   3.598  -9.729
  110    HA   THR  16           HA       THR  16   3.364   5.413  -7.719
  111    HB   THR  16           HB       THR  16   2.441   5.276 -10.616
  112    HG1  THR  16           HG1      THR  16   4.264   6.570 -10.986
  113   HG21  THR  16          HG21      THR  16   2.314   7.748 -10.362
  114   HG22  THR  16          HG22      THR  16   1.219   6.909  -9.250
  115   HG23  THR  16          HG23      THR  16   2.748   7.586  -8.648
  116    H    ALA  17           H        ALA  17   1.525   2.927  -9.603
  117    HA   ALA  17           HA       ALA  17  -0.987   3.802  -8.408
  118    HB1  ALA  17           HB1      ALA  17  -0.243   1.316  -9.993
  119    HB2  ALA  17           HB2      ALA  17  -1.895   1.826  -9.563
  120    HB3  ALA  17           HB3      ALA  17  -0.920   2.838 -10.647
  121    H    CYS  18           H        CYS  18   1.528   1.398  -7.713
  122    HA   CYS  18           HA       CYS  18  -0.001  -0.100  -5.792
  123    HB2  CYS  18           HB2      CYS  18   2.001  -0.978  -6.890
  124    HB3  CYS  18           HB3      CYS  18   2.977   0.330  -6.209
  125    H    ARG  19           H        ARG  19   1.927   2.885  -5.651
  126    HA   ARG  19           HA       ARG  19   1.858   2.990  -2.740
  127    HB2  ARG  19           HB2      ARG  19   3.633   3.973  -4.255
  128    HB3  ARG  19           HB3      ARG  19   2.467   5.228  -4.716
  129    HG2  ARG  19           HG2      ARG  19   2.248   5.915  -2.355
  130    HG3  ARG  19           HG3      ARG  19   3.354   4.607  -1.862
  131    HD2  ARG  19           HD2      ARG  19   5.137   5.634  -3.261
  132    HD3  ARG  19           HD3      ARG  19   4.044   6.967  -3.662
  133    HE   ARG  19           HE       ARG  19   5.304   6.396  -1.032
  134   HH11  ARG  19          HH11      ARG  19   3.177   8.467  -2.961
  135   HH12  ARG  19          HH12      ARG  19   3.197   9.772  -1.795
  136   HH21  ARG  19          HH21      ARG  19   5.316   8.115   0.457
  137   HH22  ARG  19          HH22      ARG  19   4.404   9.572   0.129
  138    H    ASN  20           H        ASN  20  -0.015   4.356  -5.437
  139    HA   ASN  20           HA       ASN  20  -1.637   6.068  -3.771
  140    HB2  ASN  20           HB2      ASN  20  -2.054   4.902  -6.560
  141    HB3  ASN  20           HB3      ASN  20  -3.112   6.114  -5.819
  142   HD21  ASN  20          HD21      ASN  20  -2.019   6.767  -8.193
  143   HD22  ASN  20          HD22      ASN  20  -0.726   7.938  -7.984
  144    H    HIS  21           H        HIS  21  -1.600   2.643  -4.342
  145    HA   HIS  21           HA       HIS  21  -4.403   2.258  -3.516
  146    HB2  HIS  21           HB2      HIS  21  -3.405   0.916  -5.294
  147    HB3  HIS  21           HB3      HIS  21  -2.133   0.360  -4.199
  148    HD1  HIS  21           HD1      HIS  21  -5.964  -0.042  -4.638
  149    HD2  HIS  21           HD2      HIS  21  -2.633  -1.747  -2.723
  150    HE1  HIS  21           HE1      HIS  21  -6.749  -2.248  -3.627
  151    H    CYS  22           H        CYS  22  -1.108   2.019  -2.187
  152    HA   CYS  22           HA       CYS  22  -2.039   0.793   0.301
  153    HB2  CYS  22           HB2      CYS  22   0.584   2.038  -0.544
  154    HB3  CYS  22           HB3      CYS  22   0.320   1.267   1.020
  155    H    ARG  23           H        ARG  23  -1.722   4.033  -0.988
  156    HA   ARG  23           HA       ARG  23  -1.862   5.311   1.656
  157    HB2  ARG  23           HB2      ARG  23  -1.811   6.318  -1.206
  158    HB3  ARG  23           HB3      ARG  23  -2.025   7.411   0.171
  159    HG2  ARG  23           HG2      ARG  23   0.325   5.515   0.179
  160    HG3  ARG  23           HG3      ARG  23   0.365   6.958  -0.842
  161    HD2  ARG  23           HD2      ARG  23   1.391   7.435   1.323
  162    HD3  ARG  23           HD3      ARG  23  -0.073   8.396   1.071
  163    HE   ARG  23           HE       ARG  23  -0.311   5.878   2.628
  164   HH11  ARG  23          HH11      ARG  23  -0.184   9.418   2.626
  165   HH12  ARG  23          HH12      ARG  23  -0.903   9.551   4.216
  166   HH21  ARG  23          HH21      ARG  23  -1.214   6.092   4.685
  167   HH22  ARG  23          HH22      ARG  23  -1.472   7.673   5.390
  168    H    SER  24           H        SER  24  -4.042   3.635  -0.074
  169    HA   SER  24           HA       SER  24  -6.301   5.203   1.061
  170    HB2  SER  24           HB2      SER  24  -7.659   4.613  -0.882
  171    HB3  SER  24           HB3      SER  24  -6.230   5.544  -1.387
  172    HG   SER  24           HG       SER  24  -6.571   3.707  -2.695
  173    H    CYS  25           H        CYS  25  -8.297   3.675   1.224
  174    HA   CYS  25           HA       CYS  25  -7.355   1.414   2.770
  175    HB2  CYS  25           HB2      CYS  25 -10.192   2.199   2.054
  176    HB3  CYS  25           HB3      CYS  25  -9.675   1.080   3.319
  177    H    HIS  26           H        HIS  26  -7.315  -0.703   2.281
  178    HA   HIS  26           HA       HIS  26  -8.519  -1.698  -0.232
  179    HB2  HIS  26           HB2      HIS  26  -6.295  -2.736  -0.800
  180    HB3  HIS  26           HB3      HIS  26  -6.341  -0.971  -0.947
  181    HD1  HIS  26           HD1      HIS  26  -4.623   0.373   0.483
  182    HD2  HIS  26           HD2      HIS  26  -5.040  -3.684   1.543
  183    HE1  HIS  26           HE1      HIS  26  -2.818  -0.109   2.248
  184    HE2  HIS  26           HE2      HIS  26  -3.085  -2.586   2.883
  185    H    ARG  27           H        ARG  27  -8.131  -4.161  -0.346
  186    HA   ARG  27           HA       ARG  27  -9.079  -5.247   2.147
  187    HB2  ARG  27           HB2      ARG  27  -9.817  -5.981  -0.140
  188    HB3  ARG  27           HB3      ARG  27  -8.208  -6.662  -0.399
  189    HG2  ARG  27           HG2      ARG  27  -9.816  -8.396   0.262
  190    HG3  ARG  27           HG3      ARG  27  -8.543  -8.220   1.479
  191    HD2  ARG  27           HD2      ARG  27 -10.087  -6.814   2.854
  192    HD3  ARG  27           HD3      ARG  27 -11.347  -7.040   1.625
  193    HE   ARG  27           HE       ARG  27 -10.336  -9.579   2.508
  194   HH11  ARG  27          HH11      ARG  27 -12.403  -6.904   3.551
  195   HH12  ARG  27          HH12      ARG  27 -13.353  -7.908   4.621
  196   HH21  ARG  27          HH21      ARG  27 -11.595 -10.861   3.906
  197   HH22  ARG  27          HH22      ARG  27 -12.895 -10.140   4.820
  198    H    GLY  28           H        GLY  28  -8.077  -6.505   3.644
  199    HA2  GLY  28           HA2      GLY  28  -5.154  -7.046   3.331
  200    HA3  GLY  28           HA3      GLY  28  -5.950  -6.656   4.862
  201    H    ASP  29           H        ASP  29  -4.855  -8.750   5.501
  202    HA   ASP  29           HA       ASP  29  -5.923 -11.203   4.322
  203    HB2  ASP  29           HB2      ASP  29  -4.009 -10.680   6.624
  204    HB3  ASP  29           HB3      ASP  29  -4.398 -12.275   5.978
  205    H    VAL  30           H        VAL  30  -6.923  -9.112   6.873
  206    HA   VAL  30           HA       VAL  30  -8.755 -11.243   7.838
  207    HB   VAL  30           HB       VAL  30  -6.799 -11.039   9.353
  208   HG11  VAL  30          HG11      VAL  30  -6.316  -8.635   9.037
  209   HG12  VAL  30          HG12      VAL  30  -7.832  -8.217   9.862
  210   HG13  VAL  30          HG13      VAL  30  -6.537  -9.037  10.751
  211   HG21  VAL  30          HG21      VAL  30  -9.031 -11.728  10.194
  212   HG22  VAL  30          HG22      VAL  30  -8.037 -10.913  11.422
  213   HG23  VAL  30          HG23      VAL  30  -9.363 -10.029  10.635
  214    H    GLY  31           H        GLY  31  -8.305  -8.086   6.648
  215    HA2  GLY  31           HA2      GLY  31 -11.009  -7.403   6.525
  216    HA3  GLY  31           HA3      GLY  31 -10.373  -6.647   8.001
  217    H    CYS  32           H        CYS  32 -11.141  -4.776   6.305
  218    HA   CYS  32           HA       CYS  32  -9.051  -4.180   4.360
  219    HB2  CYS  32           HB2      CYS  32 -11.534  -2.681   5.220
  220    HB3  CYS  32           HB3      CYS  32 -10.374  -2.086   4.030
  221    H    VAL  33           H        VAL  33  -7.558  -2.562   4.401
  222    HA   VAL  33           HA       VAL  33  -7.134  -1.040   6.896
  223    HB   VAL  33           HB       VAL  33  -4.818  -1.813   7.083
  224   HG11  VAL  33          HG11      VAL  33  -5.182  -4.066   7.915
  225   HG12  VAL  33          HG12      VAL  33  -6.588  -3.059   8.331
  226   HG13  VAL  33          HG13      VAL  33  -6.687  -4.221   6.988
  227   HG21  VAL  33          HG21      VAL  33  -5.518  -3.755   4.837
  228   HG22  VAL  33          HG22      VAL  33  -4.388  -2.380   4.726
  229   HG23  VAL  33          HG23      VAL  33  -4.013  -3.751   5.785
  230    H    ARG  34           H        ARG  34  -5.227   0.454   6.648
  231    HA   ARG  34           HA       ARG  34  -4.587   1.198   3.851
  232    HB2  ARG  34           HB2      ARG  34  -4.908   3.580   4.427
  233    HB3  ARG  34           HB3      ARG  34  -6.423   2.665   4.520
  234    HG2  ARG  34           HG2      ARG  34  -6.157   2.494   6.991
  235    HG3  ARG  34           HG3      ARG  34  -4.664   3.452   6.884
  236    HD2  ARG  34           HD2      ARG  34  -5.928   5.338   5.930
  237    HD3  ARG  34           HD3      ARG  34  -7.417   4.368   5.963
  238    HE   ARG  34           HE       ARG  34  -6.319   4.432   8.586
  239   HH11  ARG  34          HH11      ARG  34  -7.881   6.581   6.254
  240   HH12  ARG  34          HH12      ARG  34  -8.560   7.617   7.493
  241   HH21  ARG  34          HH21      ARG  34  -7.203   5.795  10.167
  242   HH22  ARG  34          HH22      ARG  34  -8.171   7.174   9.699
  243    H    CYS  35           H        CYS  35  -2.492   2.358   3.724
  244    HA   CYS  35           HA       CYS  35  -0.818   1.868   6.148
  245    HB2  CYS  35           HB2      CYS  35  -0.143   1.165   3.289
  246    HB3  CYS  35           HB3      CYS  35   0.879   0.900   4.692
  247    H    SER  36           H        SER  36   1.596   2.625   5.337
  248    HA   SER  36           HA       SER  36   1.231   5.541   5.090
  249    HB2  SER  36           HB2      SER  36   3.483   5.578   6.089
  250    HB3  SER  36           HB3      SER  36   2.362   4.574   7.047
  251    HG   SER  36           HG       SER  36   4.351   3.531   6.716
  252    H    ASN  37           H        ASN  37   2.983   2.841   3.526
  253    HA   ASN  37           HA       ASN  37   3.538   4.521   1.185
  254    HB2  ASN  37           HB2      ASN  37   5.376   4.924   2.930
  255    HB3  ASN  37           HB3      ASN  37   5.838   3.236   2.722
  256   HD21  ASN  37          HD21      ASN  37   7.928   4.369   2.141
  257   HD22  ASN  37          HD22      ASN  37   8.149   4.830   0.468
  258    H    ALA  38           H        ALA  38   5.193   2.910  -0.269
  259    HA   ALA  38           HA       ALA  38   4.293   0.122  -0.041
  260    HB1  ALA  38           HB1      ALA  38   3.643   1.828  -2.478
  261    HB2  ALA  38           HB2      ALA  38   3.232   0.115  -2.231
  262    HB3  ALA  38           HB3      ALA  38   2.460   1.363  -1.230
  263    H    GLN  39           H        GLN  39   5.202  -1.251  -1.743
  264    HA   GLN  39           HA       GLN  39   7.321  -0.186  -3.448
  265    HB2  GLN  39           HB2      GLN  39   9.040  -1.714  -2.622
  266    HB3  GLN  39           HB3      GLN  39   8.559  -0.581  -1.352
  267    HG2  GLN  39           HG2      GLN  39   7.187  -2.288  -0.284
  268    HG3  GLN  39           HG3      GLN  39   7.460  -3.414  -1.627
  269   HE21  GLN  39          HE21      GLN  39   9.389  -1.450   0.734
  270   HE22  GLN  39          HE22      GLN  39  10.594  -2.692   1.002
  271    H    CYS  40           H        CYS  40   8.161  -1.960  -4.898
  272    HA   CYS  40           HA       CYS  40   5.979  -3.906  -5.446
  273    HB2  CYS  40           HB2      CYS  40   8.243  -2.867  -7.168
  274    HB3  CYS  40           HB3      CYS  40   7.095  -4.118  -7.664
  275    H    THR  41           H        THR  41   6.361  -6.089  -5.641
  276    HA   THR  41           HA       THR  41   8.994  -7.119  -4.714
  277    HB   THR  41           HB       THR  41   7.805  -8.619  -3.157
  278    HG1  THR  41           HG1      THR  41   5.619  -8.161  -2.728
  279   HG21  THR  41          HG21      THR  41   7.273  -6.976  -1.438
  280   HG22  THR  41          HG22      THR  41   8.692  -6.429  -2.350
  281   HG23  THR  41          HG23      THR  41   7.099  -5.694  -2.661
  282    H    GLY  42           H        GLY  42   8.695  -9.699  -4.659
  283    HA2  GLY  42           HA2      GLY  42   7.804 -11.613  -5.797
  284    HA3  GLY  42           HA3      GLY  42   7.303 -10.578  -7.139
  285    H    PHE  43           H        PHE  43   8.512 -12.546  -8.155
  286    HA   PHE  43           HA       PHE  43  11.359 -12.700  -8.018
  287    HB2  PHE  43           HB2      PHE  43  10.044 -14.580  -8.753
  288    HB3  PHE  43           HB3      PHE  43   9.267 -13.625 -10.015
  289    HD1  PHE  43           HD2      PHE  43  12.643 -14.908  -8.984
  290    HD2  PHE  43           HD1      PHE  43  10.080 -13.616 -12.186
  291    HE1  PHE  43           HE2      PHE  43  14.372 -15.568 -10.637
  292    HE2  PHE  43           HE1      PHE  43  11.814 -14.270 -13.838
  293    HZ   PHE  43           HZ       PHE  43  13.960 -15.237 -13.068
  294    H    LEU  44           H        LEU  44   9.223 -10.534  -9.767
  295    HA   LEU  44           HA       LEU  44  11.588  -9.321 -11.030
  296    HB2  LEU  44           HB2      LEU  44  10.471 -11.083 -12.538
  297    HB3  LEU  44           HB3      LEU  44   9.104  -9.976 -12.656
  298    HG   LEU  44           HG       LEU  44  10.650  -8.243 -13.635
  299   HD11  LEU  44          HD11      LEU  44  12.676 -10.517 -13.489
  300   HD12  LEU  44          HD12      LEU  44  12.898  -9.007 -14.401
  301   HD13  LEU  44          HD13      LEU  44  12.785  -8.959 -12.632
  302   HD21  LEU  44          HD21      LEU  44  10.956  -9.388 -15.786
  303   HD22  LEU  44          HD22      LEU  44  10.723 -10.964 -14.994
  304   HD23  LEU  44          HD23      LEU  44   9.379  -9.802 -15.073
  305    H    GLY  45           H        GLY  45   9.521  -8.691  -8.846
  306    HA2  GLY  45           HA2      GLY  45   8.691  -6.692  -8.052
  307    HA3  GLY  45           HA3      GLY  45   9.240  -5.891  -9.533
  308    H    THR  46           H        THR  46   7.222  -8.716  -9.927
  309    HA   THR  46           HA       THR  46   5.234  -7.057 -11.260
  310    HB   THR  46           HB       THR  46   4.279  -9.318 -11.887
  311    HG1  THR  46           HG1      THR  46   5.594 -11.088 -11.387
  312   HG21  THR  46          HG21      THR  46   6.143  -9.869 -13.402
  313   HG22  THR  46          HG22      THR  46   5.863  -8.118 -13.342
  314   HG23  THR  46          HG23      THR  46   7.232  -8.820 -12.458
  315    H    THR  47           H        THR  47   5.524  -7.553  -8.075
  316    HA   THR  47           HA       THR  47   2.571  -7.781  -7.693
  317    HB   THR  47           HB       THR  47   4.753  -8.928  -5.910
  318    HG1  THR  47           HG1      THR  47   3.900 -10.887  -6.621
  319   HG21  THR  47          HG21      THR  47   2.809 -10.006  -4.750
  320   HG22  THR  47          HG22      THR  47   2.823  -8.246  -4.577
  321   HG23  THR  47          HG23      THR  47   1.713  -9.009  -5.741
  322    H    CYS  48           H        CYS  48   1.697  -6.537  -5.975
  323    HA   CYS  48           HA       CYS  48   3.384  -4.214  -5.190
  324    HB2  CYS  48           HB2      CYS  48   1.426  -3.643  -6.472
  325    HB3  CYS  48           HB3      CYS  48   0.401  -4.646  -5.441
  326    H    THR  49           H        THR  49   3.686  -3.671  -3.078
  327    HA   THR  49           HA       THR  49   2.239  -5.150  -0.954
  328    HB   THR  49           HB       THR  49   5.267  -4.959  -1.208
  329    HG1  THR  49           HG1      THR  49   4.308  -6.608  -2.433
  330   HG21  THR  49          HG21      THR  49   4.654  -4.733   1.142
  331   HG22  THR  49          HG22      THR  49   3.501  -6.085   1.004
  332   HG23  THR  49          HG23      THR  49   5.249  -6.379   0.867
  333    H    CYS  50           H        CYS  50   2.102  -4.013   1.016
  334    HA   CYS  50           HA       CYS  50   2.715  -1.115   0.739
  335    HB2  CYS  50           HB2      CYS  50   0.798  -2.522   2.620
  336    HB3  CYS  50           HB3      CYS  50   1.003  -0.784   2.428
  337    H    ILE  51           H        ILE  51   3.264   0.059   2.745
  338    HA   ILE  51           HA       ILE  51   5.292  -1.471   4.311
  339    HB   ILE  51           HB       ILE  51   5.058   1.477   3.623
  340   HG12  ILE  51          HG12      ILE  51   5.665   0.127   1.670
  341   HG13  ILE  51          HG13      ILE  51   7.011   1.135   2.201
  342   HG21  ILE  51          HG21      ILE  51   7.182  -0.044   5.165
  343   HG22  ILE  51          HG22      ILE  51   7.393   1.607   4.524
  344   HG23  ILE  51          HG23      ILE  51   6.151   1.294   5.741
  345   HD11  ILE  51          HD11      ILE  51   7.783  -1.100   1.584
  346   HD12  ILE  51          HD12      ILE  51   8.046  -0.829   3.318
  347   HD13  ILE  51          HD13      ILE  51   6.685  -1.843   2.768
  348    H    ASN  52           H        ASN  52   5.445  -1.158   6.556
  349    HA   ASN  52           HA       ASN  52   2.907  -0.672   7.846
  350    HB2  ASN  52           HB2      ASN  52   4.133  -1.331   9.885
  351    HB3  ASN  52           HB3      ASN  52   4.454  -2.453   8.553
  352   HD21  ASN  52          HD21      ASN  52   5.824  -0.003  10.680
  353   HD22  ASN  52          HD22      ASN  52   7.487  -0.219  10.170
  354    HA   PRO  53           HA       PRO  53   2.383  -0.186  10.161
  355    HB2  PRO  53           HB2      PRO  53   0.607   1.571  11.203
  356    HB3  PRO  53           HB3      PRO  53   2.258   1.408  11.873
  357    HG2  PRO  53           HG2      PRO  53   1.279   3.449   9.843
  358    HG3  PRO  53           HG3      PRO  53   2.171   3.755  11.376
  359    HD2  PRO  53           HD2      PRO  53   3.447   3.581   8.972
  360    HD3  PRO  53           HD3      PRO  53   4.187   2.919  10.460
  361    H    CYS  54           H        CYS  54   0.110  -0.745   9.935
  362    HA   CYS  54           HA       CYS  54  -1.269   0.408   7.577
  363    HB2  CYS  54           HB2      CYS  54  -0.620  -2.495   8.123
  364    HB3  CYS  54           HB3      CYS  54  -1.921  -2.014   7.046
  365    HA   PRO  55           HA       PRO  55  -3.954  -0.069  11.399
  366    HB2  PRO  55           HB2      PRO  55  -5.160   2.406  11.201
  367    HB3  PRO  55           HB3      PRO  55  -3.604   2.125  12.045
  368    HG2  PRO  55           HG2      PRO  55  -4.015   3.051   9.185
  369    HG3  PRO  55           HG3      PRO  55  -2.970   3.790  10.444
  370    HD2  PRO  55           HD2      PRO  55  -1.923   2.108   8.623
  371    HD3  PRO  55           HD3      PRO  55  -1.429   1.968  10.339
  372    H    ARG  56           H        ARG  56  -6.338  -0.120  11.470
  373    HA   ARG  56           HA       ARG  56  -7.344  -1.227   8.986
  374    HB2  ARG  56           HB2      ARG  56  -8.658  -0.844  11.697
  375    HB3  ARG  56           HB3      ARG  56  -9.341  -1.757  10.335
  376    HG2  ARG  56           HG2      ARG  56  -7.328  -3.247  10.359
  377    HG3  ARG  56           HG3      ARG  56  -6.730  -2.379  11.791
  378    HD2  ARG  56           HD2      ARG  56  -8.816  -2.996  12.999
  379    HD3  ARG  56           HD3      ARG  56  -9.366  -3.888  11.564
  380    HE   ARG  56           HE       ARG  56  -6.793  -4.842  12.260
  381   HH11  ARG  56          HH11      ARG  56 -10.091  -4.839  13.526
  382   HH12  ARG  56          HH12      ARG  56  -9.898  -6.358  14.373
  383   HH21  ARG  56          HH21      ARG  56  -6.567  -6.828  13.363
  384   HH22  ARG  56          HH22      ARG  56  -7.907  -7.486  14.271
  385    H    CYS  57           H        CYS  57  -9.440  -0.715   8.078
  386    HA   CYS  57           HA       CYS  57 -10.365   2.077   8.377
  387    HB2  CYS  57           HB2      CYS  57  -8.618   2.194   6.683
  388    HB3  CYS  57           HB3      CYS  57  -9.333   0.835   5.809
  Start of MODEL    9
    1    HA   PCA   1           HA       PCA   1 -16.384   4.433   0.061
    2    HB2  PCA   1           HB2      PCA   1 -14.993   3.314   2.131
    3    HB3  PCA   1           HB3      PCA   1 -15.672   4.981   2.221
    4    HG2  PCA   1           HG2      PCA   1 -16.766   4.067   4.102
    5    HG3  PCA   1           HG3      PCA   1 -16.822   2.427   3.368
    6    H    ASN   2           H        ASN   2 -14.643   2.733  -0.377
    7    HA   ASN   2           HA       ASN   2 -15.617  -0.054  -0.355
    8    HB2  ASN   2           HB2      ASN   2 -16.374   1.018  -2.487
    9    HB3  ASN   2           HB3      ASN   2 -14.705   1.468  -2.834
   10   HD21  ASN   2          HD21      ASN   2 -14.869   0.282  -4.795
   11   HD22  ASN   2          HD22      ASN   2 -14.763  -1.469  -4.817
   12    H    CYS   3           H        CYS   3 -13.894  -1.585  -0.676
   13    HA   CYS   3           HA       CYS   3 -11.134  -0.563  -0.706
   14    HB2  CYS   3           HB2      CYS   3 -10.601  -1.909   1.339
   15    HB3  CYS   3           HB3      CYS   3 -11.526  -0.436   1.601
   16    HA   PRO   4           HA       PRO   4 -11.808  -4.454  -3.073
   17    HB2  PRO   4           HB2      PRO   4 -10.567  -3.698  -5.373
   18    HB3  PRO   4           HB3      PRO   4 -12.214  -3.121  -4.950
   19    HG2  PRO   4           HG2      PRO   4  -9.569  -1.704  -4.496
   20    HG3  PRO   4           HG3      PRO   4 -11.046  -1.054  -5.282
   21    HD2  PRO   4           HD2      PRO   4 -10.492  -0.616  -2.643
   22    HD3  PRO   4           HD3      PRO   4 -12.172  -0.865  -3.215
   23    H    THR   5           H        THR   5 -10.061  -5.805  -4.291
   24    HA   THR   5           HA       THR   5  -7.496  -5.650  -2.760
   25    HB   THR   5           HB       THR   5  -8.755  -8.094  -4.054
   26    HG1  THR   5           HG1      THR   5 -10.061  -7.359  -2.383
   27   HG21  THR   5          HG21      THR   5  -7.181  -9.283  -2.548
   28   HG22  THR   5          HG22      THR   5  -6.323  -8.233  -3.691
   29   HG23  THR   5          HG23      THR   5  -6.534  -7.714  -2.001
   30    H    ARG   6           H        ARG   6  -5.763  -5.076  -3.967
   31    HA   ARG   6           HA       ARG   6  -5.521  -6.076  -6.752
   32    HB2  ARG   6           HB2      ARG   6  -5.074  -3.215  -5.800
   33    HB3  ARG   6           HB3      ARG   6  -4.574  -3.828  -7.381
   34    HG2  ARG   6           HG2      ARG   6  -7.482  -3.830  -6.479
   35    HG3  ARG   6           HG3      ARG   6  -6.707  -2.464  -7.287
   36    HD2  ARG   6           HD2      ARG   6  -7.791  -3.682  -8.994
   37    HD3  ARG   6           HD3      ARG   6  -6.059  -3.995  -9.169
   38    HE   ARG   6           HE       ARG   6  -7.493  -5.984  -7.570
   39   HH11  ARG   6          HH11      ARG   6  -6.532  -5.050 -10.843
   40   HH12  ARG   6          HH12      ARG   6  -6.620  -6.682 -11.458
   41   HH21  ARG   6          HH21      ARG   6  -7.629  -8.094  -8.406
   42   HH22  ARG   6          HH22      ARG   6  -7.260  -8.396 -10.087
   43    H    ARG   7           H        ARG   7  -3.486  -6.766  -7.216
   44    HA   ARG   7           HA       ARG   7  -1.245  -6.004  -5.410
   45    HB2  ARG   7           HB2      ARG   7  -1.978  -8.838  -6.261
   46    HB3  ARG   7           HB3      ARG   7  -0.508  -8.386  -5.397
   47    HG2  ARG   7           HG2      ARG   7  -3.346  -8.066  -4.338
   48    HG3  ARG   7           HG3      ARG   7  -2.223  -9.360  -3.915
   49    HD2  ARG   7           HD2      ARG   7  -1.823  -6.388  -3.346
   50    HD3  ARG   7           HD3      ARG   7  -2.277  -7.623  -2.168
   51    HE   ARG   7           HE       ARG   7   0.376  -7.060  -3.226
   52   HH11  ARG   7          HH11      ARG   7  -1.633  -9.579  -1.754
   53   HH12  ARG   7          HH12      ARG   7  -0.251 -10.458  -1.133
   54   HH21  ARG   7          HH21      ARG   7   2.116  -8.185  -2.371
   55   HH22  ARG   7          HH22      ARG   7   1.871  -9.666  -1.471
   56    H    GLY   8           H        GLY   8  -2.471  -6.483  -8.580
   57    HA2  GLY   8           HA2      GLY   8   0.134  -7.068  -9.802
   58    HA3  GLY   8           HA3      GLY   8  -1.440  -6.943 -10.612
   59    H    LEU   9           H        LEU   9  -0.869  -4.331  -8.459
   60    HA   LEU   9           HA       LEU   9  -1.133  -2.410 -10.514
   61    HB2  LEU   9           HB2      LEU   9  -0.054  -2.159  -7.682
   62    HB3  LEU   9           HB3      LEU   9  -0.568  -0.799  -8.692
   63    HG   LEU   9           HG       LEU   9  -2.395  -3.106  -7.885
   64   HD11  LEU   9          HD11      LEU   9  -3.374  -1.488  -6.296
   65   HD12  LEU   9          HD12      LEU   9  -1.672  -1.815  -5.918
   66   HD13  LEU   9          HD13      LEU   9  -2.119  -0.303  -6.732
   67   HD21  LEU   9          HD21      LEU   9  -2.940  -0.371  -9.117
   68   HD22  LEU   9          HD22      LEU   9  -3.091  -1.938  -9.948
   69   HD23  LEU   9          HD23      LEU   9  -4.178  -1.537  -8.604
   70    H    CYS  10           H        CYS  10   1.760  -3.980  -9.272
   71    HA   CYS  10           HA       CYS  10   3.575  -1.920 -10.229
   72    HB2  CYS  10           HB2      CYS  10   3.950  -4.757  -9.237
   73    HB3  CYS  10           HB3      CYS  10   5.287  -3.715  -9.726
   74    H    VAL  11           H        VAL  11   1.627  -3.934 -11.978
   75    HA   VAL  11           HA       VAL  11   3.618  -4.077 -14.196
   76    HB   VAL  11           HB       VAL  11   1.488  -6.137 -13.505
   77   HG11  VAL  11          HG11      VAL  11   3.684  -6.118 -15.627
   78   HG12  VAL  11          HG12      VAL  11   2.638  -7.498 -15.244
   79   HG13  VAL  11          HG13      VAL  11   1.930  -6.030 -15.932
   80   HG21  VAL  11          HG21      VAL  11   4.519  -6.227 -13.219
   81   HG22  VAL  11          HG22      VAL  11   3.333  -6.229 -11.899
   82   HG23  VAL  11          HG23      VAL  11   3.425  -7.615 -13.006
   83    H    THR  12           H        THR  12   0.354  -3.288 -13.107
   84    HA   THR  12           HA       THR  12  -0.548  -2.957 -15.909
   85    HB   THR  12           HB       THR  12  -2.768  -2.573 -14.859
   86    HG1  THR  12           HG1      THR  12  -2.933  -2.965 -12.635
   87   HG21  THR  12          HG21      THR  12  -1.349  -5.100 -13.898
   88   HG22  THR  12          HG22      THR  12  -3.102  -4.885 -14.091
   89   HG23  THR  12          HG23      THR  12  -2.044  -4.858 -15.516
   90    H    SER  13           H        SER  13   0.600  -1.037 -13.205
   91    HA   SER  13           HA       SER  13   0.105   1.422 -14.802
   92    HB2  SER  13           HB2      SER  13  -0.821   0.814 -11.978
   93    HB3  SER  13           HB3      SER  13  -0.604   2.469 -12.579
   94    HG   SER  13           HG       SER  13  -2.756   1.687 -12.849
   95    H    GLY  14           H        GLY  14   1.934  -0.359 -12.372
   96    HA2  GLY  14           HA2      GLY  14   4.298   0.008 -12.172
   97    HA3  GLY  14           HA3      GLY  14   4.058   1.724 -12.514
   98    H    LEU  15           H        LEU  15   5.545   1.583 -10.497
   99    HA   LEU  15           HA       LEU  15   4.563   0.796  -7.968
  100    HB2  LEU  15           HB2      LEU  15   6.926   1.157  -8.446
  101    HB3  LEU  15           HB3      LEU  15   6.633   2.858  -8.826
  102    HG   LEU  15           HG       LEU  15   5.983   3.291  -6.487
  103   HD11  LEU  15          HD11      LEU  15   5.131   1.039  -5.872
  104   HD12  LEU  15          HD12      LEU  15   6.778   0.377  -6.020
  105   HD13  LEU  15          HD13      LEU  15   6.404   1.572  -4.758
  106   HD21  LEU  15          HD21      LEU  15   8.226   3.018  -5.514
  107   HD22  LEU  15          HD22      LEU  15   8.652   1.854  -6.789
  108   HD23  LEU  15          HD23      LEU  15   8.326   3.550  -7.205
  109    H    THR  16           H        THR  16   4.046   3.786  -9.813
  110    HA   THR  16           HA       THR  16   3.301   5.452  -7.631
  111    HB   THR  16           HB       THR  16   2.236   5.538 -10.485
  112    HG1  THR  16           HG1      THR  16   4.053   6.845 -10.838
  113   HG21  THR  16          HG21      THR  16   1.095   7.083  -8.944
  114   HG22  THR  16          HG22      THR  16   2.663   7.691  -8.366
  115   HG23  THR  16          HG23      THR  16   2.163   7.980 -10.046
  116    H    ALA  17           H        ALA  17   1.423   3.033  -9.495
  117    HA   ALA  17           HA       ALA  17  -1.079   3.872  -8.241
  118    HB1  ALA  17           HB1      ALA  17  -0.350   1.420  -9.885
  119    HB2  ALA  17           HB2      ALA  17  -1.997   1.904  -9.427
  120    HB3  ALA  17           HB3      ALA  17  -1.040   2.947 -10.508
  121    H    CYS  18           H        CYS  18   1.479   1.473  -7.673
  122    HA   CYS  18           HA       CYS  18   0.037  -0.060  -5.713
  123    HB2  CYS  18           HB2      CYS  18   2.000  -0.907  -6.895
  124    HB3  CYS  18           HB3      CYS  18   2.989   0.401  -6.251
  125    H    ARG  19           H        ARG  19   1.907   2.946  -5.658
  126    HA   ARG  19           HA       ARG  19   2.064   3.062  -2.756
  127    HB2  ARG  19           HB2      ARG  19   3.638   4.055  -4.569
  128    HB3  ARG  19           HB3      ARG  19   2.454   5.360  -4.699
  129    HG2  ARG  19           HG2      ARG  19   2.715   5.824  -2.259
  130    HG3  ARG  19           HG3      ARG  19   3.860   4.469  -2.140
  131    HD2  ARG  19           HD2      ARG  19   5.271   5.625  -3.904
  132    HD3  ARG  19           HD3      ARG  19   4.191   7.023  -3.767
  133    HE   ARG  19           HE       ARG  19   5.378   6.053  -1.246
  134   HH11  ARG  19          HH11      ARG  19   5.617   8.329  -3.938
  135   HH12  ARG  19          HH12      ARG  19   6.695   9.406  -3.078
  136   HH21  ARG  19          HH21      ARG  19   6.787   7.462  -0.157
  137   HH22  ARG  19          HH22      ARG  19   7.334   8.929  -0.932
  138    H    ASN  20           H        ASN  20  -0.075   4.303  -5.284
  139    HA   ASN  20           HA       ASN  20  -1.558   6.029  -3.469
  140    HB2  ASN  20           HB2      ASN  20  -2.141   4.984  -6.266
  141    HB3  ASN  20           HB3      ASN  20  -3.141   6.168  -5.415
  142   HD21  ASN  20          HD21      ASN  20  -2.116   6.866  -7.845
  143   HD22  ASN  20          HD22      ASN  20  -0.826   8.043  -7.654
  144    H    HIS  21           H        HIS  21  -1.696   2.625  -4.382
  145    HA   HIS  21           HA       HIS  21  -4.432   2.275  -3.435
  146    HB2  HIS  21           HB2      HIS  21  -3.465   0.935  -5.252
  147    HB3  HIS  21           HB3      HIS  21  -2.235   0.305  -4.152
  148    HD1  HIS  21           HD1      HIS  21  -6.103   0.186  -4.526
  149    HD2  HIS  21           HD2      HIS  21  -2.849  -1.871  -2.848
  150    HE1  HIS  21           HE1      HIS  21  -7.024  -2.011  -3.601
  151    H    CYS  22           H        CYS  22  -1.122   1.789  -2.165
  152    HA   CYS  22           HA       CYS  22  -2.037   0.529   0.282
  153    HB2  CYS  22           HB2      CYS  22   0.554   1.852  -0.567
  154    HB3  CYS  22           HB3      CYS  22   0.336   1.077   1.003
  155    H    ARG  23           H        ARG  23  -1.679   3.858  -0.846
  156    HA   ARG  23           HA       ARG  23  -1.958   4.906   1.893
  157    HB2  ARG  23           HB2      ARG  23  -1.497   6.209  -0.807
  158    HB3  ARG  23           HB3      ARG  23  -1.864   7.143   0.655
  159    HG2  ARG  23           HG2      ARG  23   0.047   6.144   1.826
  160    HG3  ARG  23           HG3      ARG  23   0.474   5.202   0.380
  161    HD2  ARG  23           HD2      ARG  23   0.904   7.228  -0.882
  162    HD3  ARG  23           HD3      ARG  23   0.246   8.238   0.422
  163    HE   ARG  23           HE       ARG  23   2.317   6.758   1.574
  164   HH11  ARG  23          HH11      ARG  23   1.984   9.176  -0.987
  165   HH12  ARG  23          HH12      ARG  23   3.577   9.844  -0.722
  166   HH21  ARG  23          HH21      ARG  23   4.367   7.650   1.909
  167   HH22  ARG  23          HH22      ARG  23   4.928   8.984   0.927
  168    H    SER  24           H        SER  24  -4.051   3.374   0.146
  169    HA   SER  24           HA       SER  24  -6.302   5.121   0.982
  170    HB2  SER  24           HB2      SER  24  -5.954   5.285  -1.483
  171    HB3  SER  24           HB3      SER  24  -6.177   3.524  -1.602
  172    HG   SER  24           HG       SER  24  -8.113   4.718  -1.969
  173    H    CYS  25           H        CYS  25  -8.370   3.739   1.076
  174    HA   CYS  25           HA       CYS  25  -7.749   1.512   2.808
  175    HB2  CYS  25           HB2      CYS  25  -9.650   3.150   3.084
  176    HB3  CYS  25           HB3      CYS  25 -10.448   2.363   1.716
  177    H    HIS  26           H        HIS  26  -7.426  -0.570   2.246
  178    HA   HIS  26           HA       HIS  26  -8.693  -1.631  -0.222
  179    HB2  HIS  26           HB2      HIS  26  -6.498  -2.669  -0.806
  180    HB3  HIS  26           HB3      HIS  26  -6.494  -0.904  -0.915
  181    HD1  HIS  26           HD1      HIS  26  -4.763   0.361   0.570
  182    HD2  HIS  26           HD2      HIS  26  -5.239  -3.721   1.475
  183    HE1  HIS  26           HE1      HIS  26  -2.953  -0.215   2.303
  184    HE2  HIS  26           HE2      HIS  26  -3.273  -2.702   2.861
  185    H    ARG  27           H        ARG  27  -8.511  -4.064  -0.270
  186    HA   ARG  27           HA       ARG  27  -9.316  -5.072   2.312
  187    HB2  ARG  27           HB2      ARG  27  -9.634  -5.788  -0.411
  188    HB3  ARG  27           HB3      ARG  27  -8.793  -7.140   0.336
  189    HG2  ARG  27           HG2      ARG  27 -11.414  -5.881   1.271
  190    HG3  ARG  27           HG3      ARG  27 -11.242  -7.428   0.430
  191    HD2  ARG  27           HD2      ARG  27 -10.155  -6.764   3.203
  192    HD3  ARG  27           HD3      ARG  27 -11.579  -7.738   2.850
  193    HE   ARG  27           HE       ARG  27  -8.765  -8.543   2.584
  194   HH11  ARG  27          HH11      ARG  27 -12.113  -9.300   1.722
  195   HH12  ARG  27          HH12      ARG  27 -11.755 -10.980   1.391
  196   HH21  ARG  27          HH21      ARG  27  -8.342 -10.700   2.156
  197   HH22  ARG  27          HH22      ARG  27  -9.627 -11.776   1.637
  198    H    GLY  28           H        GLY  28  -8.204  -6.248   3.783
  199    HA2  GLY  28           HA2      GLY  28  -5.309  -6.754   3.308
  200    HA3  GLY  28           HA3      GLY  28  -6.125  -6.608   4.873
  201    H    ASP  29           H        ASP  29  -5.206  -8.618   5.552
  202    HA   ASP  29           HA       ASP  29  -5.924 -11.046   4.065
  203    HB2  ASP  29           HB2      ASP  29  -3.690 -10.675   5.097
  204    HB3  ASP  29           HB3      ASP  29  -4.443 -10.653   6.693
  205    H    VAL  30           H        VAL  30  -7.212  -9.161   6.684
  206    HA   VAL  30           HA       VAL  30  -9.222 -11.284   7.197
  207    HB   VAL  30           HB       VAL  30  -7.399 -11.431   8.879
  208   HG11  VAL  30          HG11      VAL  30  -8.314  -8.640   9.705
  209   HG12  VAL  30          HG12      VAL  30  -7.148  -9.661  10.572
  210   HG13  VAL  30          HG13      VAL  30  -6.755  -9.037   8.960
  211   HG21  VAL  30          HG21      VAL  30  -9.739 -12.072   9.425
  212   HG22  VAL  30          HG22      VAL  30  -8.816 -11.508  10.838
  213   HG23  VAL  30          HG23      VAL  30 -10.005 -10.434  10.078
  214    H    GLY  31           H        GLY  31  -8.493  -7.999   6.561
  215    HA2  GLY  31           HA2      GLY  31 -11.211  -7.195   6.446
  216    HA3  GLY  31           HA3      GLY  31 -10.489  -6.583   7.953
  217    H    CYS  32           H        CYS  32 -11.269  -4.640   6.225
  218    HA   CYS  32           HA       CYS  32  -9.135  -4.058   4.332
  219    HB2  CYS  32           HB2      CYS  32 -11.590  -2.496   5.169
  220    HB3  CYS  32           HB3      CYS  32 -10.411  -1.944   3.974
  221    H    VAL  33           H        VAL  33  -7.593  -2.520   4.404
  222    HA   VAL  33           HA       VAL  33  -7.209  -0.933   6.860
  223    HB   VAL  33           HB       VAL  33  -4.903  -1.746   7.120
  224   HG11  VAL  33          HG11      VAL  33  -6.856  -4.075   7.167
  225   HG12  VAL  33          HG12      VAL  33  -5.361  -3.910   8.113
  226   HG13  VAL  33          HG13      VAL  33  -6.732  -2.826   8.428
  227   HG21  VAL  33          HG21      VAL  33  -4.487  -2.481   4.802
  228   HG22  VAL  33          HG22      VAL  33  -4.138  -3.772   5.966
  229   HG23  VAL  33          HG23      VAL  33  -5.639  -3.819   5.009
  230    H    ARG  34           H        ARG  34  -5.266   0.503   6.607
  231    HA   ARG  34           HA       ARG  34  -4.516   1.122   3.809
  232    HB2  ARG  34           HB2      ARG  34  -4.792   3.531   4.267
  233    HB3  ARG  34           HB3      ARG  34  -6.329   2.652   4.326
  234    HG2  ARG  34           HG2      ARG  34  -6.195   2.585   6.805
  235    HG3  ARG  34           HG3      ARG  34  -4.666   3.490   6.743
  236    HD2  ARG  34           HD2      ARG  34  -5.793   5.388   5.695
  237    HD3  ARG  34           HD3      ARG  34  -7.310   4.474   5.596
  238    HE   ARG  34           HE       ARG  34  -6.608   4.440   8.295
  239   HH11  ARG  34          HH11      ARG  34  -7.368   6.899   5.870
  240   HH12  ARG  34          HH12      ARG  34  -8.000   8.030   7.044
  241   HH21  ARG  34          HH21      ARG  34  -7.441   5.930   9.799
  242   HH22  ARG  34          HH22      ARG  34  -8.051   7.479   9.258
  243    H    CYS  35           H        CYS  35  -2.412   2.207   3.700
  244    HA   CYS  35           HA       CYS  35  -0.806   1.788   6.180
  245    HB2  CYS  35           HB2      CYS  35  -0.094   1.047   3.338
  246    HB3  CYS  35           HB3      CYS  35   0.929   0.821   4.759
  247    H    SER  36           H        SER  36   1.632   2.534   5.346
  248    HA   SER  36           HA       SER  36   1.228   5.459   5.074
  249    HB2  SER  36           HB2      SER  36   2.353   4.464   7.079
  250    HB3  SER  36           HB3      SER  36   3.641   3.869   6.012
  251    HG   SER  36           HG       SER  36   4.123   5.922   6.965
  252    H    ASN  37           H        ASN  37   3.039   2.750   3.589
  253    HA   ASN  37           HA       ASN  37   3.592   4.433   1.247
  254    HB2  ASN  37           HB2      ASN  37   5.425   4.810   3.006
  255    HB3  ASN  37           HB3      ASN  37   5.908   3.133   2.737
  256   HD21  ASN  37          HD21      ASN  37   7.982   4.289   2.139
  257   HD22  ASN  37          HD22      ASN  37   8.153   4.821   0.478
  258    H    ALA  38           H        ALA  38   5.245   2.837  -0.216
  259    HA   ALA  38           HA       ALA  38   4.372   0.051  -0.008
  260    HB1  ALA  38           HB1      ALA  38   2.495   1.293  -1.150
  261    HB2  ALA  38           HB2      ALA  38   3.650   1.745  -2.430
  262    HB3  ALA  38           HB3      ALA  38   3.250   0.034  -2.164
  263    H    GLN  39           H        GLN  39   5.301  -1.282  -1.777
  264    HA   GLN  39           HA       GLN  39   7.336  -0.107  -3.493
  265    HB2  GLN  39           HB2      GLN  39   9.155  -1.529  -2.716
  266    HB3  GLN  39           HB3      GLN  39   8.620  -0.465  -1.411
  267    HG2  GLN  39           HG2      GLN  39   7.359  -2.291  -0.376
  268    HG3  GLN  39           HG3      GLN  39   7.735  -3.360  -1.742
  269   HE21  GLN  39          HE21      GLN  39   9.461  -1.258   0.655
  270   HE22  GLN  39          HE22      GLN  39  10.775  -2.386   0.921
  271    H    CYS  40           H        CYS  40   8.230  -1.814  -4.995
  272    HA   CYS  40           HA       CYS  40   6.151  -3.870  -5.496
  273    HB2  CYS  40           HB2      CYS  40   8.319  -2.701  -7.259
  274    HB3  CYS  40           HB3      CYS  40   7.243  -4.016  -7.739
  275    H    THR  41           H        THR  41   6.627  -6.037  -5.596
  276    HA   THR  41           HA       THR  41   9.377  -6.908  -4.865
  277    HB   THR  41           HB       THR  41   8.455  -8.394  -3.153
  278    HG1  THR  41           HG1      THR  41   6.001  -7.057  -3.611
  279   HG21  THR  41          HG21      THR  41   7.486  -5.544  -2.698
  280   HG22  THR  41          HG22      THR  41   7.886  -6.754  -1.454
  281   HG23  THR  41          HG23      THR  41   9.167  -6.096  -2.494
  282    H    GLY  42           H        GLY  42   9.207  -9.511  -4.734
  283    HA2  GLY  42           HA2      GLY  42   8.225 -11.476  -5.749
  284    HA3  GLY  42           HA3      GLY  42   7.689 -10.485  -7.111
  285    H    PHE  43           H        PHE  43   8.844 -12.395  -8.189
  286    HA   PHE  43           HA       PHE  43  11.698 -12.612  -8.087
  287    HB2  PHE  43           HB2      PHE  43  10.338 -14.444  -8.839
  288    HB3  PHE  43           HB3      PHE  43   9.572 -13.441 -10.077
  289    HD1  PHE  43           HD2      PHE  43  12.900 -14.878  -9.108
  290    HD2  PHE  43           HD1      PHE  43  10.392 -13.350 -12.249
  291    HE1  PHE  43           HE2      PHE  43  14.593 -15.549 -10.787
  292    HE2  PHE  43           HE1      PHE  43  12.091 -14.016 -13.931
  293    HZ   PHE  43           HZ       PHE  43  14.202 -15.089 -13.202
  294    H    LEU  44           H        LEU  44   9.567 -10.378  -9.771
  295    HA   LEU  44           HA       LEU  44  11.927  -9.118 -10.974
  296    HB2  LEU  44           HB2      LEU  44  10.872 -10.882 -12.547
  297    HB3  LEU  44           HB3      LEU  44   9.508  -9.771 -12.694
  298    HG   LEU  44           HG       LEU  44  11.089  -8.017 -13.576
  299   HD11  LEU  44          HD11      LEU  44  13.349  -8.775 -14.296
  300   HD12  LEU  44          HD12      LEU  44  13.188  -8.774 -12.529
  301   HD13  LEU  44          HD13      LEU  44  13.103 -10.310 -13.428
  302   HD21  LEU  44          HD21      LEU  44  11.446  -9.111 -15.750
  303   HD22  LEU  44          HD22      LEU  44  11.186 -10.701 -15.004
  304   HD23  LEU  44          HD23      LEU  44   9.849  -9.531 -15.090
  305    H    GLY  45           H        GLY  45   9.819  -8.569  -8.841
  306    HA2  GLY  45           HA2      GLY  45   8.932  -6.605  -8.015
  307    HA3  GLY  45           HA3      GLY  45   9.451  -5.760  -9.481
  308    H    THR  46           H        THR  46   7.503  -8.648  -9.879
  309    HA   THR  46           HA       THR  46   5.488  -7.056 -11.241
  310    HB   THR  46           HB       THR  46   4.576  -9.337 -11.829
  311    HG1  THR  46           HG1      THR  46   5.910 -11.077 -11.296
  312   HG21  THR  46          HG21      THR  46   7.536  -8.827 -12.361
  313   HG22  THR  46          HG22      THR  46   6.479  -9.898 -13.307
  314   HG23  THR  46          HG23      THR  46   6.185  -8.144 -13.285
  315    H    THR  47           H        THR  47   5.758  -7.508  -8.025
  316    HA   THR  47           HA       THR  47   2.801  -7.740  -7.708
  317    HB   THR  47           HB       THR  47   4.910  -8.918  -5.869
  318    HG1  THR  47           HG1      THR  47   4.084 -10.874  -6.644
  319   HG21  THR  47          HG21      THR  47   1.863  -9.024  -5.849
  320   HG22  THR  47          HG22      THR  47   2.921 -10.004  -4.802
  321   HG23  THR  47          HG23      THR  47   2.898  -8.238  -4.637
  322    H    CYS  48           H        CYS  48   1.866  -6.399  -6.174
  323    HA   CYS  48           HA       CYS  48   3.537  -4.139  -5.242
  324    HB2  CYS  48           HB2      CYS  48   1.545  -3.585  -6.492
  325    HB3  CYS  48           HB3      CYS  48   0.557  -4.624  -5.459
  326    H    THR  49           H        THR  49   3.815  -3.629  -3.104
  327    HA   THR  49           HA       THR  49   2.386  -5.188  -1.037
  328    HB   THR  49           HB       THR  49   5.422  -4.967  -1.235
  329    HG1  THR  49           HG1      THR  49   5.262  -7.203  -1.476
  330   HG21  THR  49          HG21      THR  49   5.391  -6.464   0.757
  331   HG22  THR  49          HG22      THR  49   4.688  -4.874   1.112
  332   HG23  THR  49          HG23      THR  49   3.623  -6.275   0.845
  333    H    CYS  50           H        CYS  50   2.177  -4.090   0.930
  334    HA   CYS  50           HA       CYS  50   2.750  -1.187   0.735
  335    HB2  CYS  50           HB2      CYS  50   0.885  -2.690   2.590
  336    HB3  CYS  50           HB3      CYS  50   1.026  -0.940   2.427
  337    H    ILE  51           H        ILE  51   3.221  -0.048   2.793
  338    HA   ILE  51           HA       ILE  51   5.242  -1.561   4.391
  339    HB   ILE  51           HB       ILE  51   5.142   1.366   3.590
  340   HG12  ILE  51          HG12      ILE  51   5.702  -0.063   1.666
  341   HG13  ILE  51          HG13      ILE  51   7.082   0.912   2.184
  342   HG21  ILE  51          HG21      ILE  51   7.220  -0.210   5.159
  343   HG22  ILE  51          HG22      ILE  51   7.460   1.433   4.523
  344   HG23  ILE  51          HG23      ILE  51   6.206   1.138   5.737
  345   HD11  ILE  51          HD11      ILE  51   7.747  -1.376   1.620
  346   HD12  ILE  51          HD12      ILE  51   8.049  -1.057   3.337
  347   HD13  ILE  51          HD13      ILE  51   6.640  -2.036   2.837
  348    H    ASN  52           H        ASN  52   5.119  -1.449   6.586
  349    HA   ASN  52           HA       ASN  52   2.656  -0.579   7.755
  350    HB2  ASN  52           HB2      ASN  52   3.684  -1.410   9.838
  351    HB3  ASN  52           HB3      ASN  52   3.918  -2.550   8.508
  352   HD21  ASN  52          HD21      ASN  52   5.481  -0.238  10.684
  353   HD22  ASN  52          HD22      ASN  52   7.124  -0.698  10.290
  354    HA   PRO  53           HA       PRO  53   2.284   0.014  10.344
  355    HB2  PRO  53           HB2      PRO  53   0.879   2.648  10.493
  356    HB3  PRO  53           HB3      PRO  53   1.245   1.489  11.811
  357    HG2  PRO  53           HG2      PRO  53   2.678   3.773  11.580
  358    HG3  PRO  53           HG3      PRO  53   3.515   2.218  11.917
  359    HD2  PRO  53           HD2      PRO  53   3.141   3.584   9.233
  360    HD3  PRO  53           HD3      PRO  53   4.650   2.950   9.957
  361    H    CYS  54           H        CYS  54   0.004  -0.521  10.082
  362    HA   CYS  54           HA       CYS  54  -1.315   0.480   7.628
  363    HB2  CYS  54           HB2      CYS  54  -0.706  -2.401   8.308
  364    HB3  CYS  54           HB3      CYS  54  -1.959  -1.937   7.160
  365    HA   PRO  55           HA       PRO  55  -4.090   0.149  11.388
  366    HB2  PRO  55           HB2      PRO  55  -5.229   2.629  11.154
  367    HB3  PRO  55           HB3      PRO  55  -3.657   2.351  11.979
  368    HG2  PRO  55           HG2      PRO  55  -4.105   3.194   9.096
  369    HG3  PRO  55           HG3      PRO  55  -3.061   3.986  10.329
  370    HD2  PRO  55           HD2      PRO  55  -1.998   2.242   8.574
  371    HD3  PRO  55           HD3      PRO  55  -1.520   2.165  10.301
  372    H    ARG  56           H        ARG  56  -6.508   0.291  11.403
  373    HA   ARG  56           HA       ARG  56  -7.527  -0.854   8.929
  374    HB2  ARG  56           HB2      ARG  56  -8.911  -0.229  11.558
  375    HB3  ARG  56           HB3      ARG  56  -9.587  -1.184  10.222
  376    HG2  ARG  56           HG2      ARG  56  -7.646  -2.775  10.429
  377    HG3  ARG  56           HG3      ARG  56  -7.115  -1.878  11.871
  378    HD2  ARG  56           HD2      ARG  56  -9.323  -2.326  12.924
  379    HD3  ARG  56           HD3      ARG  56  -9.789  -3.267  11.490
  380    HE   ARG  56           HE       ARG  56  -7.336  -4.294  12.485
  381   HH11  ARG  56          HH11      ARG  56 -10.745  -4.101  13.386
  382   HH12  ARG  56          HH12      ARG  56 -10.706  -5.575  14.326
  383   HH21  ARG  56          HH21      ARG  56  -7.316  -6.235  13.695
  384   HH22  ARG  56          HH22      ARG  56  -8.771  -6.778  14.501
  385    H    CYS  57           H        CYS  57  -9.661  -0.182   8.029
  386    HA   CYS  57           HA       CYS  57 -10.280   2.677   8.185
  387    HB2  CYS  57           HB2      CYS  57  -9.977   2.974   5.748
  388    HB3  CYS  57           HB3      CYS  57  -8.464   2.637   6.594
  Start of MODEL   10
    1    HA   PCA   1           HA       PCA   1 -17.571  -1.783  -0.591
    2    HB2  PCA   1           HB2      PCA   1 -15.298  -3.099   0.189
    3    HB3  PCA   1           HB3      PCA   1 -16.807  -3.976  -0.243
    4    HG2  PCA   1           HG2      PCA   1 -15.367  -4.986  -1.813
    5    HG3  PCA   1           HG3      PCA   1 -14.365  -3.503  -1.969
    6    H    ASN   2           H        ASN   2 -15.977  -0.674   0.923
    7    HA   ASN   2           HA       ASN   2 -14.652   1.489  -0.489
    8    HB2  ASN   2           HB2      ASN   2 -14.290   2.413   1.732
    9    HB3  ASN   2           HB3      ASN   2 -15.968   1.855   1.585
   10   HD21  ASN   2          HD21      ASN   2 -12.767   1.119   2.970
   11   HD22  ASN   2          HD22      ASN   2 -13.358   0.033   4.215
   12    H    CYS   3           H        CYS   3 -13.679  -1.561  -0.207
   13    HA   CYS   3           HA       CYS   3 -10.830  -0.863  -0.195
   14    HB2  CYS   3           HB2      CYS   3 -10.440  -2.799   1.436
   15    HB3  CYS   3           HB3      CYS   3 -10.932  -1.237   2.087
   16    HA   PRO   4           HA       PRO   4 -11.797  -4.190  -3.213
   17    HB2  PRO   4           HB2      PRO   4 -10.475  -3.126  -5.327
   18    HB3  PRO   4           HB3      PRO   4 -12.081  -2.510  -4.823
   19    HG2  PRO   4           HG2      PRO   4  -9.349  -1.392  -4.104
   20    HG3  PRO   4           HG3      PRO   4 -10.761  -0.502  -4.770
   21    HD2  PRO   4           HD2      PRO   4 -10.214  -0.592  -2.092
   22    HD3  PRO   4           HD3      PRO   4 -11.896  -0.581  -2.709
   23    H    THR   5           H        THR   5 -10.049  -5.363  -4.653
   24    HA   THR   5           HA       THR   5  -7.475  -5.488  -3.130
   25    HB   THR   5           HB       THR   5  -8.920  -7.807  -4.465
   26    HG1  THR   5           HG1      THR   5 -10.066  -7.067  -2.666
   27   HG21  THR   5          HG21      THR   5  -7.327  -9.157  -3.126
   28   HG22  THR   5          HG22      THR   5  -6.478  -8.080  -4.258
   29   HG23  THR   5          HG23      THR   5  -6.570  -7.661  -2.528
   30    H    ARG   6           H        ARG   6  -5.764  -4.966  -4.363
   31    HA   ARG   6           HA       ARG   6  -5.669  -5.847  -7.192
   32    HB2  ARG   6           HB2      ARG   6  -5.145  -3.020  -6.186
   33    HB3  ARG   6           HB3      ARG   6  -4.724  -3.594  -7.804
   34    HG2  ARG   6           HG2      ARG   6  -7.569  -3.483  -6.697
   35    HG3  ARG   6           HG3      ARG   6  -6.816  -2.268  -7.739
   36    HD2  ARG   6           HD2      ARG   6  -6.417  -4.040  -9.465
   37    HD3  ARG   6           HD3      ARG   6  -7.297  -5.194  -8.455
   38    HE   ARG   6           HE       ARG   6  -8.388  -2.915  -9.996
   39   HH11  ARG   6          HH11      ARG   6  -9.035  -5.474  -7.636
   40   HH12  ARG   6          HH12      ARG   6 -10.763  -5.439  -7.906
   41   HH21  ARG   6          HH21      ARG   6 -10.644  -2.893 -10.312
   42   HH22  ARG   6          HH22      ARG   6 -11.665  -3.972  -9.395
   43    H    ARG   7           H        ARG   7  -3.714  -6.731  -7.625
   44    HA   ARG   7           HA       ARG   7  -1.393  -6.040  -5.865
   45    HB2  ARG   7           HB2      ARG   7  -2.204  -8.746  -6.986
   46    HB3  ARG   7           HB3      ARG   7  -0.684  -8.422  -6.159
   47    HG2  ARG   7           HG2      ARG   7  -3.424  -8.114  -4.854
   48    HG3  ARG   7           HG3      ARG   7  -2.410  -9.555  -4.769
   49    HD2  ARG   7           HD2      ARG   7  -1.930  -8.475  -2.783
   50    HD3  ARG   7           HD3      ARG   7  -0.561  -8.019  -3.819
   51    HE   ARG   7           HE       ARG   7  -2.458  -6.004  -4.151
   52   HH11  ARG   7          HH11      ARG   7  -0.670  -7.378  -1.428
   53   HH12  ARG   7          HH12      ARG   7  -0.739  -5.899  -0.493
   54   HH21  ARG   7          HH21      ARG   7  -2.547  -4.116  -2.928
   55   HH22  ARG   7          HH22      ARG   7  -1.774  -4.035  -1.358
   56    H    GLY   8           H        GLY   8  -2.678  -6.300  -9.049
   57    HA2  GLY   8           HA2      GLY   8  -0.137  -6.835 -10.383
   58    HA3  GLY   8           HA3      GLY   8  -1.711  -6.527 -11.139
   59    H    LEU   9           H        LEU   9  -0.897  -4.180  -8.757
   60    HA   LEU   9           HA       LEU   9  -0.966  -2.074 -10.669
   61    HB2  LEU   9           HB2      LEU   9  -0.032  -2.132  -7.772
   62    HB3  LEU   9           HB3      LEU   9  -0.418  -0.668  -8.690
   63    HG   LEU   9           HG       LEU   9  -2.395  -2.930  -8.135
   64   HD11  LEU   9          HD11      LEU   9  -2.080  -0.204  -6.822
   65   HD12  LEU   9          HD12      LEU   9  -3.391  -1.369  -6.515
   66   HD13  LEU   9          HD13      LEU   9  -1.719  -1.776  -6.068
   67   HD21  LEU   9          HD21      LEU   9  -2.770  -0.105  -9.218
   68   HD22  LEU   9          HD22      LEU   9  -2.951  -1.609 -10.158
   69   HD23  LEU   9          HD23      LEU   9  -4.075  -1.252  -8.836
   70    H    CYS  10           H        CYS  10   1.687  -4.080  -9.636
   71    HA   CYS  10           HA       CYS  10   3.671  -2.048 -10.487
   72    HB2  CYS  10           HB2      CYS  10   3.910  -4.754  -9.151
   73    HB3  CYS  10           HB3      CYS  10   5.289  -3.779  -9.658
   74    H    VAL  11           H        VAL  11   1.745  -4.201 -12.103
   75    HA   VAL  11           HA       VAL  11   3.853  -5.431 -13.740
   76    HB   VAL  11           HB       VAL  11   0.817  -5.528 -13.937
   77   HG11  VAL  11          HG11      VAL  11   2.983  -7.194 -15.290
   78   HG12  VAL  11          HG12      VAL  11   1.245  -7.552 -15.324
   79   HG13  VAL  11          HG13      VAL  11   1.849  -6.078 -16.093
   80   HG21  VAL  11          HG21      VAL  11   1.694  -6.513 -11.843
   81   HG22  VAL  11          HG22      VAL  11   1.081  -7.766 -12.942
   82   HG23  VAL  11          HG23      VAL  11   2.831  -7.503 -12.794
   83    H    THR  12           H        THR  12   1.625  -2.678 -13.938
   84    HA   THR  12           HA       THR  12   3.029  -1.806 -16.369
   85    HB   THR  12           HB       THR  12   1.271  -3.312 -17.230
   86    HG1  THR  12           HG1      THR  12   0.371  -1.787 -18.637
   87   HG21  THR  12          HG21      THR  12  -0.409  -3.017 -15.407
   88   HG22  THR  12          HG22      THR  12  -0.704  -1.353 -15.975
   89   HG23  THR  12          HG23      THR  12  -1.097  -2.741 -17.013
   90    H    SER  13           H        SER  13   0.760  -1.186 -13.715
   91    HA   SER  13           HA       SER  13   0.330   1.591 -14.456
   92    HB2  SER  13           HB2      SER  13  -0.265  -0.015 -11.942
   93    HB3  SER  13           HB3      SER  13  -0.788   1.655 -12.245
   94    HG   SER  13           HG       SER  13  -2.388   0.126 -12.834
   95    H    GLY  14           H        GLY  14   2.668  -0.195 -12.629
   96    HA2  GLY  14           HA2      GLY  14   4.810   0.560 -12.077
   97    HA3  GLY  14           HA3      GLY  14   4.296   2.229 -12.314
   98    H    LEU  15           H        LEU  15   5.855   1.829 -10.202
   99    HA   LEU  15           HA       LEU  15   4.694   0.905  -7.794
  100    HB2  LEU  15           HB2      LEU  15   7.089   1.217  -8.105
  101    HB3  LEU  15           HB3      LEU  15   6.865   2.952  -8.395
  102    HG   LEU  15           HG       LEU  15   6.080   3.264  -6.086
  103   HD11  LEU  15          HD11      LEU  15   6.326   1.436  -4.440
  104   HD12  LEU  15          HD12      LEU  15   5.103   1.032  -5.658
  105   HD13  LEU  15          HD13      LEU  15   6.727   0.300  -5.749
  106   HD21  LEU  15          HD21      LEU  15   8.477   3.477  -6.606
  107   HD22  LEU  15          HD22      LEU  15   8.242   2.841  -4.965
  108   HD23  LEU  15          HD23      LEU  15   8.711   1.746  -6.286
  109    H    THR  16           H        THR  16   4.371   4.011  -9.491
  110    HA   THR  16           HA       THR  16   3.486   5.566  -7.293
  111    HB   THR  16           HB       THR  16   2.629   5.785 -10.210
  112    HG1  THR  16           HG1      THR  16   4.474   7.105 -10.369
  113   HG21  THR  16          HG21      THR  16   2.905   7.850  -7.986
  114   HG22  THR  16          HG22      THR  16   2.495   8.207  -9.679
  115   HG23  THR  16          HG23      THR  16   1.377   7.259  -8.681
  116    H    ALA  17           H        ALA  17   1.768   3.225  -9.381
  117    HA   ALA  17           HA       ALA  17  -0.839   4.000  -8.340
  118    HB1  ALA  17           HB1      ALA  17   0.077   1.600  -9.971
  119    HB2  ALA  17           HB2      ALA  17  -1.611   2.063  -9.656
  120    HB3  ALA  17           HB3      ALA  17  -0.559   3.128 -10.620
  121    H    CYS  18           H        CYS  18   1.670   1.584  -7.600
  122    HA   CYS  18           HA       CYS  18   0.044   0.032  -5.790
  123    HB2  CYS  18           HB2      CYS  18   2.028  -0.870  -6.880
  124    HB3  CYS  18           HB3      CYS  18   3.036   0.384  -6.153
  125    H    ARG  19           H        ARG  19   1.967   3.005  -5.549
  126    HA   ARG  19           HA       ARG  19   1.945   3.030  -2.636
  127    HB2  ARG  19           HB2      ARG  19   3.653   4.071  -4.275
  128    HB3  ARG  19           HB3      ARG  19   2.475   5.380  -4.488
  129    HG2  ARG  19           HG2      ARG  19   2.521   5.812  -2.044
  130    HG3  ARG  19           HG3      ARG  19   3.654   4.458  -1.826
  131    HD2  ARG  19           HD2      ARG  19   5.234   5.627  -3.410
  132    HD3  ARG  19           HD3      ARG  19   4.134   7.016  -3.391
  133    HE   ARG  19           HE       ARG  19   4.731   6.366  -0.699
  134   HH11  ARG  19          HH11      ARG  19   6.391   7.567  -3.577
  135   HH12  ARG  19          HH12      ARG  19   7.618   8.415  -2.665
  136   HH21  ARG  19          HH21      ARG  19   6.330   7.466   0.465
  137   HH22  ARG  19          HH22      ARG  19   7.584   8.359  -0.370
  138    H    ASN  20           H        ASN  20  -0.018   4.406  -5.263
  139    HA   ASN  20           HA       ASN  20  -1.612   6.077  -3.511
  140    HB2  ASN  20           HB2      ASN  20  -2.038   5.026  -6.333
  141    HB3  ASN  20           HB3      ASN  20  -3.112   6.177  -5.529
  142   HD21  ASN  20          HD21      ASN  20  -1.996   6.922  -7.903
  143   HD22  ASN  20          HD22      ASN  20  -0.765   8.138  -7.633
  144    H    HIS  21           H        HIS  21  -1.632   2.680  -4.399
  145    HA   HIS  21           HA       HIS  21  -4.378   2.225  -3.511
  146    HB2  HIS  21           HB2      HIS  21  -3.353   0.918  -5.300
  147    HB3  HIS  21           HB3      HIS  21  -2.059   0.386  -4.215
  148    HD1  HIS  21           HD1      HIS  21  -5.892  -0.074  -4.584
  149    HD2  HIS  21           HD2      HIS  21  -2.479  -1.768  -2.815
  150    HE1  HIS  21           HE1      HIS  21  -6.620  -2.318  -3.607
  151    H    CYS  22           H        CYS  22  -1.088   1.995  -2.189
  152    HA   CYS  22           HA       CYS  22  -1.979   0.701   0.276
  153    HB2  CYS  22           HB2      CYS  22   0.619   1.972  -0.603
  154    HB3  CYS  22           HB3      CYS  22   0.382   1.220   0.979
  155    H    ARG  23           H        ARG  23  -1.575   4.026  -0.872
  156    HA   ARG  23           HA       ARG  23  -1.897   5.105   1.843
  157    HB2  ARG  23           HB2      ARG  23  -1.566   6.371  -0.893
  158    HB3  ARG  23           HB3      ARG  23  -1.951   7.311   0.562
  159    HG2  ARG  23           HG2      ARG  23   0.035   6.423   1.710
  160    HG3  ARG  23           HG3      ARG  23   0.484   5.501   0.259
  161    HD2  ARG  23           HD2      ARG  23   0.761   7.546  -1.021
  162    HD3  ARG  23           HD3      ARG  23   0.101   8.517   0.314
  163    HE   ARG  23           HE       ARG  23   2.355   7.037   1.248
  164   HH11  ARG  23          HH11      ARG  23   1.555   9.778  -0.841
  165   HH12  ARG  23          HH12      ARG  23   3.084  10.580  -0.563
  166   HH21  ARG  23          HH21      ARG  23   4.322   8.111   1.592
  167   HH22  ARG  23          HH22      ARG  23   4.637   9.652   0.817
  168    H    SER  24           H        SER  24  -3.948   3.484   0.030
  169    HA   SER  24           HA       SER  24  -6.283   5.078   0.957
  170    HB2  SER  24           HB2      SER  24  -5.982   5.288  -1.518
  171    HB3  SER  24           HB3      SER  24  -6.091   3.521  -1.652
  172    HG   SER  24           HG       SER  24  -8.113   4.594  -1.959
  173    H    CYS  25           H        CYS  25  -8.270   3.504   1.015
  174    HA   CYS  25           HA       CYS  25  -7.370   1.314   2.704
  175    HB2  CYS  25           HB2      CYS  25 -10.186   2.071   1.885
  176    HB3  CYS  25           HB3      CYS  25  -9.709   0.996   3.208
  177    H    HIS  26           H        HIS  26  -7.259  -0.805   2.263
  178    HA   HIS  26           HA       HIS  26  -8.416  -1.878  -0.240
  179    HB2  HIS  26           HB2      HIS  26  -6.160  -2.891  -0.760
  180    HB3  HIS  26           HB3      HIS  26  -6.246  -1.134  -0.941
  181    HD1  HIS  26           HD1      HIS  26  -4.531   0.259   0.439
  182    HD2  HIS  26           HD2      HIS  26  -4.956  -3.748   1.670
  183    HE1  HIS  26           HE1      HIS  26  -2.750  -0.143   2.248
  184    HE2  HIS  26           HE2      HIS  26  -3.036  -2.582   2.997
  185    H    ARG  27           H        ARG  27  -7.947  -4.329  -0.297
  186    HA   ARG  27           HA       ARG  27  -8.965  -5.371   2.191
  187    HB2  ARG  27           HB2      ARG  27  -9.544  -6.085  -0.213
  188    HB3  ARG  27           HB3      ARG  27  -7.997  -6.941  -0.230
  189    HG2  ARG  27           HG2      ARG  27  -9.841  -8.460   0.344
  190    HG3  ARG  27           HG3      ARG  27  -8.728  -8.299   1.710
  191    HD2  ARG  27           HD2      ARG  27 -11.126  -8.222   2.384
  192    HD3  ARG  27           HD3      ARG  27 -10.256  -6.751   2.830
  193    HE   ARG  27           HE       ARG  27 -11.217  -5.835   0.589
  194   HH11  ARG  27          HH11      ARG  27 -12.922  -8.061   2.747
  195   HH12  ARG  27          HH12      ARG  27 -14.502  -7.476   2.265
  196   HH21  ARG  27          HH21      ARG  27 -13.251  -5.119  -0.009
  197   HH22  ARG  27          HH22      ARG  27 -14.691  -5.834   0.684
  198    H    GLY  28           H        GLY  28  -7.995  -6.641   3.711
  199    HA2  GLY  28           HA2      GLY  28  -5.048  -7.096   3.477
  200    HA3  GLY  28           HA3      GLY  28  -5.889  -6.720   4.984
  201    H    ASP  29           H        ASP  29  -4.675  -8.789   5.582
  202    HA   ASP  29           HA       ASP  29  -5.773 -11.273   4.476
  203    HB2  ASP  29           HB2      ASP  29  -3.709 -10.695   6.623
  204    HB3  ASP  29           HB3      ASP  29  -4.134 -12.309   6.034
  205    H    VAL  30           H        VAL  30  -6.619  -9.159   7.045
  206    HA   VAL  30           HA       VAL  30  -8.353 -11.282   8.198
  207    HB   VAL  30           HB       VAL  30  -6.299 -11.007   9.567
  208   HG11  VAL  30          HG11      VAL  30  -7.333  -8.177  10.030
  209   HG12  VAL  30          HG12      VAL  30  -5.961  -8.949  10.855
  210   HG13  VAL  30          HG13      VAL  30  -5.874  -8.612   9.114
  211   HG21  VAL  30          HG21      VAL  30  -8.451 -11.686  10.599
  212   HG22  VAL  30          HG22      VAL  30  -7.393 -10.788  11.715
  213   HG23  VAL  30          HG23      VAL  30  -8.792  -9.981  10.975
  214    H    GLY  31           H        GLY  31  -8.040  -8.156   6.891
  215    HA2  GLY  31           HA2      GLY  31 -10.760  -7.522   6.944
  216    HA3  GLY  31           HA3      GLY  31 -10.032  -6.722   8.355
  217    H    CYS  32           H        CYS  32 -10.978  -4.923   6.674
  218    HA   CYS  32           HA       CYS  32  -9.025  -4.300   4.588
  219    HB2  CYS  32           HB2      CYS  32 -11.500  -2.844   5.564
  220    HB3  CYS  32           HB3      CYS  32 -10.441  -2.285   4.262
  221    H    VAL  33           H        VAL  33  -7.552  -2.686   4.530
  222    HA   VAL  33           HA       VAL  33  -7.070  -1.079   6.966
  223    HB   VAL  33           HB       VAL  33  -4.712  -1.796   7.040
  224   HG11  VAL  33          HG11      VAL  33  -5.017  -4.012   8.030
  225   HG12  VAL  33          HG12      VAL  33  -6.340  -2.930   8.520
  226   HG13  VAL  33          HG13      VAL  33  -6.613  -4.163   7.264
  227   HG21  VAL  33          HG21      VAL  33  -5.547  -3.904   5.004
  228   HG22  VAL  33          HG22      VAL  33  -4.456  -2.526   4.705
  229   HG23  VAL  33          HG23      VAL  33  -3.980  -3.815   5.831
  230    H    ARG  34           H        ARG  34  -5.233   0.424   6.644
  231    HA   ARG  34           HA       ARG  34  -4.641   1.148   3.836
  232    HB2  ARG  34           HB2      ARG  34  -5.037   3.545   4.413
  233    HB3  ARG  34           HB3      ARG  34  -6.513   2.570   4.442
  234    HG2  ARG  34           HG2      ARG  34  -6.359   2.389   6.911
  235    HG3  ARG  34           HG3      ARG  34  -4.885   3.385   6.890
  236    HD2  ARG  34           HD2      ARG  34  -6.128   5.273   5.988
  237    HD3  ARG  34           HD3      ARG  34  -7.582   4.276   5.786
  238    HE   ARG  34           HE       ARG  34  -6.914   4.081   8.486
  239   HH11  ARG  34          HH11      ARG  34  -7.819   6.654   6.235
  240   HH12  ARG  34          HH12      ARG  34  -8.562   7.637   7.475
  241   HH21  ARG  34          HH21      ARG  34  -7.882   5.384  10.083
  242   HH22  ARG  34          HH22      ARG  34  -8.604   6.915   9.652
  243    H    CYS  35           H        CYS  35  -2.581   2.280   3.666
  244    HA   CYS  35           HA       CYS  35  -0.878   1.936   6.102
  245    HB2  CYS  35           HB2      CYS  35  -0.218   1.176   3.255
  246    HB3  CYS  35           HB3      CYS  35   0.845   0.992   4.643
  247    H    SER  36           H        SER  36   1.531   2.730   5.144
  248    HA   SER  36           HA       SER  36   1.038   5.631   4.732
  249    HB2  SER  36           HB2      SER  36   2.167   4.783   6.808
  250    HB3  SER  36           HB3      SER  36   3.494   4.192   5.796
  251    HG   SER  36           HG       SER  36   3.868   6.305   6.630
  252    H    ASN  37           H        ASN  37   3.022   2.905   3.497
  253    HA   ASN  37           HA       ASN  37   3.637   4.447   1.051
  254    HB2  ASN  37           HB2      ASN  37   5.646   3.512   3.127
  255    HB3  ASN  37           HB3      ASN  37   6.102   3.561   1.428
  256   HD21  ASN  37          HD21      ASN  37   7.119   5.139   3.704
  257   HD22  ASN  37          HD22      ASN  37   6.895   6.812   3.235
  258    H    ALA  38           H        ALA  38   5.304   2.789  -0.244
  259    HA   ALA  38           HA       ALA  38   4.318   0.040  -0.044
  260    HB1  ALA  38           HB1      ALA  38   3.708   1.749  -2.488
  261    HB2  ALA  38           HB2      ALA  38   3.255   0.047  -2.244
  262    HB3  ALA  38           HB3      ALA  38   2.511   1.315  -1.244
  263    H    GLN  39           H        GLN  39   5.187  -1.339  -1.779
  264    HA   GLN  39           HA       GLN  39   7.336  -0.313  -3.465
  265    HB2  GLN  39           HB2      GLN  39   9.008  -1.904  -2.664
  266    HB3  GLN  39           HB3      GLN  39   8.556  -0.769  -1.375
  267    HG2  GLN  39           HG2      GLN  39   7.132  -2.447  -0.337
  268    HG3  GLN  39           HG3      GLN  39   7.374  -3.564  -1.690
  269   HE21  GLN  39          HE21      GLN  39   9.366  -1.650   0.669
  270   HE22  GLN  39          HE22      GLN  39  10.522  -2.940   0.952
  271    H    CYS  40           H        CYS  40   8.127  -2.082  -4.947
  272    HA   CYS  40           HA       CYS  40   5.882  -3.936  -5.542
  273    HB2  CYS  40           HB2      CYS  40   8.207  -2.948  -7.219
  274    HB3  CYS  40           HB3      CYS  40   7.023  -4.153  -7.750
  275    H    THR  41           H        THR  41   6.193  -6.140  -5.749
  276    HA   THR  41           HA       THR  41   8.804  -7.267  -4.872
  277    HB   THR  41           HB       THR  41   7.613  -8.709  -3.266
  278    HG1  THR  41           HG1      THR  41   5.448  -8.175  -2.785
  279   HG21  THR  41          HG21      THR  41   7.003  -5.766  -2.755
  280   HG22  THR  41          HG22      THR  41   7.191  -7.051  -1.542
  281   HG23  THR  41          HG23      THR  41   8.588  -6.537  -2.507
  282    H    GLY  42           H        GLY  42   8.362  -9.841  -4.772
  283    HA2  GLY  42           HA2      GLY  42   7.337 -11.711  -5.870
  284    HA3  GLY  42           HA3      GLY  42   6.868 -10.662  -7.213
  285    H    PHE  43           H        PHE  43   7.978 -12.830  -8.080
  286    HA   PHE  43           HA       PHE  43  10.834 -13.004  -8.080
  287    HB2  PHE  43           HB2      PHE  43   9.505 -14.939  -8.565
  288    HB3  PHE  43           HB3      PHE  43   8.608 -14.090  -9.823
  289    HD1  PHE  43           HD2      PHE  43  12.061 -15.318  -8.990
  290    HD2  PHE  43           HD1      PHE  43   9.249 -14.239 -12.061
  291    HE1  PHE  43           HE2      PHE  43  13.639 -16.121 -10.729
  292    HE2  PHE  43           HE1      PHE  43  10.824 -15.034 -13.792
  293    HZ   PHE  43           HZ       PHE  43  13.030 -15.966 -13.132
  294    H    LEU  44           H        LEU  44   8.643 -10.933  -9.843
  295    HA   LEU  44           HA       LEU  44  10.926  -9.968 -11.435
  296    HB2  LEU  44           HB2      LEU  44   9.560 -11.750 -12.672
  297    HB3  LEU  44           HB3      LEU  44   8.241 -10.584 -12.716
  298    HG   LEU  44           HG       LEU  44   9.691  -9.026 -14.028
  299   HD11  LEU  44          HD11      LEU  44  11.699 -11.319 -13.870
  300   HD12  LEU  44          HD12      LEU  44  11.841  -9.910 -14.941
  301   HD13  LEU  44          HD13      LEU  44  11.912  -9.688 -13.183
  302   HD21  LEU  44          HD21      LEU  44   8.256 -10.698 -15.158
  303   HD22  LEU  44          HD22      LEU  44   9.745 -10.381 -16.077
  304   HD23  LEU  44          HD23      LEU  44   9.598 -11.866 -15.116
  305    H    GLY  45           H        GLY  45   9.114  -9.066  -9.110
  306    HA2  GLY  45           HA2      GLY  45   8.467  -6.985  -8.369
  307    HA3  GLY  45           HA3      GLY  45   8.962  -6.298  -9.927
  308    H    THR  46           H        THR  46   6.751  -8.962 -10.154
  309    HA   THR  46           HA       THR  46   4.755  -7.195 -11.321
  310    HB   THR  46           HB       THR  46   3.661  -9.418 -11.882
  311    HG1  THR  46           HG1      THR  46   4.960 -11.226 -11.547
  312   HG21  THR  46          HG21      THR  46   5.134  -8.230 -13.455
  313   HG22  THR  46          HG22      THR  46   6.565  -8.972 -12.707
  314   HG23  THR  46          HG23      THR  46   5.386  -9.987 -13.570
  315    H    THR  47           H        THR  47   5.244  -7.662  -8.178
  316    HA   THR  47           HA       THR  47   2.326  -7.873  -7.599
  317    HB   THR  47           HB       THR  47   4.620  -8.936  -5.908
  318    HG1  THR  47           HG1      THR  47   4.158 -10.179  -7.757
  319   HG21  THR  47          HG21      THR  47   2.777  -9.997  -4.604
  320   HG22  THR  47          HG22      THR  47   2.764  -8.225  -4.491
  321   HG23  THR  47          HG23      THR  47   1.598  -9.056  -5.548
  322    H    CYS  48           H        CYS  48   1.556  -6.569  -5.866
  323    HA   CYS  48           HA       CYS  48   3.323  -4.262  -5.199
  324    HB2  CYS  48           HB2      CYS  48   1.399  -3.599  -6.474
  325    HB3  CYS  48           HB3      CYS  48   0.323  -4.568  -5.460
  326    H    THR  49           H        THR  49   3.646  -3.696  -3.091
  327    HA   THR  49           HA       THR  49   2.194  -5.155  -0.956
  328    HB   THR  49           HB       THR  49   5.218  -5.012  -1.258
  329    HG1  THR  49           HG1      THR  49   4.203  -6.637  -2.461
  330   HG21  THR  49          HG21      THR  49   4.649  -4.759   1.098
  331   HG22  THR  49          HG22      THR  49   3.492  -6.119   0.995
  332   HG23  THR  49          HG23      THR  49   5.240  -6.404   0.815
  333    H    CYS  50           H        CYS  50   2.102  -4.022   1.026
  334    HA   CYS  50           HA       CYS  50   2.684  -1.126   0.721
  335    HB2  CYS  50           HB2      CYS  50   0.795  -2.548   2.614
  336    HB3  CYS  50           HB3      CYS  50   0.985  -0.800   2.413
  337    H    ILE  51           H        ILE  51   3.143   0.061   2.767
  338    HA   ILE  51           HA       ILE  51   5.189  -1.407   4.379
  339    HB   ILE  51           HB       ILE  51   5.083   1.473   3.434
  340   HG12  ILE  51          HG12      ILE  51   5.683  -0.097   1.630
  341   HG13  ILE  51          HG13      ILE  51   7.035   0.937   2.078
  342   HG21  ILE  51          HG21      ILE  51   7.122   0.039   5.164
  343   HG22  ILE  51          HG22      ILE  51   7.389   1.626   4.400
  344   HG23  ILE  51          HG23      ILE  51   6.103   1.436   5.599
  345   HD11  ILE  51          HD11      ILE  51   6.649  -1.956   2.962
  346   HD12  ILE  51          HD12      ILE  51   7.765  -1.376   1.711
  347   HD13  ILE  51          HD13      ILE  51   8.023  -0.912   3.407
  348    H    ASN  52           H        ASN  52   5.253  -1.078   6.577
  349    HA   ASN  52           HA       ASN  52   2.783  -0.391   7.847
  350    HB2  ASN  52           HB2      ASN  52   5.582  -0.889   8.938
  351    HB3  ASN  52           HB3      ASN  52   4.140  -0.755   9.939
  352   HD21  ASN  52          HD21      ASN  52   5.532  -3.024  10.210
  353   HD22  ASN  52          HD22      ASN  52   4.716  -4.367   9.437
  354    HA   PRO  53           HA       PRO  53   2.350   0.267  10.157
  355    HB2  PRO  53           HB2      PRO  53   0.551   2.078  11.080
  356    HB3  PRO  53           HB3      PRO  53   2.215   1.988  11.734
  357    HG2  PRO  53           HG2      PRO  53   1.170   3.849   9.573
  358    HG3  PRO  53           HG3      PRO  53   2.090   4.292  11.044
  359    HD2  PRO  53           HD2      PRO  53   3.340   3.930   8.649
  360    HD3  PRO  53           HD3      PRO  53   4.097   3.378  10.181
  361    H    CYS  54           H        CYS  54   0.088  -0.399   9.980
  362    HA   CYS  54           HA       CYS  54  -1.343   0.531   7.559
  363    HB2  CYS  54           HB2      CYS  54  -0.546  -2.297   8.244
  364    HB3  CYS  54           HB3      CYS  54  -1.862  -1.933   7.136
  365    HA   PRO  55           HA       PRO  55  -4.028   0.079  11.396
  366    HB2  PRO  55           HB2      PRO  55  -5.269   2.515  11.171
  367    HB3  PRO  55           HB3      PRO  55  -3.699   2.277  12.008
  368    HG2  PRO  55           HG2      PRO  55  -4.148   3.149   9.131
  369    HG3  PRO  55           HG3      PRO  55  -3.126   3.948  10.378
  370    HD2  PRO  55           HD2      PRO  55  -2.020   2.263   8.592
  371    HD3  PRO  55           HD3      PRO  55  -1.530   2.176  10.305
  372    H    ARG  56           H        ARG  56  -6.456   0.101  11.422
  373    HA   ARG  56           HA       ARG  56  -7.424  -1.101   8.967
  374    HB2  ARG  56           HB2      ARG  56  -8.712  -0.572  11.656
  375    HB3  ARG  56           HB3      ARG  56  -9.528  -1.368  10.293
  376    HG2  ARG  56           HG2      ARG  56  -7.662  -3.042  10.193
  377    HG3  ARG  56           HG3      ARG  56  -6.970  -2.305  11.659
  378    HD2  ARG  56           HD2      ARG  56  -8.288  -4.238  12.274
  379    HD3  ARG  56           HD3      ARG  56  -9.112  -2.764  12.841
  380    HE   ARG  56           HE       ARG  56 -10.085  -3.475  10.248
  381   HH11  ARG  56          HH11      ARG  56 -10.215  -4.540  13.613
  382   HH12  ARG  56          HH12      ARG  56 -11.783  -5.300  13.438
  383   HH21  ARG  56          HH21      ARG  56 -12.139  -4.464  10.050
  384   HH22  ARG  56          HH22      ARG  56 -12.864  -5.258  11.426
  385    H    CYS  57           H        CYS  57  -9.599  -0.599   8.145
  386    HA   CYS  57           HA       CYS  57 -10.434   2.217   8.203
  387    HB2  CYS  57           HB2      CYS  57  -8.687   2.202   6.498
  388    HB3  CYS  57           HB3      CYS  57  -9.430   0.809   5.706
  Start of MODEL   11
    1    HA   PCA   1           HA       PCA   1 -16.383   4.224   2.163
    2    HB2  PCA   1           HB2      PCA   1 -17.224   4.788  -0.697
    3    HB3  PCA   1           HB3      PCA   1 -18.194   4.991   0.808
    4    HG2  PCA   1           HG2      PCA   1 -16.985   6.949   1.415
    5    HG3  PCA   1           HG3      PCA   1 -16.884   7.097  -0.375
    6    H    ASN   2           H        ASN   2 -14.206   3.079  -0.130
    7    HA   ASN   2           HA       ASN   2 -15.387   0.378  -0.049
    8    HB2  ASN   2           HB2      ASN   2 -16.098   1.511  -2.174
    9    HB3  ASN   2           HB3      ASN   2 -14.391   1.781  -2.564
   10   HD21  ASN   2          HD21      ASN   2 -14.802   0.613  -4.518
   11   HD22  ASN   2          HD22      ASN   2 -14.835  -1.143  -4.525
   12    H    CYS   3           H        CYS   3 -13.782  -1.281  -0.493
   13    HA   CYS   3           HA       CYS   3 -10.957  -0.445  -0.489
   14    HB2  CYS   3           HB2      CYS   3 -10.504  -1.956   1.452
   15    HB3  CYS   3           HB3      CYS   3 -11.357  -0.462   1.835
   16    HA   PRO   4           HA       PRO   4 -11.862  -4.131  -3.102
   17    HB2  PRO   4           HB2      PRO   4 -10.629  -3.298  -5.373
   18    HB3  PRO   4           HB3      PRO   4 -12.230  -2.663  -4.890
   19    HG2  PRO   4           HG2      PRO   4  -9.508  -1.418  -4.365
   20    HG3  PRO   4           HG3      PRO   4 -10.939  -0.639  -5.119
   21    HD2  PRO   4           HD2      PRO   4 -10.383  -0.377  -2.461
   22    HD3  PRO   4           HD3      PRO   4 -12.072  -0.529  -3.035
   23    H    THR   5           H        THR   5 -10.182  -5.440  -4.468
   24    HA   THR   5           HA       THR   5  -7.594  -5.492  -2.970
   25    HB   THR   5           HB       THR   5  -8.995  -7.820  -4.317
   26    HG1  THR   5           HG1      THR   5 -10.203  -7.066  -2.564
   27   HG21  THR   5          HG21      THR   5  -6.696  -7.634  -2.318
   28   HG22  THR   5          HG22      THR   5  -7.439  -9.140  -2.906
   29   HG23  THR   5          HG23      THR   5  -6.563  -8.085  -4.035
   30    H    ARG   6           H        ARG   6  -5.768  -5.240  -4.168
   31    HA   ARG   6           HA       ARG   6  -5.776  -5.970  -7.043
   32    HB2  ARG   6           HB2      ARG   6  -4.901  -3.292  -5.886
   33    HB3  ARG   6           HB3      ARG   6  -4.559  -3.837  -7.539
   34    HG2  ARG   6           HG2      ARG   6  -7.360  -3.430  -6.409
   35    HG3  ARG   6           HG3      ARG   6  -6.465  -2.259  -7.388
   36    HD2  ARG   6           HD2      ARG   6  -6.277  -3.949  -9.208
   37    HD3  ARG   6           HD3      ARG   6  -7.293  -5.054  -8.270
   38    HE   ARG   6           HE       ARG   6  -8.118  -2.550  -9.626
   39   HH11  ARG   6          HH11      ARG   6  -9.055  -5.248  -7.534
   40   HH12  ARG   6          HH12      ARG   6 -10.763  -5.018  -7.818
   41   HH21  ARG   6          HH21      ARG   6 -10.340  -2.276  -9.964
   42   HH22  ARG   6          HH22      ARG   6 -11.487  -3.323  -9.168
   43    H    ARG   7           H        ARG   7  -3.763  -6.725  -7.737
   44    HA   ARG   7           HA       ARG   7  -1.579  -6.789  -5.683
   45    HB2  ARG   7           HB2      ARG   7  -2.456  -9.083  -7.470
   46    HB3  ARG   7           HB3      ARG   7  -1.184  -9.128  -6.248
   47    HG2  ARG   7           HG2      ARG   7  -4.166  -8.785  -5.731
   48    HG3  ARG   7           HG3      ARG   7  -3.230 -10.258  -5.479
   49    HD2  ARG   7           HD2      ARG   7  -2.927  -7.642  -3.965
   50    HD3  ARG   7           HD3      ARG   7  -3.591  -9.157  -3.352
   51    HE   ARG   7           HE       ARG   7  -1.322 -10.155  -3.664
   52   HH11  ARG   7          HH11      ARG   7  -1.655  -6.637  -3.354
   53   HH12  ARG   7          HH12      ARG   7   0.006  -6.425  -2.840
   54   HH21  ARG   7          HH21      ARG   7   0.822  -9.819  -2.939
   55   HH22  ARG   7          HH22      ARG   7   1.379  -8.197  -2.587
   56    H    GLY   8           H        GLY   8  -2.528  -6.473  -9.046
   57    HA2  GLY   8           HA2      GLY   8   0.249  -6.886  -9.991
   58    HA3  GLY   8           HA3      GLY   8  -1.212  -6.853 -10.977
   59    H    LEU   9           H        LEU   9  -0.905  -4.314  -8.597
   60    HA   LEU   9           HA       LEU   9  -1.248  -2.271 -10.507
   61    HB2  LEU   9           HB2      LEU   9  -0.131  -2.203  -7.681
   62    HB3  LEU   9           HB3      LEU   9  -0.639  -0.772  -8.592
   63    HG   LEU   9           HG       LEU   9  -2.465  -3.120  -7.931
   64   HD11  LEU   9          HD11      LEU   9  -2.192  -0.384  -6.644
   65   HD12  LEU   9          HD12      LEU   9  -3.447  -1.583  -6.262
   66   HD13  LEU   9          HD13      LEU   9  -1.746  -1.943  -5.895
   67   HD21  LEU   9          HD21      LEU   9  -3.182  -1.843  -9.921
   68   HD22  LEU   9          HD22      LEU   9  -4.253  -1.495  -8.544
   69   HD23  LEU   9          HD23      LEU   9  -3.006  -0.319  -9.010
   70    H    CYS  10           H        CYS  10   1.755  -3.820  -9.459
   71    HA   CYS  10           HA       CYS  10   3.331  -1.535 -10.355
   72    HB2  CYS  10           HB2      CYS  10   3.842  -3.070  -8.384
   73    HB3  CYS  10           HB3      CYS  10   4.439  -4.226  -9.576
   74    H    VAL  11           H        VAL  11   1.604  -3.621 -12.090
   75    HA   VAL  11           HA       VAL  11   3.589  -3.674 -14.315
   76    HB   VAL  11           HB       VAL  11   1.436  -5.743 -13.727
   77   HG11  VAL  11          HG11      VAL  11   1.933  -5.527 -16.130
   78   HG12  VAL  11          HG12      VAL  11   3.673  -5.646 -15.800
   79   HG13  VAL  11          HG13      VAL  11   2.614  -7.038 -15.497
   80   HG21  VAL  11          HG21      VAL  11   3.336  -7.258 -13.244
   81   HG22  VAL  11          HG22      VAL  11   4.461  -5.889 -13.395
   82   HG23  VAL  11          HG23      VAL  11   3.249  -5.922 -12.086
   83    H    THR  12           H        THR  12   0.309  -2.976 -13.172
   84    HA   THR  12           HA       THR  12  -0.648  -2.480 -15.909
   85    HB   THR  12           HB       THR  12  -2.760  -1.886 -14.757
   86    HG1  THR  12           HG1      THR  12  -2.841  -2.226 -12.514
   87   HG21  THR  12          HG21      THR  12  -1.531  -4.515 -13.812
   88   HG22  THR  12          HG22      THR  12  -3.270  -4.150 -13.923
   89   HG23  THR  12          HG23      THR  12  -2.289  -4.234 -15.398
   90    H    SER  13           H        SER  13   0.946  -0.735 -13.390
   91    HA   SER  13           HA       SER  13   0.762   1.724 -15.018
   92    HB2  SER  13           HB2      SER  13  -1.188   1.768 -13.406
   93    HB3  SER  13           HB3      SER  13  -0.022   1.677 -12.075
   94    HG   SER  13           HG       SER  13  -0.633   3.845 -12.620
   95    H    GLY  14           H        GLY  14   1.941   0.078 -12.083
   96    HA2  GLY  14           HA2      GLY  14   4.455  -0.119 -11.972
   97    HA3  GLY  14           HA3      GLY  14   4.507   1.618 -12.283
   98    H    LEU  15           H        LEU  15   5.782   1.516 -10.217
   99    HA   LEU  15           HA       LEU  15   4.648   0.771  -7.745
  100    HB2  LEU  15           HB2      LEU  15   7.032   1.120  -8.075
  101    HB3  LEU  15           HB3      LEU  15   6.760   2.820  -8.505
  102    HG   LEU  15           HG       LEU  15   5.971   3.307  -6.231
  103   HD11  LEU  15          HD11      LEU  15   5.036   1.097  -5.618
  104   HD12  LEU  15          HD12      LEU  15   6.671   0.395  -5.653
  105   HD13  LEU  15          HD13      LEU  15   6.241   1.622  -4.430
  106   HD21  LEU  15          HD21      LEU  15   8.364   3.524  -6.778
  107   HD22  LEU  15          HD22      LEU  15   8.145   3.027  -5.087
  108   HD23  LEU  15          HD23      LEU  15   8.629   1.826  -6.302
  109    H    THR  16           H        THR  16   4.187   3.693  -9.696
  110    HA   THR  16           HA       THR  16   3.340   5.445  -7.643
  111    HB   THR  16           HB       THR  16   2.346   5.345 -10.513
  112    HG1  THR  16           HG1      THR  16   4.137   6.668 -10.907
  113   HG21  THR  16          HG21      THR  16   2.165   7.801 -10.222
  114   HG22  THR  16          HG22      THR  16   1.120   6.935  -9.077
  115   HG23  THR  16          HG23      THR  16   2.656   7.628  -8.517
  116    H    ALA  17           H        ALA  17   1.452   3.019  -9.570
  117    HA   ALA  17           HA       ALA  17  -1.023   3.835  -8.275
  118    HB1  ALA  17           HB1      ALA  17  -0.331   1.399  -9.955
  119    HB2  ALA  17           HB2      ALA  17  -1.970   1.905  -9.488
  120    HB3  ALA  17           HB3      ALA  17  -1.004   2.937 -10.558
  121    H    CYS  18           H        CYS  18   1.527   1.443  -7.697
  122    HA   CYS  18           HA       CYS  18   0.046  -0.144  -5.796
  123    HB2  CYS  18           HB2      CYS  18   2.018  -0.985  -6.929
  124    HB3  CYS  18           HB3      CYS  18   3.003   0.324  -6.283
  125    H    ARG  19           H        ARG  19   1.934   2.870  -5.621
  126    HA   ARG  19           HA       ARG  19   1.933   2.922  -2.707
  127    HB2  ARG  19           HB2      ARG  19   3.675   3.943  -4.248
  128    HB3  ARG  19           HB3      ARG  19   2.476   5.179  -4.678
  129    HG2  ARG  19           HG2      ARG  19   2.295   5.842  -2.305
  130    HG3  ARG  19           HG3      ARG  19   3.442   4.561  -1.851
  131    HD2  ARG  19           HD2      ARG  19   5.175   5.614  -3.277
  132    HD3  ARG  19           HD3      ARG  19   4.049   6.914  -3.689
  133    HE   ARG  19           HE       ARG  19   5.346   6.407  -1.067
  134   HH11  ARG  19          HH11      ARG  19   3.207   8.433  -3.031
  135   HH12  ARG  19          HH12      ARG  19   3.260   9.774  -1.913
  136   HH21  ARG  19          HH21      ARG  19   5.404   8.183   0.366
  137   HH22  ARG  19          HH22      ARG  19   4.519   9.643  -0.006
  138    H    ASN  20           H        ASN  20   0.003   4.332  -5.339
  139    HA   ASN  20           HA       ASN  20  -1.570   6.021  -3.589
  140    HB2  ASN  20           HB2      ASN  20  -2.031   5.002  -6.422
  141    HB3  ASN  20           HB3      ASN  20  -3.047   6.196  -5.611
  142   HD21  ASN  20          HD21      ASN  20  -1.918   6.899  -7.976
  143   HD22  ASN  20          HD22      ASN  20  -0.619   8.049  -7.723
  144    H    HIS  21           H        HIS  21  -1.624   2.623  -4.341
  145    HA   HIS  21           HA       HIS  21  -4.416   2.297  -3.464
  146    HB2  HIS  21           HB2      HIS  21  -3.491   0.966  -5.302
  147    HB3  HIS  21           HB3      HIS  21  -2.230   0.332  -4.238
  148    HD1  HIS  21           HD1      HIS  21  -6.094   0.107  -4.596
  149    HD2  HIS  21           HD2      HIS  21  -2.785  -1.804  -2.846
  150    HE1  HIS  21           HE1      HIS  21  -6.947  -2.098  -3.645
  151    H    CYS  22           H        CYS  22  -1.107   1.900  -2.224
  152    HA   CYS  22           HA       CYS  22  -1.987   0.608   0.226
  153    HB2  CYS  22           HB2      CYS  22   0.607   1.911  -0.650
  154    HB3  CYS  22           HB3      CYS  22   0.391   1.171   0.937
  155    H    ARG  23           H        ARG  23  -1.642   3.942  -0.877
  156    HA   ARG  23           HA       ARG  23  -1.816   4.990   1.868
  157    HB2  ARG  23           HB2      ARG  23  -1.532   6.304  -0.851
  158    HB3  ARG  23           HB3      ARG  23  -1.761   7.217   0.659
  159    HG2  ARG  23           HG2      ARG  23   0.233   6.184   1.632
  160    HG3  ARG  23           HG3      ARG  23   0.486   5.216   0.169
  161    HD2  ARG  23           HD2      ARG  23   1.954   7.186   0.148
  162    HD3  ARG  23           HD3      ARG  23   0.777   7.258  -1.164
  163    HE   ARG  23           HE       ARG  23  -0.158   9.151  -0.227
  164   HH11  ARG  23          HH11      ARG  23   1.902   7.600   2.228
  165   HH12  ARG  23          HH12      ARG  23   1.783   8.955   3.318
  166   HH21  ARG  23          HH21      ARG  23  -0.310  10.862   1.253
  167   HH22  ARG  23          HH22      ARG  23   0.541  10.786   2.777
  168    H    SER  24           H        SER  24  -3.997   3.535   0.027
  169    HA   SER  24           HA       SER  24  -6.207   5.175   1.143
  170    HB2  SER  24           HB2      SER  24  -7.557   4.667  -0.822
  171    HB3  SER  24           HB3      SER  24  -6.080   5.526  -1.305
  172    HG   SER  24           HG       SER  24  -6.500   3.710  -2.624
  173    H    CYS  25           H        CYS  25  -8.266   3.706   1.268
  174    HA   CYS  25           HA       CYS  25  -7.407   1.409   2.799
  175    HB2  CYS  25           HB2      CYS  25 -10.220   2.264   2.049
  176    HB3  CYS  25           HB3      CYS  25  -9.751   1.119   3.309
  177    H    HIS  26           H        HIS  26  -7.315  -0.678   2.256
  178    HA   HIS  26           HA       HIS  26  -8.599  -1.670  -0.224
  179    HB2  HIS  26           HB2      HIS  26  -6.403  -2.718  -0.840
  180    HB3  HIS  26           HB3      HIS  26  -6.417  -0.949  -0.966
  181    HD1  HIS  26           HD1      HIS  26  -4.719   0.363   0.547
  182    HD2  HIS  26           HD2      HIS  26  -5.053  -3.758   1.363
  183    HE1  HIS  26           HE1      HIS  26  -2.883  -0.190   2.258
  184    HE2  HIS  26           HE2      HIS  26  -3.105  -2.700   2.752
  185    H    ARG  27           H        ARG  27  -8.341  -4.129  -0.306
  186    HA   ARG  27           HA       ARG  27  -9.135  -5.135   2.286
  187    HB2  ARG  27           HB2      ARG  27  -9.806  -5.746  -0.247
  188    HB3  ARG  27           HB3      ARG  27  -8.569  -6.984   0.007
  189    HG2  ARG  27           HG2      ARG  27 -11.045  -6.498   1.721
  190    HG3  ARG  27           HG3      ARG  27 -10.816  -7.813   0.556
  191    HD2  ARG  27           HD2      ARG  27  -8.888  -8.639   1.903
  192    HD3  ARG  27           HD3      ARG  27  -9.230  -7.373   3.112
  193    HE   ARG  27           HE       ARG  27 -11.630  -8.614   2.942
  194   HH11  ARG  27          HH11      ARG  27  -8.357  -9.896   3.340
  195   HH12  ARG  27          HH12      ARG  27  -8.890 -11.308   4.221
  196   HH21  ARG  27          HH21      ARG  27 -12.293 -10.458   4.105
  197   HH22  ARG  27          HH22      ARG  27 -11.116 -11.623   4.654
  198    H    GLY  28           H        GLY  28  -7.865  -5.950   3.826
  199    HA2  GLY  28           HA2      GLY  28  -5.029  -6.545   3.299
  200    HA3  GLY  28           HA3      GLY  28  -5.838  -6.420   4.864
  201    H    ASP  29           H        ASP  29  -4.743  -8.427   5.447
  202    HA   ASP  29           HA       ASP  29  -5.344 -10.848   3.943
  203    HB2  ASP  29           HB2      ASP  29  -3.167 -10.377   5.024
  204    HB3  ASP  29           HB3      ASP  29  -3.952 -10.411   6.610
  205    H    VAL  30           H        VAL  30  -6.780  -9.140   6.628
  206    HA   VAL  30           HA       VAL  30  -8.649 -11.413   7.028
  207    HB   VAL  30           HB       VAL  30  -6.853 -11.480   8.740
  208   HG11  VAL  30          HG11      VAL  30  -7.979  -8.785   9.616
  209   HG12  VAL  30          HG12      VAL  30  -6.751  -9.740  10.470
  210   HG13  VAL  30          HG13      VAL  30  -6.384  -9.052   8.880
  211   HG21  VAL  30          HG21      VAL  30  -8.290 -11.712  10.661
  212   HG22  VAL  30          HG22      VAL  30  -9.541 -10.692   9.930
  213   HG23  VAL  30          HG23      VAL  30  -9.170 -12.284   9.222
  214    H    GLY  31           H        GLY  31  -8.169  -8.089   6.451
  215    HA2  GLY  31           HA2      GLY  31 -10.934  -7.475   6.319
  216    HA3  GLY  31           HA3      GLY  31 -10.285  -6.850   7.849
  217    H    CYS  32           H        CYS  32 -11.161  -4.910   6.162
  218    HA   CYS  32           HA       CYS  32  -9.076  -4.143   4.295
  219    HB2  CYS  32           HB2      CYS  32 -11.561  -2.715   5.273
  220    HB3  CYS  32           HB3      CYS  32 -10.419  -2.037   4.110
  221    H    VAL  33           H        VAL  33  -7.568  -2.604   4.406
  222    HA   VAL  33           HA       VAL  33  -7.142  -1.105   6.920
  223    HB   VAL  33           HB       VAL  33  -4.796  -1.861   7.019
  224   HG11  VAL  33          HG11      VAL  33  -6.510  -3.058   8.387
  225   HG12  VAL  33          HG12      VAL  33  -6.701  -4.236   7.067
  226   HG13  VAL  33          HG13      VAL  33  -5.149  -4.094   7.916
  227   HG21  VAL  33          HG21      VAL  33  -5.594  -3.855   4.861
  228   HG22  VAL  33          HG22      VAL  33  -4.492  -2.479   4.650
  229   HG23  VAL  33          HG23      VAL  33  -4.042  -3.812   5.729
  230    H    ARG  34           H        ARG  34  -5.257   0.397   6.666
  231    HA   ARG  34           HA       ARG  34  -4.638   1.161   3.867
  232    HB2  ARG  34           HB2      ARG  34  -4.987   3.537   4.426
  233    HB3  ARG  34           HB3      ARG  34  -6.491   2.600   4.550
  234    HG2  ARG  34           HG2      ARG  34  -6.204   2.459   7.011
  235    HG3  ARG  34           HG3      ARG  34  -4.712   3.424   6.886
  236    HD2  ARG  34           HD2      ARG  34  -5.971   5.296   5.945
  237    HD3  ARG  34           HD3      ARG  34  -7.465   4.338   5.966
  238    HE   ARG  34           HE       ARG  34  -6.398   4.368   8.593
  239   HH11  ARG  34          HH11      ARG  34  -7.854   6.588   6.253
  240   HH12  ARG  34          HH12      ARG  34  -8.542   7.618   7.486
  241   HH21  ARG  34          HH21      ARG  34  -7.304   5.737  10.179
  242   HH22  ARG  34          HH22      ARG  34  -8.235   7.139   9.699
  243    H    CYS  35           H        CYS  35  -2.563   2.276   3.706
  244    HA   CYS  35           HA       CYS  35  -0.859   1.876   6.121
  245    HB2  CYS  35           HB2      CYS  35  -0.198   1.144   3.261
  246    HB3  CYS  35           HB3      CYS  35   0.852   0.936   4.659
  247    H    SER  36           H        SER  36   1.543   2.678   5.164
  248    HA   SER  36           HA       SER  36   1.037   5.585   4.786
  249    HB2  SER  36           HB2      SER  36   2.186   4.736   6.846
  250    HB3  SER  36           HB3      SER  36   3.501   4.139   5.818
  251    HG   SER  36           HG       SER  36   3.918   6.229   6.651
  252    H    ASN  37           H        ASN  37   2.992   2.882   3.459
  253    HA   ASN  37           HA       ASN  37   3.557   4.496   1.062
  254    HB2  ASN  37           HB2      ASN  37   5.326   4.971   2.850
  255    HB3  ASN  37           HB3      ASN  37   5.836   3.293   2.683
  256   HD21  ASN  37          HD21      ASN  37   7.908   4.504   2.143
  257   HD22  ASN  37          HD22      ASN  37   8.160   4.937   0.465
  258    H    ALA  38           H        ALA  38   5.260   2.875  -0.318
  259    HA   ALA  38           HA       ALA  38   4.388   0.085  -0.031
  260    HB1  ALA  38           HB1      ALA  38   2.548   1.268  -1.259
  261    HB2  ALA  38           HB2      ALA  38   3.728   1.721  -2.514
  262    HB3  ALA  38           HB3      ALA  38   3.344   0.010  -2.227
  263    H    GLN  39           H        GLN  39   5.301  -1.298  -1.729
  264    HA   GLN  39           HA       GLN  39   7.452  -0.282  -3.424
  265    HB2  GLN  39           HB2      GLN  39   9.127  -1.847  -2.552
  266    HB3  GLN  39           HB3      GLN  39   8.654  -0.688  -1.301
  267    HG2  GLN  39           HG2      GLN  39   7.224  -2.332  -0.229
  268    HG3  GLN  39           HG3      GLN  39   7.476  -3.493  -1.545
  269   HE21  GLN  39          HE21      GLN  39   9.433  -1.539   0.790
  270   HE22  GLN  39          HE22      GLN  39  10.605  -2.807   1.091
  271    H    CYS  40           H        CYS  40   8.282  -2.186  -4.823
  272    HA   CYS  40           HA       CYS  40   6.004  -4.042  -5.256
  273    HB2  CYS  40           HB2      CYS  40   8.223  -3.335  -7.191
  274    HB3  CYS  40           HB3      CYS  40   6.784  -4.322  -7.498
  275    H    THR  41           H        THR  41   6.345  -6.247  -5.605
  276    HA   THR  41           HA       THR  41   8.933  -7.337  -4.617
  277    HB   THR  41           HB       THR  41   7.647  -8.901  -3.184
  278    HG1  THR  41           HG1      THR  41   5.459  -8.358  -2.794
  279   HG21  THR  41          HG21      THR  41   7.045  -5.979  -2.576
  280   HG22  THR  41          HG22      THR  41   7.128  -7.317  -1.405
  281   HG23  THR  41          HG23      THR  41   8.592  -6.789  -2.258
  282    H    GLY  42           H        GLY  42   8.635  -9.908  -4.703
  283    HA2  GLY  42           HA2      GLY  42   7.912 -11.777  -6.003
  284    HA3  GLY  42           HA3      GLY  42   7.373 -10.681  -7.280
  285    H    PHE  43           H        PHE  43   8.787 -12.640  -8.260
  286    HA   PHE  43           HA       PHE  43  11.639 -12.413  -8.072
  287    HB2  PHE  43           HB2      PHE  43  10.480 -14.493  -8.614
  288    HB3  PHE  43           HB3      PHE  43   9.783 -13.766 -10.057
  289    HD1  PHE  43           HD2      PHE  43  13.238 -14.153  -8.565
  290    HD2  PHE  43           HD1      PHE  43  10.737 -14.423 -12.054
  291    HE1  PHE  43           HE2      PHE  43  15.184 -14.900  -9.909
  292    HE2  PHE  43           HE1      PHE  43  12.685 -15.160 -13.394
  293    HZ   PHE  43           HZ       PHE  43  14.905 -15.404 -12.325
  294    H    LEU  44           H        LEU  44   9.259 -10.651  -9.901
  295    HA   LEU  44           HA       LEU  44  11.436  -9.357 -11.454
  296    HB2  LEU  44           HB2      LEU  44   8.766 -10.362 -12.509
  297    HB3  LEU  44           HB3      LEU  44   9.844  -9.287 -13.409
  298    HG   LEU  44           HG       LEU  44  10.632 -12.059 -12.419
  299   HD11  LEU  44          HD11      LEU  44   9.851 -11.104 -15.203
  300   HD12  LEU  44          HD12      LEU  44  10.426 -12.729 -14.771
  301   HD13  LEU  44          HD13      LEU  44   8.863 -12.139 -14.146
  302   HD21  LEU  44          HD21      LEU  44  12.520 -11.771 -14.001
  303   HD22  LEU  44          HD22      LEU  44  11.978 -10.115 -14.351
  304   HD23  LEU  44          HD23      LEU  44  12.567 -10.538 -12.727
  305    H    GLY  45           H        GLY  45   9.504  -8.788  -9.017
  306    HA2  GLY  45           HA2      GLY  45   8.733  -6.815  -8.117
  307    HA3  GLY  45           HA3      GLY  45   9.293  -5.961  -9.565
  308    H    THR  46           H        THR  46   7.178  -8.661 -10.118
  309    HA   THR  46           HA       THR  46   5.234  -6.881 -11.326
  310    HB   THR  46           HB       THR  46   4.188  -9.073 -12.025
  311    HG1  THR  46           HG1      THR  46   5.402 -10.919 -11.575
  312   HG21  THR  46          HG21      THR  46   6.036  -9.693 -13.540
  313   HG22  THR  46          HG22      THR  46   5.841  -7.930 -13.447
  314   HG23  THR  46          HG23      THR  46   7.168  -8.720 -12.571
  315    H    THR  47           H        THR  47   5.557  -7.566  -8.164
  316    HA   THR  47           HA       THR  47   2.605  -7.748  -7.738
  317    HB   THR  47           HB       THR  47   4.824  -8.886  -5.991
  318    HG1  THR  47           HG1      THR  47   4.492 -10.056  -7.909
  319   HG21  THR  47          HG21      THR  47   2.911 -10.034  -4.865
  320   HG22  THR  47          HG22      THR  47   2.889  -8.277  -4.643
  321   HG23  THR  47          HG23      THR  47   1.788  -9.047  -5.824
  322    H    CYS  48           H        CYS  48   1.784  -6.574  -5.914
  323    HA   CYS  48           HA       CYS  48   3.462  -4.223  -5.183
  324    HB2  CYS  48           HB2      CYS  48   1.464  -3.675  -6.437
  325    HB3  CYS  48           HB3      CYS  48   0.471  -4.666  -5.367
  326    H    THR  49           H        THR  49   3.782  -3.676  -3.056
  327    HA   THR  49           HA       THR  49   2.343  -5.175  -0.949
  328    HB   THR  49           HB       THR  49   5.372  -4.988  -1.175
  329    HG1  THR  49           HG1      THR  49   4.403  -6.629  -2.411
  330   HG21  THR  49          HG21      THR  49   4.716  -4.747   1.163
  331   HG22  THR  49          HG22      THR  49   3.613  -6.138   1.031
  332   HG23  THR  49          HG23      THR  49   5.371  -6.370   0.889
  333    H    CYS  50           H        CYS  50   2.202  -4.036   1.039
  334    HA   CYS  50           HA       CYS  50   2.761  -1.137   0.730
  335    HB2  CYS  50           HB2      CYS  50   0.876  -2.565   2.618
  336    HB3  CYS  50           HB3      CYS  50   1.043  -0.820   2.410
  337    H    ILE  51           H        ILE  51   3.245   0.065   2.741
  338    HA   ILE  51           HA       ILE  51   5.283  -1.386   4.373
  339    HB   ILE  51           HB       ILE  51   5.084   1.524   3.541
  340   HG12  ILE  51          HG12      ILE  51   5.708   0.066   1.653
  341   HG13  ILE  51          HG13      ILE  51   7.054   1.095   2.147
  342   HG21  ILE  51          HG21      ILE  51   7.196   0.065   5.168
  343   HG22  ILE  51          HG22      ILE  51   7.409   1.682   4.453
  344   HG23  ILE  51          HG23      ILE  51   6.155   1.416   5.679
  345   HD11  ILE  51          HD11      ILE  51   7.802  -1.179   1.647
  346   HD12  ILE  51          HD12      ILE  51   8.080  -0.797   3.356
  347   HD13  ILE  51          HD13      ILE  51   6.709  -1.837   2.890
  348    H    ASN  52           H        ASN  52   5.331  -1.090   6.583
  349    HA   ASN  52           HA       ASN  52   2.828  -0.474   7.833
  350    HB2  ASN  52           HB2      ASN  52   5.609  -1.006   8.940
  351    HB3  ASN  52           HB3      ASN  52   4.167  -0.893   9.943
  352   HD21  ASN  52          HD21      ASN  52   5.515  -3.182  10.187
  353   HD22  ASN  52          HD22      ASN  52   4.695  -4.491   9.364
  354    HA   PRO  53           HA       PRO  53   2.378   0.117  10.161
  355    HB2  PRO  53           HB2      PRO  53   0.570   1.897  11.119
  356    HB3  PRO  53           HB3      PRO  53   2.235   1.791  11.782
  357    HG2  PRO  53           HG2      PRO  53   1.192   3.703   9.668
  358    HG3  PRO  53           HG3      PRO  53   2.106   4.114  11.161
  359    HD2  PRO  53           HD2      PRO  53   3.357   3.830   8.757
  360    HD3  PRO  53           HD3      PRO  53   4.119   3.249  10.267
  361    H    CYS  54           H        CYS  54   0.123  -0.544   9.962
  362    HA   CYS  54           HA       CYS  54  -1.307   0.467   7.575
  363    HB2  CYS  54           HB2      CYS  54  -0.553  -2.392   8.198
  364    HB3  CYS  54           HB3      CYS  54  -1.859  -1.985   7.095
  365    HA   PRO  55           HA       PRO  55  -3.962  -0.043  11.416
  366    HB2  PRO  55           HB2      PRO  55  -5.218   2.399  11.219
  367    HB3  PRO  55           HB3      PRO  55  -3.645   2.157  12.050
  368    HG2  PRO  55           HG2      PRO  55  -4.116   3.060   9.189
  369    HG3  PRO  55           HG3      PRO  55  -3.077   3.842  10.429
  370    HD2  PRO  55           HD2      PRO  55  -1.989   2.172   8.616
  371    HD3  PRO  55           HD3      PRO  55  -1.489   2.063  10.331
  372    H    ARG  56           H        ARG  56  -6.353  -0.065  11.504
  373    HA   ARG  56           HA       ARG  56  -7.379  -1.266   9.072
  374    HB2  ARG  56           HB2      ARG  56  -8.673  -0.715  11.773
  375    HB3  ARG  56           HB3      ARG  56  -9.389  -1.670  10.463
  376    HG2  ARG  56           HG2      ARG  56  -7.436  -3.216  10.531
  377    HG3  ARG  56           HG3      ARG  56  -6.769  -2.297  11.895
  378    HD2  ARG  56           HD2      ARG  56  -9.470  -3.698  11.862
  379    HD3  ARG  56           HD3      ARG  56  -8.001  -4.332  12.619
  380    HE   ARG  56           HE       ARG  56  -8.369  -1.793  13.729
  381   HH11  ARG  56          HH11      ARG  56 -10.200  -4.820  13.571
  382   HH12  ARG  56          HH12      ARG  56 -10.996  -4.542  15.105
  383   HH21  ARG  56          HH21      ARG  56  -9.431  -1.468  15.717
  384   HH22  ARG  56          HH22      ARG  56 -10.570  -2.652  16.305
  385    H    CYS  57           H        CYS  57  -9.435  -0.743   8.111
  386    HA   CYS  57           HA       CYS  57 -10.388   2.035   8.392
  387    HB2  CYS  57           HB2      CYS  57  -8.629   2.167   6.703
  388    HB3  CYS  57           HB3      CYS  57  -9.340   0.815   5.816
  Start of MODEL   12
    1    HA   PCA   1           HA       PCA   1 -16.211  -2.426  -2.013
    2    HB2  PCA   1           HB2      PCA   1 -18.228  -0.174  -2.308
    3    HB3  PCA   1           HB3      PCA   1 -17.812  -1.457  -3.492
    4    HG2  PCA   1           HG2      PCA   1 -19.029  -3.095  -2.268
    5    HG3  PCA   1           HG3      PCA   1 -20.006  -1.639  -1.837
    6    H    ASN   2           H        ASN   2 -16.026  -0.148   0.445
    7    HA   ASN   2           HA       ASN   2 -14.676   1.961  -1.032
    8    HB2  ASN   2           HB2      ASN   2 -16.125   2.256   1.036
    9    HB3  ASN   2           HB3      ASN   2 -14.823   1.499   1.966
   10   HD21  ASN   2          HD21      ASN   2 -14.839   3.563   3.169
   11   HD22  ASN   2          HD22      ASN   2 -13.964   4.934   2.516
   12    H    CYS   3           H        CYS   3 -13.717  -1.085  -0.488
   13    HA   CYS   3           HA       CYS   3 -10.864  -0.362  -0.463
   14    HB2  CYS   3           HB2      CYS   3 -10.427  -2.098   1.294
   15    HB3  CYS   3           HB3      CYS   3 -11.165  -0.602   1.862
   16    HA   PRO   4           HA       PRO   4 -11.900  -3.762  -3.379
   17    HB2  PRO   4           HB2      PRO   4 -10.474  -2.828  -5.504
   18    HB3  PRO   4           HB3      PRO   4 -12.077  -2.148  -5.072
   19    HG2  PRO   4           HG2      PRO   4  -9.341  -1.077  -4.335
   20    HG3  PRO   4           HG3      PRO   4 -10.722  -0.182  -5.050
   21    HD2  PRO   4           HD2      PRO   4 -10.222  -0.178  -2.369
   22    HD3  PRO   4           HD3      PRO   4 -11.896  -0.172  -3.006
   23    H    THR   5           H        THR   5 -10.267  -5.146  -4.688
   24    HA   THR   5           HA       THR   5  -7.742  -5.390  -3.106
   25    HB   THR   5           HB       THR   5  -9.225  -7.617  -4.540
   26    HG1  THR   5           HG1      THR   5 -10.454  -6.835  -2.814
   27   HG21  THR   5          HG21      THR   5  -7.787  -9.039  -3.094
   28   HG22  THR   5          HG22      THR   5  -6.827  -8.024  -4.187
   29   HG23  THR   5          HG23      THR   5  -6.983  -7.580  -2.474
   30    H    ARG   6           H        ARG   6  -5.955  -4.912  -4.243
   31    HA   ARG   6           HA       ARG   6  -5.730  -5.792  -7.063
   32    HB2  ARG   6           HB2      ARG   6  -5.127  -2.993  -6.013
   33    HB3  ARG   6           HB3      ARG   6  -4.656  -3.595  -7.605
   34    HG2  ARG   6           HG2      ARG   6  -7.537  -3.324  -6.644
   35    HG3  ARG   6           HG3      ARG   6  -6.668  -2.155  -7.641
   36    HD2  ARG   6           HD2      ARG   6  -6.267  -3.931  -9.349
   37    HD3  ARG   6           HD3      ARG   6  -7.274  -5.039  -8.409
   38    HE   ARG   6           HE       ARG   6  -8.147  -2.726 -10.013
   39   HH11  ARG   6          HH11      ARG   6  -9.078  -5.155  -7.613
   40   HH12  ARG   6          HH12      ARG   6 -10.787  -4.955  -7.919
   41   HH21  ARG   6          HH21      ARG   6 -10.361  -2.513 -10.397
   42   HH22  ARG   6          HH22      ARG   6 -11.513  -3.467  -9.489
   43    H    ARG   7           H        ARG   7  -3.701  -6.546  -7.532
   44    HA   ARG   7           HA       ARG   7  -1.497  -6.032  -5.581
   45    HB2  ARG   7           HB2      ARG   7  -2.457  -8.743  -6.556
   46    HB3  ARG   7           HB3      ARG   7  -0.932  -8.471  -5.703
   47    HG2  ARG   7           HG2      ARG   7  -3.704  -7.857  -4.581
   48    HG3  ARG   7           HG3      ARG   7  -2.711  -9.270  -4.202
   49    HD2  ARG   7           HD2      ARG   7  -0.907  -7.744  -3.371
   50    HD3  ARG   7           HD3      ARG   7  -1.985  -6.362  -3.624
   51    HE   ARG   7           HE       ARG   7  -2.254  -8.519  -1.606
   52   HH11  ARG   7          HH11      ARG   7  -3.534  -5.498  -2.967
   53   HH12  ARG   7          HH12      ARG   7  -4.545  -5.177  -1.579
   54   HH21  ARG   7          HH21      ARG   7  -3.595  -8.060   0.177
   55   HH22  ARG   7          HH22      ARG   7  -4.593  -6.631   0.185
   56    H    GLY   8           H        GLY   8  -2.611  -6.468  -8.842
   57    HA2  GLY   8           HA2      GLY   8   0.061  -7.033  -9.933
   58    HA3  GLY   8           HA3      GLY   8  -1.469  -6.928 -10.824
   59    H    LEU   9           H        LEU   9  -0.986  -4.301  -8.635
   60    HA   LEU   9           HA       LEU   9  -1.221  -2.360 -10.659
   61    HB2  LEU   9           HB2      LEU   9  -0.124  -2.181  -7.828
   62    HB3  LEU   9           HB3      LEU   9  -0.583  -0.785  -8.815
   63    HG   LEU   9           HG       LEU   9  -2.500  -3.040  -8.086
   64   HD11  LEU   9          HD11      LEU   9  -2.115  -0.298  -6.830
   65   HD12  LEU   9          HD12      LEU   9  -3.428  -1.436  -6.443
   66   HD13  LEU   9          HD13      LEU   9  -1.739  -1.862  -6.069
   67   HD21  LEU   9          HD21      LEU   9  -3.143  -1.735 -10.097
   68   HD22  LEU   9          HD22      LEU   9  -4.215  -1.371  -8.732
   69   HD23  LEU   9          HD23      LEU   9  -2.936  -0.222  -9.177
   70    H    CYS  10           H        CYS  10   1.683  -3.932  -9.405
   71    HA   CYS  10           HA       CYS  10   3.488  -1.862 -10.297
   72    HB2  CYS  10           HB2      CYS  10   3.977  -3.338  -8.419
   73    HB3  CYS  10           HB3      CYS  10   3.921  -4.751  -9.477
   74    H    VAL  11           H        VAL  11   1.631  -4.076 -12.041
   75    HA   VAL  11           HA       VAL  11   3.638  -4.129 -14.259
   76    HB   VAL  11           HB       VAL  11   1.477  -6.178 -13.609
   77   HG11  VAL  11          HG11      VAL  11   1.949  -6.085 -16.011
   78   HG12  VAL  11          HG12      VAL  11   3.701  -6.143 -15.689
   79   HG13  VAL  11          HG13      VAL  11   2.674  -7.545 -15.314
   80   HG21  VAL  11          HG21      VAL  11   3.304  -6.260 -11.967
   81   HG22  VAL  11          HG22      VAL  11   3.392  -7.657 -13.061
   82   HG23  VAL  11          HG23      VAL  11   4.504  -6.286 -13.281
   83    H    THR  12           H        THR  12   0.374  -3.270 -13.238
   84    HA   THR  12           HA       THR  12  -0.463  -2.943 -16.063
   85    HB   THR  12           HB       THR  12  -2.699  -2.550 -15.075
   86    HG1  THR  12           HG1      THR  12  -2.927  -2.901 -12.859
   87   HG21  THR  12          HG21      THR  12  -1.975  -4.842 -15.681
   88   HG22  THR  12          HG22      THR  12  -1.329  -5.072 -14.039
   89   HG23  THR  12          HG23      THR  12  -3.077  -4.846 -14.288
   90    H    SER  13           H        SER  13   0.647  -1.026 -13.337
   91    HA   SER  13           HA       SER  13   0.189   1.422 -14.948
   92    HB2  SER  13           HB2      SER  13  -0.781   0.843 -12.127
   93    HB3  SER  13           HB3      SER  13  -0.525   2.487 -12.734
   94    HG   SER  13           HG       SER  13  -2.685   1.745 -13.034
   95    H    GLY  14           H        GLY  14   1.975  -0.360 -12.494
   96    HA2  GLY  14           HA2      GLY  14   4.354   0.001 -12.299
   97    HA3  GLY  14           HA3      GLY  14   4.094   1.729 -12.594
   98    H    LEU  15           H        LEU  15   5.589   1.433 -10.529
   99    HA   LEU  15           HA       LEU  15   4.498   0.609  -8.054
  100    HB2  LEU  15           HB2      LEU  15   6.889   0.851  -8.462
  101    HB3  LEU  15           HB3      LEU  15   6.686   2.577  -8.792
  102    HG   LEU  15           HG       LEU  15   6.018   2.982  -6.466
  103   HD11  LEU  15          HD11      LEU  15   6.267   1.200  -4.768
  104   HD12  LEU  15          HD12      LEU  15   4.986   0.791  -5.922
  105   HD13  LEU  15          HD13      LEU  15   6.581   0.007  -6.056
  106   HD21  LEU  15          HD21      LEU  15   8.580   1.365  -6.719
  107   HD22  LEU  15          HD22      LEU  15   8.391   3.096  -7.095
  108   HD23  LEU  15          HD23      LEU  15   8.200   2.531  -5.423
  109    H    THR  16           H        THR  16   4.143   3.663  -9.821
  110    HA   THR  16           HA       THR  16   3.413   5.306  -7.611
  111    HB   THR  16           HB       THR  16   2.430   5.496 -10.487
  112    HG1  THR  16           HG1      THR  16   4.300   6.744 -10.774
  113   HG21  THR  16          HG21      THR  16   2.873   7.581  -8.301
  114   HG22  THR  16          HG22      THR  16   2.428   7.936  -9.989
  115   HG23  THR  16          HG23      THR  16   1.301   7.055  -8.944
  116    H    ALA  17           H        ALA  17   1.509   2.991  -9.569
  117    HA   ALA  17           HA       ALA  17  -1.000   3.884  -8.380
  118    HB1  ALA  17           HB1      ALA  17  -0.282   1.413 -10.000
  119    HB2  ALA  17           HB2      ALA  17  -1.931   1.942  -9.579
  120    HB3  ALA  17           HB3      ALA  17  -0.926   2.952 -10.639
  121    H    CYS  18           H        CYS  18   1.475   1.436  -7.717
  122    HA   CYS  18           HA       CYS  18  -0.078  -0.039  -5.775
  123    HB2  CYS  18           HB2      CYS  18   1.834  -1.020  -6.898
  124    HB3  CYS  18           HB3      CYS  18   2.892   0.272  -6.325
  125    H    ARG  19           H        ARG  19   1.940   2.880  -5.729
  126    HA   ARG  19           HA       ARG  19   2.027   3.033  -2.830
  127    HB2  ARG  19           HB2      ARG  19   3.681   3.958  -4.588
  128    HB3  ARG  19           HB3      ARG  19   2.531   5.288  -4.802
  129    HG2  ARG  19           HG2      ARG  19   2.675   5.760  -2.340
  130    HG3  ARG  19           HG3      ARG  19   3.859   4.443  -2.185
  131    HD2  ARG  19           HD2      ARG  19   5.331   5.633  -3.820
  132    HD3  ARG  19           HD3      ARG  19   4.148   6.961  -3.863
  133    HE   ARG  19           HE       ARG  19   5.280   6.156  -1.238
  134   HH11  ARG  19          HH11      ARG  19   5.218   8.508  -3.880
  135   HH12  ARG  19          HH12      ARG  19   5.991   9.761  -2.934
  136   HH21  ARG  19          HH21      ARG  19   6.277   7.800  -0.034
  137   HH22  ARG  19          HH22      ARG  19   6.593   9.358  -0.764
  138    H    ASN  20           H        ASN  20  -0.075   4.215  -5.404
  139    HA   ASN  20           HA       ASN  20  -1.560   5.986  -3.605
  140    HB2  ASN  20           HB2      ASN  20  -2.074   5.011  -6.444
  141    HB3  ASN  20           HB3      ASN  20  -3.075   6.197  -5.599
  142   HD21  ASN  20          HD21      ASN  20  -1.927   6.900  -7.989
  143   HD22  ASN  20          HD22      ASN  20  -0.643   8.065  -7.711
  144    H    HIS  21           H        HIS  21  -1.583   2.587  -4.354
  145    HA   HIS  21           HA       HIS  21  -4.371   2.219  -3.506
  146    HB2  HIS  21           HB2      HIS  21  -3.354   0.868  -5.287
  147    HB3  HIS  21           HB3      HIS  21  -2.122   0.285  -4.158
  148    HD1  HIS  21           HD1      HIS  21  -5.981   0.061  -4.570
  149    HD2  HIS  21           HD2      HIS  21  -2.689  -1.872  -2.814
  150    HE1  HIS  21           HE1      HIS  21  -6.852  -2.144  -3.634
  151    H    CYS  22           H        CYS  22  -1.076   1.890  -2.183
  152    HA   CYS  22           HA       CYS  22  -1.991   0.629   0.277
  153    HB2  CYS  22           HB2      CYS  22   0.609   1.909  -0.591
  154    HB3  CYS  22           HB3      CYS  22   0.386   1.159   0.986
  155    H    ARG  23           H        ARG  23  -1.544   3.963  -0.840
  156    HA   ARG  23           HA       ARG  23  -1.742   5.007   1.903
  157    HB2  ARG  23           HB2      ARG  23  -1.488   6.370  -0.799
  158    HB3  ARG  23           HB3      ARG  23  -1.624   7.227   0.752
  159    HG2  ARG  23           HG2      ARG  23   0.372   6.015   1.596
  160    HG3  ARG  23           HG3      ARG  23   0.578   5.248   0.017
  161    HD2  ARG  23           HD2      ARG  23   0.611   8.249   0.555
  162    HD3  ARG  23           HD3      ARG  23   2.037   7.227   0.303
  163    HE   ARG  23           HE       ARG  23   0.374   6.837  -1.930
  164   HH11  ARG  23          HH11      ARG  23   2.185   9.460  -0.410
  165   HH12  ARG  23          HH12      ARG  23   2.423  10.330  -1.909
  166   HH21  ARG  23          HH21      ARG  23   0.684   8.018  -3.893
  167   HH22  ARG  23          HH22      ARG  23   1.601   9.503  -3.865
  168    H    SER  24           H        SER  24  -3.906   3.549   0.119
  169    HA   SER  24           HA       SER  24  -6.145   5.205   1.169
  170    HB2  SER  24           HB2      SER  24  -5.988   3.844  -1.552
  171    HB3  SER  24           HB3      SER  24  -7.450   4.570  -0.856
  172    HG   SER  24           HG       SER  24  -6.280   5.997  -2.269
  173    H    CYS  25           H        CYS  25  -8.190   3.751   1.331
  174    HA   CYS  25           HA       CYS  25  -7.338   1.430   2.814
  175    HB2  CYS  25           HB2      CYS  25 -10.151   2.267   2.046
  176    HB3  CYS  25           HB3      CYS  25  -9.677   1.115   3.299
  177    H    HIS  26           H        HIS  26  -7.272  -0.668   2.270
  178    HA   HIS  26           HA       HIS  26  -8.489  -1.619  -0.263
  179    HB2  HIS  26           HB2      HIS  26  -6.260  -2.660  -0.829
  180    HB3  HIS  26           HB3      HIS  26  -6.291  -0.896  -0.946
  181    HD1  HIS  26           HD1      HIS  26  -4.627   0.416   0.584
  182    HD2  HIS  26           HD2      HIS  26  -4.994  -3.686   1.460
  183    HE1  HIS  26           HE1      HIS  26  -2.811  -0.126   2.325
  184    HE2  HIS  26           HE2      HIS  26  -3.061  -2.621   2.860
  185    H    ARG  27           H        ARG  27  -8.142  -4.067  -0.414
  186    HA   ARG  27           HA       ARG  27  -9.059  -5.198   2.079
  187    HB2  ARG  27           HB2      ARG  27  -9.887  -5.857  -0.186
  188    HB3  ARG  27           HB3      ARG  27  -8.297  -6.542  -0.541
  189    HG2  ARG  27           HG2      ARG  27  -9.843  -8.314   0.137
  190    HG3  ARG  27           HG3      ARG  27  -8.551  -8.143   1.331
  191    HD2  ARG  27           HD2      ARG  27 -10.083  -6.786   2.764
  192    HD3  ARG  27           HD3      ARG  27 -11.362  -6.978   1.541
  193    HE   ARG  27           HE       ARG  27 -10.355  -9.542   2.341
  194   HH11  ARG  27          HH11      ARG  27 -12.394  -6.885   3.479
  195   HH12  ARG  27          HH12      ARG  27 -13.350  -7.915   4.517
  196   HH21  ARG  27          HH21      ARG  27 -11.616 -10.855   3.717
  197   HH22  ARG  27          HH22      ARG  27 -12.923 -10.155   4.641
  198    H    GLY  28           H        GLY  28  -8.019  -6.429   3.551
  199    HA2  GLY  28           HA2      GLY  28  -5.097  -6.911   3.197
  200    HA3  GLY  28           HA3      GLY  28  -5.937  -6.698   4.732
  201    H    ASP  29           H        ASP  29  -4.926  -8.737   5.377
  202    HA   ASP  29           HA       ASP  29  -5.729 -11.168   3.959
  203    HB2  ASP  29           HB2      ASP  29  -3.450 -10.771   4.905
  204    HB3  ASP  29           HB3      ASP  29  -4.145 -10.767   6.528
  205    H    VAL  30           H        VAL  30  -6.939  -9.275   6.614
  206    HA   VAL  30           HA       VAL  30  -8.870 -11.453   7.238
  207    HB   VAL  30           HB       VAL  30  -7.011 -11.470   8.877
  208   HG11  VAL  30          HG11      VAL  30  -8.004  -8.678   9.586
  209   HG12  VAL  30          HG12      VAL  30  -6.794  -9.614  10.490
  210   HG13  VAL  30          HG13      VAL  30  -6.432  -9.066   8.842
  211   HG21  VAL  30          HG21      VAL  30  -9.313 -12.159   9.509
  212   HG22  VAL  30          HG22      VAL  30  -8.378 -11.500  10.873
  213   HG23  VAL  30          HG23      VAL  30  -9.630 -10.512  10.096
  214    H    GLY  31           H        GLY  31  -8.287  -8.180   6.462
  215    HA2  GLY  31           HA2      GLY  31 -11.027  -7.483   6.299
  216    HA3  GLY  31           HA3      GLY  31 -10.373  -6.825   7.808
  217    H    CYS  32           H        CYS  32 -11.141  -4.873   6.188
  218    HA   CYS  32           HA       CYS  32  -9.050  -4.185   4.271
  219    HB2  CYS  32           HB2      CYS  32 -11.553  -2.742   5.184
  220    HB3  CYS  32           HB3      CYS  32 -10.390  -2.084   4.027
  221    H    VAL  33           H        VAL  33  -7.580  -2.562   4.373
  222    HA   VAL  33           HA       VAL  33  -7.172  -1.101   6.912
  223    HB   VAL  33           HB       VAL  33  -4.844  -1.877   7.077
  224   HG11  VAL  33          HG11      VAL  33  -6.602  -3.108   8.344
  225   HG12  VAL  33          HG12      VAL  33  -6.744  -4.252   6.989
  226   HG13  VAL  33          HG13      VAL  33  -5.223  -4.136   7.895
  227   HG21  VAL  33          HG21      VAL  33  -4.450  -2.436   4.707
  228   HG22  VAL  33          HG22      VAL  33  -4.049  -3.802   5.772
  229   HG23  VAL  33          HG23      VAL  33  -5.565  -3.814   4.842
  230    H    ARG  34           H        ARG  34  -5.254   0.396   6.689
  231    HA   ARG  34           HA       ARG  34  -4.637   1.188   3.900
  232    HB2  ARG  34           HB2      ARG  34  -4.995   3.560   4.494
  233    HB3  ARG  34           HB3      ARG  34  -6.494   2.620   4.583
  234    HG2  ARG  34           HG2      ARG  34  -6.242   2.439   7.039
  235    HG3  ARG  34           HG3      ARG  34  -4.746   3.397   6.954
  236    HD2  ARG  34           HD2      ARG  34  -6.015   5.290   6.007
  237    HD3  ARG  34           HD3      ARG  34  -7.504   4.327   6.037
  238    HE   ARG  34           HE       ARG  34  -6.418   4.337   8.654
  239   HH11  ARG  34          HH11      ARG  34  -7.880   6.587   6.355
  240   HH12  ARG  34          HH12      ARG  34  -8.524   7.625   7.606
  241   HH21  ARG  34          HH21      ARG  34  -7.264   5.711  10.267
  242   HH22  ARG  34          HH22      ARG  34  -8.180   7.126   9.817
  243    H    CYS  35           H        CYS  35  -2.567   2.316   3.746
  244    HA   CYS  35           HA       CYS  35  -0.870   1.947   6.172
  245    HB2  CYS  35           HB2      CYS  35  -0.145   1.241   3.330
  246    HB3  CYS  35           HB3      CYS  35   0.849   0.991   4.761
  247    H    SER  36           H        SER  36   1.523   2.810   5.301
  248    HA   SER  36           HA       SER  36   0.970   5.684   4.803
  249    HB2  SER  36           HB2      SER  36   3.215   4.181   6.186
  250    HB3  SER  36           HB3      SER  36   3.223   5.930   5.896
  251    HG   SER  36           HG       SER  36   2.365   5.403   7.951
  252    H    ASN  37           H        ASN  37   2.813   2.929   3.475
  253    HA   ASN  37           HA       ASN  37   3.502   4.552   1.145
  254    HB2  ASN  37           HB2      ASN  37   5.282   4.996   2.957
  255    HB3  ASN  37           HB3      ASN  37   5.764   3.313   2.768
  256   HD21  ASN  37          HD21      ASN  37   7.853   4.444   2.219
  257   HD22  ASN  37          HD22      ASN  37   8.102   4.904   0.551
  258    H    ALA  38           H        ALA  38   5.170   2.944  -0.238
  259    HA   ALA  38           HA       ALA  38   4.289   0.150   0.030
  260    HB1  ALA  38           HB1      ALA  38   3.270   0.096  -2.177
  261    HB2  ALA  38           HB2      ALA  38   2.477   1.368  -1.223
  262    HB3  ALA  38           HB3      ALA  38   3.694   1.793  -2.457
  263    H    GLN  39           H        GLN  39   5.194  -1.221  -1.702
  264    HA   GLN  39           HA       GLN  39   7.396  -0.200  -3.326
  265    HB2  GLN  39           HB2      GLN  39   9.026  -1.812  -2.476
  266    HB3  GLN  39           HB3      GLN  39   8.553  -0.673  -1.210
  267    HG2  GLN  39           HG2      GLN  39   7.091  -2.314  -0.184
  268    HG3  GLN  39           HG3      GLN  39   7.319  -3.443  -1.535
  269   HE21  GLN  39          HE21      GLN  39   9.328  -1.590   0.839
  270   HE22  GLN  39          HE22      GLN  39  10.456  -2.900   1.129
  271    H    CYS  40           H        CYS  40   8.248  -2.076  -4.727
  272    HA   CYS  40           HA       CYS  40   6.012  -3.975  -5.270
  273    HB2  CYS  40           HB2      CYS  40   6.294  -2.424  -7.067
  274    HB3  CYS  40           HB3      CYS  40   8.034  -2.719  -7.128
  275    H    THR  41           H        THR  41   6.443  -6.123  -5.564
  276    HA   THR  41           HA       THR  41   9.190  -7.063  -4.878
  277    HB   THR  41           HB       THR  41   8.173  -8.725  -3.366
  278    HG1  THR  41           HG1      THR  41   5.979  -8.371  -2.783
  279   HG21  THR  41          HG21      THR  41   7.355  -5.873  -2.671
  280   HG22  THR  41          HG22      THR  41   7.633  -7.204  -1.530
  281   HG23  THR  41          HG23      THR  41   8.989  -6.542  -2.469
  282    H    GLY  42           H        GLY  42   9.273  -9.542  -5.124
  283    HA2  GLY  42           HA2      GLY  42   8.211 -11.444  -6.355
  284    HA3  GLY  42           HA3      GLY  42   7.917 -10.310  -7.681
  285    H    PHE  43           H        PHE  43   9.247 -12.405  -8.511
  286    HA   PHE  43           HA       PHE  43  12.096 -12.326  -8.076
  287    HB2  PHE  43           HB2      PHE  43  10.890 -14.362  -8.682
  288    HB3  PHE  43           HB3      PHE  43  10.356 -13.628 -10.198
  289    HD1  PHE  43           HD2      PHE  43  13.591 -14.241  -8.362
  290    HD2  PHE  43           HD1      PHE  43  11.494 -14.258 -12.118
  291    HE1  PHE  43           HE2      PHE  43  15.624 -15.102  -9.496
  292    HE2  PHE  43           HE1      PHE  43  13.524 -15.114 -13.250
  293    HZ   PHE  43           HZ       PHE  43  15.592 -15.538 -11.939
  294    H    LEU  44           H        LEU  44   9.921 -10.559 -10.145
  295    HA   LEU  44           HA       LEU  44  12.229  -9.223 -11.442
  296    HB2  LEU  44           HB2      LEU  44   9.723 -10.268 -12.820
  297    HB3  LEU  44           HB3      LEU  44  10.885  -9.176 -13.577
  298    HG   LEU  44           HG       LEU  44  11.583 -11.951 -12.529
  299   HD11  LEU  44          HD11      LEU  44  11.107 -10.965 -15.370
  300   HD12  LEU  44          HD12      LEU  44  11.650 -12.596 -14.900
  301   HD13  LEU  44          HD13      LEU  44  10.029 -12.036 -14.444
  302   HD21  LEU  44          HD21      LEU  44  13.641 -11.622 -13.870
  303   HD22  LEU  44          HD22      LEU  44  13.115  -9.975 -14.279
  304   HD23  LEU  44          HD23      LEU  44  13.515 -10.387 -12.597
  305    H    GLY  45           H        GLY  45   9.921  -8.808  -9.284
  306    HA2  GLY  45           HA2      GLY  45   8.804  -6.955  -8.488
  307    HA3  GLY  45           HA3      GLY  45   9.524  -5.992  -9.792
  308    H    THR  46           H        THR  46   6.867  -8.190  -8.928
  309    HA   THR  46           HA       THR  46   5.262  -7.079 -11.152
  310    HB   THR  46           HB       THR  46   4.433  -9.404 -11.657
  311    HG1  THR  46           HG1      THR  46   5.745 -11.100 -10.922
  312   HG21  THR  46          HG21      THR  46   6.147  -8.293 -13.066
  313   HG22  THR  46          HG22      THR  46   7.429  -9.017 -12.065
  314   HG23  THR  46          HG23      THR  46   6.346 -10.056 -13.023
  315    H    THR  47           H        THR  47   5.462  -7.444  -7.902
  316    HA   THR  47           HA       THR  47   2.502  -7.657  -7.638
  317    HB   THR  47           HB       THR  47   4.573  -8.933  -5.808
  318    HG1  THR  47           HG1      THR  47   2.688 -10.073  -7.593
  319   HG21  THR  47          HG21      THR  47   1.525  -8.971  -5.769
  320   HG22  THR  47          HG22      THR  47   2.573 -10.006  -4.769
  321   HG23  THR  47          HG23      THR  47   2.595  -8.248  -4.542
  322    H    CYS  48           H        CYS  48   1.576  -6.384  -6.022
  323    HA   CYS  48           HA       CYS  48   3.255  -4.120  -5.150
  324    HB2  CYS  48           HB2      CYS  48   1.191  -3.642  -6.334
  325    HB3  CYS  48           HB3      CYS  48   0.263  -4.609  -5.189
  326    H    THR  49           H        THR  49   3.728  -3.655  -3.059
  327    HA   THR  49           HA       THR  49   2.403  -5.191  -0.895
  328    HB   THR  49           HB       THR  49   5.409  -4.841  -1.233
  329    HG1  THR  49           HG1      THR  49   4.570  -6.494  -2.498
  330   HG21  THR  49          HG21      THR  49   3.775  -6.178   0.968
  331   HG22  THR  49          HG22      THR  49   5.545  -6.275   0.797
  332   HG23  THR  49          HG23      THR  49   4.780  -4.716   1.140
  333    H    CYS  50           H        CYS  50   2.228  -4.052   1.065
  334    HA   CYS  50           HA       CYS  50   2.746  -1.137   0.783
  335    HB2  CYS  50           HB2      CYS  50   0.866  -2.586   2.657
  336    HB3  CYS  50           HB3      CYS  50   1.036  -0.838   2.453
  337    H    ILE  51           H        ILE  51   3.271   0.066   2.766
  338    HA   ILE  51           HA       ILE  51   5.324  -1.396   4.364
  339    HB   ILE  51           HB       ILE  51   5.045   1.533   3.623
  340   HG12  ILE  51          HG12      ILE  51   5.671   0.155   1.688
  341   HG13  ILE  51          HG13      ILE  51   6.986   1.215   2.200
  342   HG21  ILE  51          HG21      ILE  51   7.372   1.724   4.523
  343   HG22  ILE  51          HG22      ILE  51   6.153   1.379   5.756
  344   HG23  ILE  51          HG23      ILE  51   7.214   0.071   5.177
  345   HD11  ILE  51          HD11      ILE  51   6.756  -1.760   2.841
  346   HD12  ILE  51          HD12      ILE  51   7.808  -1.019   1.617
  347   HD13  ILE  51          HD13      ILE  51   8.088  -0.693   3.338
  348    H    ASN  52           H        ASN  52   5.382  -1.160   6.595
  349    HA   ASN  52           HA       ASN  52   2.854  -0.631   7.863
  350    HB2  ASN  52           HB2      ASN  52   5.619  -1.145   9.027
  351    HB3  ASN  52           HB3      ASN  52   4.098  -1.220   9.921
  352   HD21  ASN  52          HD21      ASN  52   2.443  -2.827   9.165
  353   HD22  ASN  52          HD22      ASN  52   3.021  -4.328   8.476
  354    HA   PRO  53           HA       PRO  53   2.349  -0.112  10.209
  355    HB2  PRO  53           HB2      PRO  53   0.553   1.668  11.199
  356    HB3  PRO  53           HB3      PRO  53   2.204   1.525  11.883
  357    HG2  PRO  53           HG2      PRO  53   1.217   3.506   9.803
  358    HG3  PRO  53           HG3      PRO  53   2.103   3.853  11.331
  359    HD2  PRO  53           HD2      PRO  53   3.394   3.632   8.933
  360    HD3  PRO  53           HD3      PRO  53   4.131   3.000  10.435
  361    H    CYS  54           H        CYS  54   0.045  -0.659  10.003
  362    HA   CYS  54           HA       CYS  54  -1.327   0.439   7.618
  363    HB2  CYS  54           HB2      CYS  54  -0.626  -2.452   8.135
  364    HB3  CYS  54           HB3      CYS  54  -1.923  -1.969   7.038
  365    HA   PRO  55           HA       PRO  55  -4.011  -0.161  11.423
  366    HB2  PRO  55           HB2      PRO  55  -5.250   2.293  11.291
  367    HB3  PRO  55           HB3      PRO  55  -3.680   2.018  12.118
  368    HG2  PRO  55           HG2      PRO  55  -4.135   2.998   9.278
  369    HG3  PRO  55           HG3      PRO  55  -3.100   3.743  10.547
  370    HD2  PRO  55           HD2      PRO  55  -2.011   2.123   8.700
  371    HD3  PRO  55           HD3      PRO  55  -1.527   1.954  10.418
  372    H    ARG  56           H        ARG  56  -6.401  -0.208  11.492
  373    HA   ARG  56           HA       ARG  56  -7.382  -1.293   8.987
  374    HB2  ARG  56           HB2      ARG  56  -8.765  -0.911  11.670
  375    HB3  ARG  56           HB3      ARG  56  -9.394  -1.841  10.296
  376    HG2  ARG  56           HG2      ARG  56  -7.360  -3.297  10.394
  377    HG3  ARG  56           HG3      ARG  56  -6.847  -2.421  11.856
  378    HD2  ARG  56           HD2      ARG  56  -8.969  -3.080  12.968
  379    HD3  ARG  56           HD3      ARG  56  -9.453  -3.956  11.498
  380    HE   ARG  56           HE       ARG  56  -6.901  -4.903  12.334
  381   HH11  ARG  56          HH11      ARG  56 -10.287  -4.976  13.357
  382   HH12  ARG  56          HH12      ARG  56 -10.124  -6.496  14.203
  383   HH21  ARG  56          HH21      ARG  56  -6.717  -6.890  13.442
  384   HH22  ARG  56          HH22      ARG  56  -8.113  -7.582  14.231
  385    H    CYS  57           H        CYS  57  -9.485  -0.765   8.084
  386    HA   CYS  57           HA       CYS  57 -10.382   2.031   8.370
  387    HB2  CYS  57           HB2      CYS  57  -8.617   2.124   6.681
  388    HB3  CYS  57           HB3      CYS  57  -9.354   0.789   5.796
  Start of MODEL   13
    1    HA   PCA   1           HA       PCA   1 -17.349  -2.327  -1.209
    2    HB2  PCA   1           HB2      PCA   1 -14.645  -3.592  -0.686
    3    HB3  PCA   1           HB3      PCA   1 -15.983  -3.294   0.480
    4    HG2  PCA   1           HG2      PCA   1 -17.267  -5.089  -0.416
    5    HG3  PCA   1           HG3      PCA   1 -15.617  -5.743  -0.721
    6    H    ASN   2           H        ASN   2 -15.979  -0.602  -0.078
    7    HA   ASN   2           HA       ASN   2 -14.701   1.047  -2.095
    8    HB2  ASN   2           HB2      ASN   2 -16.311   1.843  -0.294
    9    HB3  ASN   2           HB3      ASN   2 -15.021   1.565   0.886
   10   HD21  ASN   2          HD21      ASN   2 -15.268   3.891   1.346
   11   HD22  ASN   2          HD22      ASN   2 -14.460   5.053   0.316
   12    H    CYS   3           H        CYS   3 -13.564  -1.556  -0.638
   13    HA   CYS   3           HA       CYS   3 -10.778  -0.586  -0.581
   14    HB2  CYS   3           HB2      CYS   3 -10.398  -1.793   1.574
   15    HB3  CYS   3           HB3      CYS   3 -11.347  -0.318   1.687
   16    HA   PRO   4           HA       PRO   4 -11.535  -4.638  -2.726
   17    HB2  PRO   4           HB2      PRO   4 -10.498  -4.015  -5.148
   18    HB3  PRO   4           HB3      PRO   4 -12.119  -3.430  -4.651
   19    HG2  PRO   4           HG2      PRO   4  -9.483  -1.937  -4.444
   20    HG3  PRO   4           HG3      PRO   4 -11.010  -1.372  -5.200
   21    HD2  PRO   4           HD2      PRO   4 -10.366  -0.719  -2.645
   22    HD3  PRO   4           HD3      PRO   4 -12.053  -1.093  -3.096
   23    H    THR   5           H        THR   5  -9.825  -5.985  -4.001
   24    HA   THR   5           HA       THR   5  -7.185  -5.693  -2.647
   25    HB   THR   5           HB       THR   5  -8.375  -8.159  -3.951
   26    HG1  THR   5           HG1      THR   5  -8.870  -8.783  -1.846
   27   HG21  THR   5          HG21      THR   5  -6.670  -9.315  -2.585
   28   HG22  THR   5          HG22      THR   5  -5.920  -8.147  -3.693
   29   HG23  THR   5          HG23      THR   5  -6.098  -7.748  -1.966
   30    H    ARG   6           H        ARG   6  -5.489  -5.115  -3.936
   31    HA   ARG   6           HA       ARG   6  -5.468  -5.971  -6.784
   32    HB2  ARG   6           HB2      ARG   6  -4.870  -3.177  -5.724
   33    HB3  ARG   6           HB3      ARG   6  -4.514  -3.717  -7.365
   34    HG2  ARG   6           HG2      ARG   6  -7.343  -3.703  -6.225
   35    HG3  ARG   6           HG3      ARG   6  -6.602  -2.309  -7.019
   36    HD2  ARG   6           HD2      ARG   6  -7.866  -3.411  -8.686
   37    HD3  ARG   6           HD3      ARG   6  -6.157  -3.731  -9.032
   38    HE   ARG   6           HE       ARG   6  -7.462  -5.795  -7.431
   39   HH11  ARG   6          HH11      ARG   6  -6.834  -4.666 -10.723
   40   HH12  ARG   6          HH12      ARG   6  -7.074  -6.240 -11.437
   41   HH21  ARG   6          HH21      ARG   6  -7.765  -7.842  -8.387
   42   HH22  ARG   6          HH22      ARG   6  -7.590  -8.041 -10.112
   43    H    ARG   7           H        ARG   7  -3.520  -6.788  -7.379
   44    HA   ARG   7           HA       ARG   7  -1.139  -6.228  -5.646
   45    HB2  ARG   7           HB2      ARG   7  -2.050  -8.892  -6.794
   46    HB3  ARG   7           HB3      ARG   7  -0.499  -8.621  -6.007
   47    HG2  ARG   7           HG2      ARG   7  -3.179  -8.233  -4.606
   48    HG3  ARG   7           HG3      ARG   7  -2.255  -9.740  -4.612
   49    HD2  ARG   7           HD2      ARG   7  -1.677  -8.731  -2.588
   50    HD3  ARG   7           HD3      ARG   7  -0.291  -8.419  -3.644
   51    HE   ARG   7           HE       ARG   7  -1.967  -6.203  -3.932
   52   HH11  ARG   7          HH11      ARG   7  -0.329  -7.782  -1.228
   53   HH12  ARG   7          HH12      ARG   7  -0.215  -6.314  -0.289
   54   HH21  ARG   7          HH21      ARG   7  -1.796  -4.311  -2.709
   55   HH22  ARG   7          HH22      ARG   7  -1.039  -4.339  -1.136
   56    H    GLY   8           H        GLY   8  -2.518  -6.460  -8.820
   57    HA2  GLY   8           HA2      GLY   8   0.047  -6.918 -10.172
   58    HA3  GLY   8           HA3      GLY   8  -1.548  -6.739 -10.923
   59    H    LEU   9           H        LEU   9  -0.866  -4.287  -8.605
   60    HA   LEU   9           HA       LEU   9  -1.149  -2.212 -10.519
   61    HB2  LEU   9           HB2      LEU   9  -0.012  -2.183  -7.698
   62    HB3  LEU   9           HB3      LEU   9  -0.527  -0.748  -8.605
   63    HG   LEU   9           HG       LEU   9  -2.348  -3.092  -7.889
   64   HD11  LEU   9          HD11      LEU   9  -2.088  -0.323  -6.654
   65   HD12  LEU   9          HD12      LEU   9  -3.324  -1.535  -6.250
   66   HD13  LEU   9          HD13      LEU   9  -1.615  -1.869  -5.895
   67   HD21  LEU   9          HD21      LEU   9  -2.924  -0.325  -9.035
   68   HD22  LEU   9          HD22      LEU   9  -3.102  -1.871  -9.898
   69   HD23  LEU   9          HD23      LEU   9  -4.157  -1.495  -8.521
   70    H    CYS  10           H        CYS  10   1.745  -3.888  -9.365
   71    HA   CYS  10           HA       CYS  10   3.547  -1.825 -10.363
   72    HB2  CYS  10           HB2      CYS  10   3.969  -4.628  -9.302
   73    HB3  CYS  10           HB3      CYS  10   5.280  -3.563  -9.812
   74    H    VAL  11           H        VAL  11   1.570  -3.785 -12.071
   75    HA   VAL  11           HA       VAL  11   3.598  -4.185 -14.238
   76    HB   VAL  11           HB       VAL  11   1.154  -5.887 -13.603
   77   HG11  VAL  11          HG11      VAL  11   3.383  -6.199 -15.659
   78   HG12  VAL  11          HG12      VAL  11   2.150  -7.426 -15.299
   79   HG13  VAL  11          HG13      VAL  11   1.666  -5.876 -16.009
   80   HG21  VAL  11          HG21      VAL  11   2.831  -7.620 -13.020
   81   HG22  VAL  11          HG22      VAL  11   4.133  -6.424 -13.254
   82   HG23  VAL  11          HG23      VAL  11   2.949  -6.217 -11.945
   83    H    THR  12           H        THR  12   0.448  -2.915 -13.302
   84    HA   THR  12           HA       THR  12  -0.234  -2.447 -16.156
   85    HB   THR  12           HB       THR  12  -1.861  -3.561 -14.661
   86    HG1  THR  12           HG1      THR  12  -3.584  -2.240 -15.309
   87   HG21  THR  12          HG21      THR  12  -1.333  -2.354 -12.571
   88   HG22  THR  12          HG22      THR  12  -1.989  -0.850 -13.266
   89   HG23  THR  12          HG23      THR  12  -3.062  -2.238 -12.970
   90    H    SER  13           H        SER  13   1.072  -0.807 -13.425
   91    HA   SER  13           HA       SER  13   1.018   1.722 -14.976
   92    HB2  SER  13           HB2      SER  13  -1.003   1.658 -13.457
   93    HB3  SER  13           HB3      SER  13   0.109   1.565 -12.082
   94    HG   SER  13           HG       SER  13  -0.560   3.728 -12.613
   95    H    GLY  14           H        GLY  14   2.127  -0.129 -12.151
   96    HA2  GLY  14           HA2      GLY  14   4.559  -0.329 -11.825
   97    HA3  GLY  14           HA3      GLY  14   4.706   1.388 -12.212
   98    H    LEU  15           H        LEU  15   5.868   1.461 -10.133
   99    HA   LEU  15           HA       LEU  15   4.708   0.797  -7.646
  100    HB2  LEU  15           HB2      LEU  15   7.098   1.184  -7.995
  101    HB3  LEU  15           HB3      LEU  15   6.788   2.864  -8.457
  102    HG   LEU  15           HG       LEU  15   5.975   3.367  -6.184
  103   HD11  LEU  15          HD11      LEU  15   6.291   1.687  -4.376
  104   HD12  LEU  15          HD12      LEU  15   5.076   1.155  -5.551
  105   HD13  LEU  15          HD13      LEU  15   6.719   0.467  -5.600
  106   HD21  LEU  15          HD21      LEU  15   8.363   3.627  -6.713
  107   HD22  LEU  15          HD22      LEU  15   8.142   3.141  -5.023
  108   HD23  LEU  15          HD23      LEU  15   8.661   1.936  -6.226
  109    H    THR  16           H        THR  16   4.200   3.635  -9.710
  110    HA   THR  16           HA       THR  16   3.334   5.439  -7.694
  111    HB   THR  16           HB       THR  16   2.369   5.288 -10.576
  112    HG1  THR  16           HG1      THR  16   4.678   6.510  -9.473
  113   HG21  THR  16          HG21      THR  16   2.228   7.755 -10.326
  114   HG22  THR  16          HG22      THR  16   1.162   6.916  -9.178
  115   HG23  THR  16          HG23      THR  16   2.702   7.602  -8.620
  116    H    ALA  17           H        ALA  17   1.490   2.964  -9.583
  117    HA   ALA  17           HA       ALA  17  -1.003   3.812  -8.331
  118    HB1  ALA  17           HB1      ALA  17  -0.970   2.855 -10.590
  119    HB2  ALA  17           HB2      ALA  17  -0.305   1.332  -9.952
  120    HB3  ALA  17           HB3      ALA  17  -1.946   1.854  -9.497
  121    H    CYS  18           H        CYS  18   1.534   1.420  -7.700
  122    HA   CYS  18           HA       CYS  18   0.048  -0.139  -5.799
  123    HB2  CYS  18           HB2      CYS  18   2.052  -0.964  -6.919
  124    HB3  CYS  18           HB3      CYS  18   3.013   0.347  -6.237
  125    H    ARG  19           H        ARG  19   1.952   2.866  -5.598
  126    HA   ARG  19           HA       ARG  19   1.899   2.930  -2.690
  127    HB2  ARG  19           HB2      ARG  19   3.657   3.937  -4.208
  128    HB3  ARG  19           HB3      ARG  19   2.477   5.183  -4.651
  129    HG2  ARG  19           HG2      ARG  19   2.276   5.851  -2.267
  130    HG3  ARG  19           HG3      ARG  19   3.418   4.569  -1.816
  131    HD2  ARG  19           HD2      ARG  19   5.143   5.630  -3.265
  132    HD3  ARG  19           HD3      ARG  19   4.018   6.941  -3.633
  133    HE   ARG  19           HE       ARG  19   5.325   6.376  -1.018
  134   HH11  ARG  19          HH11      ARG  19   3.240   8.468  -2.956
  135   HH12  ARG  19          HH12      ARG  19   3.321   9.795  -1.814
  136   HH21  ARG  19          HH21      ARG  19   5.406   8.114   0.447
  137   HH22  ARG  19          HH22      ARG  19   4.537   9.590   0.106
  138    H    ASN  20           H        ASN  20   0.001   4.332  -5.359
  139    HA   ASN  20           HA       ASN  20  -1.608   6.017  -3.644
  140    HB2  ASN  20           HB2      ASN  20  -2.034   4.945  -6.461
  141    HB3  ASN  20           HB3      ASN  20  -3.067   6.155  -5.688
  142   HD21  ASN  20          HD21      ASN  20  -1.953   6.853  -8.048
  143   HD22  ASN  20          HD22      ASN  20  -0.644   7.992  -7.805
  144    H    HIS  21           H        HIS  21  -1.619   2.602  -4.333
  145    HA   HIS  21           HA       HIS  21  -4.421   2.272  -3.493
  146    HB2  HIS  21           HB2      HIS  21  -3.472   0.916  -5.300
  147    HB3  HIS  21           HB3      HIS  21  -2.215   0.315  -4.213
  148    HD1  HIS  21           HD1      HIS  21  -6.080   0.083  -4.555
  149    HD2  HIS  21           HD2      HIS  21  -2.756  -1.826  -2.837
  150    HE1  HIS  21           HE1      HIS  21  -6.928  -2.115  -3.572
  151    H    CYS  22           H        CYS  22  -1.121   1.907  -2.206
  152    HA   CYS  22           HA       CYS  22  -2.034   0.642   0.257
  153    HB2  CYS  22           HB2      CYS  22   0.582   1.902  -0.600
  154    HB3  CYS  22           HB3      CYS  22   0.340   1.140   0.966
  155    H    ARG  23           H        ARG  23  -1.587   3.974  -0.875
  156    HA   ARG  23           HA       ARG  23  -1.752   5.036   1.862
  157    HB2  ARG  23           HB2      ARG  23  -1.519   6.334  -0.876
  158    HB3  ARG  23           HB3      ARG  23  -1.727   7.252   0.637
  159    HG2  ARG  23           HG2      ARG  23   0.296   6.219   1.577
  160    HG3  ARG  23           HG3      ARG  23   0.526   5.264   0.104
  161    HD2  ARG  23           HD2      ARG  23   1.985   7.235   0.097
  162    HD3  ARG  23           HD3      ARG  23   0.798   7.324  -1.212
  163    HE   ARG  23           HE       ARG  23  -0.145   9.194  -0.239
  164   HH11  ARG  23          HH11      ARG  23   1.950   7.626   2.161
  165   HH12  ARG  23          HH12      ARG  23   1.847   8.968   3.270
  166   HH21  ARG  23          HH21      ARG  23  -0.264  10.896   1.246
  167   HH22  ARG  23          HH22      ARG  23   0.573  10.788   2.780
  168    H    SER  24           H        SER  24  -3.938   3.610  -0.026
  169    HA   SER  24           HA       SER  24  -6.177   5.199   1.136
  170    HB2  SER  24           HB2      SER  24  -6.073   3.791  -1.556
  171    HB3  SER  24           HB3      SER  24  -7.519   4.533  -0.828
  172    HG   SER  24           HG       SER  24  -6.426   5.933  -2.298
  173    H    CYS  25           H        CYS  25  -8.172   3.689   1.418
  174    HA   CYS  25           HA       CYS  25  -7.122   1.388   2.822
  175    HB2  CYS  25           HB2      CYS  25  -9.015   2.865   3.588
  176    HB3  CYS  25           HB3      CYS  25 -10.041   2.040   2.405
  177    H    HIS  26           H        HIS  26  -7.239  -0.744   2.342
  178    HA   HIS  26           HA       HIS  26  -8.566  -1.677  -0.135
  179    HB2  HIS  26           HB2      HIS  26  -6.383  -2.777  -0.767
  180    HB3  HIS  26           HB3      HIS  26  -6.385  -1.008  -0.912
  181    HD1  HIS  26           HD1      HIS  26  -4.637   0.300   0.519
  182    HD2  HIS  26           HD2      HIS  26  -5.054  -3.780   1.493
  183    HE1  HIS  26           HE1      HIS  26  -2.801  -0.237   2.237
  184    HE2  HIS  26           HE2      HIS  26  -3.074  -2.718   2.825
  185    H    ARG  27           H        ARG  27  -8.336  -4.153  -0.216
  186    HA   ARG  27           HA       ARG  27  -9.131  -5.158   2.373
  187    HB2  ARG  27           HB2      ARG  27  -9.439  -5.883  -0.354
  188    HB3  ARG  27           HB3      ARG  27  -8.590  -7.226   0.411
  189    HG2  ARG  27           HG2      ARG  27 -11.211  -5.971   1.344
  190    HG3  ARG  27           HG3      ARG  27 -11.047  -7.506   0.483
  191    HD2  ARG  27           HD2      ARG  27  -9.956  -6.882   3.263
  192    HD3  ARG  27           HD3      ARG  27 -11.367  -7.879   2.892
  193    HE   ARG  27           HE       ARG  27  -8.550  -8.634   2.655
  194   HH11  ARG  27          HH11      ARG  27 -11.855  -9.387   1.645
  195   HH12  ARG  27          HH12      ARG  27 -11.477 -11.056   1.278
  196   HH21  ARG  27          HH21      ARG  27  -8.092 -10.777   2.181
  197   HH22  ARG  27          HH22      ARG  27  -9.344 -11.847   1.586
  198    H    GLY  28           H        GLY  28  -8.012  -6.287   3.850
  199    HA2  GLY  28           HA2      GLY  28  -5.113  -6.779   3.390
  200    HA3  GLY  28           HA3      GLY  28  -5.935  -6.628   4.947
  201    H    ASP  29           H        ASP  29  -5.027  -8.623   5.670
  202    HA   ASP  29           HA       ASP  29  -5.691 -11.084   4.204
  203    HB2  ASP  29           HB2      ASP  29  -3.465 -10.652   5.251
  204    HB3  ASP  29           HB3      ASP  29  -4.241 -10.643   6.835
  205    H    VAL  30           H        VAL  30  -7.039  -9.171   6.770
  206    HA   VAL  30           HA       VAL  30  -9.008 -11.329   7.307
  207    HB   VAL  30           HB       VAL  30  -7.213 -11.393   9.019
  208   HG11  VAL  30          HG11      VAL  30  -8.213  -8.605   9.765
  209   HG12  VAL  30          HG12      VAL  30  -7.031  -9.575  10.664
  210   HG13  VAL  30          HG13      VAL  30  -6.627  -8.979   9.044
  211   HG21  VAL  30          HG21      VAL  30  -9.548 -12.064   9.553
  212   HG22  VAL  30          HG22      VAL  30  -8.659 -11.434  10.962
  213   HG23  VAL  30          HG23      VAL  30  -9.863 -10.414  10.152
  214    H    GLY  31           H        GLY  31  -8.333  -8.026   6.642
  215    HA2  GLY  31           HA2      GLY  31 -11.073  -7.305   6.421
  216    HA3  GLY  31           HA3      GLY  31 -10.424  -6.660   7.945
  217    H    CYS  32           H        CYS  32 -11.177  -4.734   6.236
  218    HA   CYS  32           HA       CYS  32  -9.054  -4.095   4.354
  219    HB2  CYS  32           HB2      CYS  32 -11.496  -2.563   5.273
  220    HB3  CYS  32           HB3      CYS  32 -10.323  -1.959   4.096
  221    H    VAL  33           H        VAL  33  -7.519  -2.542   4.442
  222    HA   VAL  33           HA       VAL  33  -7.128  -0.982   6.918
  223    HB   VAL  33           HB       VAL  33  -4.780  -1.751   7.098
  224   HG11  VAL  33          HG11      VAL  33  -6.754  -4.057   7.292
  225   HG12  VAL  33          HG12      VAL  33  -5.215  -3.890   8.161
  226   HG13  VAL  33          HG13      VAL  33  -6.555  -2.773   8.505
  227   HG21  VAL  33          HG21      VAL  33  -4.466  -2.546   4.781
  228   HG22  VAL  33          HG22      VAL  33  -4.064  -3.807   5.973
  229   HG23  VAL  33          HG23      VAL  33  -5.601  -3.878   5.079
  230    H    ARG  34           H        ARG  34  -5.312   0.546   6.687
  231    HA   ARG  34           HA       ARG  34  -4.639   1.290   3.891
  232    HB2  ARG  34           HB2      ARG  34  -4.959   3.690   4.607
  233    HB3  ARG  34           HB3      ARG  34  -6.456   2.756   4.476
  234    HG2  ARG  34           HG2      ARG  34  -6.467   2.372   6.919
  235    HG3  ARG  34           HG3      ARG  34  -4.978   3.327   7.081
  236    HD2  ARG  34           HD2      ARG  34  -6.108   5.315   6.284
  237    HD3  ARG  34           HD3      ARG  34  -7.573   4.383   5.891
  238    HE   ARG  34           HE       ARG  34  -7.212   3.864   8.558
  239   HH11  ARG  34          HH11      ARG  34  -7.444   6.848   6.678
  240   HH12  ARG  34          HH12      ARG  34  -8.162   7.754   7.991
  241   HH21  ARG  34          HH21      ARG  34  -8.145   5.056  10.242
  242   HH22  ARG  34          HH22      ARG  34  -8.535   6.749  10.019
  243    H    CYS  35           H        CYS  35  -2.555   2.244   3.689
  244    HA   CYS  35           HA       CYS  35  -0.858   1.885   6.119
  245    HB2  CYS  35           HB2      CYS  35  -0.191   1.181   3.256
  246    HB3  CYS  35           HB3      CYS  35   0.839   0.921   4.657
  247    H    SER  36           H        SER  36   1.550   2.685   5.170
  248    HA   SER  36           HA       SER  36   1.051   5.596   4.804
  249    HB2  SER  36           HB2      SER  36   2.191   4.708   6.867
  250    HB3  SER  36           HB3      SER  36   3.521   4.162   5.832
  251    HG   SER  36           HG       SER  36   3.871   6.260   6.718
  252    H    ASN  37           H        ASN  37   2.961   2.869   3.468
  253    HA   ASN  37           HA       ASN  37   3.561   4.477   1.084
  254    HB2  ASN  37           HB2      ASN  37   5.334   4.918   2.880
  255    HB3  ASN  37           HB3      ASN  37   5.819   3.232   2.696
  256   HD21  ASN  37          HD21      ASN  37   7.908   4.387   2.155
  257   HD22  ASN  37          HD22      ASN  37   8.160   4.824   0.476
  258    H    ALA  38           H        ALA  38   5.220   2.857  -0.304
  259    HA   ALA  38           HA       ALA  38   4.341   0.065  -0.045
  260    HB1  ALA  38           HB1      ALA  38   2.481   1.255  -1.233
  261    HB2  ALA  38           HB2      ALA  38   3.649   1.715  -2.502
  262    HB3  ALA  38           HB3      ALA  38   3.272   0.003  -2.223
  263    H    GLN  39           H        GLN  39   5.268  -1.301  -1.776
  264    HA   GLN  39           HA       GLN  39   7.332  -0.182  -3.502
  265    HB2  GLN  39           HB2      GLN  39   9.098  -1.673  -2.702
  266    HB3  GLN  39           HB3      GLN  39   8.598  -0.564  -1.412
  267    HG2  GLN  39           HG2      GLN  39   7.266  -2.314  -0.356
  268    HG3  GLN  39           HG3      GLN  39   7.583  -3.420  -1.714
  269   HE21  GLN  39          HE21      GLN  39   9.412  -1.408   0.682
  270   HE22  GLN  39          HE22      GLN  39  10.668  -2.600   0.946
  271    H    CYS  40           H        CYS  40   8.173  -1.911  -4.995
  272    HA   CYS  40           HA       CYS  40   6.017  -3.872  -5.539
  273    HB2  CYS  40           HB2      CYS  40   8.307  -2.863  -7.236
  274    HB3  CYS  40           HB3      CYS  40   7.144  -4.100  -7.740
  275    H    THR  41           H        THR  41   6.400  -6.066  -5.711
  276    HA   THR  41           HA       THR  41   9.033  -7.099  -4.770
  277    HB   THR  41           HB       THR  41   7.848  -8.581  -3.196
  278    HG1  THR  41           HG1      THR  41   5.659  -8.129  -2.778
  279   HG21  THR  41          HG21      THR  41   7.159  -5.652  -2.721
  280   HG22  THR  41          HG22      THR  41   7.317  -6.931  -1.491
  281   HG23  THR  41          HG23      THR  41   8.741  -6.393  -2.406
  282    H    GLY  42           H        GLY  42   8.682  -9.694  -4.684
  283    HA2  GLY  42           HA2      GLY  42   8.247 -11.640  -5.860
  284    HA3  GLY  42           HA3      GLY  42   7.046 -10.776  -6.827
  285    H    PHE  43           H        PHE  43   8.340 -12.409  -8.361
  286    HA   PHE  43           HA       PHE  43  10.935 -11.595  -9.254
  287    HB2  PHE  43           HB2      PHE  43   9.912 -13.845  -9.600
  288    HB3  PHE  43           HB3      PHE  43   8.784 -13.134 -10.751
  289    HD1  PHE  43           HD1      PHE  43   9.573 -12.337 -12.964
  290    HD2  PHE  43           HD2      PHE  43  12.260 -14.177 -10.155
  291    HE1  PHE  43           HE1      PHE  43  11.247 -12.649 -14.764
  292    HE2  PHE  43           HE2      PHE  43  13.923 -14.504 -11.957
  293    HZ   PHE  43           HZ       PHE  43  13.428 -13.730 -14.263
  294    H    LEU  44           H        LEU  44  11.586 -10.237 -10.854
  295    HA   LEU  44           HA       LEU  44  11.570  -8.376 -12.082
  296    HB2  LEU  44           HB2      LEU  44  10.633 -10.203 -13.576
  297    HB3  LEU  44           HB3      LEU  44   9.043  -9.472 -13.351
  298    HG   LEU  44           HG       LEU  44   9.953  -7.324 -14.325
  299   HD11  LEU  44          HD11      LEU  44  12.400  -9.076 -14.834
  300   HD12  LEU  44          HD12      LEU  44  12.114  -7.478 -15.566
  301   HD13  LEU  44          HD13      LEU  44  12.350  -7.621 -13.815
  302   HD21  LEU  44          HD21      LEU  44   8.769  -8.986 -15.705
  303   HD22  LEU  44          HD22      LEU  44  10.046  -8.170 -16.631
  304   HD23  LEU  44          HD23      LEU  44  10.302  -9.827 -16.012
  305    H    GLY  45           H        GLY  45   9.814  -8.408  -9.527
  306    HA2  GLY  45           HA2      GLY  45   8.748  -6.758  -8.361
  307    HA3  GLY  45           HA3      GLY  45   9.053  -5.650  -9.716
  308    H    THR  46           H        THR  46   7.302  -8.673 -10.273
  309    HA   THR  46           HA       THR  46   5.120  -7.141 -11.382
  310    HB   THR  46           HB       THR  46   4.188  -9.382 -11.966
  311    HG1  THR  46           HG1      THR  46   6.615 -10.374 -10.898
  312   HG21  THR  46          HG21      THR  46   6.021  -9.974 -13.529
  313   HG22  THR  46          HG22      THR  46   5.691  -8.227 -13.504
  314   HG23  THR  46          HG23      THR  46   7.108  -8.865 -12.649
  315    H    THR  47           H        THR  47   5.583  -7.509  -8.224
  316    HA   THR  47           HA       THR  47   2.663  -7.838  -7.700
  317    HB   THR  47           HB       THR  47   4.935  -8.879  -5.961
  318    HG1  THR  47           HG1      THR  47   4.594 -10.115  -7.835
  319   HG21  THR  47          HG21      THR  47   3.063 -10.017  -4.752
  320   HG22  THR  47          HG22      THR  47   3.015  -8.251  -4.605
  321   HG23  THR  47          HG23      THR  47   1.907  -9.078  -5.730
  322    H    CYS  48           H        CYS  48   1.847  -6.623  -5.937
  323    HA   CYS  48           HA       CYS  48   3.516  -4.257  -5.218
  324    HB2  CYS  48           HB2      CYS  48   1.569  -3.671  -6.505
  325    HB3  CYS  48           HB3      CYS  48   0.535  -4.687  -5.503
  326    H    THR  49           H        THR  49   3.785  -3.692  -3.092
  327    HA   THR  49           HA       THR  49   2.331  -5.198  -0.997
  328    HB   THR  49           HB       THR  49   5.367  -5.003  -1.215
  329    HG1  THR  49           HG1      THR  49   4.446  -6.653  -2.448
  330   HG21  THR  49          HG21      THR  49   3.582  -6.151   0.980
  331   HG22  THR  49          HG22      THR  49   5.340  -6.403   0.849
  332   HG23  THR  49          HG23      THR  49   4.711  -4.774   1.131
  333    H    CYS  50           H        CYS  50   2.154  -4.063   0.972
  334    HA   CYS  50           HA       CYS  50   2.724  -1.163   0.707
  335    HB2  CYS  50           HB2      CYS  50   0.842  -2.618   2.586
  336    HB3  CYS  50           HB3      CYS  50   1.000  -0.871   2.396
  337    H    ILE  51           H        ILE  51   3.203   0.013   2.739
  338    HA   ILE  51           HA       ILE  51   5.243  -1.468   4.336
  339    HB   ILE  51           HB       ILE  51   5.048   1.458   3.550
  340   HG12  ILE  51          HG12      ILE  51   5.682   0.036   1.642
  341   HG13  ILE  51          HG13      ILE  51   7.027   1.054   2.177
  342   HG21  ILE  51          HG21      ILE  51   7.358   1.606   4.492
  343   HG22  ILE  51          HG22      ILE  51   6.095   1.317   5.700
  344   HG23  ILE  51          HG23      ILE  51   7.145  -0.025   5.176
  345   HD11  ILE  51          HD11      ILE  51   7.773  -1.213   1.638
  346   HD12  ILE  51          HD12      ILE  51   8.025  -0.880   3.360
  347   HD13  ILE  51          HD13      ILE  51   6.658  -1.901   2.836
  348    H    ASN  52           H        ASN  52   5.288  -1.223   6.558
  349    HA   ASN  52           HA       ASN  52   2.774  -0.649   7.806
  350    HB2  ASN  52           HB2      ASN  52   3.975  -1.264   9.870
  351    HB3  ASN  52           HB3      ASN  52   4.281  -2.424   8.575
  352   HD21  ASN  52          HD21      ASN  52   5.678   0.056  10.649
  353   HD22  ASN  52          HD22      ASN  52   7.342  -0.208  10.168
  354    HA   PRO  53           HA       PRO  53   2.261  -0.155  10.120
  355    HB2  PRO  53           HB2      PRO  53   0.512   1.599  11.201
  356    HB3  PRO  53           HB3      PRO  53   2.183   1.439  11.829
  357    HG2  PRO  53           HG2      PRO  53   1.139   3.477   9.824
  358    HG3  PRO  53           HG3      PRO  53   2.059   3.793  11.332
  359    HD2  PRO  53           HD2      PRO  53   3.287   3.616   8.902
  360    HD3  PRO  53           HD3      PRO  53   4.065   2.968  10.380
  361    H    CYS  54           H        CYS  54  -0.051  -0.683   9.932
  362    HA   CYS  54           HA       CYS  54  -1.406   0.438   7.552
  363    HB2  CYS  54           HB2      CYS  54  -0.769  -2.469   8.087
  364    HB3  CYS  54           HB3      CYS  54  -2.029  -1.957   6.969
  365    HA   PRO  55           HA       PRO  55  -4.147  -0.170  11.335
  366    HB2  PRO  55           HB2      PRO  55  -5.199   2.356  11.395
  367    HB3  PRO  55           HB3      PRO  55  -3.621   1.946  12.146
  368    HG2  PRO  55           HG2      PRO  55  -4.101   3.090   9.372
  369    HG3  PRO  55           HG3      PRO  55  -3.017   3.733  10.649
  370    HD2  PRO  55           HD2      PRO  55  -2.018   2.146   8.718
  371    HD3  PRO  55           HD3      PRO  55  -1.519   1.879  10.414
  372    H    ARG  56           H        ARG  56  -6.561   0.112  11.392
  373    HA   ARG  56           HA       ARG  56  -7.695  -0.677   8.825
  374    HB2  ARG  56           HB2      ARG  56  -8.967  -0.275  11.559
  375    HB3  ARG  56           HB3      ARG  56  -9.763  -0.981  10.139
  376    HG2  ARG  56           HG2      ARG  56  -7.983  -2.742  10.056
  377    HG3  ARG  56           HG3      ARG  56  -7.323  -2.096  11.581
  378    HD2  ARG  56           HD2      ARG  56  -9.518  -2.509  12.668
  379    HD3  ARG  56           HD3      ARG  56 -10.122  -3.193  11.140
  380    HE   ARG  56           HE       ARG  56  -7.727  -4.544  11.872
  381   HH11  ARG  56          HH11      ARG  56 -11.089  -4.241  12.900
  382   HH12  ARG  56          HH12      ARG  56 -11.140  -5.831  13.626
  383   HH21  ARG  56          HH21      ARG  56  -7.825  -6.633  12.794
  384   HH22  ARG  56          HH22      ARG  56  -9.300  -7.182  13.559
  385    H    CYS  57           H        CYS  57  -9.959   0.277   8.264
  386    HA   CYS  57           HA       CYS  57  -9.871   3.238   8.515
  387    HB2  CYS  57           HB2      CYS  57 -10.332   3.507   6.200
  388    HB3  CYS  57           HB3      CYS  57  -8.943   2.434   6.330
  Start of MODEL   14
    1    HA   PCA   1           HA       PCA   1 -17.765  -1.394   0.182
    2    HB2  PCA   1           HB2      PCA   1 -15.420  -2.790  -0.050
    3    HB3  PCA   1           HB3      PCA   1 -16.906  -3.290  -0.932
    4    HG2  PCA   1           HG2      PCA   1 -15.470  -3.030  -2.779
    5    HG3  PCA   1           HG3      PCA   1 -14.558  -1.694  -1.977
    6    H    ASN   2           H        ASN   2 -15.963   1.061  -1.190
    7    HA   ASN   2           HA       ASN   2 -14.460   2.588  -0.539
    8    HB2  ASN   2           HB2      ASN   2 -15.304   1.833   2.280
    9    HB3  ASN   2           HB3      ASN   2 -14.449   3.305   1.808
   10   HD21  ASN   2          HD21      ASN   2 -17.493   1.485   1.345
   11   HD22  ASN   2          HD22      ASN   2 -18.488   2.893   1.005
   12    H    CYS   3           H        CYS   3 -13.853  -0.597  -0.088
   13    HA   CYS   3           HA       CYS   3 -10.978  -0.046   0.044
   14    HB2  CYS   3           HB2      CYS   3 -10.601  -1.778   1.780
   15    HB3  CYS   3           HB3      CYS   3 -11.385  -0.314   2.373
   16    HA   PRO   4           HA       PRO   4 -12.337  -3.330  -2.927
   17    HB2  PRO   4           HB2      PRO   4 -11.187  -2.312  -5.163
   18    HB3  PRO   4           HB3      PRO   4 -12.722  -1.644  -4.507
   19    HG2  PRO   4           HG2      PRO   4  -9.906  -0.626  -4.038
   20    HG3  PRO   4           HG3      PRO   4 -11.329   0.314  -4.600
   21    HD2  PRO   4           HD2      PRO   4 -10.598   0.243  -1.979
   22    HD3  PRO   4           HD3      PRO   4 -12.333   0.227  -2.446
   23    H    THR   5           H        THR   5 -10.880  -4.656  -4.460
   24    HA   THR   5           HA       THR   5  -8.191  -4.975  -3.209
   25    HB   THR   5           HB       THR   5  -9.824  -7.043  -4.721
   26    HG1  THR   5           HG1      THR   5 -10.298  -7.836  -2.666
   27   HG21  THR   5          HG21      THR   5  -7.383  -7.465  -4.637
   28   HG22  THR   5          HG22      THR   5  -7.402  -7.242  -2.871
   29   HG23  THR   5          HG23      THR   5  -8.258  -8.618  -3.608
   30    H    ARG   6           H        ARG   6  -6.467  -4.521  -4.476
   31    HA   ARG   6           HA       ARG   6  -6.650  -4.973  -7.408
   32    HB2  ARG   6           HB2      ARG   6  -5.590  -2.452  -6.054
   33    HB3  ARG   6           HB3      ARG   6  -5.396  -2.843  -7.764
   34    HG2  ARG   6           HG2      ARG   6  -8.084  -2.464  -6.380
   35    HG3  ARG   6           HG3      ARG   6  -7.229  -1.227  -7.306
   36    HD2  ARG   6           HD2      ARG   6  -7.253  -2.738  -9.294
   37    HD3  ARG   6           HD3      ARG   6  -8.241  -3.891  -8.379
   38    HE   ARG   6           HE       ARG   6  -9.062  -1.238  -9.413
   39   HH11  ARG   6          HH11      ARG   6  -9.928  -4.113  -7.531
   40   HH12  ARG   6          HH12      ARG   6 -11.646  -3.804  -7.639
   41   HH21  ARG   6          HH21      ARG   6 -11.296  -0.858  -9.516
   42   HH22  ARG   6          HH22      ARG   6 -12.415  -1.962  -8.741
   43    H    ARG   7           H        ARG   7  -4.841  -5.919  -8.206
   44    HA   ARG   7           HA       ARG   7  -2.367  -6.011  -6.550
   45    HB2  ARG   7           HB2      ARG   7  -3.870  -8.404  -7.665
   46    HB3  ARG   7           HB3      ARG   7  -2.238  -8.457  -6.975
   47    HG2  ARG   7           HG2      ARG   7  -4.747  -7.606  -5.466
   48    HG3  ARG   7           HG3      ARG   7  -3.951  -9.183  -5.362
   49    HD2  ARG   7           HD2      ARG   7  -1.871  -8.064  -4.564
   50    HD3  ARG   7           HD3      ARG   7  -2.703  -6.504  -4.579
   51    HE   ARG   7           HE       ARG   7  -3.172  -8.793  -2.757
   52   HH11  ARG   7          HH11      ARG   7  -4.015  -5.464  -3.664
   53   HH12  ARG   7          HH12      ARG   7  -4.830  -5.143  -2.158
   54   HH21  ARG   7          HH21      ARG   7  -4.276  -8.340  -0.820
   55   HH22  ARG   7          HH22      ARG   7  -4.995  -6.769  -0.560
   56    H    GLY   8           H        GLY   8  -0.496  -6.809  -7.853
   57    HA2  GLY   8           HA2      GLY   8   0.761  -6.957  -9.768
   58    HA3  GLY   8           HA3      GLY   8  -0.732  -7.096 -10.712
   59    H    LEU   9           H        LEU   9  -0.561  -4.310  -8.639
   60    HA   LEU   9           HA       LEU   9  -0.886  -2.481 -10.770
   61    HB2  LEU   9           HB2      LEU   9  -0.008  -2.189  -7.875
   62    HB3  LEU   9           HB3      LEU   9  -0.374  -0.797  -8.911
   63    HG   LEU   9           HG       LEU   9  -2.359  -3.047  -8.368
   64   HD11  LEU   9          HD11      LEU   9  -2.154  -0.309  -7.060
   65   HD12  LEU   9          HD12      LEU   9  -3.415  -1.526  -6.770
   66   HD13  LEU   9          HD13      LEU   9  -1.749  -1.861  -6.273
   67   HD21  LEU   9          HD21      LEU   9  -2.661  -0.212  -9.447
   68   HD22  LEU   9          HD22      LEU   9  -2.790  -1.700 -10.418
   69   HD23  LEU   9          HD23      LEU   9  -3.993  -1.351  -9.159
   70    H    CYS  10           H        CYS  10   2.038  -3.854  -9.400
   71    HA   CYS  10           HA       CYS  10   3.807  -1.750 -10.307
   72    HB2  CYS  10           HB2      CYS  10   4.236  -4.600  -9.374
   73    HB3  CYS  10           HB3      CYS  10   5.558  -3.540  -9.858
   74    H    VAL  11           H        VAL  11   1.945  -3.812 -12.134
   75    HA   VAL  11           HA       VAL  11   4.001  -3.890 -14.296
   76    HB   VAL  11           HB       VAL  11   1.830  -5.945 -13.712
   77   HG11  VAL  11          HG11      VAL  11   3.029  -7.276 -15.450
   78   HG12  VAL  11          HG12      VAL  11   2.296  -5.809 -16.112
   79   HG13  VAL  11          HG13      VAL  11   4.049  -5.858 -15.798
   80   HG21  VAL  11          HG21      VAL  11   3.740  -7.440 -13.191
   81   HG22  VAL  11          HG22      VAL  11   4.859  -6.070 -13.392
   82   HG23  VAL  11          HG23      VAL  11   3.669  -6.071 -12.070
   83    H    THR  12           H        THR  12   0.730  -3.056 -13.300
   84    HA   THR  12           HA       THR  12  -0.105  -2.697 -16.118
   85    HB   THR  12           HB       THR  12  -2.341  -2.319 -15.138
   86    HG1  THR  12           HG1      THR  12  -2.567  -2.701 -12.906
   87   HG21  THR  12          HG21      THR  12  -2.710  -4.612 -14.346
   88   HG22  THR  12          HG22      THR  12  -1.598  -4.608 -15.731
   89   HG23  THR  12          HG23      THR  12  -0.964  -4.829 -14.084
   90    H    SER  13           H        SER  13   1.024  -0.813 -13.392
   91    HA   SER  13           HA       SER  13   0.652   1.651 -14.982
   92    HB2  SER  13           HB2      SER  13  -0.529   1.071 -12.246
   93    HB3  SER  13           HB3      SER  13  -0.184   2.717 -12.800
   94    HG   SER  13           HG       SER  13  -1.831   0.817 -14.131
   95    H    GLY  14           H        GLY  14   2.211  -0.145 -12.371
   96    HA2  GLY  14           HA2      GLY  14   4.583   0.188 -12.020
   97    HA3  GLY  14           HA3      GLY  14   4.365   1.921 -12.279
   98    H    LEU  15           H        LEU  15   5.682   1.526 -10.099
   99    HA   LEU  15           HA       LEU  15   4.343   0.668  -7.767
  100    HB2  LEU  15           HB2      LEU  15   6.762   0.883  -7.913
  101    HB3  LEU  15           HB3      LEU  15   6.633   2.624  -8.217
  102    HG   LEU  15           HG       LEU  15   5.740   2.997  -5.975
  103   HD11  LEU  15          HD11      LEU  15   5.712   1.171  -4.303
  104   HD12  LEU  15          HD12      LEU  15   4.562   0.840  -5.610
  105   HD13  LEU  15          HD13      LEU  15   6.127  -0.001  -5.585
  106   HD21  LEU  15          HD21      LEU  15   8.190   3.005  -6.324
  107   HD22  LEU  15          HD22      LEU  15   7.766   2.426  -4.700
  108   HD23  LEU  15          HD23      LEU  15   8.244   1.263  -5.959
  109    H    THR  16           H        THR  16   4.206   3.780  -9.470
  110    HA   THR  16           HA       THR  16   3.309   5.384  -7.312
  111    HB   THR  16           HB       THR  16   2.530   5.611 -10.239
  112    HG1  THR  16           HG1      THR  16   4.422   6.860 -10.372
  113   HG21  THR  16          HG21      THR  16   1.297   7.138  -8.764
  114   HG22  THR  16          HG22      THR  16   2.818   7.670  -8.012
  115   HG23  THR  16          HG23      THR  16   2.487   8.041  -9.725
  116    H    ALA  17           H        ALA  17   1.557   3.076  -9.415
  117    HA   ALA  17           HA       ALA  17  -1.050   4.005  -8.511
  118    HB1  ALA  17           HB1      ALA  17  -0.193   1.477  -9.972
  119    HB2  ALA  17           HB2      ALA  17  -1.865   2.054  -9.777
  120    HB3  ALA  17           HB3      ALA  17  -0.704   3.010 -10.729
  121    H    CYS  18           H        CYS  18   1.299   1.511  -7.506
  122    HA   CYS  18           HA       CYS  18  -0.627   0.259  -5.707
  123    HB2  CYS  18           HB2      CYS  18   1.286  -0.982  -6.704
  124    HB3  CYS  18           HB3      CYS  18   2.403   0.059  -5.804
  125    H    ARG  19           H        ARG  19   1.751   2.887  -5.543
  126    HA   ARG  19           HA       ARG  19   1.805   3.036  -2.666
  127    HB2  ARG  19           HB2      ARG  19   3.471   4.016  -4.318
  128    HB3  ARG  19           HB3      ARG  19   2.273   5.275  -4.676
  129    HG2  ARG  19           HG2      ARG  19   2.245   5.934  -2.284
  130    HG3  ARG  19           HG3      ARG  19   3.411   4.644  -1.916
  131    HD2  ARG  19           HD2      ARG  19   5.043   5.695  -3.457
  132    HD3  ARG  19           HD3      ARG  19   3.901   7.005  -3.779
  133    HE   ARG  19           HE       ARG  19   5.378   6.478  -1.253
  134   HH11  ARG  19          HH11      ARG  19   3.085   8.515  -3.023
  135   HH12  ARG  19          HH12      ARG  19   3.246   9.857  -1.914
  136   HH21  ARG  19          HH21      ARG  19   5.568   8.244   0.167
  137   HH22  ARG  19          HH22      ARG  19   4.643   9.700  -0.104
  138    H    ASN  20           H        ASN  20  -0.237   4.397  -5.231
  139    HA   ASN  20           HA       ASN  20  -1.776   6.086  -3.439
  140    HB2  ASN  20           HB2      ASN  20  -2.340   5.005  -6.236
  141    HB3  ASN  20           HB3      ASN  20  -3.320   6.218  -5.412
  142   HD21  ASN  20          HD21      ASN  20  -2.203   6.768  -7.878
  143   HD22  ASN  20          HD22      ASN  20  -0.929   7.959  -7.700
  144    H    HIS  21           H        HIS  21  -1.938   2.695  -4.502
  145    HA   HIS  21           HA       HIS  21  -4.611   2.276  -3.439
  146    HB2  HIS  21           HB2      HIS  21  -3.653   0.987  -5.316
  147    HB3  HIS  21           HB3      HIS  21  -2.408   0.348  -4.246
  148    HD1  HIS  21           HD1      HIS  21  -6.298   0.267  -4.449
  149    HD2  HIS  21           HD2      HIS  21  -2.973  -1.893  -3.058
  150    HE1  HIS  21           HE1      HIS  21  -7.189  -1.967  -3.589
  151    H    CYS  22           H        CYS  22  -1.258   1.826  -2.257
  152    HA   CYS  22           HA       CYS  22  -2.075   0.491   0.177
  153    HB2  CYS  22           HB2      CYS  22   0.469   1.843  -0.729
  154    HB3  CYS  22           HB3      CYS  22   0.305   1.101   0.860
  155    H    ARG  23           H        ARG  23  -1.607   3.909  -0.776
  156    HA   ARG  23           HA       ARG  23  -1.726   4.803   2.011
  157    HB2  ARG  23           HB2      ARG  23  -1.649   6.240  -0.663
  158    HB3  ARG  23           HB3      ARG  23  -1.839   7.086   0.885
  159    HG2  ARG  23           HG2      ARG  23   0.235   6.113   1.737
  160    HG3  ARG  23           HG3      ARG  23   0.451   5.169   0.253
  161    HD2  ARG  23           HD2      ARG  23   1.860   7.178   0.192
  162    HD3  ARG  23           HD3      ARG  23   0.620   7.240  -1.067
  163    HE   ARG  23           HE       ARG  23  -0.320   9.086  -0.048
  164   HH11  ARG  23          HH11      ARG  23   1.900   7.554   2.256
  165   HH12  ARG  23          HH12      ARG  23   1.801   8.878   3.392
  166   HH21  ARG  23          HH21      ARG  23  -0.438  10.768   1.466
  167   HH22  ARG  23          HH22      ARG  23   0.474  10.680   2.956
  168    H    SER  24           H        SER  24  -4.011   3.982  -0.440
  169    HA   SER  24           HA       SER  24  -6.198   5.295   1.083
  170    HB2  SER  24           HB2      SER  24  -6.107   5.516  -1.415
  171    HB3  SER  24           HB3      SER  24  -6.311   3.751  -1.526
  172    HG   SER  24           HG       SER  24  -8.303   4.896  -1.652
  173    H    CYS  25           H        CYS  25  -8.208   3.731   1.332
  174    HA   CYS  25           HA       CYS  25  -7.126   1.434   2.779
  175    HB2  CYS  25           HB2      CYS  25  -8.974   2.925   3.617
  176    HB3  CYS  25           HB3      CYS  25 -10.047   2.139   2.446
  177    H    HIS  26           H        HIS  26  -7.340  -0.711   2.321
  178    HA   HIS  26           HA       HIS  26  -8.664  -1.535  -0.189
  179    HB2  HIS  26           HB2      HIS  26  -6.493  -2.648  -0.856
  180    HB3  HIS  26           HB3      HIS  26  -6.460  -0.882  -0.939
  181    HD1  HIS  26           HD1      HIS  26  -4.689   0.343   0.558
  182    HD2  HIS  26           HD2      HIS  26  -5.210  -3.756   1.392
  183    HE1  HIS  26           HE1      HIS  26  -2.866  -0.297   2.258
  184    HE2  HIS  26           HE2      HIS  26  -3.210  -2.791   2.764
  185    H    ARG  27           H        ARG  27  -8.417  -3.983  -0.420
  186    HA   ARG  27           HA       ARG  27  -9.229  -5.177   2.084
  187    HB2  ARG  27           HB2      ARG  27 -10.157  -5.723  -0.188
  188    HB3  ARG  27           HB3      ARG  27  -8.626  -6.497  -0.591
  189    HG2  ARG  27           HG2      ARG  27 -10.368  -8.112   0.132
  190    HG3  ARG  27           HG3      ARG  27  -8.930  -8.170   1.160
  191    HD2  ARG  27           HD2      ARG  27 -10.038  -6.967   2.924
  192    HD3  ARG  27           HD3      ARG  27 -11.355  -6.473   1.853
  193    HE   ARG  27           HE       ARG  27 -12.442  -8.426   2.323
  194   HH11  ARG  27          HH11      ARG  27  -8.995  -8.996   3.010
  195   HH12  ARG  27          HH12      ARG  27  -9.298 -10.573   3.683
  196   HH21  ARG  27          HH21      ARG  27 -12.766 -10.479   3.209
  197   HH22  ARG  27          HH22      ARG  27 -11.407 -11.411   3.789
  198    H    GLY  28           H        GLY  28  -7.942  -5.974   3.604
  199    HA2  GLY  28           HA2      GLY  28  -5.109  -6.583   3.071
  200    HA3  GLY  28           HA3      GLY  28  -5.928  -6.521   4.635
  201    H    ASP  29           H        ASP  29  -4.788  -8.584   5.055
  202    HA   ASP  29           HA       ASP  29  -5.627 -10.921   3.501
  203    HB2  ASP  29           HB2      ASP  29  -3.325 -10.566   4.388
  204    HB3  ASP  29           HB3      ASP  29  -3.962 -10.668   6.030
  205    H    VAL  30           H        VAL  30  -6.777  -9.204   6.290
  206    HA   VAL  30           HA       VAL  30  -8.645 -11.440   6.878
  207    HB   VAL  30           HB       VAL  30  -6.709 -11.542   8.425
  208   HG11  VAL  30          HG11      VAL  30  -6.173  -9.121   8.518
  209   HG12  VAL  30          HG12      VAL  30  -7.695  -8.823   9.389
  210   HG13  VAL  30          HG13      VAL  30  -6.422  -9.805  10.139
  211   HG21  VAL  30          HG21      VAL  30  -9.263 -10.697   9.835
  212   HG22  VAL  30          HG22      VAL  30  -8.978 -12.298   9.106
  213   HG23  VAL  30          HG23      VAL  30  -7.971 -11.745  10.461
  214    H    GLY  31           H        GLY  31  -8.137  -8.101   6.308
  215    HA2  GLY  31           HA2      GLY  31 -10.901  -7.455   6.377
  216    HA3  GLY  31           HA3      GLY  31 -10.141  -6.868   7.869
  217    H    CYS  32           H        CYS  32 -11.089  -4.854   6.402
  218    HA   CYS  32           HA       CYS  32  -9.154  -4.022   4.381
  219    HB2  CYS  32           HB2      CYS  32 -11.622  -2.709   5.554
  220    HB3  CYS  32           HB3      CYS  32 -10.559  -1.939   4.367
  221    H    VAL  33           H        VAL  33  -7.599  -2.548   4.492
  222    HA   VAL  33           HA       VAL  33  -7.180  -0.947   6.932
  223    HB   VAL  33           HB       VAL  33  -4.827  -1.728   7.120
  224   HG11  VAL  33          HG11      VAL  33  -6.820  -4.009   7.417
  225   HG12  VAL  33          HG12      VAL  33  -5.261  -3.833   8.246
  226   HG13  VAL  33          HG13      VAL  33  -6.574  -2.687   8.583
  227   HG21  VAL  33          HG21      VAL  33  -4.136  -3.819   6.050
  228   HG22  VAL  33          HG22      VAL  33  -5.681  -3.923   5.178
  229   HG23  VAL  33          HG23      VAL  33  -4.544  -2.602   4.823
  230    H    ARG  34           H        ARG  34  -5.344   0.585   6.647
  231    HA   ARG  34           HA       ARG  34  -4.557   1.046   3.826
  232    HB2  ARG  34           HB2      ARG  34  -4.921   3.411   4.024
  233    HB3  ARG  34           HB3      ARG  34  -6.442   2.585   4.401
  234    HG2  ARG  34           HG2      ARG  34  -5.948   2.832   6.843
  235    HG3  ARG  34           HG3      ARG  34  -4.489   3.758   6.423
  236    HD2  ARG  34           HD2      ARG  34  -7.365   4.497   5.741
  237    HD3  ARG  34           HD3      ARG  34  -6.315   5.284   6.932
  238    HE   ARG  34           HE       ARG  34  -5.110   5.262   4.306
  239   HH11  ARG  34          HH11      ARG  34  -7.518   6.956   6.287
  240   HH12  ARG  34          HH12      ARG  34  -7.385   8.435   5.367
  241   HH21  ARG  34          HH21      ARG  34  -4.971   7.193   3.142
  242   HH22  ARG  34          HH22      ARG  34  -5.926   8.583   3.614
  243    H    CYS  35           H        CYS  35  -2.484   2.089   3.623
  244    HA   CYS  35           HA       CYS  35  -0.814   1.777   6.079
  245    HB2  CYS  35           HB2      CYS  35  -0.138   1.058   3.218
  246    HB3  CYS  35           HB3      CYS  35   0.898   0.814   4.622
  247    H    SER  36           H        SER  36   1.607   2.589   5.068
  248    HA   SER  36           HA       SER  36   1.062   5.494   4.735
  249    HB2  SER  36           HB2      SER  36   2.225   4.639   6.786
  250    HB3  SER  36           HB3      SER  36   3.551   4.082   5.752
  251    HG   SER  36           HG       SER  36   3.918   6.183   6.601
  252    H    ASN  37           H        ASN  37   2.981   2.804   3.360
  253    HA   ASN  37           HA       ASN  37   3.507   4.416   0.960
  254    HB2  ASN  37           HB2      ASN  37   5.312   4.916   2.706
  255    HB3  ASN  37           HB3      ASN  37   5.840   3.244   2.532
  256   HD21  ASN  37          HD21      ASN  37   7.885   4.436   1.920
  257   HD22  ASN  37          HD22      ASN  37   8.083   4.876   0.235
  258    H    ALA  38           H        ALA  38   5.208   2.806  -0.429
  259    HA   ALA  38           HA       ALA  38   4.433   0.002  -0.105
  260    HB1  ALA  38           HB1      ALA  38   2.511   1.083  -1.299
  261    HB2  ALA  38           HB2      ALA  38   3.636   1.600  -2.577
  262    HB3  ALA  38           HB3      ALA  38   3.344  -0.131  -2.298
  263    H    GLN  39           H        GLN  39   5.485  -1.403  -1.699
  264    HA   GLN  39           HA       GLN  39   7.456  -0.230  -3.515
  265    HB2  GLN  39           HB2      GLN  39   9.322  -1.528  -2.663
  266    HB3  GLN  39           HB3      GLN  39   8.719  -0.446  -1.394
  267    HG2  GLN  39           HG2      GLN  39   7.526  -2.280  -0.336
  268    HG3  GLN  39           HG3      GLN  39   7.971  -3.386  -1.660
  269   HE21  GLN  39          HE21      GLN  39   9.575  -1.153   0.709
  270   HE22  GLN  39          HE22      GLN  39  10.924  -2.224   1.025
  271    H    CYS  40           H        CYS  40   8.310  -1.898  -5.012
  272    HA   CYS  40           HA       CYS  40   6.254  -3.966  -5.493
  273    HB2  CYS  40           HB2      CYS  40   8.585  -2.998  -7.164
  274    HB3  CYS  40           HB3      CYS  40   7.403  -4.208  -7.677
  275    H    THR  41           H        THR  41   6.634  -6.155  -5.497
  276    HA   THR  41           HA       THR  41   9.317  -7.090  -4.594
  277    HB   THR  41           HB       THR  41   8.157  -8.651  -3.065
  278    HG1  THR  41           HG1      THR  41   5.973  -8.313  -2.666
  279   HG21  THR  41          HG21      THR  41   7.416  -5.734  -2.557
  280   HG22  THR  41          HG22      THR  41   7.583  -7.023  -1.341
  281   HG23  THR  41          HG23      THR  41   9.006  -6.459  -2.231
  282    H    GLY  42           H        GLY  42   9.191  -9.655  -4.584
  283    HA2  GLY  42           HA2      GLY  42   8.553 -11.622  -5.767
  284    HA3  GLY  42           HA3      GLY  42   7.858 -10.631  -7.057
  285    H    PHE  43           H        PHE  43   9.426 -12.583  -7.940
  286    HA   PHE  43           HA       PHE  43  12.243 -11.990  -7.962
  287    HB2  PHE  43           HB2      PHE  43  11.352 -14.258  -8.142
  288    HB3  PHE  43           HB3      PHE  43  10.478 -13.822  -9.609
  289    HD1  PHE  43           HD2      PHE  43  14.026 -13.597  -8.346
  290    HD2  PHE  43           HD1      PHE  43  11.377 -14.633 -11.572
  291    HE1  PHE  43           HE2      PHE  43  15.968 -14.283  -9.723
  292    HE2  PHE  43           HE1      PHE  43  13.323 -15.316 -12.952
  293    HZ   PHE  43           HZ       PHE  43  15.618 -15.131 -12.032
  294    H    LEU  44           H        LEU  44   9.555 -10.807  -9.815
  295    HA   LEU  44           HA       LEU  44  11.431  -9.491 -11.704
  296    HB2  LEU  44           HB2      LEU  44   8.864 -10.970 -12.402
  297    HB3  LEU  44           HB3      LEU  44   9.732  -9.905 -13.521
  298    HG   LEU  44           HG       LEU  44  10.931 -12.394 -12.236
  299   HD11  LEU  44          HD11      LEU  44   9.853 -11.919 -15.046
  300   HD12  LEU  44          HD12      LEU  44  10.690 -13.384 -14.477
  301   HD13  LEU  44          HD13      LEU  44   9.100 -12.937 -13.801
  302   HD21  LEU  44          HD21      LEU  44  12.629 -10.695 -12.897
  303   HD22  LEU  44          HD22      LEU  44  12.675 -12.087 -13.991
  304   HD23  LEU  44          HD23      LEU  44  11.882 -10.578 -14.501
  305    H    GLY  45           H        GLY  45   9.607  -8.826  -9.210
  306    HA2  GLY  45           HA2      GLY  45   8.630  -6.860  -8.530
  307    HA3  GLY  45           HA3      GLY  45   8.981  -6.162 -10.126
  308    H    THR  46           H        THR  46   7.222  -9.163 -10.141
  309    HA   THR  46           HA       THR  46   4.952  -7.855 -11.383
  310    HB   THR  46           HB       THR  46   4.145 -10.229 -11.630
  311    HG1  THR  46           HG1      THR  46   5.631 -11.827 -11.045
  312   HG21  THR  46          HG21      THR  46   7.013  -9.648 -12.504
  313   HG22  THR  46          HG22      THR  46   5.928 -10.868 -13.220
  314   HG23  THR  46          HG23      THR  46   5.536  -9.145 -13.354
  315    H    THR  47           H        THR  47   5.669  -7.989  -8.224
  316    HA   THR  47           HA       THR  47   2.807  -8.177  -7.419
  317    HB   THR  47           HB       THR  47   5.176  -9.333  -5.893
  318    HG1  THR  47           HG1      THR  47   4.606 -10.549  -7.725
  319   HG21  THR  47          HG21      THR  47   3.339 -10.418  -4.544
  320   HG22  THR  47          HG22      THR  47   3.450  -8.658  -4.339
  321   HG23  THR  47          HG23      THR  47   2.175  -9.359  -5.367
  322    H    CYS  48           H        CYS  48   2.397  -6.963  -5.353
  323    HA   CYS  48           HA       CYS  48   4.497  -4.922  -4.808
  324    HB2  CYS  48           HB2      CYS  48   2.652  -3.977  -6.251
  325    HB3  CYS  48           HB3      CYS  48   1.529  -4.356  -4.937
  326    H    THR  49           H        THR  49   4.346  -3.927  -2.706
  327    HA   THR  49           HA       THR  49   2.803  -5.405  -0.654
  328    HB   THR  49           HB       THR  49   5.826  -5.093  -0.804
  329    HG1  THR  49           HG1      THR  49   4.887  -6.901  -1.827
  330   HG21  THR  49          HG21      THR  49   5.836  -6.245   1.435
  331   HG22  THR  49          HG22      THR  49   5.162  -4.606   1.505
  332   HG23  THR  49          HG23      THR  49   4.074  -6.017   1.521
  333    H    CYS  50           H        CYS  50   2.116  -4.055   0.969
  334    HA   CYS  50           HA       CYS  50   2.793  -1.207   0.710
  335    HB2  CYS  50           HB2      CYS  50   0.872  -2.599   2.590
  336    HB3  CYS  50           HB3      CYS  50   1.022  -0.862   2.329
  337    H    ILE  51           H        ILE  51   3.339   0.075   2.646
  338    HA   ILE  51           HA       ILE  51   5.321  -1.390   4.319
  339    HB   ILE  51           HB       ILE  51   5.129   1.531   3.521
  340   HG12  ILE  51          HG12      ILE  51   5.746   0.122   1.604
  341   HG13  ILE  51          HG13      ILE  51   7.111   1.105   2.139
  342   HG21  ILE  51          HG21      ILE  51   7.237   0.020   5.107
  343   HG22  ILE  51          HG22      ILE  51   7.432   1.671   4.462
  344   HG23  ILE  51          HG23      ILE  51   6.184   1.340   5.676
  345   HD11  ILE  51          HD11      ILE  51   6.689  -1.842   2.781
  346   HD12  ILE  51          HD12      ILE  51   7.812  -1.171   1.586
  347   HD13  ILE  51          HD13      ILE  51   8.075  -0.855   3.314
  348    H    ASN  52           H        ASN  52   5.323  -1.198   6.520
  349    HA   ASN  52           HA       ASN  52   2.823  -0.644   7.779
  350    HB2  ASN  52           HB2      ASN  52   5.597  -1.096   8.940
  351    HB3  ASN  52           HB3      ASN  52   4.081  -1.194   9.851
  352   HD21  ASN  52          HD21      ASN  52   2.489  -2.861   9.206
  353   HD22  ASN  52          HD22      ASN  52   3.076  -4.347   8.486
  354    HA   PRO  53           HA       PRO  53   2.310  -0.140  10.088
  355    HB2  PRO  53           HB2      PRO  53   0.523   1.574  11.167
  356    HB3  PRO  53           HB3      PRO  53   2.207   1.473  11.788
  357    HG2  PRO  53           HG2      PRO  53   1.103   3.454   9.765
  358    HG3  PRO  53           HG3      PRO  53   2.013   3.814  11.267
  359    HD2  PRO  53           HD2      PRO  53   3.253   3.643   8.842
  360    HD3  PRO  53           HD3      PRO  53   4.039   3.029  10.329
  361    H    CYS  54           H        CYS  54  -0.010  -0.688   9.921
  362    HA   CYS  54           HA       CYS  54  -1.379   0.383   7.521
  363    HB2  CYS  54           HB2      CYS  54  -0.697  -2.506   8.114
  364    HB3  CYS  54           HB3      CYS  54  -1.968  -2.044   6.988
  365    HA   PRO  55           HA       PRO  55  -4.083  -0.201  11.319
  366    HB2  PRO  55           HB2      PRO  55  -5.128   2.326  11.406
  367    HB3  PRO  55           HB3      PRO  55  -3.536   1.916  12.125
  368    HG2  PRO  55           HG2      PRO  55  -4.079   3.065   9.363
  369    HG3  PRO  55           HG3      PRO  55  -2.958   3.704  10.616
  370    HD2  PRO  55           HD2      PRO  55  -2.013   2.125   8.654
  371    HD3  PRO  55           HD3      PRO  55  -1.468   1.869  10.338
  372    H    ARG  56           H        ARG  56  -6.470   0.021  11.422
  373    HA   ARG  56           HA       ARG  56  -7.694  -0.682   8.884
  374    HB2  ARG  56           HB2      ARG  56  -8.870  -0.266  11.653
  375    HB3  ARG  56           HB3      ARG  56  -9.743  -0.925  10.254
  376    HG2  ARG  56           HG2      ARG  56  -8.066  -2.766  10.095
  377    HG3  ARG  56           HG3      ARG  56  -7.269  -2.140  11.557
  378    HD2  ARG  56           HD2      ARG  56  -9.402  -2.440  12.804
  379    HD3  ARG  56           HD3      ARG  56 -10.136  -3.113  11.329
  380    HE   ARG  56           HE       ARG  56  -7.778  -4.581  11.861
  381   HH11  ARG  56          HH11      ARG  56 -10.955  -4.042  13.319
  382   HH12  ARG  56          HH12      ARG  56 -10.997  -5.613  14.086
  383   HH21  ARG  56          HH21      ARG  56  -7.868  -6.626  12.868
  384   HH22  ARG  56          HH22      ARG  56  -9.261  -7.072  13.824
  385    H    CYS  57           H        CYS  57  -9.850   0.350   8.266
  386    HA   CYS  57           HA       CYS  57  -9.675   3.311   8.538
  387    HB2  CYS  57           HB2      CYS  57 -10.109   3.568   6.224
  388    HB3  CYS  57           HB3      CYS  57  -8.790   2.409   6.364
  Start of MODEL   15
    1    HA   PCA   1           HA       PCA   1 -16.404  -2.290  -1.819
    2    HB2  PCA   1           HB2      PCA   1 -18.390  -0.003  -1.953
    3    HB3  PCA   1           HB3      PCA   1 -17.986  -1.212  -3.227
    4    HG2  PCA   1           HG2      PCA   1 -19.195  -2.914  -2.111
    5    HG3  PCA   1           HG3      PCA   1 -20.181  -1.500  -1.584
    6    H    ASN   2           H        ASN   2 -16.256  -0.104   0.770
    7    HA   ASN   2           HA       ASN   2 -14.860   2.058  -0.571
    8    HB2  ASN   2           HB2      ASN   2 -16.277   2.350   1.452
    9    HB3  ASN   2           HB3      ASN   2 -15.128   1.372   2.381
   10   HD21  ASN   2          HD21      ASN   2 -15.270   4.285   0.252
   11   HD22  ASN   2          HD22      ASN   2 -14.076   5.198   1.155
   12    H    CYS   3           H        CYS   3 -13.961  -1.068   0.008
   13    HA   CYS   3           HA       CYS   3 -11.096  -0.377  -0.065
   14    HB2  CYS   3           HB2      CYS   3 -10.675  -2.178   1.661
   15    HB3  CYS   3           HB3      CYS   3 -11.306  -0.644   2.253
   16    HA   PRO   4           HA       PRO   4 -12.213  -3.740  -3.004
   17    HB2  PRO   4           HB2      PRO   4 -10.931  -2.727  -5.175
   18    HB3  PRO   4           HB3      PRO   4 -12.519  -2.085  -4.639
   19    HG2  PRO   4           HG2      PRO   4  -9.763  -0.989  -4.022
   20    HG3  PRO   4           HG3      PRO   4 -11.191  -0.101  -4.657
   21    HD2  PRO   4           HD2      PRO   4 -10.567  -0.133  -2.000
   22    HD3  PRO   4           HD3      PRO   4 -12.271  -0.153  -2.561
   23    H    THR   5           H        THR   5 -10.605  -4.973  -4.494
   24    HA   THR   5           HA       THR   5  -7.944  -5.198  -3.139
   25    HB   THR   5           HB       THR   5  -9.515  -7.397  -4.526
   26    HG1  THR   5           HG1      THR   5  -9.923  -8.112  -2.438
   27   HG21  THR   5          HG21      THR   5  -7.886  -8.860  -3.344
   28   HG22  THR   5          HG22      THR   5  -7.082  -7.761  -4.490
   29   HG23  THR   5          HG23      THR   5  -7.036  -7.416  -2.743
   30    H    ARG   6           H        ARG   6  -6.156  -5.069  -4.451
   31    HA   ARG   6           HA       ARG   6  -6.492  -5.359  -7.387
   32    HB2  ARG   6           HB2      ARG   6  -5.194  -3.007  -5.954
   33    HB3  ARG   6           HB3      ARG   6  -5.069  -3.324  -7.688
   34    HG2  ARG   6           HG2      ARG   6  -7.699  -2.817  -6.226
   35    HG3  ARG   6           HG3      ARG   6  -6.768  -1.596  -7.105
   36    HD2  ARG   6           HD2      ARG   6  -6.928  -2.988  -9.171
   37    HD3  ARG   6           HD3      ARG   6  -7.964  -4.133  -8.307
   38    HE   ARG   6           HE       ARG   6  -8.637  -1.370  -9.158
   39   HH11  ARG   6          HH11      ARG   6  -9.661  -4.305  -7.460
   40   HH12  ARG   6          HH12      ARG   6 -11.361  -3.913  -7.586
   41   HH21  ARG   6          HH21      ARG   6 -10.847  -0.881  -9.268
   42   HH22  ARG   6          HH22      ARG   6 -12.030  -1.971  -8.583
   43    H    ARG   7           H        ARG   7  -4.670  -6.077  -8.441
   44    HA   ARG   7           HA       ARG   7  -2.154  -6.542  -6.937
   45    HB2  ARG   7           HB2      ARG   7  -3.787  -8.628  -8.431
   46    HB3  ARG   7           HB3      ARG   7  -2.110  -8.864  -7.933
   47    HG2  ARG   7           HG2      ARG   7  -4.371  -8.332  -5.954
   48    HG3  ARG   7           HG3      ARG   7  -3.854  -9.935  -6.484
   49    HD2  ARG   7           HD2      ARG   7  -2.712  -9.595  -4.459
   50    HD3  ARG   7           HD3      ARG   7  -1.497  -9.342  -5.718
   51    HE   ARG   7           HE       ARG   7  -2.848  -6.899  -4.862
   52   HH11  ARG   7          HH11      ARG   7  -0.173  -9.109  -4.153
   53   HH12  ARG   7          HH12      ARG   7   0.749  -7.883  -3.306
   54   HH21  ARG   7          HH21      ARG   7  -1.634  -5.356  -3.716
   55   HH22  ARG   7          HH22      ARG   7  -0.071  -5.790  -3.055
   56    H    GLY   8           H        GLY   8  -0.370  -7.063  -8.428
   57    HA2  GLY   8           HA2      GLY   8   0.808  -6.911 -10.402
   58    HA3  GLY   8           HA3      GLY   8  -0.728  -6.958 -11.277
   59    H    LEU   9           H        LEU   9  -0.531  -4.435  -8.897
   60    HA   LEU   9           HA       LEU   9  -0.949  -2.369 -10.776
   61    HB2  LEU   9           HB2      LEU   9   0.119  -2.345  -7.924
   62    HB3  LEU   9           HB3      LEU   9  -0.353  -0.888  -8.808
   63    HG   LEU   9           HG       LEU   9  -2.232  -3.234  -8.282
   64   HD11  LEU   9          HD11      LEU   9  -3.228  -1.784  -6.550
   65   HD12  LEU   9          HD12      LEU   9  -1.532  -2.158  -6.179
   66   HD13  LEU   9          HD13      LEU   9  -1.963  -0.566  -6.843
   67   HD21  LEU   9          HD21      LEU   9  -3.976  -1.545  -8.846
   68   HD22  LEU   9          HD22      LEU   9  -2.701  -0.369  -9.226
   69   HD23  LEU   9          HD23      LEU   9  -2.889  -1.839 -10.217
   70    H    CYS  10           H        CYS  10   2.059  -3.839  -9.685
   71    HA   CYS  10           HA       CYS  10   3.721  -1.594 -10.428
   72    HB2  CYS  10           HB2      CYS  10   4.243  -3.300  -8.672
   73    HB3  CYS  10           HB3      CYS  10   4.415  -4.504  -9.938
   74    H    VAL  11           H        VAL  11   1.952  -3.716 -12.330
   75    HA   VAL  11           HA       VAL  11   3.930  -3.527 -14.567
   76    HB   VAL  11           HB       VAL  11   1.896  -5.728 -14.015
   77   HG11  VAL  11          HG11      VAL  11   3.081  -6.918 -15.838
   78   HG12  VAL  11          HG12      VAL  11   2.321  -5.430 -16.421
   79   HG13  VAL  11          HG13      VAL  11   4.077  -5.471 -16.126
   80   HG21  VAL  11          HG21      VAL  11   3.778  -5.802 -12.421
   81   HG22  VAL  11          HG22      VAL  11   3.882  -7.133 -13.596
   82   HG23  VAL  11          HG23      VAL  11   4.936  -5.709 -13.770
   83    H    THR  12           H        THR  12   0.584  -3.089 -13.475
   84    HA   THR  12           HA       THR  12  -0.327  -2.610 -16.244
   85    HB   THR  12           HB       THR  12  -2.542  -2.359 -15.172
   86    HG1  THR  12           HG1      THR  12  -2.680  -2.827 -12.960
   87   HG21  THR  12          HG21      THR  12  -1.015  -4.844 -14.289
   88   HG22  THR  12          HG22      THR  12  -2.780  -4.704 -14.473
   89   HG23  THR  12          HG23      THR  12  -1.727  -4.583 -15.898
   90    H    SER  13           H        SER  13   0.774  -0.789 -13.477
   91    HA   SER  13           HA       SER  13   0.228   1.733 -14.952
   92    HB2  SER  13           HB2      SER  13  -0.700   0.983 -12.160
   93    HB3  SER  13           HB3      SER  13  -0.486   2.663 -12.674
   94    HG   SER  13           HG       SER  13  -2.636   1.894 -13.003
   95    H    GLY  14           H        GLY  14   2.075  -0.133 -12.609
   96    HA2  GLY  14           HA2      GLY  14   4.449   0.249 -12.425
   97    HA3  GLY  14           HA3      GLY  14   4.178   1.979 -12.640
   98    H    LEU  15           H        LEU  15   5.709   1.572 -10.592
   99    HA   LEU  15           HA       LEU  15   4.656   0.680  -8.145
  100    HB2  LEU  15           HB2      LEU  15   7.027   1.012  -8.549
  101    HB3  LEU  15           HB3      LEU  15   6.784   2.742  -8.839
  102    HG   LEU  15           HG       LEU  15   6.101   3.065  -6.504
  103   HD11  LEU  15          HD11      LEU  15   6.428   1.238  -4.856
  104   HD12  LEU  15          HD12      LEU  15   5.155   0.822  -6.012
  105   HD13  LEU  15          HD13      LEU  15   6.772   0.102  -6.179
  106   HD21  LEU  15          HD21      LEU  15   8.314   2.680  -5.491
  107   HD22  LEU  15          HD22      LEU  15   8.731   1.554  -6.809
  108   HD23  LEU  15          HD23      LEU  15   8.476   3.277  -7.153
  109    H    THR  16           H        THR  16   4.182   3.771  -9.824
  110    HA   THR  16           HA       THR  16   3.431   5.343  -7.590
  111    HB   THR  16           HB       THR  16   2.401   5.522 -10.449
  112    HG1  THR  16           HG1      THR  16   4.214   6.839 -10.745
  113   HG21  THR  16          HG21      THR  16   2.778   7.622  -8.266
  114   HG22  THR  16          HG22      THR  16   2.272   7.949  -9.942
  115   HG23  THR  16          HG23      THR  16   1.224   7.009  -8.866
  116    H    ALA  17           H        ALA  17   1.581   2.962  -9.518
  117    HA   ALA  17           HA       ALA  17  -0.950   3.787  -8.310
  118    HB1  ALA  17           HB1      ALA  17  -0.182   1.373  -9.993
  119    HB2  ALA  17           HB2      ALA  17  -1.841   1.849  -9.565
  120    HB3  ALA  17           HB3      ALA  17  -0.859   2.914 -10.590
  121    H    CYS  18           H        CYS  18   1.580   1.366  -7.719
  122    HA   CYS  18           HA       CYS  18   0.085  -0.156  -5.774
  123    HB2  CYS  18           HB2      CYS  18   2.025  -1.057  -6.925
  124    HB3  CYS  18           HB3      CYS  18   3.048   0.248  -6.318
  125    H    ARG  19           H        ARG  19   2.015   2.816  -5.725
  126    HA   ARG  19           HA       ARG  19   2.157   2.957  -2.828
  127    HB2  ARG  19           HB2      ARG  19   3.757   3.908  -4.627
  128    HB3  ARG  19           HB3      ARG  19   2.585   5.225  -4.796
  129    HG2  ARG  19           HG2      ARG  19   2.823   5.717  -2.359
  130    HG3  ARG  19           HG3      ARG  19   3.982   4.369  -2.219
  131    HD2  ARG  19           HD2      ARG  19   5.381   5.517  -3.985
  132    HD3  ARG  19           HD3      ARG  19   4.290   6.913  -3.855
  133    HE   ARG  19           HE       ARG  19   5.406   6.006  -1.307
  134   HH11  ARG  19          HH11      ARG  19   5.931   8.091  -4.120
  135   HH12  ARG  19          HH12      ARG  19   7.041   9.144  -3.275
  136   HH21  ARG  19          HH21      ARG  19   6.875   7.372  -0.248
  137   HH22  ARG  19          HH22      ARG  19   7.573   8.740  -1.088
  138    H    ASN  20           H        ASN  20   0.013   4.182  -5.360
  139    HA   ASN  20           HA       ASN  20  -1.456   5.931  -3.544
  140    HB2  ASN  20           HB2      ASN  20  -2.027   4.904  -6.348
  141    HB3  ASN  20           HB3      ASN  20  -3.034   6.074  -5.492
  142   HD21  ASN  20          HD21      ASN  20  -2.012   6.804  -7.905
  143   HD22  ASN  20          HD22      ASN  20  -0.754   8.006  -7.694
  144    H    HIS  21           H        HIS  21  -1.579   2.520  -4.426
  145    HA   HIS  21           HA       HIS  21  -4.335   2.179  -3.512
  146    HB2  HIS  21           HB2      HIS  21  -3.357   0.821  -5.313
  147    HB3  HIS  21           HB3      HIS  21  -2.132   0.202  -4.199
  148    HD1  HIS  21           HD1      HIS  21  -6.013   0.095  -4.537
  149    HD2  HIS  21           HD2      HIS  21  -2.742  -1.960  -2.881
  150    HE1  HIS  21           HE1      HIS  21  -6.931  -2.081  -3.574
  151    H    CYS  22           H        CYS  22  -1.047   1.769  -2.196
  152    HA   CYS  22           HA       CYS  22  -1.980   0.523   0.258
  153    HB2  CYS  22           HB2      CYS  22   0.617   1.846  -0.557
  154    HB3  CYS  22           HB3      CYS  22   0.367   1.074   1.010
  155    H    ARG  23           H        ARG  23  -1.660   3.836  -0.903
  156    HA   ARG  23           HA       ARG  23  -1.847   4.923   1.826
  157    HB2  ARG  23           HB2      ARG  23  -1.499   6.158  -0.921
  158    HB3  ARG  23           HB3      ARG  23  -1.849   7.132   0.519
  159    HG2  ARG  23           HG2      ARG  23   0.102   6.206   1.677
  160    HG3  ARG  23           HG3      ARG  23   0.506   5.214   0.257
  161    HD2  ARG  23           HD2      ARG  23   0.904   7.191  -1.082
  162    HD3  ARG  23           HD3      ARG  23   0.242   8.240   0.189
  163    HE   ARG  23           HE       ARG  23   2.340   6.890   1.409
  164   HH11  ARG  23          HH11      ARG  23   2.002   9.039  -1.379
  165   HH12  ARG  23          HH12      ARG  23   3.605   9.709  -1.199
  166   HH21  ARG  23          HH21      ARG  23   4.414   7.777   1.623
  167   HH22  ARG  23          HH22      ARG  23   4.970   8.995   0.497
  168    H    SER  24           H        SER  24  -4.029   3.476  -0.080
  169    HA   SER  24           HA       SER  24  -6.223   5.132   1.057
  170    HB2  SER  24           HB2      SER  24  -7.597   4.581  -0.888
  171    HB3  SER  24           HB3      SER  24  -6.117   5.419  -1.405
  172    HG   SER  24           HG       SER  24  -6.569   3.566  -2.675
  173    H    CYS  25           H        CYS  25  -8.280   3.727   1.325
  174    HA   CYS  25           HA       CYS  25  -7.429   1.429   2.852
  175    HB2  CYS  25           HB2      CYS  25 -10.247   2.300   2.119
  176    HB3  CYS  25           HB3      CYS  25  -9.778   1.169   3.393
  177    H    HIS  26           H        HIS  26  -7.382  -0.665   2.349
  178    HA   HIS  26           HA       HIS  26  -8.630  -1.633  -0.161
  179    HB2  HIS  26           HB2      HIS  26  -6.437  -2.707  -0.744
  180    HB3  HIS  26           HB3      HIS  26  -6.442  -0.943  -0.852
  181    HD1  HIS  26           HD1      HIS  26  -4.617   0.297   0.501
  182    HD2  HIS  26           HD2      HIS  26  -5.252  -3.701   1.674
  183    HE1  HIS  26           HE1      HIS  26  -2.823  -0.241   2.263
  184    HE2  HIS  26           HE2      HIS  26  -3.230  -2.677   2.968
  185    H    ARG  27           H        ARG  27  -8.287  -4.098  -0.275
  186    HA   ARG  27           HA       ARG  27  -9.337  -5.143   2.206
  187    HB2  ARG  27           HB2      ARG  27  -9.975  -5.751  -0.213
  188    HB3  ARG  27           HB3      ARG  27  -8.499  -6.713  -0.253
  189    HG2  ARG  27           HG2      ARG  27 -10.410  -8.124   0.315
  190    HG3  ARG  27           HG3      ARG  27  -9.302  -8.032   1.700
  191    HD2  ARG  27           HD2      ARG  27 -11.690  -7.819   2.370
  192    HD3  ARG  27           HD3      ARG  27 -10.744  -6.391   2.797
  193    HE   ARG  27           HE       ARG  27 -11.741  -5.182   0.963
  194   HH11  ARG  27          HH11      ARG  27 -13.259  -8.319   1.587
  195   HH12  ARG  27          HH12      ARG  27 -14.724  -7.889   0.735
  196   HH21  ARG  27          HH21      ARG  27 -13.616  -4.673  -0.125
  197   HH22  ARG  27          HH22      ARG  27 -14.934  -5.819  -0.224
  198    H    GLY  28           H        GLY  28  -8.412  -6.477   3.697
  199    HA2  GLY  28           HA2      GLY  28  -5.497  -7.069   3.416
  200    HA3  GLY  28           HA3      GLY  28  -6.313  -6.713   4.942
  201    H    ASP  29           H        ASP  29  -5.218  -8.834   5.501
  202    HA   ASP  29           HA       ASP  29  -6.331 -11.251   4.285
  203    HB2  ASP  29           HB2      ASP  29  -3.940 -10.982   4.937
  204    HB3  ASP  29           HB3      ASP  29  -4.435 -10.872   6.628
  205    H    VAL  30           H        VAL  30  -7.123  -9.198   6.953
  206    HA   VAL  30           HA       VAL  30  -9.026 -11.253   7.956
  207    HB   VAL  30           HB       VAL  30  -6.982 -11.176   9.370
  208   HG11  VAL  30          HG11      VAL  30  -7.869  -8.320   9.972
  209   HG12  VAL  30          HG12      VAL  30  -6.563  -9.210  10.791
  210   HG13  VAL  30          HG13      VAL  30  -6.408  -8.787   9.076
  211   HG21  VAL  30          HG21      VAL  30  -9.199 -11.790  10.312
  212   HG22  VAL  30          HG22      VAL  30  -8.117 -11.034  11.501
  213   HG23  VAL  30          HG23      VAL  30  -9.442 -10.088  10.793
  214    H    GLY  31           H        GLY  31  -8.495  -8.086   6.822
  215    HA2  GLY  31           HA2      GLY  31 -11.193  -7.319   6.861
  216    HA3  GLY  31           HA3      GLY  31 -10.437  -6.603   8.296
  217    H    CYS  32           H        CYS  32 -11.271  -4.702   6.651
  218    HA   CYS  32           HA       CYS  32  -9.276  -4.124   4.598
  219    HB2  CYS  32           HB2      CYS  32 -11.676  -2.587   5.614
  220    HB3  CYS  32           HB3      CYS  32 -10.577  -2.013   4.350
  221    H    VAL  33           H        VAL  33  -7.756  -2.555   4.570
  222    HA   VAL  33           HA       VAL  33  -7.177  -1.034   7.038
  223    HB   VAL  33           HB       VAL  33  -4.855  -1.855   7.092
  224   HG11  VAL  33          HG11      VAL  33  -6.810  -4.185   7.221
  225   HG12  VAL  33          HG12      VAL  33  -5.235  -4.060   8.031
  226   HG13  VAL  33          HG13      VAL  33  -6.565  -2.984   8.510
  227   HG21  VAL  33          HG21      VAL  33  -4.622  -2.511   4.725
  228   HG22  VAL  33          HG22      VAL  33  -4.188  -3.843   5.807
  229   HG23  VAL  33          HG23      VAL  33  -5.762  -3.859   4.983
  230    H    ARG  34           H        ARG  34  -5.280   0.418   6.708
  231    HA   ARG  34           HA       ARG  34  -4.672   1.105   3.891
  232    HB2  ARG  34           HB2      ARG  34  -5.007   3.504   4.391
  233    HB3  ARG  34           HB3      ARG  34  -6.517   2.589   4.552
  234    HG2  ARG  34           HG2      ARG  34  -6.204   2.495   7.011
  235    HG3  ARG  34           HG3      ARG  34  -4.720   3.459   6.855
  236    HD2  ARG  34           HD2      ARG  34  -5.997   5.310   5.876
  237    HD3  ARG  34           HD3      ARG  34  -7.483   4.338   5.936
  238    HE   ARG  34           HE       ARG  34  -6.359   4.462   8.543
  239   HH11  ARG  34          HH11      ARG  34  -7.972   6.528   6.172
  240   HH12  ARG  34          HH12      ARG  34  -8.671   7.574   7.390
  241   HH21  ARG  34          HH21      ARG  34  -7.291   5.826  10.101
  242   HH22  ARG  34          HH22      ARG  34  -8.285   7.182   9.612
  243    H    CYS  35           H        CYS  35  -2.586   2.210   3.702
  244    HA   CYS  35           HA       CYS  35  -0.896   1.878   6.143
  245    HB2  CYS  35           HB2      CYS  35  -0.180   1.160   3.297
  246    HB3  CYS  35           HB3      CYS  35   0.843   0.959   4.709
  247    H    SER  36           H        SER  36   1.492   2.732   5.257
  248    HA   SER  36           HA       SER  36   0.954   5.620   4.822
  249    HB2  SER  36           HB2      SER  36   3.198   4.074   6.159
  250    HB3  SER  36           HB3      SER  36   3.188   5.834   5.952
  251    HG   SER  36           HG       SER  36   1.245   4.279   7.326
  252    H    ASN  37           H        ASN  37   2.847   2.884   3.508
  253    HA   ASN  37           HA       ASN  37   3.533   4.520   1.177
  254    HB2  ASN  37           HB2      ASN  37   5.281   4.975   2.992
  255    HB3  ASN  37           HB3      ASN  37   5.775   3.291   2.839
  256   HD21  ASN  37          HD21      ASN  37   7.890   4.329   2.275
  257   HD22  ASN  37          HD22      ASN  37   8.151   4.801   0.609
  258    H    ALA  38           H        ALA  38   5.214   2.920  -0.204
  259    HA   ALA  38           HA       ALA  38   4.372   0.118   0.062
  260    HB1  ALA  38           HB1      ALA  38   3.732   1.735  -2.428
  261    HB2  ALA  38           HB2      ALA  38   3.330   0.027  -2.124
  262    HB3  ALA  38           HB3      ALA  38   2.531   1.303  -1.183
  263    H    GLN  39           H        GLN  39   5.301  -1.225  -1.702
  264    HA   GLN  39           HA       GLN  39   7.491  -0.111  -3.281
  265    HB2  GLN  39           HB2      GLN  39   9.128  -1.758  -2.478
  266    HB3  GLN  39           HB3      GLN  39   8.646  -0.653  -1.182
  267    HG2  GLN  39           HG2      GLN  39   7.163  -2.324  -0.224
  268    HG3  GLN  39           HG3      GLN  39   7.436  -3.417  -1.596
  269   HE21  GLN  39          HE21      GLN  39   9.359  -1.610   0.890
  270   HE22  GLN  39          HE22      GLN  39  10.502  -2.911   1.155
  271    H    CYS  40           H        CYS  40   8.359  -1.864  -4.768
  272    HA   CYS  40           HA       CYS  40   6.126  -3.693  -5.510
  273    HB2  CYS  40           HB2      CYS  40   6.543  -2.070  -7.193
  274    HB3  CYS  40           HB3      CYS  40   8.288  -2.347  -7.139
  275    H    THR  41           H        THR  41   6.480  -5.831  -5.824
  276    HA   THR  41           HA       THR  41   9.162  -6.949  -5.157
  277    HB   THR  41           HB       THR  41   8.066  -8.518  -3.598
  278    HG1  THR  41           HG1      THR  41   5.940  -8.059  -2.971
  279   HG21  THR  41          HG21      THR  41   7.474  -5.611  -2.898
  280   HG22  THR  41          HG22      THR  41   7.701  -6.957  -1.756
  281   HG23  THR  41          HG23      THR  41   9.064  -6.406  -2.742
  282    H    GLY  42           H        GLY  42   8.624  -9.571  -5.128
  283    HA2  GLY  42           HA2      GLY  42   7.587 -11.353  -6.342
  284    HA3  GLY  42           HA3      GLY  42   7.176 -10.235  -7.648
  285    H    PHE  43           H        PHE  43   8.306 -12.467  -8.491
  286    HA   PHE  43           HA       PHE  43  11.175 -12.545  -8.440
  287    HB2  PHE  43           HB2      PHE  43   9.918 -14.550  -8.802
  288    HB3  PHE  43           HB3      PHE  43   9.017 -13.824 -10.137
  289    HD1  PHE  43           HD2      PHE  43  12.471 -14.916  -9.153
  290    HD2  PHE  43           HD1      PHE  43   9.732 -14.040 -12.355
  291    HE1  PHE  43           HE2      PHE  43  14.124 -15.763 -10.807
  292    HE2  PHE  43           HE1      PHE  43  11.391 -14.876 -13.998
  293    HZ   PHE  43           HZ       PHE  43  13.582 -15.731 -13.228
  294    H    LEU  44           H        LEU  44   8.893 -10.680 -10.323
  295    HA   LEU  44           HA       LEU  44  11.134  -9.644 -11.914
  296    HB2  LEU  44           HB2      LEU  44   9.966 -11.622 -13.078
  297    HB3  LEU  44           HB3      LEU  44   8.573 -10.552 -13.272
  298    HG   LEU  44           HG       LEU  44  10.030  -8.974 -14.587
  299   HD11  LEU  44          HD11      LEU  44  12.119 -11.164 -14.194
  300   HD12  LEU  44          HD12      LEU  44  12.254  -9.818 -15.347
  301   HD13  LEU  44          HD13      LEU  44  12.229  -9.494 -13.606
  302   HD21  LEU  44          HD21      LEU  44   8.723 -10.748 -15.711
  303   HD22  LEU  44          HD22      LEU  44  10.249 -10.425 -16.561
  304   HD23  LEU  44          HD23      LEU  44  10.095 -11.867 -15.532
  305    H    GLY  45           H        GLY  45   9.339  -8.661  -9.701
  306    HA2  GLY  45           HA2      GLY  45   8.484  -6.597  -9.161
  307    HA3  GLY  45           HA3      GLY  45   8.831  -6.036 -10.809
  308    H    THR  46           H        THR  46   6.834  -8.881  -9.991
  309    HA   THR  46           HA       THR  46   4.581  -7.573 -11.403
  310    HB   THR  46           HB       THR  46   3.764  -9.898 -11.750
  311    HG1  THR  46           HG1      THR  46   4.723 -10.881  -9.969
  312   HG21  THR  46          HG21      THR  46   5.229  -8.827 -13.431
  313   HG22  THR  46          HG22      THR  46   6.663  -9.458 -12.586
  314   HG23  THR  46          HG23      THR  46   5.505 -10.579 -13.340
  315    H    THR  47           H        THR  47   5.392  -7.517  -8.342
  316    HA   THR  47           HA       THR  47   2.612  -8.024  -7.412
  317    HB   THR  47           HB       THR  47   5.138  -8.785  -5.908
  318    HG1  THR  47           HG1      THR  47   3.186 -10.384  -7.203
  319   HG21  THR  47          HG21      THR  47   2.187  -9.239  -5.312
  320   HG22  THR  47          HG22      THR  47   3.535  -9.988  -4.424
  321   HG23  THR  47          HG23      THR  47   3.325  -8.232  -4.374
  322    H    CYS  48           H        CYS  48   1.943  -6.767  -5.616
  323    HA   CYS  48           HA       CYS  48   3.565  -4.305  -5.140
  324    HB2  CYS  48           HB2      CYS  48   1.600  -3.770  -6.427
  325    HB3  CYS  48           HB3      CYS  48   0.581  -4.755  -5.379
  326    H    THR  49           H        THR  49   3.882  -3.675  -3.032
  327    HA   THR  49           HA       THR  49   2.568  -5.222  -0.863
  328    HB   THR  49           HB       THR  49   5.564  -4.859  -1.243
  329    HG1  THR  49           HG1      THR  49   4.674  -6.564  -2.413
  330   HG21  THR  49          HG21      THR  49   3.977  -6.083   1.057
  331   HG22  THR  49          HG22      THR  49   5.738  -6.227   0.839
  332   HG23  THR  49          HG23      THR  49   5.008  -4.636   1.134
  333    H    CYS  50           H        CYS  50   2.315  -4.068   1.050
  334    HA   CYS  50           HA       CYS  50   2.802  -1.153   0.787
  335    HB2  CYS  50           HB2      CYS  50   0.952  -2.661   2.654
  336    HB3  CYS  50           HB3      CYS  50   1.065  -0.909   2.465
  337    H    ILE  51           H        ILE  51   3.235   0.038   2.840
  338    HA   ILE  51           HA       ILE  51   5.301  -1.404   4.440
  339    HB   ILE  51           HB       ILE  51   5.071   1.520   3.668
  340   HG12  ILE  51          HG12      ILE  51   5.673   0.124   1.739
  341   HG13  ILE  51          HG13      ILE  51   7.022   1.147   2.249
  342   HG21  ILE  51          HG21      ILE  51   7.211   0.025   5.231
  343   HG22  ILE  51          HG22      ILE  51   7.401   1.666   4.572
  344   HG23  ILE  51          HG23      ILE  51   6.171   1.359   5.800
  345   HD11  ILE  51          HD11      ILE  51   6.697  -1.813   2.903
  346   HD12  ILE  51          HD12      ILE  51   7.765  -1.125   1.668
  347   HD13  ILE  51          HD13      ILE  51   8.073  -0.780   3.382
  348    H    ASN  52           H        ASN  52   5.373  -1.087   6.670
  349    HA   ASN  52           HA       ASN  52   2.825  -0.548   7.902
  350    HB2  ASN  52           HB2      ASN  52   4.007  -1.146   9.976
  351    HB3  ASN  52           HB3      ASN  52   4.352  -2.299   8.683
  352   HD21  ASN  52          HD21      ASN  52   5.672   0.248  10.753
  353   HD22  ASN  52          HD22      ASN  52   7.347   0.000  10.309
  354    HA   PRO  53           HA       PRO  53   2.312   0.011  10.233
  355    HB2  PRO  53           HB2      PRO  53   0.521   1.794  11.207
  356    HB3  PRO  53           HB3      PRO  53   2.174   1.648  11.888
  357    HG2  PRO  53           HG2      PRO  53   1.197   3.623   9.803
  358    HG3  PRO  53           HG3      PRO  53   2.090   3.983  11.322
  359    HD2  PRO  53           HD2      PRO  53   3.376   3.738   8.932
  360    HD3  PRO  53           HD3      PRO  53   4.104   3.109  10.440
  361    H    CYS  54           H        CYS  54   0.054  -0.607   9.992
  362    HA   CYS  54           HA       CYS  54  -1.330   0.464   7.595
  363    HB2  CYS  54           HB2      CYS  54  -0.637  -2.417   8.201
  364    HB3  CYS  54           HB3      CYS  54  -1.925  -1.960   7.084
  365    HA   PRO  55           HA       PRO  55  -3.988  -0.004  11.447
  366    HB2  PRO  55           HB2      PRO  55  -5.208   2.450  11.272
  367    HB3  PRO  55           HB3      PRO  55  -3.620   2.186  12.066
  368    HG2  PRO  55           HG2      PRO  55  -4.127   3.090   9.212
  369    HG3  PRO  55           HG3      PRO  55  -3.067   3.859  10.439
  370    HD2  PRO  55           HD2      PRO  55  -2.018   2.174   8.618
  371    HD3  PRO  55           HD3      PRO  55  -1.504   2.060  10.327
  372    H    ARG  56           H        ARG  56  -6.377   0.005  11.557
  373    HA   ARG  56           HA       ARG  56  -7.468  -1.171   9.143
  374    HB2  ARG  56           HB2      ARG  56  -8.717  -0.571  11.852
  375    HB3  ARG  56           HB3      ARG  56  -9.485  -1.506  10.557
  376    HG2  ARG  56           HG2      ARG  56  -7.579  -3.109  10.601
  377    HG3  ARG  56           HG3      ARG  56  -6.881  -2.226  11.972
  378    HD2  ARG  56           HD2      ARG  56  -9.624  -3.538  11.928
  379    HD3  ARG  56           HD3      ARG  56  -8.172  -4.220  12.680
  380    HE   ARG  56           HE       ARG  56  -8.540  -1.635  13.759
  381   HH11  ARG  56          HH11      ARG  56 -10.196  -4.755  13.749
  382   HH12  ARG  56          HH12      ARG  56 -10.932  -4.503  15.317
  383   HH21  ARG  56          HH21      ARG  56  -9.511  -1.331  15.800
  384   HH22  ARG  56          HH22      ARG  56 -10.538  -2.569  16.474
  385    H    CYS  57           H        CYS  57  -9.563  -0.589   8.230
  386    HA   CYS  57           HA       CYS  57 -10.373   2.236   8.455
  387    HB2  CYS  57           HB2      CYS  57  -8.645   2.235   6.731
  388    HB3  CYS  57           HB3      CYS  57  -9.434   0.899   5.890
  Start of MODEL   16
    1    HA   PCA   1           HA       PCA   1 -17.844  -1.188  -1.012
    2    HB2  PCA   1           HB2      PCA   1 -15.668  -2.398   0.139
    3    HB3  PCA   1           HB3      PCA   1 -17.079  -3.344  -0.440
    4    HG2  PCA   1           HG2      PCA   1 -15.407  -4.386  -1.731
    5    HG3  PCA   1           HG3      PCA   1 -14.438  -2.865  -1.843
    6    H    ASN   2           H        ASN   2 -16.434   0.006   0.633
    7    HA   ASN   2           HA       ASN   2 -15.068   2.196  -0.688
    8    HB2  ASN   2           HB2      ASN   2 -15.530   1.500   2.234
    9    HB3  ASN   2           HB3      ASN   2 -14.775   2.995   1.673
   10   HD21  ASN   2          HD21      ASN   2 -16.982   3.197   3.247
   11   HD22  ASN   2          HD22      ASN   2 -18.357   3.745   2.302
   12    H    CYS   3           H        CYS   3 -14.052  -0.864  -0.083
   13    HA   CYS   3           HA       CYS   3 -11.229  -0.061  -0.088
   14    HB2  CYS   3           HB2      CYS   3 -10.714  -1.708   1.724
   15    HB3  CYS   3           HB3      CYS   3 -11.527  -0.238   2.249
   16    HA   PRO   4           HA       PRO   4 -12.339  -3.551  -2.902
   17    HB2  PRO   4           HB2      PRO   4 -11.073  -2.638  -5.126
   18    HB3  PRO   4           HB3      PRO   4 -12.659  -1.983  -4.593
   19    HG2  PRO   4           HG2      PRO   4  -9.897  -0.842  -4.041
   20    HG3  PRO   4           HG3      PRO   4 -11.328   0.018  -4.705
   21    HD2  PRO   4           HD2      PRO   4 -10.710   0.104  -2.056
   22    HD3  PRO   4           HD3      PRO   4 -12.407   0.018  -2.607
   23    H    THR   5           H        THR   5 -10.814  -4.927  -4.299
   24    HA   THR   5           HA       THR   5  -8.144  -5.149  -2.974
   25    HB   THR   5           HB       THR   5  -9.739  -7.328  -4.363
   26    HG1  THR   5           HG1      THR   5 -10.796  -6.640  -2.497
   27   HG21  THR   5          HG21      THR   5  -7.303  -7.369  -2.534
   28   HG22  THR   5          HG22      THR   5  -8.166  -8.809  -3.117
   29   HG23  THR   5          HG23      THR   5  -7.323  -7.748  -4.269
   30    H    ARG   6           H        ARG   6  -6.333  -5.071  -4.298
   31    HA   ARG   6           HA       ARG   6  -6.708  -5.423  -7.214
   32    HB2  ARG   6           HB2      ARG   6  -5.345  -2.990  -5.995
   33    HB3  ARG   6           HB3      ARG   6  -5.420  -3.412  -7.713
   34    HG2  ARG   6           HG2      ARG   6  -7.948  -3.308  -7.560
   35    HG3  ARG   6           HG3      ARG   6  -7.771  -2.709  -5.903
   36    HD2  ARG   6           HD2      ARG   6  -8.061  -0.810  -7.356
   37    HD3  ARG   6           HD3      ARG   6  -6.382  -0.813  -6.778
   38    HE   ARG   6           HE       ARG   6  -6.559  -2.230  -9.260
   39   HH11  ARG   6          HH11      ARG   6  -6.730   1.060  -7.969
   40   HH12  ARG   6          HH12      ARG   6  -6.178   1.788  -9.464
   41   HH21  ARG   6          HH21      ARG   6  -5.847  -1.244 -11.187
   42   HH22  ARG   6          HH22      ARG   6  -5.681   0.493 -11.275
   43    H    ARG   7           H        ARG   7  -4.872  -6.085  -8.301
   44    HA   ARG   7           HA       ARG   7  -2.340  -6.519  -6.818
   45    HB2  ARG   7           HB2      ARG   7  -3.973  -8.638  -8.268
   46    HB3  ARG   7           HB3      ARG   7  -2.291  -8.854  -7.797
   47    HG2  ARG   7           HG2      ARG   7  -4.521  -8.299  -5.784
   48    HG3  ARG   7           HG3      ARG   7  -4.020  -9.908  -6.299
   49    HD2  ARG   7           HD2      ARG   7  -2.859  -9.532  -4.297
   50    HD3  ARG   7           HD3      ARG   7  -1.656  -9.317  -5.583
   51    HE   ARG   7           HE       ARG   7  -2.996  -6.864  -4.717
   52   HH11  ARG   7          HH11      ARG   7  -0.267  -9.033  -4.100
   53   HH12  ARG   7          HH12      ARG   7   0.681  -7.786  -3.316
   54   HH21  ARG   7          HH21      ARG   7  -1.733  -5.280  -3.668
   55   HH22  ARG   7          HH22      ARG   7  -0.141  -5.689  -3.073
   56    H    GLY   8           H        GLY   8  -0.575  -7.143  -8.345
   57    HA2  GLY   8           HA2      GLY   8   0.578  -7.007 -10.317
   58    HA3  GLY   8           HA3      GLY   8  -0.969  -6.990 -11.183
   59    H    LEU   9           H        LEU   9  -0.566  -4.498  -8.763
   60    HA   LEU   9           HA       LEU   9  -0.973  -2.415 -10.642
   61    HB2  LEU   9           HB2      LEU   9   0.205  -2.386  -7.831
   62    HB3  LEU   9           HB3      LEU   9  -0.349  -0.946  -8.706
   63    HG   LEU   9           HG       LEU   9  -2.130  -3.328  -8.025
   64   HD11  LEU   9          HD11      LEU   9  -1.923  -0.586  -6.720
   65   HD12  LEU   9          HD12      LEU   9  -3.105  -1.859  -6.320
   66   HD13  LEU   9          HD13      LEU   9  -1.379  -2.121  -6.000
   67   HD21  LEU   9          HD21      LEU   9  -2.906  -2.044  -9.991
   68   HD22  LEU   9          HD22      LEU   9  -3.952  -1.720  -8.591
   69   HD23  LEU   9          HD23      LEU   9  -2.729  -0.526  -9.080
   70    H    CYS  10           H        CYS  10   2.004  -3.953  -9.505
   71    HA   CYS  10           HA       CYS  10   3.717  -1.842 -10.556
   72    HB2  CYS  10           HB2      CYS  10   4.267  -4.599  -9.417
   73    HB3  CYS  10           HB3      CYS  10   5.523  -3.468  -9.927
   74    H    VAL  11           H        VAL  11   1.823  -3.911 -12.220
   75    HA   VAL  11           HA       VAL  11   3.908  -4.433 -14.295
   76    HB   VAL  11           HB       VAL  11   1.474  -6.129 -13.610
   77   HG11  VAL  11          HG11      VAL  11   2.078  -6.362 -15.973
   78   HG12  VAL  11          HG12      VAL  11   3.794  -6.580 -15.534
   79   HG13  VAL  11          HG13      VAL  11   2.587  -7.801 -15.083
   80   HG21  VAL  11          HG21      VAL  11   4.441  -6.571 -13.079
   81   HG22  VAL  11          HG22      VAL  11   3.189  -6.278 -11.846
   82   HG23  VAL  11          HG23      VAL  11   3.149  -7.765 -12.804
   83    H    THR  12           H        THR  12   0.904  -2.860 -13.558
   84    HA   THR  12           HA       THR  12   0.390  -2.547 -16.488
   85    HB   THR  12           HB       THR  12  -1.237  -4.009 -15.301
   86    HG1  THR  12           HG1      THR  12  -3.014  -2.927 -16.187
   87   HG21  THR  12          HG21      THR  12  -2.879  -3.005 -13.783
   88   HG22  THR  12          HG22      THR  12  -1.247  -2.855 -13.106
   89   HG23  THR  12          HG23      THR  12  -2.029  -1.443 -13.857
   90    H    SER  13           H        SER  13   0.941  -0.958 -13.454
   91    HA   SER  13           HA       SER  13   0.490   1.671 -14.782
   92    HB2  SER  13           HB2      SER  13  -0.545   0.690 -12.101
   93    HB3  SER  13           HB3      SER  13  -0.390   2.407 -12.514
   94    HG   SER  13           HG       SER  13  -2.478   1.581 -13.018
   95    H    GLY  14           H        GLY  14   2.338  -0.358 -12.625
   96    HA2  GLY  14           HA2      GLY  14   4.622   0.012 -12.144
   97    HA3  GLY  14           HA3      GLY  14   4.426   1.733 -12.470
   98    H    LEU  15           H        LEU  15   5.792   1.532 -10.365
   99    HA   LEU  15           HA       LEU  15   4.669   0.744  -7.909
  100    HB2  LEU  15           HB2      LEU  15   7.053   1.126  -8.245
  101    HB3  LEU  15           HB3      LEU  15   6.765   2.823  -8.650
  102    HG   LEU  15           HG       LEU  15   5.977   3.265  -6.355
  103   HD11  LEU  15          HD11      LEU  15   6.762   0.362  -5.824
  104   HD12  LEU  15          HD12      LEU  15   6.296   1.558  -4.592
  105   HD13  LEU  15          HD13      LEU  15   5.105   1.007  -5.786
  106   HD21  LEU  15          HD21      LEU  15   8.360   3.531  -6.930
  107   HD22  LEU  15          HD22      LEU  15   8.164   3.004  -5.243
  108   HD23  LEU  15          HD23      LEU  15   8.666   1.836  -6.487
  109    H    THR  16           H        THR  16   4.169   3.701  -9.792
  110    HA   THR  16           HA       THR  16   3.344   5.407  -7.680
  111    HB   THR  16           HB       THR  16   2.329   5.380 -10.545
  112    HG1  THR  16           HG1      THR  16   4.658   6.569  -9.455
  113   HG21  THR  16          HG21      THR  16   2.696   7.615  -8.497
  114   HG22  THR  16          HG22      THR  16   2.216   7.851 -10.193
  115   HG23  THR  16          HG23      THR  16   1.146   6.969  -9.090
  116    H    ALA  17           H        ALA  17   1.545   2.893  -9.504
  117    HA   ALA  17           HA       ALA  17  -0.984   3.739  -8.296
  118    HB1  ALA  17           HB1      ALA  17  -0.951   2.830 -10.553
  119    HB2  ALA  17           HB2      ALA  17  -0.223   1.316  -9.958
  120    HB3  ALA  17           HB3      ALA  17  -1.883   1.759  -9.481
  121    H    CYS  18           H        CYS  18   1.584   1.386  -7.652
  122    HA   CYS  18           HA       CYS  18   0.087  -0.146  -5.715
  123    HB2  CYS  18           HB2      CYS  18   2.048  -1.021  -6.866
  124    HB3  CYS  18           HB3      CYS  18   3.055   0.271  -6.209
  125    H    ARG  19           H        ARG  19   1.967   2.857  -5.680
  126    HA   ARG  19           HA       ARG  19   2.084   3.031  -2.779
  127    HB2  ARG  19           HB2      ARG  19   3.691   3.977  -4.566
  128    HB3  ARG  19           HB3      ARG  19   2.500   5.272  -4.786
  129    HG2  ARG  19           HG2      ARG  19   2.700   5.834  -2.358
  130    HG3  ARG  19           HG3      ARG  19   3.879   4.513  -2.172
  131    HD2  ARG  19           HD2      ARG  19   5.275   5.623  -3.962
  132    HD3  ARG  19           HD3      ARG  19   4.174   7.011  -3.874
  133    HE   ARG  19           HE       ARG  19   5.352   6.138  -1.327
  134   HH11  ARG  19          HH11      ARG  19   5.652   8.310  -4.100
  135   HH12  ARG  19          HH12      ARG  19   6.710   9.421  -3.262
  136   HH21  ARG  19          HH21      ARG  19   6.755   7.587  -0.271
  137   HH22  ARG  19          HH22      ARG  19   7.323   9.019  -1.101
  138    H    ASN  20           H        ASN  20  -0.029   4.240  -5.364
  139    HA   ASN  20           HA       ASN  20  -1.533   5.989  -3.594
  140    HB2  ASN  20           HB2      ASN  20  -2.066   4.909  -6.384
  141    HB3  ASN  20           HB3      ASN  20  -3.076   6.104  -5.578
  142   HD21  ASN  20          HD21      ASN  20  -2.024   6.787  -7.986
  143   HD22  ASN  20          HD22      ASN  20  -0.739   7.959  -7.792
  144    H    HIS  21           H        HIS  21  -1.629   2.568  -4.406
  145    HA   HIS  21           HA       HIS  21  -4.401   2.242  -3.515
  146    HB2  HIS  21           HB2      HIS  21  -3.413   0.886  -5.324
  147    HB3  HIS  21           HB3      HIS  21  -2.211   0.251  -4.196
  148    HD1  HIS  21           HD1      HIS  21  -6.087   0.178  -4.578
  149    HD2  HIS  21           HD2      HIS  21  -2.845  -1.909  -2.908
  150    HE1  HIS  21           HE1      HIS  21  -7.020  -2.022  -3.672
  151    H    CYS  22           H        CYS  22  -1.113   1.810  -2.194
  152    HA   CYS  22           HA       CYS  22  -2.079   0.569   0.249
  153    HB2  CYS  22           HB2      CYS  22   0.537   1.843  -0.570
  154    HB3  CYS  22           HB3      CYS  22   0.286   1.099   1.010
  155    H    ARG  23           H        ARG  23  -1.726   3.871  -0.906
  156    HA   ARG  23           HA       ARG  23  -1.888   4.974   1.822
  157    HB2  ARG  23           HB2      ARG  23  -1.534   6.202  -0.923
  158    HB3  ARG  23           HB3      ARG  23  -1.880   7.180   0.517
  159    HG2  ARG  23           HG2      ARG  23   0.055   6.234   1.687
  160    HG3  ARG  23           HG3      ARG  23   0.470   5.262   0.259
  161    HD2  ARG  23           HD2      ARG  23   0.886   7.246  -1.063
  162    HD3  ARG  23           HD3      ARG  23   0.201   8.289   0.205
  163    HE   ARG  23           HE       ARG  23   2.308   6.879   1.398
  164   HH11  ARG  23          HH11      ARG  23   1.906   9.206  -1.233
  165   HH12  ARG  23          HH12      ARG  23   3.480   9.927  -0.996
  166   HH21  ARG  23          HH21      ARG  23   4.342   7.838   1.696
  167   HH22  ARG  23          HH22      ARG  23   4.865   9.147   0.661
  168    H    SER  24           H        SER  24  -4.091   3.538  -0.073
  169    HA   SER  24           HA       SER  24  -6.271   5.200   1.084
  170    HB2  SER  24           HB2      SER  24  -7.659   4.673  -0.849
  171    HB3  SER  24           HB3      SER  24  -6.190   5.524  -1.367
  172    HG   SER  24           HG       SER  24  -6.631   3.699  -2.659
  173    H    CYS  25           H        CYS  25  -8.312   3.813   1.393
  174    HA   CYS  25           HA       CYS  25  -7.457   1.478   2.857
  175    HB2  CYS  25           HB2      CYS  25 -10.273   2.401   2.203
  176    HB3  CYS  25           HB3      CYS  25  -9.793   1.217   3.425
  177    H    HIS  26           H        HIS  26  -7.392  -0.602   2.281
  178    HA   HIS  26           HA       HIS  26  -8.774  -1.529  -0.170
  179    HB2  HIS  26           HB2      HIS  26  -6.615  -2.616  -0.857
  180    HB3  HIS  26           HB3      HIS  26  -6.577  -0.849  -0.936
  181    HD1  HIS  26           HD1      HIS  26  -4.827   0.383   0.594
  182    HD2  HIS  26           HD2      HIS  26  -5.253  -3.754   1.295
  183    HE1  HIS  26           HE1      HIS  26  -2.982  -0.274   2.260
  184    HE2  HIS  26           HE2      HIS  26  -3.262  -2.789   2.676
  185    H    ARG  27           H        ARG  27  -8.579  -3.995  -0.291
  186    HA   ARG  27           HA       ARG  27  -9.324  -5.010   2.328
  187    HB2  ARG  27           HB2      ARG  27 -10.162  -5.531  -0.169
  188    HB3  ARG  27           HB3      ARG  27  -8.972  -6.833  -0.011
  189    HG2  ARG  27           HG2      ARG  27 -11.326  -6.264   1.850
  190    HG3  ARG  27           HG3      ARG  27 -11.237  -7.567   0.661
  191    HD2  ARG  27           HD2      ARG  27  -9.290  -8.525   1.892
  192    HD3  ARG  27           HD3      ARG  27  -9.472  -7.245   3.117
  193    HE   ARG  27           HE       ARG  27 -11.964  -8.347   3.056
  194   HH11  ARG  27          HH11      ARG  27  -8.743  -9.758   3.381
  195   HH12  ARG  27          HH12      ARG  27  -9.301 -11.110   4.341
  196   HH21  ARG  27          HH21      ARG  27 -12.663 -10.110   4.330
  197   HH22  ARG  27          HH22      ARG  27 -11.506 -11.294   4.882
  198    H    GLY  28           H        GLY  28  -7.990  -5.891   3.787
  199    HA2  GLY  28           HA2      GLY  28  -5.223  -6.604   3.080
  200    HA3  GLY  28           HA3      GLY  28  -5.928  -6.476   4.690
  201    H    ASP  29           H        ASP  29  -4.848  -8.558   5.119
  202    HA   ASP  29           HA       ASP  29  -5.827 -10.910   3.672
  203    HB2  ASP  29           HB2      ASP  29  -3.942 -10.569   6.028
  204    HB3  ASP  29           HB3      ASP  29  -4.287 -12.100   5.218
  205    H    VAL  30           H        VAL  30  -6.853  -9.107   6.428
  206    HA   VAL  30           HA       VAL  30  -8.649 -11.350   7.193
  207    HB   VAL  30           HB       VAL  30  -6.664 -11.292   8.683
  208   HG11  VAL  30          HG11      VAL  30  -7.712  -8.549   9.488
  209   HG12  VAL  30          HG12      VAL  30  -6.385  -9.430  10.276
  210   HG13  VAL  30          HG13      VAL  30  -6.203  -8.860   8.604
  211   HG21  VAL  30          HG21      VAL  30  -8.880 -12.076   9.503
  212   HG22  VAL  30          HG22      VAL  30  -7.858 -11.369  10.784
  213   HG23  VAL  30          HG23      VAL  30  -9.204 -10.431  10.113
  214    H    GLY  31           H        GLY  31  -8.240  -8.052   6.392
  215    HA2  GLY  31           HA2      GLY  31 -10.987  -7.442   6.383
  216    HA3  GLY  31           HA3      GLY  31 -10.307  -6.806   7.897
  217    H    CYS  32           H        CYS  32 -11.200  -4.838   6.323
  218    HA   CYS  32           HA       CYS  32  -9.210  -4.058   4.351
  219    HB2  CYS  32           HB2      CYS  32 -11.626  -2.640   5.492
  220    HB3  CYS  32           HB3      CYS  32 -10.533  -1.931   4.300
  221    H    VAL  33           H        VAL  33  -7.655  -2.548   4.429
  222    HA   VAL  33           HA       VAL  33  -7.128  -1.107   6.951
  223    HB   VAL  33           HB       VAL  33  -4.806  -1.904   7.002
  224   HG11  VAL  33          HG11      VAL  33  -6.734  -4.257   7.007
  225   HG12  VAL  33          HG12      VAL  33  -5.176  -4.149   7.854
  226   HG13  VAL  33          HG13      VAL  33  -6.522  -3.102   8.350
  227   HG21  VAL  33          HG21      VAL  33  -5.654  -3.838   4.806
  228   HG22  VAL  33          HG22      VAL  33  -4.537  -2.461   4.618
  229   HG23  VAL  33          HG23      VAL  33  -4.094  -3.833   5.649
  230    H    ARG  34           H        ARG  34  -5.230   0.372   6.692
  231    HA   ARG  34           HA       ARG  34  -4.627   1.164   3.901
  232    HB2  ARG  34           HB2      ARG  34  -4.941   3.546   4.512
  233    HB3  ARG  34           HB3      ARG  34  -6.455   2.635   4.611
  234    HG2  ARG  34           HG2      ARG  34  -6.169   2.417   7.065
  235    HG3  ARG  34           HG3      ARG  34  -4.665   3.373   6.968
  236    HD2  ARG  34           HD2      ARG  34  -5.920   5.286   6.084
  237    HD3  ARG  34           HD3      ARG  34  -7.416   4.328   6.095
  238    HE   ARG  34           HE       ARG  34  -6.326   4.288   8.713
  239   HH11  ARG  34          HH11      ARG  34  -7.818   6.561   6.449
  240   HH12  ARG  34          HH12      ARG  34  -8.485   7.564   7.712
  241   HH21  ARG  34          HH21      ARG  34  -7.197   5.629  10.344
  242   HH22  ARG  34          HH22      ARG  34  -8.131   7.040   9.906
  243    H    CYS  35           H        CYS  35  -2.539   2.285   3.748
  244    HA   CYS  35           HA       CYS  35  -0.830   1.836   6.159
  245    HB2  CYS  35           HB2      CYS  35  -0.183   1.139   3.290
  246    HB3  CYS  35           HB3      CYS  35   0.868   0.896   4.677
  247    H    SER  36           H        SER  36   1.574   2.627   5.223
  248    HA   SER  36           HA       SER  36   1.099   5.548   4.928
  249    HB2  SER  36           HB2      SER  36   2.246   4.615   6.958
  250    HB3  SER  36           HB3      SER  36   3.555   4.039   5.909
  251    HG   SER  36           HG       SER  36   3.982   6.114   6.809
  252    H    ASN  37           H        ASN  37   2.955   2.846   3.502
  253    HA   ASN  37           HA       ASN  37   3.493   4.476   1.116
  254    HB2  ASN  37           HB2      ASN  37   5.310   4.949   2.860
  255    HB3  ASN  37           HB3      ASN  37   5.819   3.267   2.673
  256   HD21  ASN  37          HD21      ASN  37   7.890   4.378   2.041
  257   HD22  ASN  37          HD22      ASN  37   8.077   4.837   0.362
  258    H    ALA  38           H        ALA  38   5.161   2.875  -0.305
  259    HA   ALA  38           HA       ALA  38   4.356   0.071  -0.007
  260    HB1  ALA  38           HB1      ALA  38   3.256  -0.037  -2.168
  261    HB2  ALA  38           HB2      ALA  38   2.461   1.230  -1.202
  262    HB3  ALA  38           HB3      ALA  38   3.620   1.672  -2.484
  263    H    GLN  39           H        GLN  39   5.276  -1.279  -1.754
  264    HA   GLN  39           HA       GLN  39   7.321  -0.139  -3.492
  265    HB2  GLN  39           HB2      GLN  39   9.138  -1.552  -2.680
  266    HB3  GLN  39           HB3      GLN  39   8.596  -0.456  -1.399
  267    HG2  GLN  39           HG2      GLN  39   7.323  -2.249  -0.343
  268    HG3  GLN  39           HG3      GLN  39   7.692  -3.351  -1.683
  269   HE21  GLN  39          HE21      GLN  39   9.418  -1.243   0.697
  270   HE22  GLN  39          HE22      GLN  39  10.722  -2.381   0.983
  271    H    CYS  40           H        CYS  40   8.184  -1.838  -4.982
  272    HA   CYS  40           HA       CYS  40   6.084  -3.850  -5.529
  273    HB2  CYS  40           HB2      CYS  40   8.432  -2.877  -7.174
  274    HB3  CYS  40           HB3      CYS  40   7.262  -4.096  -7.696
  275    H    THR  41           H        THR  41   6.498  -6.063  -5.613
  276    HA   THR  41           HA       THR  41   9.133  -7.005  -4.610
  277    HB   THR  41           HB       THR  41   7.944  -8.467  -3.004
  278    HG1  THR  41           HG1      THR  41   5.763  -8.032  -2.612
  279   HG21  THR  41          HG21      THR  41   7.394  -6.759  -1.351
  280   HG22  THR  41          HG22      THR  41   8.806  -6.221  -2.284
  281   HG23  THR  41          HG23      THR  41   7.198  -5.534  -2.622
  282    H    GLY  42           H        GLY  42   8.876  -9.592  -4.449
  283    HA2  GLY  42           HA2      GLY  42   8.488 -11.591  -5.538
  284    HA3  GLY  42           HA3      GLY  42   7.253 -10.796  -6.526
  285    H    PHE  43           H        PHE  43   8.502 -12.445  -8.016
  286    HA   PHE  43           HA       PHE  43  11.082 -11.763  -8.992
  287    HB2  PHE  43           HB2      PHE  43   9.973 -13.940  -9.311
  288    HB3  PHE  43           HB3      PHE  43   8.771 -13.188 -10.359
  289    HD1  PHE  43           HD2      PHE  43  12.545 -13.270 -10.089
  290    HD2  PHE  43           HD1      PHE  43   9.081 -13.563 -12.631
  291    HE1  PHE  43           HE2      PHE  43  14.004 -13.688 -12.041
  292    HE2  PHE  43           HE1      PHE  43  10.551 -14.001 -14.575
  293    HZ   PHE  43           HZ       PHE  43  13.018 -14.053 -14.281
  294    H    LEU  44           H        LEU  44  11.788 -10.347 -10.488
  295    HA   LEU  44           HA       LEU  44  11.830  -8.404 -11.635
  296    HB2  LEU  44           HB2      LEU  44   9.450  -9.662 -13.028
  297    HB3  LEU  44           HB3      LEU  44  10.432  -8.339 -13.670
  298    HG   LEU  44           HG       LEU  44  11.453 -11.128 -13.016
  299   HD11  LEU  44          HD11      LEU  44  10.915  -9.749 -15.675
  300   HD12  LEU  44          HD12      LEU  44  11.635 -11.362 -15.469
  301   HD13  LEU  44          HD13      LEU  44   9.949 -11.067 -14.973
  302   HD21  LEU  44          HD21      LEU  44  13.238  -9.435 -12.772
  303   HD22  LEU  44          HD22      LEU  44  13.491 -10.393 -14.242
  304   HD23  LEU  44          HD23      LEU  44  12.819  -8.752 -14.363
  305    H    GLY  45           H        GLY  45   9.990  -8.452  -9.166
  306    HA2  GLY  45           HA2      GLY  45   8.874  -6.794  -8.050
  307    HA3  GLY  45           HA3      GLY  45   9.215  -5.696  -9.399
  308    H    THR  46           H        THR  46   7.517  -8.722 -10.012
  309    HA   THR  46           HA       THR  46   5.358  -7.215 -11.194
  310    HB   THR  46           HB       THR  46   4.458  -9.472 -11.792
  311    HG1  THR  46           HG1      THR  46   6.846 -10.429 -10.613
  312   HG21  THR  46          HG21      THR  46   6.029  -8.324 -13.286
  313   HG22  THR  46          HG22      THR  46   7.407  -8.992 -12.384
  314   HG23  THR  46          HG23      THR  46   6.328 -10.074 -13.301
  315    H    THR  47           H        THR  47   5.754  -7.599  -8.022
  316    HA   THR  47           HA       THR  47   2.830  -7.975  -7.553
  317    HB   THR  47           HB       THR  47   5.089  -8.891  -5.735
  318    HG1  THR  47           HG1      THR  47   4.838 -10.143  -7.628
  319   HG21  THR  47          HG21      THR  47   2.065  -9.228  -5.604
  320   HG22  THR  47          HG22      THR  47   3.229 -10.097  -4.579
  321   HG23  THR  47          HG23      THR  47   3.091  -8.332  -4.450
  322    H    CYS  48           H        CYS  48   1.972  -6.755  -5.736
  323    HA   CYS  48           HA       CYS  48   3.579  -4.316  -5.114
  324    HB2  CYS  48           HB2      CYS  48   1.675  -3.753  -6.447
  325    HB3  CYS  48           HB3      CYS  48   0.612  -4.772  -5.465
  326    H    THR  49           H        THR  49   3.835  -3.704  -3.004
  327    HA   THR  49           HA       THR  49   2.396  -5.201  -0.880
  328    HB   THR  49           HB       THR  49   5.419  -4.967  -1.136
  329    HG1  THR  49           HG1      THR  49   4.478  -6.656  -2.317
  330   HG21  THR  49          HG21      THR  49   3.686  -6.097   1.103
  331   HG22  THR  49          HG22      THR  49   5.451  -6.309   0.971
  332   HG23  THR  49          HG23      THR  49   4.769  -4.689   1.217
  333    H    CYS  50           H        CYS  50   2.167  -4.049   1.054
  334    HA   CYS  50           HA       CYS  50   2.722  -1.152   0.782
  335    HB2  CYS  50           HB2      CYS  50   0.878  -2.603   2.696
  336    HB3  CYS  50           HB3      CYS  50   1.011  -0.859   2.472
  337    H    ILE  51           H        ILE  51   3.239   0.045   2.798
  338    HA   ILE  51           HA       ILE  51   5.295  -1.429   4.381
  339    HB   ILE  51           HB       ILE  51   5.097   1.494   3.602
  340   HG12  ILE  51          HG12      ILE  51   5.681   0.096   1.671
  341   HG13  ILE  51          HG13      ILE  51   7.048   1.089   2.175
  342   HG21  ILE  51          HG21      ILE  51   7.426   1.623   4.489
  343   HG22  ILE  51          HG22      ILE  51   6.195   1.312   5.727
  344   HG23  ILE  51          HG23      ILE  51   7.237  -0.018   5.150
  345   HD11  ILE  51          HD11      ILE  51   7.744  -1.187   1.599
  346   HD12  ILE  51          HD12      ILE  51   8.061  -0.860   3.316
  347   HD13  ILE  51          HD13      ILE  51   6.666  -1.869   2.828
  348    H    ASN  52           H        ASN  52   5.365  -1.153   6.609
  349    HA   ASN  52           HA       ASN  52   2.854  -0.570   7.871
  350    HB2  ASN  52           HB2      ASN  52   5.638  -1.127   8.963
  351    HB3  ASN  52           HB3      ASN  52   4.194  -1.029   9.963
  352   HD21  ASN  52          HD21      ASN  52   5.527  -3.317  10.181
  353   HD22  ASN  52          HD22      ASN  52   4.724  -4.620   9.332
  354    HA   PRO  53           HA       PRO  53   2.392  -0.036  10.191
  355    HB2  PRO  53           HB2      PRO  53   0.585   1.720  11.195
  356    HB3  PRO  53           HB3      PRO  53   2.252   1.600  11.852
  357    HG2  PRO  53           HG2      PRO  53   1.211   3.564   9.778
  358    HG3  PRO  53           HG3      PRO  53   2.115   3.939  11.288
  359    HD2  PRO  53           HD2      PRO  53   3.370   3.714   8.881
  360    HD3  PRO  53           HD3      PRO  53   4.137   3.099  10.378
  361    H    CYS  54           H        CYS  54   0.137  -0.687   9.969
  362    HA   CYS  54           HA       CYS  54  -1.281   0.390   7.599
  363    HB2  CYS  54           HB2      CYS  54  -0.561  -2.496   8.159
  364    HB3  CYS  54           HB3      CYS  54  -1.864  -2.034   7.069
  365    HA   PRO  55           HA       PRO  55  -3.919  -0.151  11.437
  366    HB2  PRO  55           HB2      PRO  55  -5.149   2.307  11.304
  367    HB3  PRO  55           HB3      PRO  55  -3.571   2.037  12.106
  368    HG2  PRO  55           HG2      PRO  55  -4.071   2.991   9.267
  369    HG3  PRO  55           HG3      PRO  55  -3.009   3.740  10.511
  370    HD2  PRO  55           HD2      PRO  55  -1.968   2.095   8.645
  371    HD3  PRO  55           HD3      PRO  55  -1.438   1.957  10.353
  372    H    ARG  56           H        ARG  56  -6.297  -0.199  11.527
  373    HA   ARG  56           HA       ARG  56  -7.331  -1.271   9.034
  374    HB2  ARG  56           HB2      ARG  56  -8.649  -0.915  11.749
  375    HB3  ARG  56           HB3      ARG  56  -9.318  -1.822  10.379
  376    HG2  ARG  56           HG2      ARG  56  -7.283  -3.288  10.397
  377    HG3  ARG  56           HG3      ARG  56  -6.724  -2.448  11.864
  378    HD2  ARG  56           HD2      ARG  56  -8.834  -3.113  13.010
  379    HD3  ARG  56           HD3      ARG  56  -9.347  -3.953  11.534
  380    HE   ARG  56           HE       ARG  56  -6.763  -4.891  12.387
  381   HH11  ARG  56          HH11      ARG  56 -10.207  -5.128  13.144
  382   HH12  ARG  56          HH12      ARG  56 -10.060  -6.722  13.853
  383   HH21  ARG  56          HH21      ARG  56  -6.603  -6.970  13.303
  384   HH22  ARG  56          HH22      ARG  56  -8.026  -7.757  13.949
  385    H    CYS  57           H        CYS  57  -9.453  -0.726   8.173
  386    HA   CYS  57           HA       CYS  57 -10.307   2.082   8.529
  387    HB2  CYS  57           HB2      CYS  57  -8.601   2.156   6.790
  388    HB3  CYS  57           HB3      CYS  57  -9.398   0.845   5.911
  Start of MODEL   17
    1    HA   PCA   1           HA       PCA   1 -15.681   5.458   1.329
    2    HB2  PCA   1           HB2      PCA   1 -15.231   3.902   3.891
    3    HB3  PCA   1           HB3      PCA   1 -14.104   5.041   3.063
    4    HG2  PCA   1           HG2      PCA   1 -15.365   6.923   3.761
    5    HG3  PCA   1           HG3      PCA   1 -15.682   5.832   5.165
    6    H    ASN   2           H        ASN   2 -14.198   3.570   0.723
    7    HA   ASN   2           HA       ASN   2 -15.543   0.947   0.641
    8    HB2  ASN   2           HB2      ASN   2 -16.222   2.279  -1.382
    9    HB3  ASN   2           HB3      ASN   2 -14.516   2.470  -1.792
   10   HD21  ASN   2          HD21      ASN   2 -15.038   1.450  -3.823
   11   HD22  ASN   2          HD22      ASN   2 -15.202  -0.293  -3.926
   12    H    CYS   3           H        CYS   3 -14.066  -0.773   0.044
   13    HA   CYS   3           HA       CYS   3 -11.184  -0.137  -0.002
   14    HB2  CYS   3           HB2      CYS   3 -10.809  -1.857   1.791
   15    HB3  CYS   3           HB3      CYS   3 -11.457  -0.308   2.318
   16    HA   PRO   4           HA       PRO   4 -12.366  -3.587  -2.832
   17    HB2  PRO   4           HB2      PRO   4 -11.110  -2.676  -5.052
   18    HB3  PRO   4           HB3      PRO   4 -12.676  -1.984  -4.515
   19    HG2  PRO   4           HG2      PRO   4  -9.879  -0.928  -3.962
   20    HG3  PRO   4           HG3      PRO   4 -11.281  -0.021  -4.621
   21    HD2  PRO   4           HD2      PRO   4 -10.648   0.023  -1.967
   22    HD3  PRO   4           HD3      PRO   4 -12.355   0.020  -2.518
   23    H    THR   5           H        THR   5 -10.770  -4.878  -4.307
   24    HA   THR   5           HA       THR   5  -8.121  -5.094  -2.949
   25    HB   THR   5           HB       THR   5  -9.695  -7.296  -4.330
   26    HG1  THR   5           HG1      THR   5 -10.162  -7.981  -2.243
   27   HG21  THR   5          HG21      THR   5  -8.105  -8.768  -3.131
   28   HG22  THR   5          HG22      THR   5  -7.254  -7.663  -4.225
   29   HG23  THR   5          HG23      THR   5  -7.270  -7.332  -2.479
   30    H    ARG   6           H        ARG   6  -6.327  -4.935  -4.256
   31    HA   ARG   6           HA       ARG   6  -6.639  -5.365  -7.166
   32    HB2  ARG   6           HB2      ARG   6  -5.377  -2.857  -5.996
   33    HB3  ARG   6           HB3      ARG   6  -5.455  -3.310  -7.704
   34    HG2  ARG   6           HG2      ARG   6  -7.973  -3.295  -7.538
   35    HG3  ARG   6           HG3      ARG   6  -7.804  -2.667  -5.884
   36    HD2  ARG   6           HD2      ARG   6  -8.190  -0.814  -7.369
   37    HD3  ARG   6           HD3      ARG   6  -6.511  -0.733  -6.786
   38    HE   ARG   6           HE       ARG   6  -6.698  -2.174  -9.285
   39   HH11  ARG   6          HH11      ARG   6  -6.697   1.091  -7.920
   40   HH12  ARG   6          HH12      ARG   6  -6.108   1.826  -9.396
   41   HH21  ARG   6          HH21      ARG   6  -5.917  -1.186 -11.179
   42   HH22  ARG   6          HH22      ARG   6  -5.650   0.537 -11.229
   43    H    ARG   7           H        ARG   7  -4.804  -6.135  -8.148
   44    HA   ARG   7           HA       ARG   7  -2.272  -6.341  -6.617
   45    HB2  ARG   7           HB2      ARG   7  -3.729  -8.690  -7.891
   46    HB3  ARG   7           HB3      ARG   7  -2.118  -8.750  -7.163
   47    HG2  ARG   7           HG2      ARG   7  -4.698  -8.106  -5.678
   48    HG3  ARG   7           HG3      ARG   7  -3.891  -9.672  -5.683
   49    HD2  ARG   7           HD2      ARG   7  -2.615  -7.093  -4.680
   50    HD3  ARG   7           HD3      ARG   7  -3.407  -8.292  -3.654
   51    HE   ARG   7           HE       ARG   7  -1.612  -9.847  -4.928
   52   HH11  ARG   7          HH11      ARG   7  -1.243  -6.683  -3.396
   53   HH12  ARG   7          HH12      ARG   7   0.440  -6.937  -2.996
   54   HH21  ARG   7          HH21      ARG   7   0.575 -10.180  -4.327
   55   HH22  ARG   7          HH22      ARG   7   1.451  -8.920  -3.486
   56    H    GLY   8           H        GLY   8  -0.481  -7.108  -8.083
   57    HA2  GLY   8           HA2      GLY   8   0.660  -7.138 -10.066
   58    HA3  GLY   8           HA3      GLY   8  -0.886  -7.199 -10.935
   59    H    LEU   9           H        LEU   9  -0.412  -4.564  -8.671
   60    HA   LEU   9           HA       LEU   9  -0.919  -2.616 -10.684
   61    HB2  LEU   9           HB2      LEU   9   0.181  -2.373  -7.856
   62    HB3  LEU   9           HB3      LEU   9  -0.400  -1.014  -8.828
   63    HG   LEU   9           HG       LEU   9  -2.126  -3.411  -8.066
   64   HD11  LEU   9          HD11      LEU   9  -2.000  -0.614  -6.870
   65   HD12  LEU   9          HD12      LEU   9  -3.156  -1.894  -6.431
   66   HD13  LEU   9          HD13      LEU   9  -1.423  -2.102  -6.083
   67   HD21  LEU   9          HD21      LEU   9  -2.787  -0.672  -9.235
   68   HD22  LEU   9          HD22      LEU   9  -2.892  -2.232 -10.093
   69   HD23  LEU   9          HD23      LEU   9  -3.976  -1.892  -8.728
   70    H    CYS  10           H        CYS  10   2.041  -4.196  -9.867
   71    HA   CYS  10           HA       CYS  10   3.669  -1.914 -10.818
   72    HB2  CYS  10           HB2      CYS  10   4.250  -3.080  -8.731
   73    HB3  CYS  10           HB3      CYS  10   4.447  -4.587  -9.629
   74    H    VAL  11           H        VAL  11   1.998  -4.445 -12.253
   75    HA   VAL  11           HA       VAL  11   4.117  -5.364 -14.041
   76    HB   VAL  11           HB       VAL  11   1.112  -5.844 -14.058
   77   HG11  VAL  11          HG11      VAL  11   3.383  -7.292 -15.487
   78   HG12  VAL  11          HG12      VAL  11   1.690  -7.823 -15.441
   79   HG13  VAL  11          HG13      VAL  11   2.109  -6.316 -16.264
   80   HG21  VAL  11          HG21      VAL  11   2.236  -6.684 -11.999
   81   HG22  VAL  11          HG22      VAL  11   1.676  -8.008 -13.037
   82   HG23  VAL  11          HG23      VAL  11   3.395  -7.576 -13.022
   83    H    THR  12           H        THR  12   1.600  -2.865 -14.097
   84    HA   THR  12           HA       THR  12   2.706  -1.933 -16.658
   85    HB   THR  12           HB       THR  12   1.029  -3.632 -17.300
   86    HG1  THR  12           HG1      THR  12  -0.094  -2.247 -18.695
   87   HG21  THR  12          HG21      THR  12  -0.523  -3.402 -15.374
   88   HG22  THR  12          HG22      THR  12  -0.998  -1.789 -15.962
   89   HG23  THR  12          HG23      THR  12  -1.360  -3.230 -16.931
   90    H    SER  13           H        SER  13   0.625  -1.431 -13.825
   91    HA   SER  13           HA       SER  13  -0.017   1.318 -14.587
   92    HB2  SER  13           HB2      SER  13  -0.465  -0.326 -12.073
   93    HB3  SER  13           HB3      SER  13  -1.036   1.339 -12.312
   94    HG   SER  13           HG       SER  13  -2.609  -0.242 -12.882
   95    H    GLY  14           H        GLY  14   2.473  -0.343 -12.856
   96    HA2  GLY  14           HA2      GLY  14   4.590   0.524 -12.394
   97    HA3  GLY  14           HA3      GLY  14   3.968   2.173 -12.551
   98    H    LEU  15           H        LEU  15   5.659   1.737 -10.524
   99    HA   LEU  15           HA       LEU  15   4.629   0.733  -8.085
  100    HB2  LEU  15           HB2      LEU  15   6.993   1.120  -8.478
  101    HB3  LEU  15           HB3      LEU  15   6.716   2.850  -8.728
  102    HG   LEU  15           HG       LEU  15   6.015   3.113  -6.394
  103   HD11  LEU  15          HD11      LEU  15   5.104   0.846  -5.963
  104   HD12  LEU  15          HD12      LEU  15   6.737   0.159  -6.127
  105   HD13  LEU  15          HD13      LEU  15   6.356   1.257  -4.778
  106   HD21  LEU  15          HD21      LEU  15   8.383   3.382  -7.004
  107   HD22  LEU  15          HD22      LEU  15   8.221   2.729  -5.362
  108   HD23  LEU  15          HD23      LEU  15   8.669   1.651  -6.701
  109    H    THR  16           H        THR  16   4.131   3.844  -9.717
  110    HA   THR  16           HA       THR  16   3.270   5.353  -7.466
  111    HB   THR  16           HB       THR  16   2.332   5.550 -10.355
  112    HG1  THR  16           HG1      THR  16   4.115   6.936 -10.561
  113   HG21  THR  16          HG21      THR  16   2.555   7.618  -8.121
  114   HG22  THR  16          HG22      THR  16   2.120   7.966  -9.810
  115   HG23  THR  16          HG23      THR  16   1.045   6.973  -8.810
  116    H    ALA  17           H        ALA  17   1.569   2.949  -9.493
  117    HA   ALA  17           HA       ALA  17  -1.045   3.649  -8.399
  118    HB1  ALA  17           HB1      ALA  17  -0.086   1.230  -9.984
  119    HB2  ALA  17           HB2      ALA  17  -1.778   1.658  -9.647
  120    HB3  ALA  17           HB3      ALA  17  -0.787   2.724 -10.661
  121    H    CYS  18           H        CYS  18   1.571   1.366  -7.648
  122    HA   CYS  18           HA       CYS  18   0.030  -0.183  -5.748
  123    HB2  CYS  18           HB2      CYS  18   1.978  -1.111  -6.862
  124    HB3  CYS  18           HB3      CYS  18   2.995   0.204  -6.274
  125    H    ARG  19           H        ARG  19   1.964   2.796  -5.675
  126    HA   ARG  19           HA       ARG  19   2.106   2.919  -2.780
  127    HB2  ARG  19           HB2      ARG  19   3.674   3.904  -4.594
  128    HB3  ARG  19           HB3      ARG  19   2.489   5.217  -4.714
  129    HG2  ARG  19           HG2      ARG  19   2.778   5.657  -2.261
  130    HG3  ARG  19           HG3      ARG  19   3.935   4.310  -2.180
  131    HD2  ARG  19           HD2      ARG  19   5.309   5.509  -3.945
  132    HD3  ARG  19           HD3      ARG  19   4.215   6.893  -3.760
  133    HE   ARG  19           HE       ARG  19   5.372   5.930  -1.248
  134   HH11  ARG  19          HH11      ARG  19   5.828   8.098  -4.017
  135   HH12  ARG  19          HH12      ARG  19   6.942   9.135  -3.161
  136   HH21  ARG  19          HH21      ARG  19   6.828   7.291  -0.176
  137   HH22  ARG  19          HH22      ARG  19   7.501   8.686  -0.991
  138    H    ASN  20           H        ASN  20  -0.094   4.056  -5.282
  139    HA   ASN  20           HA       ASN  20  -1.582   5.796  -3.464
  140    HB2  ASN  20           HB2      ASN  20  -2.168   4.700  -6.240
  141    HB3  ASN  20           HB3      ASN  20  -3.207   5.841  -5.387
  142   HD21  ASN  20          HD21      ASN  20  -2.221   6.530  -7.861
  143   HD22  ASN  20          HD22      ASN  20  -1.033   7.803  -7.683
  144    H    HIS  21           H        HIS  21  -1.744   2.390  -4.504
  145    HA   HIS  21           HA       HIS  21  -4.427   2.004  -3.465
  146    HB2  HIS  21           HB2      HIS  21  -3.454   0.663  -5.289
  147    HB3  HIS  21           HB3      HIS  21  -2.229   0.033  -4.176
  148    HD1  HIS  21           HD1      HIS  21  -6.103  -0.051  -4.519
  149    HD2  HIS  21           HD2      HIS  21  -2.849  -2.118  -2.852
  150    HE1  HIS  21           HE1      HIS  21  -7.037  -2.226  -3.571
  151    H    CYS  22           H        CYS  22  -1.117   1.643  -2.196
  152    HA   CYS  22           HA       CYS  22  -1.983   0.318   0.242
  153    HB2  CYS  22           HB2      CYS  22   0.565   1.726  -0.595
  154    HB3  CYS  22           HB3      CYS  22   0.364   0.936   0.972
  155    H    ARG  23           H        ARG  23  -1.624   3.708  -0.795
  156    HA   ARG  23           HA       ARG  23  -1.825   4.675   1.975
  157    HB2  ARG  23           HB2      ARG  23  -1.571   6.010  -0.736
  158    HB3  ARG  23           HB3      ARG  23  -1.894   6.925   0.749
  159    HG2  ARG  23           HG2      ARG  23   0.110   5.990   1.814
  160    HG3  ARG  23           HG3      ARG  23   0.482   5.058   0.353
  161    HD2  ARG  23           HD2      ARG  23   0.811   7.076  -0.934
  162    HD3  ARG  23           HD3      ARG  23   0.171   8.084   0.382
  163    HE   ARG  23           HE       ARG  23   2.316   6.730   1.511
  164   HH11  ARG  23          HH11      ARG  23   1.878   8.920  -1.225
  165   HH12  ARG  23          HH12      ARG  23   3.483   9.606  -1.086
  166   HH21  ARG  23          HH21      ARG  23   4.381   7.650   1.690
  167   HH22  ARG  23          HH22      ARG  23   4.902   8.885   0.567
  168    H    SER  24           H        SER  24  -3.995   3.921  -0.655
  169    HA   SER  24           HA       SER  24  -6.216   5.253   0.778
  170    HB2  SER  24           HB2      SER  24  -7.590   4.514  -1.130
  171    HB3  SER  24           HB3      SER  24  -6.214   5.511  -1.638
  172    HG   SER  24           HG       SER  24  -5.180   3.716  -2.349
  173    H    CYS  25           H        CYS  25  -8.251   3.818   1.113
  174    HA   CYS  25           HA       CYS  25  -7.326   1.573   2.706
  175    HB2  CYS  25           HB2      CYS  25 -10.162   2.442   2.096
  176    HB3  CYS  25           HB3      CYS  25  -9.619   1.363   3.391
  177    H    HIS  26           H        HIS  26  -7.470  -0.570   2.351
  178    HA   HIS  26           HA       HIS  26  -8.734  -1.562  -0.139
  179    HB2  HIS  26           HB2      HIS  26  -6.584  -2.742  -0.678
  180    HB3  HIS  26           HB3      HIS  26  -6.503  -0.987  -0.845
  181    HD1  HIS  26           HD1      HIS  26  -4.671   0.241   0.496
  182    HD2  HIS  26           HD2      HIS  26  -5.438  -3.699   1.776
  183    HE1  HIS  26           HE1      HIS  26  -2.913  -0.302   2.296
  184    HE2  HIS  26           HE2      HIS  26  -3.405  -2.702   3.068
  185    H    ARG  27           H        ARG  27  -8.490  -4.042  -0.183
  186    HA   ARG  27           HA       ARG  27  -9.541  -4.983   2.335
  187    HB2  ARG  27           HB2      ARG  27 -10.213  -5.632  -0.071
  188    HB3  ARG  27           HB3      ARG  27  -8.767  -6.650  -0.074
  189    HG2  ARG  27           HG2      ARG  27 -10.737  -7.972   0.509
  190    HG3  ARG  27           HG3      ARG  27  -9.650  -7.884   1.908
  191    HD2  ARG  27           HD2      ARG  27 -12.044  -7.547   2.524
  192    HD3  ARG  27           HD3      ARG  27 -11.037  -6.153   2.931
  193    HE   ARG  27           HE       ARG  27 -11.973  -4.918   1.103
  194   HH11  ARG  27          HH11      ARG  27 -13.539  -8.063   1.578
  195   HH12  ARG  27          HH12      ARG  27 -14.946  -7.612   0.646
  196   HH21  ARG  27          HH21      ARG  27 -13.771  -4.387  -0.109
  197   HH22  ARG  27          HH22      ARG  27 -15.085  -5.526  -0.304
  198    H    GLY  28           H        GLY  28  -8.656  -6.342   3.833
  199    HA2  GLY  28           HA2      GLY  28  -5.761  -7.032   3.543
  200    HA3  GLY  28           HA3      GLY  28  -6.562  -6.650   5.072
  201    H    ASP  29           H        ASP  29  -5.484  -8.840   5.548
  202    HA   ASP  29           HA       ASP  29  -6.810 -11.182   4.387
  203    HB2  ASP  29           HB2      ASP  29  -4.717 -10.880   6.571
  204    HB3  ASP  29           HB3      ASP  29  -5.274 -12.416   5.886
  205    H    VAL  30           H        VAL  30  -7.419  -9.085   7.050
  206    HA   VAL  30           HA       VAL  30  -9.321 -11.091   8.181
  207    HB   VAL  30           HB       VAL  30  -7.569  -9.134   9.725
  208   HG11  VAL  30          HG11      VAL  30  -9.712  -9.474  10.866
  209   HG12  VAL  30          HG12      VAL  30  -9.577 -11.233  10.654
  210   HG13  VAL  30          HG13      VAL  30  -8.440 -10.365  11.719
  211   HG21  VAL  30          HG21      VAL  30  -6.259 -11.041   8.893
  212   HG22  VAL  30          HG22      VAL  30  -6.507 -11.184  10.639
  213   HG23  VAL  30          HG23      VAL  30  -7.479 -12.174   9.523
  214    H    GLY  31           H        GLY  31  -8.709  -7.885   7.013
  215    HA2  GLY  31           HA2      GLY  31 -11.413  -7.147   6.831
  216    HA3  GLY  31           HA3      GLY  31 -10.775  -6.438   8.328
  217    H    CYS  32           H        CYS  32 -11.523  -4.562   6.587
  218    HA   CYS  32           HA       CYS  32  -9.451  -3.955   4.658
  219    HB2  CYS  32           HB2      CYS  32 -11.817  -2.358   5.673
  220    HB3  CYS  32           HB3      CYS  32 -10.684  -1.794   4.440
  221    H    VAL  33           H        VAL  33  -7.927  -2.390   4.666
  222    HA   VAL  33           HA       VAL  33  -7.328  -0.861   7.123
  223    HB   VAL  33           HB       VAL  33  -4.996  -1.712   7.146
  224   HG11  VAL  33          HG11      VAL  33  -7.018  -3.967   7.478
  225   HG12  VAL  33          HG12      VAL  33  -5.426  -3.824   8.259
  226   HG13  VAL  33          HG13      VAL  33  -6.720  -2.673   8.662
  227   HG21  VAL  33          HG21      VAL  33  -4.851  -2.526   4.828
  228   HG22  VAL  33          HG22      VAL  33  -4.426  -3.801   5.982
  229   HG23  VAL  33          HG23      VAL  33  -6.020  -3.818   5.200
  230    H    ARG  34           H        ARG  34  -5.331   0.526   6.745
  231    HA   ARG  34           HA       ARG  34  -4.672   0.976   3.905
  232    HB2  ARG  34           HB2      ARG  34  -4.989   3.353   4.042
  233    HB3  ARG  34           HB3      ARG  34  -6.510   2.575   4.513
  234    HG2  ARG  34           HG2      ARG  34  -5.904   2.904   6.924
  235    HG3  ARG  34           HG3      ARG  34  -4.434   3.760   6.406
  236    HD2  ARG  34           HD2      ARG  34  -7.309   4.573   5.842
  237    HD3  ARG  34           HD3      ARG  34  -6.161   5.375   6.937
  238    HE   ARG  34           HE       ARG  34  -5.072   5.225   4.287
  239   HH11  ARG  34          HH11      ARG  34  -7.513   6.970   6.164
  240   HH12  ARG  34          HH12      ARG  34  -7.451   8.380   5.131
  241   HH21  ARG  34          HH21      ARG  34  -5.040   7.041   2.961
  242   HH22  ARG  34          HH22      ARG  34  -6.032   8.436   3.340
  243    H    CYS  35           H        CYS  35  -2.566   2.064   3.682
  244    HA   CYS  35           HA       CYS  35  -0.900   1.740   6.141
  245    HB2  CYS  35           HB2      CYS  35  -0.169   1.040   3.295
  246    HB3  CYS  35           HB3      CYS  35   0.845   0.818   4.708
  247    H    SER  36           H        SER  36   1.500   2.597   5.318
  248    HA   SER  36           HA       SER  36   0.970   5.489   4.914
  249    HB2  SER  36           HB2      SER  36   3.228   3.941   6.237
  250    HB3  SER  36           HB3      SER  36   3.179   5.702   6.066
  251    HG   SER  36           HG       SER  36   1.293   4.066   7.419
  252    H    ASN  37           H        ASN  37   2.853   2.770   3.566
  253    HA   ASN  37           HA       ASN  37   3.556   4.439   1.267
  254    HB2  ASN  37           HB2      ASN  37   5.305   4.870   3.096
  255    HB3  ASN  37           HB3      ASN  37   5.799   3.185   2.903
  256   HD21  ASN  37          HD21      ASN  37   7.906   4.258   2.368
  257   HD22  ASN  37          HD22      ASN  37   8.170   4.767   0.713
  258    H    ALA  38           H        ALA  38   5.248   2.869  -0.122
  259    HA   ALA  38           HA       ALA  38   4.417   0.063   0.064
  260    HB1  ALA  38           HB1      ALA  38   2.550   1.274  -1.128
  261    HB2  ALA  38           HB2      ALA  38   3.737   1.745  -2.370
  262    HB3  ALA  38           HB3      ALA  38   3.351   0.032  -2.116
  263    H    GLN  39           H        GLN  39   5.361  -1.215  -1.743
  264    HA   GLN  39           HA       GLN  39   7.528  -0.032  -3.310
  265    HB2  GLN  39           HB2      GLN  39   9.205  -1.633  -2.538
  266    HB3  GLN  39           HB3      GLN  39   8.678  -0.603  -1.196
  267    HG2  GLN  39           HG2      GLN  39   7.237  -2.377  -0.342
  268    HG3  GLN  39           HG3      GLN  39   7.569  -3.391  -1.752
  269   HE21  GLN  39          HE21      GLN  39   9.347  -1.661   0.889
  270   HE22  GLN  39          HE22      GLN  39  10.564  -2.910   1.093
  271    H    CYS  40           H        CYS  40   8.396  -1.708  -4.864
  272    HA   CYS  40           HA       CYS  40   6.246  -3.666  -5.520
  273    HB2  CYS  40           HB2      CYS  40   6.435  -2.064  -7.253
  274    HB3  CYS  40           HB3      CYS  40   8.203  -2.155  -7.264
  275    H    THR  41           H        THR  41   6.706  -5.756  -5.895
  276    HA   THR  41           HA       THR  41   9.491  -6.690  -5.384
  277    HB   THR  41           HB       THR  41   8.518  -8.515  -4.021
  278    HG1  THR  41           HG1      THR  41   6.349  -8.251  -3.344
  279   HG21  THR  41          HG21      THR  41   8.029  -7.178  -2.021
  280   HG22  THR  41          HG22      THR  41   9.365  -6.436  -2.938
  281   HG23  THR  41          HG23      THR  41   7.734  -5.740  -3.016
  282    H    GLY  42           H        GLY  42   9.416  -9.257  -5.775
  283    HA2  GLY  42           HA2      GLY  42   8.942 -11.016  -7.227
  284    HA3  GLY  42           HA3      GLY  42   7.799  -9.990  -8.116
  285    H    PHE  43           H        PHE  43   9.458 -11.559  -9.592
  286    HA   PHE  43           HA       PHE  43  12.014 -10.431 -10.187
  287    HB2  PHE  43           HB2      PHE  43  11.388 -12.749 -10.639
  288    HB3  PHE  43           HB3      PHE  43  10.185 -12.217 -11.817
  289    HD1  PHE  43           HD2      PHE  43  13.842 -11.616 -11.110
  290    HD2  PHE  43           HD1      PHE  43  10.806 -12.453 -14.042
  291    HE1  PHE  43           HE2      PHE  43  15.579 -11.709 -12.883
  292    HE2  PHE  43           HE1      PHE  43  12.546 -12.543 -15.813
  293    HZ   PHE  43           HZ       PHE  43  14.923 -12.171 -15.236
  294    H    LEU  44           H        LEU  44  12.636  -8.856 -11.540
  295    HA   LEU  44           HA       LEU  44  12.502  -6.908 -12.648
  296    HB2  LEU  44           HB2      LEU  44  10.516  -8.421 -14.375
  297    HB3  LEU  44           HB3      LEU  44  11.392  -6.959 -14.834
  298    HG   LEU  44           HG       LEU  44  12.694  -9.624 -14.133
  299   HD11  LEU  44          HD11      LEU  44  12.286  -8.200 -16.803
  300   HD12  LEU  44          HD12      LEU  44  13.202  -9.701 -16.561
  301   HD13  LEU  44          HD13      LEU  44  11.452  -9.674 -16.265
  302   HD21  LEU  44          HD21      LEU  44  14.174  -7.722 -13.605
  303   HD22  LEU  44          HD22      LEU  44  14.736  -8.558 -15.067
  304   HD23  LEU  44          HD23      LEU  44  13.861  -7.017 -15.210
  305    H    GLY  45           H        GLY  45  10.344  -7.508 -10.503
  306    HA2  GLY  45           HA2      GLY  45   8.798  -6.209  -9.425
  307    HA3  GLY  45           HA3      GLY  45   9.041  -4.939 -10.635
  308    H    THR  46           H        THR  46   7.017  -7.516  -9.547
  309    HA   THR  46           HA       THR  46   5.032  -6.847 -11.623
  310    HB   THR  46           HB       THR  46   4.518  -9.307 -11.894
  311    HG1  THR  46           HG1      THR  46   5.648 -10.086 -10.115
  312   HG21  THR  46          HG21      THR  46   5.748  -8.037 -13.610
  313   HG22  THR  46          HG22      THR  46   7.290  -8.448 -12.820
  314   HG23  THR  46          HG23      THR  46   6.279  -9.730 -13.526
  315    H    THR  47           H        THR  47   5.705  -6.961  -8.440
  316    HA   THR  47           HA       THR  47   2.921  -7.717  -7.715
  317    HB   THR  47           HB       THR  47   5.448  -8.533  -6.225
  318    HG1  THR  47           HG1      THR  47   4.846 -10.599  -6.907
  319   HG21  THR  47          HG21      THR  47   3.833  -9.942  -4.920
  320   HG22  THR  47          HG22      THR  47   3.577  -8.206  -4.686
  321   HG23  THR  47          HG23      THR  47   2.496  -9.127  -5.767
  322    H    CYS  48           H        CYS  48   2.106  -6.661  -5.845
  323    HA   CYS  48           HA       CYS  48   3.566  -4.148  -5.175
  324    HB2  CYS  48           HB2      CYS  48   1.495  -3.778  -6.383
  325    HB3  CYS  48           HB3      CYS  48   0.611  -4.822  -5.269
  326    H    THR  49           H        THR  49   3.969  -3.645  -3.083
  327    HA   THR  49           HA       THR  49   2.761  -5.310  -0.933
  328    HB   THR  49           HB       THR  49   5.735  -4.797  -1.332
  329    HG1  THR  49           HG1      THR  49   4.911  -6.507  -2.544
  330   HG21  THR  49          HG21      THR  49   4.224  -6.170   0.935
  331   HG22  THR  49          HG22      THR  49   5.985  -6.205   0.712
  332   HG23  THR  49          HG23      THR  49   5.173  -4.661   1.048
  333    H    CYS  50           H        CYS  50   2.394  -4.172   0.975
  334    HA   CYS  50           HA       CYS  50   2.839  -1.245   0.775
  335    HB2  CYS  50           HB2      CYS  50   0.989  -2.810   2.595
  336    HB3  CYS  50           HB3      CYS  50   1.083  -1.055   2.424
  337    H    ILE  51           H        ILE  51   3.240  -0.087   2.849
  338    HA   ILE  51           HA       ILE  51   5.294  -1.532   4.466
  339    HB   ILE  51           HB       ILE  51   5.070   1.393   3.698
  340   HG12  ILE  51          HG12      ILE  51   5.707   0.008   1.761
  341   HG13  ILE  51          HG13      ILE  51   7.038   1.040   2.288
  342   HG21  ILE  51          HG21      ILE  51   7.395   1.550   4.622
  343   HG22  ILE  51          HG22      ILE  51   6.154   1.226   5.835
  344   HG23  ILE  51          HG23      ILE  51   7.205  -0.098   5.268
  345   HD11  ILE  51          HD11      ILE  51   8.108  -0.863   3.422
  346   HD12  ILE  51          HD12      ILE  51   6.748  -1.920   2.952
  347   HD13  ILE  51          HD13      ILE  51   7.798  -1.218   1.705
  348    H    ASN  52           H        ASN  52   5.302  -1.272   6.685
  349    HA   ASN  52           HA       ASN  52   2.760  -0.652   7.888
  350    HB2  ASN  52           HB2      ASN  52   5.494  -1.346   9.026
  351    HB3  ASN  52           HB3      ASN  52   4.035  -1.198  10.005
  352   HD21  ASN  52          HD21      ASN  52   5.310  -3.553  10.160
  353   HD22  ASN  52          HD22      ASN  52   4.448  -4.798   9.284
  354    HA   PRO  53           HA       PRO  53   2.269  -0.144  10.230
  355    HB2  PRO  53           HB2      PRO  53   0.529   1.660  11.263
  356    HB3  PRO  53           HB3      PRO  53   2.179   1.458  11.934
  357    HG2  PRO  53           HG2      PRO  53   1.256   3.523   9.910
  358    HG3  PRO  53           HG3      PRO  53   2.153   3.803  11.436
  359    HD2  PRO  53           HD2      PRO  53   3.434   3.586   9.036
  360    HD3  PRO  53           HD3      PRO  53   4.147   2.896  10.532
  361    H    CYS  54           H        CYS  54  -0.005  -0.668   9.989
  362    HA   CYS  54           HA       CYS  54  -1.356   0.485   7.615
  363    HB2  CYS  54           HB2      CYS  54  -0.872  -2.439   8.218
  364    HB3  CYS  54           HB3      CYS  54  -2.079  -1.870   7.063
  365    HA   PRO  55           HA       PRO  55  -3.979   0.219  11.492
  366    HB2  PRO  55           HB2      PRO  55  -5.061   2.729  11.303
  367    HB3  PRO  55           HB3      PRO  55  -3.455   2.407  12.042
  368    HG2  PRO  55           HG2      PRO  55  -4.032   3.246   9.182
  369    HG3  PRO  55           HG3      PRO  55  -2.898   4.010  10.348
  370    HD2  PRO  55           HD2      PRO  55  -1.973   2.230   8.564
  371    HD3  PRO  55           HD3      PRO  55  -1.422   2.129  10.262
  372    H    ARG  56           H        ARG  56  -6.372   0.508  11.678
  373    HA   ARG  56           HA       ARG  56  -7.687  -0.773   9.464
  374    HB2  ARG  56           HB2      ARG  56  -8.841   0.530  11.962
  375    HB3  ARG  56           HB3      ARG  56  -9.703  -0.561  10.872
  376    HG2  ARG  56           HG2      ARG  56  -7.344  -1.253  12.659
  377    HG3  ARG  56           HG3      ARG  56  -9.021  -1.785  12.825
  378    HD2  ARG  56           HD2      ARG  56  -7.054  -2.537  10.645
  379    HD3  ARG  56           HD3      ARG  56  -7.726  -3.600  11.878
  380    HE   ARG  56           HE       ARG  56  -9.006  -2.750   9.385
  381   HH11  ARG  56          HH11      ARG  56  -9.568  -4.042  12.629
  382   HH12  ARG  56          HH12      ARG  56 -11.128  -4.714  12.209
  383   HH21  ARG  56          HH21      ARG  56 -11.033  -3.585   8.884
  384   HH22  ARG  56          HH22      ARG  56 -11.959  -4.458  10.091
  385    H    CYS  57           H        CYS  57  -9.672  -0.051   8.493
  386    HA   CYS  57           HA       CYS  57 -10.238   2.824   8.385
  387    HB2  CYS  57           HB2      CYS  57  -8.502   2.591   6.673
  388    HB3  CYS  57           HB3      CYS  57  -9.364   1.238   5.944
  Start of MODEL   18
    1    HA   PCA   1           HA       PCA   1 -17.545  -1.514  -1.320
    2    HB2  PCA   1           HB2      PCA   1 -15.361  -2.867  -0.370
    3    HB3  PCA   1           HB3      PCA   1 -16.819  -3.724  -0.983
    4    HG2  PCA   1           HG2      PCA   1 -15.217  -4.675  -2.436
    5    HG3  PCA   1           HG3      PCA   1 -14.217  -3.171  -2.438
    6    H    ASN   2           H        ASN   2 -16.091  -0.492   0.379
    7    HA   ASN   2           HA       ASN   2 -14.664   1.739  -0.784
    8    HB2  ASN   2           HB2      ASN   2 -16.184   1.801   1.256
    9    HB3  ASN   2           HB3      ASN   2 -14.925   0.925   2.133
   10   HD21  ASN   2          HD21      ASN   2 -14.886   2.785   3.594
   11   HD22  ASN   2          HD22      ASN   2 -14.002   4.224   3.139
   12    H    CYS   3           H        CYS   3 -13.769  -1.385  -0.405
   13    HA   CYS   3           HA       CYS   3 -10.910  -0.731  -0.366
   14    HB2  CYS   3           HB2      CYS   3 -10.569  -2.577   1.372
   15    HB3  CYS   3           HB3      CYS   3 -11.079  -0.987   1.936
   16    HA   PRO   4           HA       PRO   4 -11.888  -4.168  -3.261
   17    HB2  PRO   4           HB2      PRO   4 -10.543  -3.215  -5.398
   18    HB3  PRO   4           HB3      PRO   4 -12.136  -2.540  -4.923
   19    HG2  PRO   4           HG2      PRO   4  -9.385  -1.470  -4.214
   20    HG3  PRO   4           HG3      PRO   4 -10.758  -0.569  -4.948
   21    HD2  PRO   4           HD2      PRO   4 -10.285  -0.537  -2.261
   22    HD3  PRO   4           HD3      PRO   4 -11.949  -0.552  -2.916
   23    H    THR   5           H        THR   5 -10.077  -5.347  -4.702
   24    HA   THR   5           HA       THR   5  -7.569  -5.501  -3.085
   25    HB   THR   5           HB       THR   5  -8.992  -7.842  -4.396
   26    HG1  THR   5           HG1      THR   5 -10.238  -7.047  -2.692
   27   HG21  THR   5          HG21      THR   5  -6.736  -7.636  -2.354
   28   HG22  THR   5          HG22      THR   5  -7.488  -9.144  -2.923
   29   HG23  THR   5          HG23      THR   5  -6.575  -8.125  -4.059
   30    H    ARG   6           H        ARG   6  -5.820  -5.041  -4.265
   31    HA   ARG   6           HA       ARG   6  -5.610  -6.010  -7.051
   32    HB2  ARG   6           HB2      ARG   6  -5.114  -3.149  -6.124
   33    HB3  ARG   6           HB3      ARG   6  -4.662  -3.775  -7.710
   34    HG2  ARG   6           HG2      ARG   6  -7.515  -3.620  -6.641
   35    HG3  ARG   6           HG3      ARG   6  -6.766  -2.437  -7.714
   36    HD2  ARG   6           HD2      ARG   6  -7.155  -5.383  -8.383
   37    HD3  ARG   6           HD3      ARG   6  -8.181  -4.059  -8.947
   38    HE   ARG   6           HE       ARG   6  -5.656  -3.287  -9.736
   39   HH11  ARG   6          HH11      ARG   6  -7.627  -6.181 -10.227
   40   HH12  ARG   6          HH12      ARG   6  -6.889  -6.567 -11.763
   41   HH21  ARG   6          HH21      ARG   6  -4.710  -3.814 -11.745
   42   HH22  ARG   6          HH22      ARG   6  -5.257  -5.222 -12.627
   43    H    ARG   7           H        ARG   7  -3.538  -6.682  -7.531
   44    HA   ARG   7           HA       ARG   7  -1.344  -5.936  -5.655
   45    HB2  ARG   7           HB2      ARG   7  -2.038  -8.753  -6.560
   46    HB3  ARG   7           HB3      ARG   7  -0.587  -8.299  -5.654
   47    HG2  ARG   7           HG2      ARG   7  -3.455  -7.997  -4.673
   48    HG3  ARG   7           HG3      ARG   7  -2.349  -9.296  -4.227
   49    HD2  ARG   7           HD2      ARG   7  -1.931  -6.338  -3.630
   50    HD3  ARG   7           HD3      ARG   7  -2.468  -7.557  -2.478
   51    HE   ARG   7           HE       ARG   7   0.241  -7.047  -3.377
   52   HH11  ARG   7          HH11      ARG   7  -1.882  -9.577  -2.108
   53   HH12  ARG   7          HH12      ARG   7  -0.565 -10.496  -1.422
   54   HH21  ARG   7          HH21      ARG   7   1.917  -8.222  -2.451
   55   HH22  ARG   7          HH22      ARG   7   1.598  -9.727  -1.625
   56    H    GLY   8           H        GLY   8  -2.469  -6.397  -8.859
   57    HA2  GLY   8           HA2      GLY   8   0.203  -6.887  -9.999
   58    HA3  GLY   8           HA3      GLY   8  -1.347  -6.847 -10.865
   59    H    LEU   9           H        LEU   9  -0.896  -4.206  -8.696
   60    HA   LEU   9           HA       LEU   9  -1.244  -2.278 -10.723
   61    HB2  LEU   9           HB2      LEU   9  -0.131  -2.062  -7.900
   62    HB3  LEU   9           HB3      LEU   9  -0.645  -0.678  -8.874
   63    HG   LEU   9           HG       LEU   9  -2.482  -2.997  -8.143
   64   HD11  LEU   9          HD11      LEU   9  -2.198  -0.245  -6.882
   65   HD12  LEU   9          HD12      LEU   9  -3.449  -1.442  -6.498
   66   HD13  LEU   9          HD13      LEU   9  -1.746  -1.791  -6.125
   67   HD21  LEU   9          HD21      LEU   9  -3.177  -1.715 -10.153
   68   HD22  LEU   9          HD22      LEU   9  -4.253  -1.367  -8.781
   69   HD23  LEU   9          HD23      LEU   9  -3.000  -0.197  -9.240
   70    H    CYS  10           H        CYS  10   1.736  -3.771  -9.560
   71    HA   CYS  10           HA       CYS  10   3.344  -1.567 -10.605
   72    HB2  CYS  10           HB2      CYS  10   3.742  -2.968  -8.477
   73    HB3  CYS  10           HB3      CYS  10   4.451  -4.173  -9.553
   74    H    VAL  11           H        VAL  11   1.646  -3.716 -12.251
   75    HA   VAL  11           HA       VAL  11   3.805  -4.245 -14.249
   76    HB   VAL  11           HB       VAL  11   1.294  -5.870 -13.679
   77   HG11  VAL  11          HG11      VAL  11   3.692  -6.368 -15.500
   78   HG12  VAL  11          HG12      VAL  11   2.424  -7.561 -15.129
   79   HG13  VAL  11          HG13      VAL  11   2.011  -6.093 -16.025
   80   HG21  VAL  11          HG21      VAL  11   2.938  -6.086 -11.848
   81   HG22  VAL  11          HG22      VAL  11   2.886  -7.569 -12.820
   82   HG23  VAL  11          HG23      VAL  11   4.219  -6.412 -13.045
   83    H    THR  12           H        THR  12   0.760  -2.689 -13.586
   84    HA   THR  12           HA       THR  12   0.338  -2.296 -16.516
   85    HB   THR  12           HB       THR  12  -2.058  -2.038 -15.961
   86    HG1  THR  12           HG1      THR  12  -2.714  -2.703 -13.898
   87   HG21  THR  12          HG21      THR  12  -1.149  -4.228 -16.713
   88   HG22  THR  12          HG22      THR  12  -0.851  -4.677 -15.016
   89   HG23  THR  12          HG23      THR  12  -2.514  -4.422 -15.588
   90    H    SER  13           H        SER  13   0.924  -0.752 -13.455
   91    HA   SER  13           HA       SER  13   0.574   1.893 -14.767
   92    HB2  SER  13           HB2      SER  13  -0.579   0.917 -12.132
   93    HB3  SER  13           HB3      SER  13  -0.330   2.635 -12.508
   94    HG   SER  13           HG       SER  13  -2.441   1.880 -13.070
   95    H    GLY  14           H        GLY  14   2.262  -0.195 -12.546
   96    HA2  GLY  14           HA2      GLY  14   4.570   0.079 -12.058
   97    HA3  GLY  14           HA3      GLY  14   4.439   1.810 -12.367
   98    H    LEU  15           H        LEU  15   5.758   1.666 -10.274
   99    HA   LEU  15           HA       LEU  15   4.606   0.834  -7.828
  100    HB2  LEU  15           HB2      LEU  15   6.993   1.123  -8.142
  101    HB3  LEU  15           HB3      LEU  15   6.788   2.837  -8.529
  102    HG   LEU  15           HG       LEU  15   6.010   3.298  -6.243
  103   HD11  LEU  15          HD11      LEU  15   6.635   0.355  -5.734
  104   HD12  LEU  15          HD12      LEU  15   6.259   1.557  -4.481
  105   HD13  LEU  15          HD13      LEU  15   5.018   1.104  -5.657
  106   HD21  LEU  15          HD21      LEU  15   8.416   3.452  -6.800
  107   HD22  LEU  15          HD22      LEU  15   8.167   2.947  -5.116
  108   HD23  LEU  15          HD23      LEU  15   8.626   1.748  -6.352
  109    H    THR  16           H        THR  16   4.178   3.824  -9.674
  110    HA   THR  16           HA       THR  16   3.386   5.501  -7.502
  111    HB   THR  16           HB       THR  16   2.485   5.613 -10.413
  112    HG1  THR  16           HG1      THR  16   4.742   5.664 -10.216
  113   HG21  THR  16          HG21      THR  16   2.618   7.719  -8.214
  114   HG22  THR  16          HG22      THR  16   2.281   8.051  -9.930
  115   HG23  THR  16          HG23      THR  16   1.147   7.077  -8.979
  116    H    ALA  17           H        ALA  17   1.550   3.137  -9.489
  117    HA   ALA  17           HA       ALA  17  -0.981   3.956  -8.267
  118    HB1  ALA  17           HB1      ALA  17  -0.236   1.577 -10.003
  119    HB2  ALA  17           HB2      ALA  17  -1.886   2.045  -9.543
  120    HB3  ALA  17           HB3      ALA  17  -0.913   3.132 -10.560
  121    H    CYS  18           H        CYS  18   1.521   1.493  -7.729
  122    HA   CYS  18           HA       CYS  18   0.006  -0.082  -5.853
  123    HB2  CYS  18           HB2      CYS  18   1.949  -0.963  -6.986
  124    HB3  CYS  18           HB3      CYS  18   2.969   0.341  -6.369
  125    H    ARG  19           H        ARG  19   1.919   2.903  -5.640
  126    HA   ARG  19           HA       ARG  19   1.936   2.919  -2.727
  127    HB2  ARG  19           HB2      ARG  19   3.656   3.956  -4.275
  128    HB3  ARG  19           HB3      ARG  19   2.464   5.205  -4.664
  129    HG2  ARG  19           HG2      ARG  19   2.320   5.824  -2.263
  130    HG3  ARG  19           HG3      ARG  19   3.467   4.526  -1.861
  131    HD2  ARG  19           HD2      ARG  19   5.176   5.620  -3.302
  132    HD3  ARG  19           HD3      ARG  19   4.041   6.927  -3.649
  133    HE   ARG  19           HE       ARG  19   5.376   6.345  -1.057
  134   HH11  ARG  19          HH11      ARG  19   3.237   8.443  -2.936
  135   HH12  ARG  19          HH12      ARG  19   3.346   9.763  -1.789
  136   HH21  ARG  19          HH21      ARG  19   5.490   8.078   0.410
  137   HH22  ARG  19          HH22      ARG  19   4.594   9.550   0.100
  138    H    ASN  20           H        ASN  20  -0.033   4.326  -5.331
  139    HA   ASN  20           HA       ASN  20  -1.607   5.981  -3.538
  140    HB2  ASN  20           HB2      ASN  20  -2.084   4.996  -6.383
  141    HB3  ASN  20           HB3      ASN  20  -3.112   6.163  -5.552
  142   HD21  ASN  20          HD21      ASN  20  -2.015   6.945  -7.905
  143   HD22  ASN  20          HD22      ASN  20  -0.715   8.088  -7.646
  144    H    HIS  21           H        HIS  21  -1.651   2.584  -4.394
  145    HA   HIS  21           HA       HIS  21  -4.413   2.199  -3.500
  146    HB2  HIS  21           HB2      HIS  21  -3.432   0.860  -5.301
  147    HB3  HIS  21           HB3      HIS  21  -2.174   0.274  -4.204
  148    HD1  HIS  21           HD1      HIS  21  -6.031   0.012  -4.563
  149    HD2  HIS  21           HD2      HIS  21  -2.696  -1.882  -2.850
  150    HE1  HIS  21           HE1      HIS  21  -6.862  -2.203  -3.586
  151    H    CYS  22           H        CYS  22  -1.100   1.871  -2.220
  152    HA   CYS  22           HA       CYS  22  -1.982   0.584   0.237
  153    HB2  CYS  22           HB2      CYS  22   0.610   1.875  -0.646
  154    HB3  CYS  22           HB3      CYS  22   0.401   1.131   0.936
  155    H    ARG  23           H        ARG  23  -1.565   3.921  -0.867
  156    HA   ARG  23           HA       ARG  23  -1.764   4.968   1.877
  157    HB2  ARG  23           HB2      ARG  23  -1.477   6.277  -0.845
  158    HB3  ARG  23           HB3      ARG  23  -1.712   7.189   0.664
  159    HG2  ARG  23           HG2      ARG  23   0.291   6.175   1.640
  160    HG3  ARG  23           HG3      ARG  23   0.539   5.187   0.189
  161    HD2  ARG  23           HD2      ARG  23   2.010   7.165   0.167
  162    HD3  ARG  23           HD3      ARG  23   0.848   7.206  -1.168
  163    HE   ARG  23           HE       ARG  23  -0.137   9.089  -0.259
  164   HH11  ARG  23          HH11      ARG  23   2.012   7.642   2.159
  165   HH12  ARG  23          HH12      ARG  23   1.917   9.017   3.227
  166   HH21  ARG  23          HH21      ARG  23  -0.245  10.859   1.159
  167   HH22  ARG  23          HH22      ARG  23   0.637  10.827   2.670
  168    H    SER  24           H        SER  24  -3.937   3.510   0.040
  169    HA   SER  24           HA       SER  24  -6.172   5.156   1.110
  170    HB2  SER  24           HB2      SER  24  -5.994   3.795  -1.614
  171    HB3  SER  24           HB3      SER  24  -7.477   4.490  -0.922
  172    HG   SER  24           HG       SER  24  -6.347   5.933  -2.314
  173    H    CYS  25           H        CYS  25  -8.220   3.713   1.261
  174    HA   CYS  25           HA       CYS  25  -7.393   1.421   2.812
  175    HB2  CYS  25           HB2      CYS  25 -10.188   2.266   2.007
  176    HB3  CYS  25           HB3      CYS  25  -9.739   1.147   3.299
  177    H    HIS  26           H        HIS  26  -7.360  -0.685   2.326
  178    HA   HIS  26           HA       HIS  26  -8.548  -1.693  -0.185
  179    HB2  HIS  26           HB2      HIS  26  -6.330  -2.755  -0.733
  180    HB3  HIS  26           HB3      HIS  26  -6.353  -0.993  -0.888
  181    HD1  HIS  26           HD1      HIS  26  -4.549   0.297   0.452
  182    HD2  HIS  26           HD2      HIS  26  -5.186  -3.667   1.730
  183    HE1  HIS  26           HE1      HIS  26  -2.783  -0.183   2.261
  184    HE2  HIS  26           HE2      HIS  26  -3.186  -2.605   3.023
  185    H    ARG  27           H        ARG  27  -8.135  -4.158  -0.266
  186    HA   ARG  27           HA       ARG  27  -9.211  -5.201   2.202
  187    HB2  ARG  27           HB2      ARG  27  -9.751  -5.882  -0.216
  188    HB3  ARG  27           HB3      ARG  27  -8.220  -6.758  -0.208
  189    HG2  ARG  27           HG2      ARG  27 -10.078  -8.265   0.320
  190    HG3  ARG  27           HG3      ARG  27  -9.006  -8.123   1.719
  191    HD2  ARG  27           HD2      ARG  27 -11.408  -8.029   2.330
  192    HD3  ARG  27           HD3      ARG  27 -10.548  -6.555   2.799
  193    HE   ARG  27           HE       ARG  27 -11.453  -5.631   0.551
  194   HH11  ARG  27          HH11      ARG  27 -13.216  -7.943   2.568
  195   HH12  ARG  27          HH12      ARG  27 -14.778  -7.385   2.008
  196   HH21  ARG  27          HH21      ARG  27 -13.461  -4.930  -0.119
  197   HH22  ARG  27          HH22      ARG  27 -14.924  -5.691   0.476
  198    H    GLY  28           H        GLY  28  -8.302  -6.489   3.737
  199    HA2  GLY  28           HA2      GLY  28  -5.363  -7.005   3.560
  200    HA3  GLY  28           HA3      GLY  28  -6.223  -6.616   5.053
  201    H    ASP  29           H        ASP  29  -5.111  -8.708   5.706
  202    HA   ASP  29           HA       ASP  29  -6.193 -11.168   4.534
  203    HB2  ASP  29           HB2      ASP  29  -3.799 -10.846   5.162
  204    HB3  ASP  29           HB3      ASP  29  -4.294 -10.736   6.858
  205    H    VAL  30           H        VAL  30  -7.003  -9.060   7.150
  206    HA   VAL  30           HA       VAL  30  -8.831 -11.147   8.268
  207    HB   VAL  30           HB       VAL  30  -7.206  -9.089   9.818
  208   HG11  VAL  30          HG11      VAL  30  -9.359  -9.477  10.919
  209   HG12  VAL  30          HG12      VAL  30  -9.156 -11.242  10.749
  210   HG13  VAL  30          HG13      VAL  30  -8.080 -10.308  11.814
  211   HG21  VAL  30          HG21      VAL  30  -5.815 -10.973   9.046
  212   HG22  VAL  30          HG22      VAL  30  -6.087 -11.071  10.793
  213   HG23  VAL  30          HG23      VAL  30  -7.007 -12.126   9.692
  214    H    GLY  31           H        GLY  31  -8.379  -7.959   7.012
  215    HA2  GLY  31           HA2      GLY  31 -11.120  -7.337   6.835
  216    HA3  GLY  31           HA3      GLY  31 -10.476  -6.537   8.285
  217    H    CYS  32           H        CYS  32 -11.267  -4.710   6.550
  218    HA   CYS  32           HA       CYS  32  -9.208  -4.163   4.551
  219    HB2  CYS  32           HB2      CYS  32 -11.651  -2.598   5.434
  220    HB3  CYS  32           HB3      CYS  32 -10.534  -2.096   4.155
  221    H    VAL  33           H        VAL  33  -7.703  -2.576   4.526
  222    HA   VAL  33           HA       VAL  33  -7.206  -1.003   6.986
  223    HB   VAL  33           HB       VAL  33  -4.889  -1.816   7.111
  224   HG11  VAL  33          HG11      VAL  33  -5.305  -4.017   8.076
  225   HG12  VAL  33          HG12      VAL  33  -6.643  -2.924   8.497
  226   HG13  VAL  33          HG13      VAL  33  -6.850  -4.142   7.214
  227   HG21  VAL  33          HG21      VAL  33  -4.586  -2.489   4.773
  228   HG22  VAL  33          HG22      VAL  33  -4.179  -3.818   5.880
  229   HG23  VAL  33          HG23      VAL  33  -5.723  -3.841   5.002
  230    H    ARG  34           H        ARG  34  -5.289   0.442   6.682
  231    HA   ARG  34           HA       ARG  34  -4.669   1.120   3.868
  232    HB2  ARG  34           HB2      ARG  34  -4.996   3.510   4.339
  233    HB3  ARG  34           HB3      ARG  34  -6.510   2.607   4.505
  234    HG2  ARG  34           HG2      ARG  34  -6.199   2.541   6.972
  235    HG3  ARG  34           HG3      ARG  34  -4.710   3.501   6.796
  236    HD2  ARG  34           HD2      ARG  34  -6.001   5.331   5.776
  237    HD3  ARG  34           HD3      ARG  34  -7.483   4.371   5.901
  238    HE   ARG  34           HE       ARG  34  -6.348   4.512   8.488
  239   HH11  ARG  34          HH11      ARG  34  -7.838   6.656   6.105
  240   HH12  ARG  34          HH12      ARG  34  -8.448   7.762   7.313
  241   HH21  ARG  34          HH21      ARG  34  -7.141   5.978  10.043
  242   HH22  ARG  34          HH22      ARG  34  -8.045   7.387   9.537
  243    H    CYS  35           H        CYS  35  -2.587   2.215   3.682
  244    HA   CYS  35           HA       CYS  35  -0.874   1.904   6.103
  245    HB2  CYS  35           HB2      CYS  35  -0.185   1.152   3.258
  246    HB3  CYS  35           HB3      CYS  35   0.829   0.928   4.681
  247    H    SER  36           H        SER  36   1.522   2.756   5.127
  248    HA   SER  36           HA       SER  36   0.933   5.625   4.617
  249    HB2  SER  36           HB2      SER  36   3.184   4.160   6.029
  250    HB3  SER  36           HB3      SER  36   3.192   5.897   5.700
  251    HG   SER  36           HG       SER  36   2.339   5.426   7.767
  252    H    ASN  37           H        ASN  37   2.848   2.865   3.374
  253    HA   ASN  37           HA       ASN  37   3.577   4.471   1.036
  254    HB2  ASN  37           HB2      ASN  37   5.292   4.933   2.880
  255    HB3  ASN  37           HB3      ASN  37   5.783   3.249   2.744
  256   HD21  ASN  37          HD21      ASN  37   7.897   4.363   2.238
  257   HD22  ASN  37          HD22      ASN  37   8.196   4.798   0.567
  258    H    ALA  38           H        ALA  38   5.231   2.865  -0.331
  259    HA   ALA  38           HA       ALA  38   4.380   0.064  -0.052
  260    HB1  ALA  38           HB1      ALA  38   3.348  -0.014  -2.258
  261    HB2  ALA  38           HB2      ALA  38   2.535   1.228  -1.270
  262    HB3  ALA  38           HB3      ALA  38   3.710   1.705  -2.522
  263    H    GLN  39           H        GLN  39   5.314  -1.306  -1.743
  264    HA   GLN  39           HA       GLN  39   7.442  -0.271  -3.442
  265    HB2  GLN  39           HB2      GLN  39   9.142  -1.809  -2.585
  266    HB3  GLN  39           HB3      GLN  39   8.663  -0.657  -1.328
  267    HG2  GLN  39           HG2      GLN  39   7.270  -2.319  -0.244
  268    HG3  GLN  39           HG3      GLN  39   7.531  -3.477  -1.561
  269   HE21  GLN  39          HE21      GLN  39   9.492  -1.470   0.742
  270   HE22  GLN  39          HE22      GLN  39  10.677  -2.725   1.043
  271    H    CYS  40           H        CYS  40   8.291  -2.157  -4.841
  272    HA   CYS  40           HA       CYS  40   6.037  -4.054  -5.252
  273    HB2  CYS  40           HB2      CYS  40   8.175  -3.257  -7.244
  274    HB3  CYS  40           HB3      CYS  40   6.767  -4.291  -7.525
  275    H    THR  41           H        THR  41   6.407  -6.244  -5.557
  276    HA   THR  41           HA       THR  41   9.052  -7.266  -4.636
  277    HB   THR  41           HB       THR  41   7.817  -8.864  -3.190
  278    HG1  THR  41           HG1      THR  41   5.614  -8.377  -2.796
  279   HG21  THR  41          HG21      THR  41   7.135  -5.958  -2.577
  280   HG22  THR  41          HG22      THR  41   7.248  -7.296  -1.409
  281   HG23  THR  41          HG23      THR  41   8.704  -6.734  -2.254
  282    H    GLY  42           H        GLY  42   8.855  -9.834  -4.707
  283    HA2  GLY  42           HA2      GLY  42   8.152 -11.736  -5.971
  284    HA3  GLY  42           HA3      GLY  42   7.576 -10.670  -7.263
  285    H    PHE  43           H        PHE  43   9.041 -12.617  -8.206
  286    HA   PHE  43           HA       PHE  43  11.885 -12.301  -8.059
  287    HB2  PHE  43           HB2      PHE  43  10.793 -14.410  -8.584
  288    HB3  PHE  43           HB3      PHE  43  10.048 -13.709 -10.022
  289    HD1  PHE  43           HD2      PHE  43  13.521 -14.018  -8.581
  290    HD2  PHE  43           HD1      PHE  43  10.985 -14.315 -12.041
  291    HE1  PHE  43           HE2      PHE  43  15.472 -14.695  -9.960
  292    HE2  PHE  43           HE1      PHE  43  12.930 -14.994 -13.413
  293    HZ   PHE  43           HZ       PHE  43  15.179 -15.175 -12.375
  294    H    LEU  44           H        LEU  44   9.457 -10.575  -9.839
  295    HA   LEU  44           HA       LEU  44  11.583  -9.246 -11.432
  296    HB2  LEU  44           HB2      LEU  44   8.916 -10.301 -12.454
  297    HB3  LEU  44           HB3      LEU  44   9.962  -9.206 -13.371
  298    HG   LEU  44           HG       LEU  44  10.810 -11.966 -12.390
  299   HD11  LEU  44          HD11      LEU  44   9.014 -12.095 -14.080
  300   HD12  LEU  44          HD12      LEU  44   9.945 -11.025 -15.150
  301   HD13  LEU  44          HD13      LEU  44  10.568 -12.644 -14.740
  302   HD21  LEU  44          HD21      LEU  44  12.079 -10.026 -14.374
  303   HD22  LEU  44          HD22      LEU  44  12.709 -10.396 -12.747
  304   HD23  LEU  44          HD23      LEU  44  12.674 -11.655 -13.985
  305    H    GLY  45           H        GLY  45   9.666  -8.701  -8.965
  306    HA2  GLY  45           HA2      GLY  45   8.832  -6.759  -8.074
  307    HA3  GLY  45           HA3      GLY  45   9.385  -5.888  -9.518
  308    H    THR  46           H        THR  46   7.307  -8.652 -10.023
  309    HA   THR  46           HA       THR  46   5.336  -6.895 -11.240
  310    HB   THR  46           HB       THR  46   4.355  -9.096 -12.007
  311    HG1  THR  46           HG1      THR  46   5.654 -10.918 -11.606
  312   HG21  THR  46          HG21      THR  46   7.331  -8.666 -12.514
  313   HG22  THR  46          HG22      THR  46   6.229  -9.618 -13.536
  314   HG23  THR  46          HG23      THR  46   6.002  -7.864 -13.380
  315    H    THR  47           H        THR  47   5.647  -7.531  -8.113
  316    HA   THR  47           HA       THR  47   2.693  -7.770  -7.725
  317    HB   THR  47           HB       THR  47   4.885  -8.913  -5.952
  318    HG1  THR  47           HG1      THR  47   4.535 -10.079  -7.870
  319   HG21  THR  47          HG21      THR  47   1.844  -9.024  -5.772
  320   HG22  THR  47          HG22      THR  47   2.957 -10.015  -4.801
  321   HG23  THR  47          HG23      THR  47   2.959  -8.253  -4.614
  322    H    CYS  48           H        CYS  48   1.801  -6.516  -6.033
  323    HA   CYS  48           HA       CYS  48   3.476  -4.195  -5.221
  324    HB2  CYS  48           HB2      CYS  48   1.481  -3.654  -6.487
  325    HB3  CYS  48           HB3      CYS  48   0.490  -4.652  -5.412
  326    H    THR  49           H        THR  49   3.775  -3.667  -3.085
  327    HA   THR  49           HA       THR  49   2.324  -5.190  -1.002
  328    HB   THR  49           HB       THR  49   5.357  -5.012  -1.211
  329    HG1  THR  49           HG1      THR  49   4.468  -6.622  -2.502
  330   HG21  THR  49          HG21      THR  49   5.300  -6.483   0.808
  331   HG22  THR  49          HG22      THR  49   4.678  -4.856   1.134
  332   HG23  THR  49          HG23      THR  49   3.547  -6.213   0.931
  333    H    CYS  50           H        CYS  50   2.184  -4.068   0.998
  334    HA   CYS  50           HA       CYS  50   2.765  -1.174   0.715
  335    HB2  CYS  50           HB2      CYS  50   0.884  -2.612   2.612
  336    HB3  CYS  50           HB3      CYS  50   1.058  -0.869   2.413
  337    H    ILE  51           H        ILE  51   3.255   0.014   2.736
  338    HA   ILE  51           HA       ILE  51   5.315  -1.451   4.323
  339    HB   ILE  51           HB       ILE  51   5.065   1.466   3.535
  340   HG12  ILE  51          HG12      ILE  51   5.700   0.046   1.632
  341   HG13  ILE  51          HG13      ILE  51   7.013   1.114   2.126
  342   HG21  ILE  51          HG21      ILE  51   6.151   1.359   5.674
  343   HG22  ILE  51          HG22      ILE  51   7.209   0.029   5.139
  344   HG23  ILE  51          HG23      ILE  51   7.386   1.663   4.448
  345   HD11  ILE  51          HD11      ILE  51   8.112  -0.759   3.313
  346   HD12  ILE  51          HD12      ILE  51   6.779  -1.847   2.837
  347   HD13  ILE  51          HD13      ILE  51   7.838  -1.135   1.600
  348    H    ASN  52           H        ASN  52   5.366  -1.176   6.557
  349    HA   ASN  52           HA       ASN  52   2.838  -0.598   7.799
  350    HB2  ASN  52           HB2      ASN  52   5.604  -1.193   8.915
  351    HB3  ASN  52           HB3      ASN  52   4.152  -1.085   9.902
  352   HD21  ASN  52          HD21      ASN  52   5.502  -3.392  10.073
  353   HD22  ASN  52          HD22      ASN  52   4.654  -4.673   9.225
  354    HA   PRO  53           HA       PRO  53   2.362  -0.052  10.132
  355    HB2  PRO  53           HB2      PRO  53   0.572   1.737  11.123
  356    HB3  PRO  53           HB3      PRO  53   2.228   1.585  11.795
  357    HG2  PRO  53           HG2      PRO  53   1.235   3.576   9.725
  358    HG3  PRO  53           HG3      PRO  53   2.152   3.918  11.234
  359    HD2  PRO  53           HD2      PRO  53   3.411   3.679   8.823
  360    HD3  PRO  53           HD3      PRO  53   4.144   3.051  10.330
  361    H    CYS  54           H        CYS  54   0.033  -0.589   9.956
  362    HA   CYS  54           HA       CYS  54  -1.335   0.490   7.561
  363    HB2  CYS  54           HB2      CYS  54  -0.698  -2.405   8.158
  364    HB3  CYS  54           HB3      CYS  54  -1.974  -1.928   7.046
  365    HA   PRO  55           HA       PRO  55  -3.980   0.061  11.405
  366    HB2  PRO  55           HB2      PRO  55  -5.191   2.526  11.193
  367    HB3  PRO  55           HB3      PRO  55  -3.617   2.268  12.016
  368    HG2  PRO  55           HG2      PRO  55  -4.084   3.146   9.153
  369    HG3  PRO  55           HG3      PRO  55  -3.023   3.912  10.381
  370    HD2  PRO  55           HD2      PRO  55  -1.977   2.219   8.584
  371    HD3  PRO  55           HD3      PRO  55  -1.474   2.091  10.294
  372    H    ARG  56           H        ARG  56  -6.385   0.117  11.516
  373    HA   ARG  56           HA       ARG  56  -7.465  -1.084   9.102
  374    HB2  ARG  56           HB2      ARG  56  -8.731  -0.466  11.794
  375    HB3  ARG  56           HB3      ARG  56  -9.478  -1.417  10.498
  376    HG2  ARG  56           HG2      ARG  56  -7.593  -3.029  10.594
  377    HG3  ARG  56           HG3      ARG  56  -6.880  -2.108  11.940
  378    HD2  ARG  56           HD2      ARG  56  -9.635  -3.406  11.941
  379    HD3  ARG  56           HD3      ARG  56  -8.196  -4.076  12.716
  380    HE   ARG  56           HE       ARG  56  -9.844  -1.833  13.657
  381   HH11  ARG  56          HH11      ARG  56  -6.759  -3.534  13.954
  382   HH12  ARG  56          HH12      ARG  56  -6.432  -2.895  15.550
  383   HH21  ARG  56          HH21      ARG  56  -9.403  -1.045  15.745
  384   HH22  ARG  56          HH22      ARG  56  -7.922  -1.494  16.559
  385    H    CYS  57           H        CYS  57  -9.561  -0.526   8.205
  386    HA   CYS  57           HA       CYS  57 -10.365   2.305   8.373
  387    HB2  CYS  57           HB2      CYS  57  -8.652   2.281   6.638
  388    HB3  CYS  57           HB3      CYS  57  -9.426   0.905   5.844
  Start of MODEL   19
    1    HA   PCA   1           HA       PCA   1 -15.623   5.605   1.436
    2    HB2  PCA   1           HB2      PCA   1 -14.642   4.076   3.485
    3    HB3  PCA   1           HB3      PCA   1 -15.037   5.812   3.697
    4    HG2  PCA   1           HG2      PCA   1 -16.454   4.940   5.365
    5    HG3  PCA   1           HG3      PCA   1 -16.712   3.408   4.455
    6    H    ASN   2           H        ASN   2 -14.182   3.704   0.911
    7    HA   ASN   2           HA       ASN   2 -15.491   1.096   0.662
    8    HB2  ASN   2           HB2      ASN   2 -15.135   0.983  -1.764
    9    HB3  ASN   2           HB3      ASN   2 -16.239   2.303  -1.359
   10   HD21  ASN   2          HD21      ASN   2 -15.349   4.525  -1.295
   11   HD22  ASN   2          HD22      ASN   2 -14.014   4.924  -2.362
   12    H    CYS   3           H        CYS   3 -13.993  -0.583   0.025
   13    HA   CYS   3           HA       CYS   3 -11.124   0.098   0.003
   14    HB2  CYS   3           HB2      CYS   3 -10.699  -1.522   1.855
   15    HB3  CYS   3           HB3      CYS   3 -11.466  -0.013   2.333
   16    HA   PRO   4           HA       PRO   4 -12.373  -3.421  -2.726
   17    HB2  PRO   4           HB2      PRO   4 -11.215  -2.552  -5.023
   18    HB3  PRO   4           HB3      PRO   4 -12.772  -1.879  -4.429
   19    HG2  PRO   4           HG2      PRO   4  -9.991  -0.733  -4.018
   20    HG3  PRO   4           HG3      PRO   4 -11.453   0.109  -4.647
   21    HD2  PRO   4           HD2      PRO   4 -10.727   0.255  -2.028
   22    HD3  PRO   4           HD3      PRO   4 -12.448   0.156  -2.505
   23    H    THR   5           H        THR   5 -10.870  -4.814  -4.163
   24    HA   THR   5           HA       THR   5  -8.186  -5.006  -2.882
   25    HB   THR   5           HB       THR   5  -9.754  -7.192  -4.294
   26    HG1  THR   5           HG1      THR   5 -10.252  -7.883  -2.216
   27   HG21  THR   5          HG21      THR   5  -7.308  -7.558  -4.168
   28   HG22  THR   5          HG22      THR   5  -7.346  -7.227  -2.423
   29   HG23  THR   5          HG23      THR   5  -8.161  -8.669  -3.082
   30    H    ARG   6           H        ARG   6  -6.384  -4.869  -4.199
   31    HA   ARG   6           HA       ARG   6  -6.682  -5.294  -7.111
   32    HB2  ARG   6           HB2      ARG   6  -5.417  -2.798  -5.914
   33    HB3  ARG   6           HB3      ARG   6  -5.447  -3.244  -7.627
   34    HG2  ARG   6           HG2      ARG   6  -7.958  -3.160  -7.559
   35    HG3  ARG   6           HG3      ARG   6  -7.856  -2.562  -5.888
   36    HD2  ARG   6           HD2      ARG   6  -6.499  -0.641  -6.668
   37    HD3  ARG   6           HD3      ARG   6  -6.645  -1.226  -8.338
   38    HE   ARG   6           HE       ARG   6  -9.261  -1.004  -7.301
   39   HH11  ARG   6          HH11      ARG   6  -6.541   1.109  -8.108
   40   HH12  ARG   6          HH12      ARG   6  -7.562   2.489  -8.436
   41   HH21  ARG   6          HH21      ARG   6 -10.570   0.808  -7.758
   42   HH22  ARG   6          HH22      ARG   6  -9.838   2.318  -8.238
   43    H    ARG   7           H        ARG   7  -4.854  -6.080  -8.074
   44    HA   ARG   7           HA       ARG   7  -2.349  -6.330  -6.505
   45    HB2  ARG   7           HB2      ARG   7  -3.834  -8.647  -7.808
   46    HB3  ARG   7           HB3      ARG   7  -2.229  -8.743  -7.071
   47    HG2  ARG   7           HG2      ARG   7  -4.809  -8.061  -5.599
   48    HG3  ARG   7           HG3      ARG   7  -4.022  -9.641  -5.610
   49    HD2  ARG   7           HD2      ARG   7  -2.735  -7.082  -4.569
   50    HD3  ARG   7           HD3      ARG   7  -3.530  -8.301  -3.564
   51    HE   ARG   7           HE       ARG   7  -1.741  -9.861  -4.803
   52   HH11  ARG   7          HH11      ARG   7  -1.345  -6.649  -3.381
   53   HH12  ARG   7          HH12      ARG   7   0.343  -6.901  -3.002
   54   HH21  ARG   7          HH21      ARG   7   0.450 -10.180  -4.242
   55   HH22  ARG   7          HH22      ARG   7   1.343  -8.898  -3.457
   56    H    GLY   8           H        GLY   8  -0.535  -7.086  -7.928
   57    HA2  GLY   8           HA2      GLY   8   0.659  -7.113  -9.892
   58    HA3  GLY   8           HA3      GLY   8  -0.870  -7.213 -10.784
   59    H    LEU   9           H        LEU   9  -0.523  -4.524  -8.573
   60    HA   LEU   9           HA       LEU   9  -0.991  -2.603 -10.602
   61    HB2  LEU   9           HB2      LEU   9   0.129  -2.364  -7.786
   62    HB3  LEU   9           HB3      LEU   9  -0.389  -0.979  -8.769
   63    HG   LEU   9           HG       LEU   9  -2.215  -3.312  -8.038
   64   HD11  LEU   9          HD11      LEU   9  -1.976  -0.550  -6.779
   65   HD12  LEU   9          HD12      LEU   9  -3.198  -1.782  -6.386
   66   HD13  LEU   9          HD13      LEU   9  -1.483  -2.087  -6.022
   67   HD21  LEU   9          HD21      LEU   9  -3.999  -1.704  -8.687
   68   HD22  LEU   9          HD22      LEU   9  -2.762  -0.516  -9.143
   69   HD23  LEU   9          HD23      LEU   9  -2.909  -2.044 -10.050
   70    H    CYS  10           H        CYS  10   2.024  -3.996  -9.402
   71    HA   CYS  10           HA       CYS  10   3.685  -1.889 -10.513
   72    HB2  CYS  10           HB2      CYS  10   4.284  -4.633  -9.371
   73    HB3  CYS  10           HB3      CYS  10   5.522  -3.491  -9.901
   74    H    VAL  11           H        VAL  11   1.828  -4.051 -12.123
   75    HA   VAL  11           HA       VAL  11   3.894  -4.507 -14.235
   76    HB   VAL  11           HB       VAL  11   1.492  -6.246 -13.534
   77   HG11  VAL  11          HG11      VAL  11   2.051  -6.444 -15.917
   78   HG12  VAL  11          HG12      VAL  11   3.778  -6.616 -15.515
   79   HG13  VAL  11          HG13      VAL  11   2.616  -7.880 -15.055
   80   HG21  VAL  11          HG21      VAL  11   3.215  -7.872 -12.803
   81   HG22  VAL  11          HG22      VAL  11   4.477  -6.649 -13.086
   82   HG23  VAL  11          HG23      VAL  11   3.247  -6.397 -11.815
   83    H    THR  12           H        THR  12   0.913  -2.959 -13.443
   84    HA   THR  12           HA       THR  12   0.299  -2.675 -16.354
   85    HB   THR  12           HB       THR  12  -1.309  -4.085 -15.085
   86    HG1  THR  12           HG1      THR  12  -3.102  -2.967 -15.894
   87   HG21  THR  12          HG21      THR  12  -1.966  -1.510 -13.599
   88   HG22  THR  12          HG22      THR  12  -2.855  -3.044 -13.506
   89   HG23  THR  12          HG23      THR  12  -1.187  -2.957 -12.901
   90    H    SER  13           H        SER  13   0.965  -1.043 -13.350
   91    HA   SER  13           HA       SER  13   0.602   1.561 -14.742
   92    HB2  SER  13           HB2      SER  13  -0.479   0.686 -12.045
   93    HB3  SER  13           HB3      SER  13  -0.273   2.387 -12.498
   94    HG   SER  13           HG       SER  13  -1.668   1.983 -14.277
   95    H    GLY  14           H        GLY  14   2.332  -0.464 -12.484
   96    HA2  GLY  14           HA2      GLY  14   4.626  -0.172 -11.984
   97    HA3  GLY  14           HA3      GLY  14   4.488   1.553 -12.359
   98    H    LEU  15           H        LEU  15   5.805   1.482 -10.251
   99    HA   LEU  15           HA       LEU  15   4.666   0.740  -7.778
  100    HB2  LEU  15           HB2      LEU  15   7.050   1.135  -8.122
  101    HB3  LEU  15           HB3      LEU  15   6.743   2.827  -8.551
  102    HG   LEU  15           HG       LEU  15   5.953   3.309  -6.289
  103   HD11  LEU  15          HD11      LEU  15   6.668   0.396  -5.706
  104   HD12  LEU  15          HD12      LEU  15   6.240   1.624  -4.486
  105   HD13  LEU  15          HD13      LEU  15   5.032   1.085  -5.665
  106   HD21  LEU  15          HD21      LEU  15   8.353   3.528  -6.812
  107   HD22  LEU  15          HD22      LEU  15   8.123   3.032  -5.124
  108   HD23  LEU  15          HD23      LEU  15   8.625   1.837  -6.343
  109    H    THR  16           H        THR  16   4.175   3.652  -9.736
  110    HA   THR  16           HA       THR  16   3.304   5.404  -7.682
  111    HB   THR  16           HB       THR  16   2.301   5.283 -10.551
  112    HG1  THR  16           HG1      THR  16   4.600   6.532  -9.451
  113   HG21  THR  16          HG21      THR  16   1.091   6.884  -9.113
  114   HG22  THR  16          HG22      THR  16   2.640   7.583  -8.581
  115   HG23  THR  16          HG23      THR  16   2.120   7.731 -10.278
  116    H    ALA  17           H        ALA  17   1.528   2.847  -9.480
  117    HA   ALA  17           HA       ALA  17  -1.007   3.674  -8.263
  118    HB1  ALA  17           HB1      ALA  17  -0.253   1.249  -9.936
  119    HB2  ALA  17           HB2      ALA  17  -1.908   1.723  -9.478
  120    HB3  ALA  17           HB3      ALA  17  -0.953   2.779 -10.540
  121    H    CYS  18           H        CYS  18   1.559   1.292  -7.688
  122    HA   CYS  18           HA       CYS  18   0.089  -0.283  -5.778
  123    HB2  CYS  18           HB2      CYS  18   2.099  -1.095  -6.920
  124    HB3  CYS  18           HB3      CYS  18   3.050   0.219  -6.220
  125    H    ARG  19           H        ARG  19   1.926   2.757  -5.642
  126    HA   ARG  19           HA       ARG  19   1.916   2.863  -2.725
  127    HB2  ARG  19           HB2      ARG  19   3.661   3.849  -4.273
  128    HB3  ARG  19           HB3      ARG  19   2.474   5.077  -4.743
  129    HG2  ARG  19           HG2      ARG  19   2.274   5.804  -2.389
  130    HG3  ARG  19           HG3      ARG  19   3.423   4.540  -1.895
  131    HD2  ARG  19           HD2      ARG  19   5.154   5.561  -3.335
  132    HD3  ARG  19           HD3      ARG  19   4.024   6.836  -3.807
  133    HE   ARG  19           HE       ARG  19   5.278   6.426  -1.135
  134   HH11  ARG  19          HH11      ARG  19   3.228   8.403  -3.233
  135   HH12  ARG  19          HH12      ARG  19   3.271   9.787  -2.164
  136   HH21  ARG  19          HH21      ARG  19   5.330   8.250   0.226
  137   HH22  ARG  19          HH22      ARG  19   4.464   9.699  -0.218
  138    H    ASN  20           H        ASN  20  -0.010   4.223  -5.396
  139    HA   ASN  20           HA       ASN  20  -1.591   5.913  -3.669
  140    HB2  ASN  20           HB2      ASN  20  -2.025   4.867  -6.497
  141    HB3  ASN  20           HB3      ASN  20  -3.090   6.027  -5.704
  142   HD21  ASN  20          HD21      ASN  20  -1.969   6.777  -8.053
  143   HD22  ASN  20          HD22      ASN  20  -0.711   7.967  -7.793
  144    H    HIS  21           H        HIS  21  -1.648   2.494  -4.391
  145    HA   HIS  21           HA       HIS  21  -4.449   2.207  -3.540
  146    HB2  HIS  21           HB2      HIS  21  -3.480   0.806  -5.319
  147    HB3  HIS  21           HB3      HIS  21  -2.297   0.158  -4.173
  148    HD1  HIS  21           HD1      HIS  21  -6.174   0.196  -4.559
  149    HD2  HIS  21           HD2      HIS  21  -2.994  -1.968  -2.868
  150    HE1  HIS  21           HE1      HIS  21  -7.172  -1.954  -3.620
  151    H    CYS  22           H        CYS  22  -1.151   1.711  -2.244
  152    HA   CYS  22           HA       CYS  22  -2.080   0.503   0.215
  153    HB2  CYS  22           HB2      CYS  22   0.530   1.781  -0.628
  154    HB3  CYS  22           HB3      CYS  22   0.291   1.015   0.944
  155    H    ARG  23           H        ARG  23  -1.534   3.833  -0.891
  156    HA   ARG  23           HA       ARG  23  -1.704   4.915   1.831
  157    HB2  ARG  23           HB2      ARG  23  -1.460   6.180  -0.917
  158    HB3  ARG  23           HB3      ARG  23  -1.671   7.123   0.575
  159    HG2  ARG  23           HG2      ARG  23   0.327   6.098   1.557
  160    HG3  ARG  23           HG3      ARG  23   0.573   5.115   0.104
  161    HD2  ARG  23           HD2      ARG  23   2.041   7.103   0.084
  162    HD3  ARG  23           HD3      ARG  23   0.887   7.140  -1.252
  163    HE   ARG  23           HE       ARG  23  -0.103   9.029  -0.358
  164   HH11  ARG  23          HH11      ARG  23   1.963   7.578   2.137
  165   HH12  ARG  23          HH12      ARG  23   1.836   8.973   3.185
  166   HH21  ARG  23          HH21      ARG  23  -0.246  10.798   1.045
  167   HH22  ARG  23          HH22      ARG  23   0.576  10.769   2.584
  168    H    SER  24           H        SER  24  -3.964   3.570  -0.077
  169    HA   SER  24           HA       SER  24  -6.118   5.283   1.079
  170    HB2  SER  24           HB2      SER  24  -6.056   3.867  -1.614
  171    HB3  SER  24           HB3      SER  24  -7.489   4.637  -0.892
  172    HG   SER  24           HG       SER  24  -6.366   6.028  -2.332
  173    H    CYS  25           H        CYS  25  -8.174   3.947   1.440
  174    HA   CYS  25           HA       CYS  25  -7.364   1.597   2.881
  175    HB2  CYS  25           HB2      CYS  25 -10.167   2.561   2.225
  176    HB3  CYS  25           HB3      CYS  25  -9.704   1.391   3.467
  177    H    HIS  26           H        HIS  26  -7.410  -0.509   2.347
  178    HA   HIS  26           HA       HIS  26  -8.818  -1.407  -0.098
  179    HB2  HIS  26           HB2      HIS  26  -6.694  -2.559  -0.804
  180    HB3  HIS  26           HB3      HIS  26  -6.616  -0.790  -0.906
  181    HD1  HIS  26           HD1      HIS  26  -4.842   0.421   0.606
  182    HD2  HIS  26           HD2      HIS  26  -5.311  -3.711   1.308
  183    HE1  HIS  26           HE1      HIS  26  -2.964  -0.267   2.224
  184    HE2  HIS  26           HE2      HIS  26  -3.279  -2.777   2.657
  185    H    ARG  27           H        ARG  27  -8.685  -3.877  -0.208
  186    HA   ARG  27           HA       ARG  27  -9.456  -4.857   2.406
  187    HB2  ARG  27           HB2      ARG  27 -10.266  -5.388  -0.097
  188    HB3  ARG  27           HB3      ARG  27  -9.095  -6.694   0.074
  189    HG2  ARG  27           HG2      ARG  27 -11.462  -6.111   1.924
  190    HG3  ARG  27           HG3      ARG  27 -11.367  -7.402   0.710
  191    HD2  ARG  27           HD2      ARG  27  -9.460  -8.395   1.940
  192    HD3  ARG  27           HD3      ARG  27  -9.633  -7.138   3.192
  193    HE   ARG  27           HE       ARG  27 -12.133  -8.190   3.109
  194   HH11  ARG  27          HH11      ARG  27  -8.945  -9.681   3.370
  195   HH12  ARG  27          HH12      ARG  27  -9.530 -11.067   4.267
  196   HH21  ARG  27          HH21      ARG  27 -12.874  -9.988   4.298
  197   HH22  ARG  27          HH22      ARG  27 -11.754 -11.227   4.808
  198    H    GLY  28           H        GLY  28  -8.183  -5.799   3.885
  199    HA2  GLY  28           HA2      GLY  28  -5.408  -6.544   3.236
  200    HA3  GLY  28           HA3      GLY  28  -6.157  -6.419   4.840
  201    H    ASP  29           H        ASP  29  -5.141  -8.497   5.310
  202    HA   ASP  29           HA       ASP  29  -6.017 -10.834   3.786
  203    HB2  ASP  29           HB2      ASP  29  -3.722 -10.546   4.687
  204    HB3  ASP  29           HB3      ASP  29  -4.376 -10.584   6.330
  205    H    VAL  30           H        VAL  30  -7.098  -9.089   6.606
  206    HA   VAL  30           HA       VAL  30  -9.035 -11.278   7.178
  207    HB   VAL  30           HB       VAL  30  -7.122 -11.337   8.765
  208   HG11  VAL  30          HG11      VAL  30  -6.867  -9.563  10.438
  209   HG12  VAL  30          HG12      VAL  30  -6.564  -8.929   8.807
  210   HG13  VAL  30          HG13      VAL  30  -8.107  -8.585   9.625
  211   HG21  VAL  30          HG21      VAL  30  -9.385 -12.083   9.449
  212   HG22  VAL  30          HG22      VAL  30  -8.435 -11.434  10.806
  213   HG23  VAL  30          HG23      VAL  30  -9.712 -10.446  10.079
  214    H    GLY  31           H        GLY  31  -8.456  -7.961   6.540
  215    HA2  GLY  31           HA2      GLY  31 -11.192  -7.260   6.467
  216    HA3  GLY  31           HA3      GLY  31 -10.503  -6.669   7.995
  217    H    CYS  32           H        CYS  32 -11.327  -4.652   6.404
  218    HA   CYS  32           HA       CYS  32  -9.320  -3.939   4.452
  219    HB2  CYS  32           HB2      CYS  32 -11.650  -2.416   5.645
  220    HB3  CYS  32           HB3      CYS  32 -10.544  -1.751   4.442
  221    H    VAL  33           H        VAL  33  -7.737  -2.454   4.491
  222    HA   VAL  33           HA       VAL  33  -7.044  -1.104   7.034
  223    HB   VAL  33           HB       VAL  33  -4.706  -1.910   6.830
  224   HG11  VAL  33          HG11      VAL  33  -6.745  -4.153   7.138
  225   HG12  VAL  33          HG12      VAL  33  -5.075  -4.152   7.739
  226   HG13  VAL  33          HG13      VAL  33  -6.248  -3.000   8.405
  227   HG21  VAL  33          HG21      VAL  33  -4.204  -3.887   5.466
  228   HG22  VAL  33          HG22      VAL  33  -5.847  -3.858   4.787
  229   HG23  VAL  33          HG23      VAL  33  -4.722  -2.521   4.447
  230    H    ARG  34           H        ARG  34  -5.184   0.366   6.731
  231    HA   ARG  34           HA       ARG  34  -4.716   1.316   3.964
  232    HB2  ARG  34           HB2      ARG  34  -5.006   3.671   4.789
  233    HB3  ARG  34           HB3      ARG  34  -6.509   2.733   4.744
  234    HG2  ARG  34           HG2      ARG  34  -6.313   2.280   7.177
  235    HG3  ARG  34           HG3      ARG  34  -4.816   3.233   7.233
  236    HD2  ARG  34           HD2      ARG  34  -5.996   5.248   6.644
  237    HD3  ARG  34           HD3      ARG  34  -7.481   4.342   6.279
  238    HE   ARG  34           HE       ARG  34  -7.107   3.653   8.854
  239   HH11  ARG  34          HH11      ARG  34  -6.993   6.822   7.283
  240   HH12  ARG  34          HH12      ARG  34  -7.543   7.668   8.715
  241   HH21  ARG  34          HH21      ARG  34  -7.802   4.785  10.692
  242   HH22  ARG  34          HH22      ARG  34  -7.975   6.522  10.640
  243    H    CYS  35           H        CYS  35  -2.607   2.235   3.731
  244    HA   CYS  35           HA       CYS  35  -0.847   1.836   6.111
  245    HB2  CYS  35           HB2      CYS  35  -0.235   1.171   3.227
  246    HB3  CYS  35           HB3      CYS  35   0.817   0.894   4.608
  247    H    SER  36           H        SER  36   1.525   2.651   5.161
  248    HA   SER  36           HA       SER  36   1.025   5.563   4.812
  249    HB2  SER  36           HB2      SER  36   2.162   4.682   6.868
  250    HB3  SER  36           HB3      SER  36   3.493   4.129   5.836
  251    HG   SER  36           HG       SER  36   3.856   6.234   6.702
  252    H    ASN  37           H        ASN  37   2.920   2.851   3.444
  253    HA   ASN  37           HA       ASN  37   3.475   4.472   1.058
  254    HB2  ASN  37           HB2      ASN  37   5.288   4.941   2.820
  255    HB3  ASN  37           HB3      ASN  37   5.785   3.257   2.629
  256   HD21  ASN  37          HD21      ASN  37   7.853   4.394   2.031
  257   HD22  ASN  37          HD22      ASN  37   8.067   4.832   0.347
  258    H    ALA  38           H        ALA  38   5.139   2.875  -0.356
  259    HA   ALA  38           HA       ALA  38   4.387   0.059  -0.049
  260    HB1  ALA  38           HB1      ALA  38   3.269  -0.084  -2.198
  261    HB2  ALA  38           HB2      ALA  38   2.453   1.170  -1.245
  262    HB3  ALA  38           HB3      ALA  38   3.596   1.635  -2.526
  263    H    GLN  39           H        GLN  39   5.351  -1.276  -1.786
  264    HA   GLN  39           HA       GLN  39   7.369  -0.070  -3.512
  265    HB2  GLN  39           HB2      GLN  39   9.197  -1.480  -2.718
  266    HB3  GLN  39           HB3      GLN  39   8.640  -0.409  -1.421
  267    HG2  GLN  39           HG2      GLN  39   7.377  -2.223  -0.399
  268    HG3  GLN  39           HG3      GLN  39   7.758  -3.308  -1.751
  269   HE21  GLN  39          HE21      GLN  39   9.463  -1.227   0.668
  270   HE22  GLN  39          HE22      GLN  39  10.770  -2.365   0.940
  271    H    CYS  40           H        CYS  40   8.238  -1.729  -5.040
  272    HA   CYS  40           HA       CYS  40   6.196  -3.807  -5.562
  273    HB2  CYS  40           HB2      CYS  40   8.476  -2.747  -7.254
  274    HB3  CYS  40           HB3      CYS  40   7.343  -4.007  -7.756
  275    H    THR  41           H        THR  41   6.694  -5.986  -5.664
  276    HA   THR  41           HA       THR  41   9.377  -6.816  -4.655
  277    HB   THR  41           HB       THR  41   8.239  -8.414  -3.161
  278    HG1  THR  41           HG1      THR  41   6.014  -8.114  -2.817
  279   HG21  THR  41          HG21      THR  41   7.509  -6.801  -1.475
  280   HG22  THR  41          HG22      THR  41   8.941  -6.182  -2.320
  281   HG23  THR  41          HG23      THR  41   7.325  -5.541  -2.709
  282    H    GLY  42           H        GLY  42   9.323  -9.398  -4.634
  283    HA2  GLY  42           HA2      GLY  42   8.791 -11.376  -5.832
  284    HA3  GLY  42           HA3      GLY  42   8.134 -10.408  -7.160
  285    H    PHE  43           H        PHE  43   9.717 -12.270  -8.047
  286    HA   PHE  43           HA       PHE  43  12.542 -11.770  -7.917
  287    HB2  PHE  43           HB2      PHE  43  11.596 -13.974  -8.331
  288    HB3  PHE  43           HB3      PHE  43  10.798 -13.393  -9.792
  289    HD1  PHE  43           HD2      PHE  43  14.290 -13.408  -8.353
  290    HD2  PHE  43           HD1      PHE  43  11.775 -14.037 -11.788
  291    HE1  PHE  43           HE2      PHE  43  16.273 -14.045  -9.694
  292    HE2  PHE  43           HE1      PHE  43  13.761 -14.668 -13.128
  293    HZ   PHE  43           HZ       PHE  43  16.011 -14.673 -12.082
  294    H    LEU  44           H        LEU  44   9.993 -10.331  -9.780
  295    HA   LEU  44           HA       LEU  44  12.013  -8.931 -11.455
  296    HB2  LEU  44           HB2      LEU  44   9.444 -10.248 -12.401
  297    HB3  LEU  44           HB3      LEU  44  10.388  -9.116 -13.381
  298    HG   LEU  44           HG       LEU  44  11.465 -11.740 -12.270
  299   HD11  LEU  44          HD11      LEU  44  10.494 -10.998 -15.060
  300   HD12  LEU  44          HD12      LEU  44  11.285 -12.529 -14.608
  301   HD13  LEU  44          HD13      LEU  44   9.696 -12.118 -13.930
  302   HD21  LEU  44          HD21      LEU  44  13.235 -10.050 -12.716
  303   HD22  LEU  44          HD22      LEU  44  13.284 -11.355 -13.914
  304   HD23  LEU  44          HD23      LEU  44  12.563  -9.785 -14.345
  305    H    GLY  45           H        GLY  45  10.080  -8.387  -9.004
  306    HA2  GLY  45           HA2      GLY  45   9.116  -6.439  -8.228
  307    HA3  GLY  45           HA3      GLY  45   9.550  -5.644  -9.752
  308    H    THR  46           H        THR  46   7.751  -8.598 -10.080
  309    HA   THR  46           HA       THR  46   5.573  -7.126 -11.313
  310    HB   THR  46           HB       THR  46   4.769  -9.462 -11.861
  311    HG1  THR  46           HG1      THR  46   6.222 -11.125 -11.366
  312   HG21  THR  46          HG21      THR  46   6.220  -8.189 -13.394
  313   HG22  THR  46          HG22      THR  46   7.665  -8.786 -12.546
  314   HG23  THR  46          HG23      THR  46   6.622  -9.923 -13.433
  315    H    THR  47           H        THR  47   6.042  -7.519  -8.146
  316    HA   THR  47           HA       THR  47   3.149  -8.040  -7.603
  317    HB   THR  47           HB       THR  47   5.522  -8.806  -5.866
  318    HG1  THR  47           HG1      THR  47   5.306 -10.091  -7.717
  319   HG21  THR  47          HG21      THR  47   2.533  -9.338  -5.618
  320   HG22  THR  47          HG22      THR  47   3.786 -10.121  -4.630
  321   HG23  THR  47          HG23      THR  47   3.540  -8.371  -4.504
  322    H    CYS  48           H        CYS  48   2.265  -6.876  -5.792
  323    HA   CYS  48           HA       CYS  48   3.745  -4.359  -5.164
  324    HB2  CYS  48           HB2      CYS  48   1.819  -3.896  -6.527
  325    HB3  CYS  48           HB3      CYS  48   0.798  -4.955  -5.545
  326    H    THR  49           H        THR  49   3.934  -3.732  -3.060
  327    HA   THR  49           HA       THR  49   2.527  -5.278  -0.955
  328    HB   THR  49           HB       THR  49   5.544  -4.954  -1.166
  329    HG1  THR  49           HG1      THR  49   4.706  -6.644  -2.391
  330   HG21  THR  49          HG21      THR  49   4.883  -4.736   1.172
  331   HG22  THR  49          HG22      THR  49   3.804  -6.152   1.040
  332   HG23  THR  49          HG23      THR  49   5.569  -6.343   0.923
  333    H    CYS  50           H        CYS  50   2.200  -4.099   0.950
  334    HA   CYS  50           HA       CYS  50   2.735  -1.201   0.690
  335    HB2  CYS  50           HB2      CYS  50   0.904  -2.685   2.592
  336    HB3  CYS  50           HB3      CYS  50   1.026  -0.936   2.384
  337    H    ILE  51           H        ILE  51   3.268   0.015   2.674
  338    HA   ILE  51           HA       ILE  51   5.314  -1.432   4.282
  339    HB   ILE  51           HB       ILE  51   5.042   1.497   3.542
  340   HG12  ILE  51          HG12      ILE  51   5.710   0.144   1.605
  341   HG13  ILE  51          HG13      ILE  51   7.044   1.156   2.159
  342   HG21  ILE  51          HG21      ILE  51   6.108   1.347   5.687
  343   HG22  ILE  51          HG22      ILE  51   7.169   0.027   5.140
  344   HG23  ILE  51          HG23      ILE  51   7.359   1.673   4.481
  345   HD11  ILE  51          HD11      ILE  51   7.820  -1.085   1.578
  346   HD12  ILE  51          HD12      ILE  51   8.043  -0.812   3.316
  347   HD13  ILE  51          HD13      ILE  51   6.688  -1.821   2.729
  348    H    ASN  52           H        ASN  52   5.402  -1.134   6.504
  349    HA   ASN  52           HA       ASN  52   2.856  -0.678   7.761
  350    HB2  ASN  52           HB2      ASN  52   4.071  -1.282   9.826
  351    HB3  ASN  52           HB3      ASN  52   4.327  -2.432   8.517
  352   HD21  ASN  52          HD21      ASN  52   6.055  -2.658  10.499
  353   HD22  ASN  52          HD22      ASN  52   7.612  -1.955  10.103
  354    HA   PRO  53           HA       PRO  53   2.331  -0.246  10.071
  355    HB2  PRO  53           HB2      PRO  53   0.552   1.424  11.219
  356    HB3  PRO  53           HB3      PRO  53   2.236   1.303  11.825
  357    HG2  PRO  53           HG2      PRO  53   1.113   3.353   9.889
  358    HG3  PRO  53           HG3      PRO  53   2.046   3.660  11.393
  359    HD2  PRO  53           HD2      PRO  53   3.255   3.581   8.945
  360    HD3  PRO  53           HD3      PRO  53   4.062   2.923  10.395
  361    H    CYS  54           H        CYS  54   0.038  -0.825   9.871
  362    HA   CYS  54           HA       CYS  54  -1.366   0.346   7.536
  363    HB2  CYS  54           HB2      CYS  54  -0.677  -2.559   8.014
  364    HB3  CYS  54           HB3      CYS  54  -1.969  -2.057   6.926
  365    HA   PRO  55           HA       PRO  55  -3.970  -0.344  11.399
  366    HB2  PRO  55           HB2      PRO  55  -5.111   2.150  11.474
  367    HB3  PRO  55           HB3      PRO  55  -3.515   1.782  12.197
  368    HG2  PRO  55           HG2      PRO  55  -4.072   2.932   9.441
  369    HG3  PRO  55           HG3      PRO  55  -2.957   3.573  10.697
  370    HD2  PRO  55           HD2      PRO  55  -1.997   2.028   8.719
  371    HD3  PRO  55           HD3      PRO  55  -1.445   1.751  10.393
  372    H    ARG  56           H        ARG  56  -6.370  -0.099  11.602
  373    HA   ARG  56           HA       ARG  56  -7.659  -1.152   9.254
  374    HB2  ARG  56           HB2      ARG  56  -8.719  -0.221  11.951
  375    HB3  ARG  56           HB3      ARG  56  -9.702  -1.054  10.732
  376    HG2  ARG  56           HG2      ARG  56  -7.190  -2.234  11.980
  377    HG3  ARG  56           HG3      ARG  56  -8.842  -2.549  12.546
  378    HD2  ARG  56           HD2      ARG  56  -9.439  -3.458  10.329
  379    HD3  ARG  56           HD3      ARG  56  -7.797  -3.145   9.747
  380    HE   ARG  56           HE       ARG  56  -6.984  -4.954  10.978
  381   HH11  ARG  56          HH11      ARG  56 -10.393  -4.402  11.721
  382   HH12  ARG  56          HH12      ARG  56 -10.585  -5.941  12.535
  383   HH21  ARG  56          HH21      ARG  56  -7.254  -6.937  12.067
  384   HH22  ARG  56          HH22      ARG  56  -8.812  -7.367  12.728
  385    H    CYS  57           H        CYS  57  -9.710  -0.356   8.422
  386    HA   CYS  57           HA       CYS  57 -10.201   2.540   8.553
  387    HB2  CYS  57           HB2      CYS  57  -8.564   2.319   6.753
  388    HB3  CYS  57           HB3      CYS  57  -9.520   1.046   5.992
  Start of MODEL   20
    1    HA   PCA   1           HA       PCA   1 -16.539  -1.638  -1.515
    2    HB2  PCA   1           HB2      PCA   1 -18.369   0.783  -1.586
    3    HB3  PCA   1           HB3      PCA   1 -18.072  -0.430  -2.886
    4    HG2  PCA   1           HG2      PCA   1 -19.385  -2.066  -1.762
    5    HG3  PCA   1           HG3      PCA   1 -20.247  -0.585  -1.204
    6    H    ASN   2           H        ASN   2 -16.176   0.492   1.084
    7    HA   ASN   2           HA       ASN   2 -14.659   2.572  -0.264
    8    HB2  ASN   2           HB2      ASN   2 -15.027   1.836   2.669
    9    HB3  ASN   2           HB3      ASN   2 -14.161   3.264   2.105
   10   HD21  ASN   2          HD21      ASN   2 -16.260   3.638   3.813
   11   HD22  ASN   2          HD22      ASN   2 -17.614   4.341   2.953
   12    H    CYS   3           H        CYS   3 -13.948  -0.602   0.148
   13    HA   CYS   3           HA       CYS   3 -11.060  -0.085   0.081
   14    HB2  CYS   3           HB2      CYS   3 -10.707  -1.936   1.765
   15    HB3  CYS   3           HB3      CYS   3 -11.244  -0.381   2.396
   16    HA   PRO   4           HA       PRO   4 -12.410  -3.370  -2.857
   17    HB2  PRO   4           HB2      PRO   4 -11.093  -2.454  -5.039
   18    HB3  PRO   4           HB3      PRO   4 -12.622  -1.699  -4.480
   19    HG2  PRO   4           HG2      PRO   4  -9.786  -0.799  -3.885
   20    HG3  PRO   4           HG3      PRO   4 -11.143   0.194  -4.518
   21    HD2  PRO   4           HD2      PRO   4 -10.526   0.122  -1.866
   22    HD3  PRO   4           HD3      PRO   4 -12.229   0.216  -2.421
   23    H    THR   5           H        THR   5 -10.901  -4.750  -4.306
   24    HA   THR   5           HA       THR   5  -8.277  -5.134  -2.928
   25    HB   THR   5           HB       THR   5  -9.994  -7.239  -4.293
   26    HG1  THR   5           HG1      THR   5 -10.500  -7.865  -2.197
   27   HG21  THR   5          HG21      THR   5  -7.563  -7.408  -2.448
   28   HG22  THR   5          HG22      THR   5  -8.485  -8.794  -3.072
   29   HG23  THR   5          HG23      THR   5  -7.577  -7.759  -4.198
   30    H    ARG   6           H        ARG   6  -6.511  -4.902  -4.220
   31    HA   ARG   6           HA       ARG   6  -6.739  -5.440  -7.132
   32    HB2  ARG   6           HB2      ARG   6  -5.595  -2.913  -5.880
   33    HB3  ARG   6           HB3      ARG   6  -5.432  -3.360  -7.582
   34    HG2  ARG   6           HG2      ARG   6  -8.089  -2.864  -6.171
   35    HG3  ARG   6           HG3      ARG   6  -7.223  -1.678  -7.153
   36    HD2  ARG   6           HD2      ARG   6  -8.233  -4.374  -8.165
   37    HD3  ARG   6           HD3      ARG   6  -9.029  -2.814  -8.417
   38    HE   ARG   6           HE       ARG   6  -6.510  -2.364  -9.402
   39   HH11  ARG   6          HH11      ARG   6  -8.936  -4.873  -9.990
   40   HH12  ARG   6          HH12      ARG   6  -8.435  -5.132 -11.644
   41   HH21  ARG   6          HH21      ARG   6  -5.872  -2.730 -11.560
   42   HH22  ARG   6          HH22      ARG   6  -6.708  -3.918 -12.530
   43    H    ARG   7           H        ARG   7  -4.846  -6.148  -8.075
   44    HA   ARG   7           HA       ARG   7  -2.373  -6.319  -6.451
   45    HB2  ARG   7           HB2      ARG   7  -3.757  -8.688  -7.788
   46    HB3  ARG   7           HB3      ARG   7  -2.152  -8.726  -7.050
   47    HG2  ARG   7           HG2      ARG   7  -4.763  -8.154  -5.584
   48    HG3  ARG   7           HG3      ARG   7  -3.906  -9.695  -5.598
   49    HD2  ARG   7           HD2      ARG   7  -2.770  -7.088  -4.517
   50    HD3  ARG   7           HD3      ARG   7  -3.479  -8.385  -3.538
   51    HE   ARG   7           HE       ARG   7  -1.585  -9.787  -4.784
   52   HH11  ARG   7          HH11      ARG   7  -1.391  -6.535  -3.398
   53   HH12  ARG   7          HH12      ARG   7   0.322  -6.677  -3.048
   54   HH21  ARG   7          HH21      ARG   7   0.631  -9.942  -4.238
   55   HH22  ARG   7          HH22      ARG   7   1.442  -8.578  -3.499
   56    H    GLY   8           H        GLY   8  -0.512  -7.048  -7.863
   57    HA2  GLY   8           HA2      GLY   8   0.710  -7.027  -9.803
   58    HA3  GLY   8           HA3      GLY   8  -0.799  -7.135 -10.724
   59    H    LEU   9           H        LEU   9  -0.539  -4.481  -8.466
   60    HA   LEU   9           HA       LEU   9  -1.001  -2.537 -10.484
   61    HB2  LEU   9           HB2      LEU   9   0.045  -2.296  -7.631
   62    HB3  LEU   9           HB3      LEU   9  -0.519  -0.936  -8.617
   63    HG   LEU   9           HG       LEU   9  -2.248  -3.347  -7.909
   64   HD11  LEU   9          HD11      LEU   9  -2.164  -0.563  -6.698
   65   HD12  LEU   9          HD12      LEU   9  -3.332  -1.848  -6.290
   66   HD13  LEU   9          HD13      LEU   9  -1.623  -2.067  -5.898
   67   HD21  LEU   9          HD21      LEU   9  -2.874  -0.612  -9.100
   68   HD22  LEU   9          HD22      LEU   9  -2.966  -2.164  -9.959
   69   HD23  LEU   9          HD23      LEU   9  -4.084  -1.818  -8.621
   70    H    CYS  10           H        CYS  10   2.004  -3.920  -9.318
   71    HA   CYS  10           HA       CYS  10   3.650  -1.735 -10.298
   72    HB2  CYS  10           HB2      CYS  10   4.267  -4.541  -9.331
   73    HB3  CYS  10           HB3      CYS  10   5.503  -3.391  -9.846
   74    H    VAL  11           H        VAL  11   1.773  -3.837 -11.989
   75    HA   VAL  11           HA       VAL  11   3.708  -3.912 -14.260
   76    HB   VAL  11           HB       VAL  11   1.573  -5.972 -13.563
   77   HG11  VAL  11          HG11      VAL  11   1.920  -5.788 -16.001
   78   HG12  VAL  11          HG12      VAL  11   3.682  -5.893 -15.766
   79   HG13  VAL  11          HG13      VAL  11   2.641  -7.283 -15.386
   80   HG21  VAL  11          HG21      VAL  11   3.492  -6.114 -12.029
   81   HG22  VAL  11          HG22      VAL  11   3.519  -7.467 -13.173
   82   HG23  VAL  11          HG23      VAL  11   4.612  -6.082 -13.413
   83    H    THR  12           H        THR  12   0.422  -3.236 -13.099
   84    HA   THR  12           HA       THR  12  -0.561  -2.763 -15.826
   85    HB   THR  12           HB       THR  12  -2.663  -2.151 -14.667
   86    HG1  THR  12           HG1      THR  12  -2.739  -2.429 -12.429
   87   HG21  THR  12          HG21      THR  12  -2.174  -4.509 -15.279
   88   HG22  THR  12          HG22      THR  12  -1.425  -4.768 -13.691
   89   HG23  THR  12          HG23      THR  12  -3.158  -4.404 -13.801
   90    H    SER  13           H        SER  13   1.056  -0.949 -13.367
   91    HA   SER  13           HA       SER  13   0.841   1.455 -15.059
   92    HB2  SER  13           HB2      SER  13  -1.091   1.546 -13.432
   93    HB3  SER  13           HB3      SER  13   0.091   1.512 -12.109
   94    HG   SER  13           HG       SER  13  -0.545   3.657 -12.744
   95    H    GLY  14           H        GLY  14   2.046  -0.075 -12.062
   96    HA2  GLY  14           HA2      GLY  14   4.564  -0.224 -11.960
   97    HA3  GLY  14           HA3      GLY  14   4.573   1.506 -12.312
   98    H    LEU  15           H        LEU  15   5.838   1.491 -10.238
   99    HA   LEU  15           HA       LEU  15   4.740   0.767  -7.746
  100    HB2  LEU  15           HB2      LEU  15   7.106   1.213  -8.113
  101    HB3  LEU  15           HB3      LEU  15   6.764   2.890  -8.567
  102    HG   LEU  15           HG       LEU  15   5.988   3.390  -6.295
  103   HD11  LEU  15          HD11      LEU  15   6.790   0.509  -5.683
  104   HD12  LEU  15          HD12      LEU  15   6.342   1.743  -4.474
  105   HD13  LEU  15          HD13      LEU  15   5.134   1.161  -5.633
  106   HD21  LEU  15          HD21      LEU  15   8.695   1.995  -6.364
  107   HD22  LEU  15          HD22      LEU  15   8.365   3.668  -6.870
  108   HD23  LEU  15          HD23      LEU  15   8.164   3.201  -5.167
  109    H    THR  16           H        THR  16   4.159   3.636  -9.743
  110    HA   THR  16           HA       THR  16   3.267   5.385  -7.704
  111    HB   THR  16           HB       THR  16   2.283   5.235 -10.574
  112    HG1  THR  16           HG1      THR  16   4.040   6.603 -10.966
  113   HG21  THR  16          HG21      THR  16   2.530   7.535  -8.588
  114   HG22  THR  16          HG22      THR  16   2.058   7.698 -10.293
  115   HG23  THR  16          HG23      THR  16   1.016   6.806  -9.166
  116    H    ALA  17           H        ALA  17   1.458   2.874  -9.598
  117    HA   ALA  17           HA       ALA  17  -1.049   3.648  -8.340
  118    HB1  ALA  17           HB1      ALA  17  -0.292   1.198  -9.991
  119    HB2  ALA  17           HB2      ALA  17  -1.938   1.683  -9.543
  120    HB3  ALA  17           HB3      ALA  17  -0.977   2.719 -10.619
  121    H    CYS  18           H        CYS  18   1.569   1.347  -7.714
  122    HA   CYS  18           HA       CYS  18   0.113  -0.276  -5.833
  123    HB2  CYS  18           HB2      CYS  18   2.154  -1.032  -6.955
  124    HB3  CYS  18           HB3      CYS  18   3.073   0.291  -6.254
  125    H    ARG  19           H        ARG  19   1.912   2.803  -5.644
  126    HA   ARG  19           HA       ARG  19   1.878   2.844  -2.732
  127    HB2  ARG  19           HB2      ARG  19   3.628   3.874  -4.247
  128    HB3  ARG  19           HB3      ARG  19   2.424   5.102  -4.694
  129    HG2  ARG  19           HG2      ARG  19   2.212   5.771  -2.321
  130    HG3  ARG  19           HG3      ARG  19   3.372   4.510  -1.855
  131    HD2  ARG  19           HD2      ARG  19   5.095   5.584  -3.286
  132    HD3  ARG  19           HD3      ARG  19   3.944   6.868  -3.694
  133    HE   ARG  19           HE       ARG  19   5.206   6.369  -1.044
  134   HH11  ARG  19          HH11      ARG  19   3.162   8.418  -3.077
  135   HH12  ARG  19          HH12      ARG  19   3.220   9.774  -1.972
  136   HH21  ARG  19          HH21      ARG  19   5.277   8.148   0.367
  137   HH22  ARG  19          HH22      ARG  19   4.410   9.615  -0.026
  138    H    ASN  20           H        ASN  20  -0.048   4.216  -5.391
  139    HA   ASN  20           HA       ASN  20  -1.622   5.914  -3.668
  140    HB2  ASN  20           HB2      ASN  20  -2.110   4.821  -6.468
  141    HB3  ASN  20           HB3      ASN  20  -3.143   6.019  -5.682
  142   HD21  ASN  20          HD21      ASN  20  -2.043   6.676  -8.076
  143   HD22  ASN  20          HD22      ASN  20  -0.781   7.871  -7.856
  144    H    HIS  21           H        HIS  21  -1.729   2.489  -4.436
  145    HA   HIS  21           HA       HIS  21  -4.496   2.189  -3.496
  146    HB2  HIS  21           HB2      HIS  21  -3.618   0.830  -5.331
  147    HB3  HIS  21           HB3      HIS  21  -2.345   0.197  -4.279
  148    HD1  HIS  21           HD1      HIS  21  -6.235   0.118  -4.415
  149    HD2  HIS  21           HD2      HIS  21  -2.889  -1.977  -2.972
  150    HE1  HIS  21           HE1      HIS  21  -7.114  -2.067  -3.430
  151    H    CYS  22           H        CYS  22  -1.172   1.740  -2.289
  152    HA   CYS  22           HA       CYS  22  -2.028   0.442   0.167
  153    HB2  CYS  22           HB2      CYS  22   0.541   1.760  -0.721
  154    HB3  CYS  22           HB3      CYS  22   0.348   1.015   0.860
  155    H    ARG  23           H        ARG  23  -1.613   3.823  -0.883
  156    HA   ARG  23           HA       ARG  23  -1.707   4.801   1.878
  157    HB2  ARG  23           HB2      ARG  23  -1.615   6.135  -0.842
  158    HB3  ARG  23           HB3      ARG  23  -1.818   7.047   0.666
  159    HG2  ARG  23           HG2      ARG  23   0.254   6.096   1.572
  160    HG3  ARG  23           HG3      ARG  23   0.479   5.119   0.116
  161    HD2  ARG  23           HD2      ARG  23   1.885   7.141   0.033
  162    HD3  ARG  23           HD3      ARG  23   0.674   7.163  -1.251
  163    HE   ARG  23           HE       ARG  23  -0.323   9.014  -0.300
  164   HH11  ARG  23          HH11      ARG  23   1.915   7.602   2.057
  165   HH12  ARG  23          HH12      ARG  23   1.796   8.964   3.145
  166   HH21  ARG  23          HH21      ARG  23  -0.460  10.759   1.165
  167   HH22  ARG  23          HH22      ARG  23   0.450  10.719   2.656
  168    H    SER  24           H        SER  24  -4.008   3.884  -0.535
  169    HA   SER  24           HA       SER  24  -6.179   5.271   0.945
  170    HB2  SER  24           HB2      SER  24  -7.604   4.633  -0.928
  171    HB3  SER  24           HB3      SER  24  -6.158   5.464  -1.539
  172    HG   SER  24           HG       SER  24  -6.599   3.560  -2.710
  173    H    CYS  25           H        CYS  25  -8.195   3.770   1.307
  174    HA   CYS  25           HA       CYS  25  -7.134   1.500   2.781
  175    HB2  CYS  25           HB2      CYS  25  -8.952   3.012   3.596
  176    HB3  CYS  25           HB3      CYS  25 -10.045   2.243   2.433
  177    H    HIS  26           H        HIS  26  -7.368  -0.645   2.409
  178    HA   HIS  26           HA       HIS  26  -8.716  -1.581  -0.053
  179    HB2  HIS  26           HB2      HIS  26  -6.566  -2.783  -0.647
  180    HB3  HIS  26           HB3      HIS  26  -6.518  -1.026  -0.847
  181    HD1  HIS  26           HD1      HIS  26  -4.665   0.247   0.454
  182    HD2  HIS  26           HD2      HIS  26  -5.327  -3.708   1.745
  183    HE1  HIS  26           HE1      HIS  26  -2.850  -0.262   2.196
  184    HE2  HIS  26           HE2      HIS  26  -3.258  -2.676   2.966
  185    H    ARG  27           H        ARG  27  -8.506  -4.070  -0.126
  186    HA   ARG  27           HA       ARG  27  -9.464  -5.034   2.410
  187    HB2  ARG  27           HB2      ARG  27 -10.284  -5.760   0.141
  188    HB3  ARG  27           HB3      ARG  27  -8.730  -6.562  -0.115
  189    HG2  ARG  27           HG2      ARG  27 -10.441  -8.166   0.618
  190    HG3  ARG  27           HG3      ARG  27  -9.148  -8.043   1.817
  191    HD2  ARG  27           HD2      ARG  27 -10.559  -6.505   3.170
  192    HD3  ARG  27           HD3      ARG  27 -11.846  -6.635   1.954
  193    HE   ARG  27           HE       ARG  27 -11.081  -9.241   2.850
  194   HH11  ARG  27          HH11      ARG  27 -12.809  -6.354   3.929
  195   HH12  ARG  27          HH12      ARG  27 -13.834  -7.236   5.041
  196   HH21  ARG  27          HH21      ARG  27 -12.432 -10.370   4.308
  197   HH22  ARG  27          HH22      ARG  27 -13.614  -9.497   5.254
  198    H    GLY  28           H        GLY  28  -8.520  -6.326   3.919
  199    HA2  GLY  28           HA2      GLY  28  -5.639  -7.024   3.566
  200    HA3  GLY  28           HA3      GLY  28  -6.372  -6.552   5.106
  201    H    ASP  29           H        ASP  29  -5.260  -8.738   5.613
  202    HA   ASP  29           HA       ASP  29  -6.654 -11.113   4.641
  203    HB2  ASP  29           HB2      ASP  29  -4.439 -10.708   6.680
  204    HB3  ASP  29           HB3      ASP  29  -5.026 -12.275   6.118
  205    H    VAL  30           H        VAL  30  -7.167  -8.893   7.202
  206    HA   VAL  30           HA       VAL  30  -8.948 -10.864   8.570
  207    HB   VAL  30           HB       VAL  30  -7.166  -8.775   9.883
  208   HG11  VAL  30          HG11      VAL  30  -9.059 -10.853  11.065
  209   HG12  VAL  30          HG12      VAL  30  -7.894  -9.884  11.997
  210   HG13  VAL  30          HG13      VAL  30  -9.239  -9.083  11.158
  211   HG21  VAL  30          HG21      VAL  30  -6.010 -10.739  10.869
  212   HG22  VAL  30          HG22      VAL  30  -7.031 -11.817   9.879
  213   HG23  VAL  30          HG23      VAL  30  -5.868 -10.712   9.101
  214    H    GLY  31           H        GLY  31  -8.499  -7.742   7.139
  215    HA2  GLY  31           HA2      GLY  31 -11.204  -7.038   7.063
  216    HA3  GLY  31           HA3      GLY  31 -10.518  -6.255   8.499
  217    H    CYS  32           H        CYS  32 -11.323  -4.419   6.780
  218    HA   CYS  32           HA       CYS  32  -9.340  -3.884   4.721
  219    HB2  CYS  32           HB2      CYS  32 -11.686  -2.277   5.772
  220    HB3  CYS  32           HB3      CYS  32 -10.601  -1.730   4.494
  221    H    VAL  33           H        VAL  33  -7.764  -2.369   4.673
  222    HA   VAL  33           HA       VAL  33  -7.143  -0.793   7.093
  223    HB   VAL  33           HB       VAL  33  -4.806  -1.664   7.084
  224   HG11  VAL  33          HG11      VAL  33  -5.254  -3.758   8.250
  225   HG12  VAL  33          HG12      VAL  33  -6.450  -2.529   8.698
  226   HG13  VAL  33          HG13      VAL  33  -6.885  -3.834   7.559
  227   HG21  VAL  33          HG21      VAL  33  -4.301  -3.794   5.981
  228   HG22  VAL  33          HG22      VAL  33  -5.914  -3.815   5.232
  229   HG23  VAL  33          HG23      VAL  33  -4.738  -2.553   4.791
  230    H    ARG  34           H        ARG  34  -5.353   0.721   6.725
  231    HA   ARG  34           HA       ARG  34  -4.597   1.119   3.887
  232    HB2  ARG  34           HB2      ARG  34  -4.977   3.472   3.980
  233    HB3  ARG  34           HB3      ARG  34  -6.483   2.669   4.457
  234    HG2  ARG  34           HG2      ARG  34  -5.910   3.076   6.860
  235    HG3  ARG  34           HG3      ARG  34  -4.449   3.938   6.338
  236    HD2  ARG  34           HD2      ARG  34  -7.321   4.685   5.660
  237    HD3  ARG  34           HD3      ARG  34  -6.264   5.518   6.821
  238    HE   ARG  34           HE       ARG  34  -4.994   5.405   4.259
  239   HH11  ARG  34          HH11      ARG  34  -7.610   7.058   5.971
  240   HH12  ARG  34          HH12      ARG  34  -7.528   8.481   4.956
  241   HH21  ARG  34          HH21      ARG  34  -4.936   7.240   2.940
  242   HH22  ARG  34          HH22      ARG  34  -6.002   8.594   3.243
  243    H    CYS  35           H        CYS  35  -2.517   2.070   3.617
  244    HA   CYS  35           HA       CYS  35  -0.839   1.828   6.073
  245    HB2  CYS  35           HB2      CYS  35  -0.082   1.174   3.228
  246    HB3  CYS  35           HB3      CYS  35   0.865   0.857   4.675
  247    H    SER  36           H        SER  36   1.553   2.715   5.213
  248    HA   SER  36           HA       SER  36   0.975   5.587   4.751
  249    HB2  SER  36           HB2      SER  36   3.274   4.086   6.049
  250    HB3  SER  36           HB3      SER  36   3.235   5.842   5.817
  251    HG   SER  36           HG       SER  36   2.440   5.231   7.871
  252    H    ASN  37           H        ASN  37   2.839   2.852   3.405
  253    HA   ASN  37           HA       ASN  37   3.505   4.473   1.061
  254    HB2  ASN  37           HB2      ASN  37   5.275   4.934   2.874
  255    HB3  ASN  37           HB3      ASN  37   5.761   3.246   2.701
  256   HD21  ASN  37          HD21      ASN  37   7.865   4.368   2.148
  257   HD22  ASN  37          HD22      ASN  37   8.114   4.833   0.478
  258    H    ALA  38           H        ALA  38   5.158   2.890  -0.332
  259    HA   ALA  38           HA       ALA  38   4.401   0.071  -0.040
  260    HB1  ALA  38           HB1      ALA  38   2.484   1.179  -1.236
  261    HB2  ALA  38           HB2      ALA  38   3.636   1.671  -2.509
  262    HB3  ALA  38           HB3      ALA  38   3.319  -0.049  -2.215
  263    H    GLN  39           H        GLN  39   5.372  -1.261  -1.781
  264    HA   GLN  39           HA       GLN  39   7.417  -0.048  -3.467
  265    HB2  GLN  39           HB2      GLN  39   9.224  -1.505  -2.665
  266    HB3  GLN  39           HB3      GLN  39   8.673  -0.423  -1.380
  267    HG2  GLN  39           HG2      GLN  39   7.377  -2.216  -0.352
  268    HG3  GLN  39           HG3      GLN  39   7.728  -3.306  -1.710
  269   HE21  GLN  39          HE21      GLN  39   9.512  -1.234   0.669
  270   HE22  GLN  39          HE22      GLN  39  10.792  -2.396   0.950
  271    H    CYS  40           H        CYS  40   8.358  -1.753  -4.960
  272    HA   CYS  40           HA       CYS  40   6.271  -3.774  -5.550
  273    HB2  CYS  40           HB2      CYS  40   8.528  -2.665  -7.233
  274    HB3  CYS  40           HB3      CYS  40   7.408  -3.930  -7.746
  275    H    THR  41           H        THR  41   6.750  -5.944  -5.725
  276    HA   THR  41           HA       THR  41   9.423  -6.837  -4.744
  277    HB   THR  41           HB       THR  41   8.236  -8.503  -3.336
  278    HG1  THR  41           HG1      THR  41   6.022  -8.152  -2.981
  279   HG21  THR  41          HG21      THR  41   7.551  -6.964  -1.565
  280   HG22  THR  41          HG22      THR  41   9.001  -6.337  -2.371
  281   HG23  THR  41          HG23      THR  41   7.408  -5.630  -2.737
  282    H    GLY  42           H        GLY  42   9.367  -9.407  -4.843
  283    HA2  GLY  42           HA2      GLY  42   8.806 -11.340  -6.108
  284    HA3  GLY  42           HA3      GLY  42   8.142 -10.327  -7.394
  285    H    PHE  43           H        PHE  43   9.732 -12.174  -8.345
  286    HA   PHE  43           HA       PHE  43  12.552 -11.671  -8.205
  287    HB2  PHE  43           HB2      PHE  43  11.605 -13.859  -8.707
  288    HB3  PHE  43           HB3      PHE  43  10.806 -13.220 -10.146
  289    HD1  PHE  43           HD2      PHE  43  14.300 -13.285  -8.717
  290    HD2  PHE  43           HD1      PHE  43  11.777 -13.793 -12.162
  291    HE1  PHE  43           HE2      PHE  43  16.285 -13.859 -10.089
  292    HE2  PHE  43           HE1      PHE  43  13.764 -14.369 -13.531
  293    HZ   PHE  43           HZ       PHE  43  16.019 -14.400 -12.496
  294    H    LEU  44           H        LEU  44  10.012 -10.137 -10.003
  295    HA   LEU  44           HA       LEU  44  12.044  -8.703 -11.623
  296    HB2  LEU  44           HB2      LEU  44   9.447  -9.934 -12.628
  297    HB3  LEU  44           HB3      LEU  44  10.436  -8.799 -13.558
  298    HG   LEU  44           HG       LEU  44  11.433 -11.486 -12.526
  299   HD11  LEU  44          HD11      LEU  44  10.511 -10.643 -15.306
  300   HD12  LEU  44          HD12      LEU  44  11.234 -12.209 -14.869
  301   HD13  LEU  44          HD13      LEU  44   9.646 -11.747 -14.213
  302   HD21  LEU  44          HD21      LEU  44  13.245  -9.824 -12.916
  303   HD22  LEU  44          HD22      LEU  44  13.268 -11.096 -14.153
  304   HD23  LEU  44          HD23      LEU  44  12.588  -9.499 -14.538
  305    H    GLY  45           H        GLY  45  10.107  -8.244  -9.158
  306    HA2  GLY  45           HA2      GLY  45   9.158  -6.333  -8.300
  307    HA3  GLY  45           HA3      GLY  45   9.620  -5.469  -9.785
  308    H    THR  46           H        THR  46   7.777  -8.388 -10.218
  309    HA   THR  46           HA       THR  46   5.644  -6.837 -11.442
  310    HB   THR  46           HB       THR  46   4.822  -9.145 -12.094
  311    HG1  THR  46           HG1      THR  46   5.741 -10.313 -10.402
  312   HG21  THR  46          HG21      THR  46   6.697  -9.559 -13.650
  313   HG22  THR  46          HG22      THR  46   6.298  -7.830 -13.561
  314   HG23  THR  46          HG23      THR  46   7.725  -8.453 -12.708
  315    H    THR  47           H        THR  47   6.066  -7.361  -8.283
  316    HA   THR  47           HA       THR  47   3.161  -7.850  -7.806
  317    HB   THR  47           HB       THR  47   5.487  -8.780  -6.086
  318    HG1  THR  47           HG1      THR  47   4.843 -10.814  -6.815
  319   HG21  THR  47          HG21      THR  47   3.692 -10.091  -4.927
  320   HG22  THR  47          HG22      THR  47   3.520  -8.333  -4.727
  321   HG23  THR  47          HG23      THR  47   2.479  -9.203  -5.883
  322    H    CYS  48           H        CYS  48   2.265  -6.750  -5.969
  323    HA   CYS  48           HA       CYS  48   3.766  -4.273  -5.238
  324    HB2  CYS  48           HB2      CYS  48   1.810  -3.800  -6.580
  325    HB3  CYS  48           HB3      CYS  48   0.817  -4.865  -5.592
  326    H    THR  49           H        THR  49   3.970  -3.713  -3.120
  327    HA   THR  49           HA       THR  49   2.561  -5.285  -1.039
  328    HB   THR  49           HB       THR  49   5.587  -4.972  -1.241
  329    HG1  THR  49           HG1      THR  49   4.718  -6.630  -2.504
  330   HG21  THR  49          HG21      THR  49   3.830  -6.213   0.922
  331   HG22  THR  49          HG22      THR  49   5.595  -6.411   0.817
  332   HG23  THR  49          HG23      THR  49   4.903  -4.802   1.100
  333    H    CYS  50           H        CYS  50   2.218  -4.127   0.862
  334    HA   CYS  50           HA       CYS  50   2.784  -1.226   0.651
  335    HB2  CYS  50           HB2      CYS  50   0.937  -2.715   2.533
  336    HB3  CYS  50           HB3      CYS  50   1.064  -0.965   2.325
  337    H    ILE  51           H        ILE  51   3.300  -0.046   2.652
  338    HA   ILE  51           HA       ILE  51   5.351  -1.519   4.247
  339    HB   ILE  51           HB       ILE  51   5.030   1.430   3.591
  340   HG12  ILE  51          HG12      ILE  51   5.731   0.109   1.631
  341   HG13  ILE  51          HG13      ILE  51   7.018   1.176   2.197
  342   HG21  ILE  51          HG21      ILE  51   6.078   1.208   5.750
  343   HG22  ILE  51          HG22      ILE  51   7.205  -0.027   5.140
  344   HG23  ILE  51          HG23      ILE  51   7.315   1.652   4.564
  345   HD11  ILE  51          HD11      ILE  51   8.122  -0.746   3.317
  346   HD12  ILE  51          HD12      ILE  51   6.815  -1.818   2.749
  347   HD13  ILE  51          HD13      ILE  51   7.883  -1.026   1.577
  348    H    ASN  52           H        ASN  52   5.348  -1.402   6.473
  349    HA   ASN  52           HA       ASN  52   2.775  -0.937   7.698
  350    HB2  ASN  52           HB2      ASN  52   3.892  -1.712   9.741
  351    HB3  ASN  52           HB3      ASN  52   4.283  -2.758   8.377
  352   HD21  ASN  52          HD21      ASN  52   6.424  -2.901   7.636
  353   HD22  ASN  52          HD22      ASN  52   7.756  -2.090   8.435
  354    HA   PRO  53           HA       PRO  53   2.207  -0.581  10.010
  355    HB2  PRO  53           HB2      PRO  53   0.487   1.095  11.236
  356    HB3  PRO  53           HB3      PRO  53   2.163   0.885  11.842
  357    HG2  PRO  53           HG2      PRO  53   1.127   3.062   9.993
  358    HG3  PRO  53           HG3      PRO  53   2.058   3.267  11.518
  359    HD2  PRO  53           HD2      PRO  53   3.276   3.254   9.077
  360    HD3  PRO  53           HD3      PRO  53   4.048   2.512  10.509
  361    H    CYS  54           H        CYS  54  -0.166  -0.977   9.831
  362    HA   CYS  54           HA       CYS  54  -1.492   0.363   7.541
  363    HB2  CYS  54           HB2      CYS  54  -1.049  -2.609   7.895
  364    HB3  CYS  54           HB3      CYS  54  -2.216  -1.928   6.770
  365    HA   PRO  55           HA       PRO  55  -4.146  -0.366  11.352
  366    HB2  PRO  55           HB2      PRO  55  -5.065   2.191  11.637
  367    HB3  PRO  55           HB3      PRO  55  -3.469   1.667  12.270
  368    HG2  PRO  55           HG2      PRO  55  -4.057   3.025   9.609
  369    HG3  PRO  55           HG3      PRO  55  -2.858   3.520  10.858
  370    HD2  PRO  55           HD2      PRO  55  -2.080   2.031   8.756
  371    HD3  PRO  55           HD3      PRO  55  -1.471   1.652  10.394
  372    H    ARG  56           H        ARG  56  -6.531   0.151  11.592
  373    HA   ARG  56           HA       ARG  56  -7.991  -0.581   9.227
  374    HB2  ARG  56           HB2      ARG  56  -8.915   0.552  11.902
  375    HB3  ARG  56           HB3      ARG  56  -9.969  -0.182  10.688
  376    HG2  ARG  56           HG2      ARG  56  -7.695  -1.625  12.118
  377    HG3  ARG  56           HG3      ARG  56  -9.413  -1.733  12.535
  378    HD2  ARG  56           HD2      ARG  56  -9.896  -2.590  10.241
  379    HD3  ARG  56           HD3      ARG  56  -8.161  -2.599   9.897
  380    HE   ARG  56           HE       ARG  56  -9.665  -4.475  11.570
  381   HH11  ARG  56          HH11      ARG  56  -6.456  -3.214  10.785
  382   HH12  ARG  56          HH12      ARG  56  -5.632  -4.622  11.427
  383   HH21  ARG  56          HH21      ARG  56  -8.562  -6.287  12.375
  384   HH22  ARG  56          HH22      ARG  56  -6.817  -6.356  12.297
  385    H    CYS  57           H        CYS  57  -9.978   0.701   8.542
  386    HA   CYS  57           HA       CYS  57  -9.398   3.612   8.450
  387    HB2  CYS  57           HB2      CYS  57  -9.746   3.694   6.111
  388    HB3  CYS  57           HB3      CYS  57  -8.596   2.392   6.409