*HEADER    RNA BINDING PROTEIN/RNA                 19-JAN-15   2MXY              
*TITLE     SOLUTION STRUCTURE OF HNRNP C RRM IN COMPLEX WITH 5'-AUUUUUC-3' RNA   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEINS C1/C2;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RRM (UNP RESIDUES 2-106);                                  
*COMPND   5 SYNONYM: HNRNP C1/C2, HNRNP_C;                                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: 5'-R(*AP*UP*UP*UP*UP*UP*C)-3';                             
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: HNRNPC, HNRPC;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PTYB11;                                   
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE  13 ORGANISM_TAXID: 32630                                                
*KEYWDS    HNRNP C, RRM, COMPLEX, RNA BINDING PROTEIN-RNA COMPLEX                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Z.CIENIKOVA, F.F.DAMBERGER, J.HALL, F.H.-T.ALLAIN, C.MARIS            
*REVDAT   1   25-FEB-15 2MXY    0                                                


#
# 2 ALA HA 43 ILE QG2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,

      rk2=20, rk3=20, ir6=1, ialtd=0,
 igr2= 656, 657, 658,
 &end
#
# 2 ALA HA 44 VAL HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=   6, 671, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 2 ALA QB 30 LYS QE 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=   8,   9,  10,
 igr2= 455, 456,
 &end
#
# 2 ALA QB 34 GLU QB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=   8,   9,  10,
 igr2= 507, 508,
 &end
#
# 2 ALA QB 3 SER HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 3 SER QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=   8,   9,  10,
 igr2=  18,  19,
 &end
#
# 2 ALA QB 42 LYS QE 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=   8,   9,  10,
 igr2= 641, 642,
 &end
#
# 2 ALA QB 43 ILE HB 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 43 ILE HG13 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 43 ILE QD1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=   8,   9,  10,
 igr2= 663, 664, 665,
 &end
#
# 2 ALA QB 43 ILE QG2 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=   8,   9,  10,
 igr2= 656, 657, 658,
 &end
#
# 2 ALA QB 44 VAL H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 44 VAL HA 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 44 VAL HB 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 44 VAL QG1 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=   8,   9,  10,
 igr2= 675, 676, 677,
 &end
#
# 2 ALA QB 44 VAL QG2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=   8,   9,  10,
 igr2= 679, 680, 681,
 &end
#
# 2 ALA QB 45 GLY H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 45 GLY HA2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 45 GLY HA3 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 46 CYS H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 46 CYS HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=   8,   9,  10,
 &end
#
# 2 ALA QB 46 CYS QB 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=   8,   9,  10,
 igr2= 696, 697,
 &end
#
# 2 ALA QB 55 VAL QQG 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=   8,   9,  10,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 2 ALA QB 56 GLN H 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=   8,   9,  10,
 &end
#
# 3 SER HA 45 GLY HA2 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  16, 687, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 3 SER HA 4 ASN H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  25, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 3 SER HA 4 ASN HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  27, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 3 SER HA 4 ASN QB 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=  29,  30,
 &end
#
# 3 SER HA 5 VAL H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  39, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 3 SER HA 5 VAL QQG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 3 SER QB 44 VAL HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=  18,  19,
 &end
#
# 3 SER QB 44 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
# 3 SER QB 44 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  18,  19,
 igr2= 675, 676, 677,
 &end
#
# 3 SER QB 44 VAL QG2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  18,  19,
 igr2= 679, 680, 681,
 &end
#
# 3 SER QB 45 GLY H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  18,  19,
 &end
#
# 3 SER QB 45 GLY HA2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  18,  19,
 &end
#
# 3 SER QB 45 GLY HA3 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  18,  19,
 &end
#
# 3 SER QB 46 CYS H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=  18,  19,
 &end
#
# 3 SER QB 4 ASN H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=  18,  19,
 &end
#
# 3 SER QB 4 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
# 3 SER QB 56 GLN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
# 3 SER QB 5 VAL H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=  18,  19,
 &end
#
# 3 SER QB 5 VAL HB 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=  18,  19,
 &end
#
# 3 SER QB 5 VAL QQG 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  18,  19,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 3 SER QB 6 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  18,  19,
 igr2=  61,  62,  63,
 &end
#
# 4 ASN H 4 ASN QB 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=  29,  30,
 &end
#
# 4 ASN H 4 ASN QD2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=  34,  35,
 &end
#
# 4 ASN H 5 VAL H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  39, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 4 ASN H 5 VAL HB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  43, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 4 ASN H 5 VAL QQG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 ASN HA 45 GLY HA3 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 688, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 4 ASN HA 46 CYS H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 692, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 4 ASN HA 46 CYS HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 694, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 4 ASN HA 47 SER HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 705, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 4 ASN HA 47 SER QB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 707, 708,
 &end
#
# 4 ASN HA 4 ASN QD2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=  34,  35,
 &end
#
# 4 ASN HA 5 VAL QQG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 ASN HA 6 THR QG2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=  61,  62,  63,
 &end
#
# 4 ASN QB 4 ASN QD2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=  29,  30,
 igr2=  34,  35,
 &end
#
# 4 ASN QB 5 VAL H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  29,  30,
 &end
#
# 4 ASN QB 5 VAL QQG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  29,  30,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 4 ASN QD2 5 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  34,  35,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL H 45 GLY HA3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 688, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 5 VAL H 46 CYS H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  39, 692, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 5 VAL H 5 VAL HB 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  43, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 5 VAL H 5 VAL QQG 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL H 6 THR H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  55, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 5 VAL H 6 THR HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  57, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 5 VAL H 6 THR QG2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=  61,  62,  63,
 &end
#
# 5 VAL HA 5 VAL QQG 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL HA 6 THR H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  55, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 5 VAL HA 6 THR QG2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=  61,  62,  63,
 &end
#
# 5 VAL HA 7 ASN H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  69, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 5 VAL HA 8 LYS QE 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=  96,  97,
 &end
#
# 5 VAL HB 6 THR H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  55, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 5 VAL HB 7 ASN H 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  69, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 5 VAL HB 8 LYS QD 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=  93,  94,
 &end
#
# 5 VAL QQG 44 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2= 679, 680, 681,
 &end
#
# 5 VAL QQG 45 GLY HA2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 45 GLY HA3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 46 CYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 6 THR H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 6 THR HA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 6 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 7 ASN H 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 7 ASN HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 7 ASN QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  78,  79,
 &end
#
# 5 VAL QQG 8 LYS H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 8 LYS HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 5 VAL QQG 8 LYS QD 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  93,  94,
 &end
#
# 5 VAL QQG 8 LYS QE 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  96,  97,
 &end
#
# 5 VAL QQG 8 LYS QG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=  45,  46,  47,  49,  50,  51,
 igr2=  90,  91,
 &end
#
# 6 THR H 7 ASN H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  69, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 6 THR H 7 ASN HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  71, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 6 THR H 7 ASN QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=  73,  74,
 &end
#
# 6 THR HA 17 ARG QD 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 232, 233,
 &end
#
# 6 THR HA 17 ARG QG 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 229, 230,
 &end
#
# 6 THR HA 56 GLN HB2 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 6 THR HA 56 GLN HB3 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 847, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 6 THR HA 56 GLN QG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 849, 850,
 &end
#
# 6 THR HA 6 THR QG2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=  61,  62,  63,
 &end
#
# 6 THR HB 17 ARG HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 224, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 6 THR HB 17 ARG HE 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 235, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 6 THR HB 17 ARG QD 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 232, 233,
 &end
#
# 6 THR HB 17 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 229, 230,
 &end
#
# 6 THR HB 54 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 THR HB 54 PHE QB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 810, 811,
 &end
#
# 6 THR HB 56 GLN HB2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 846, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 6 THR HB 56 GLN HB3 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 847, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 6 THR HB 56 GLN QG 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 849, 850,
 &end
#
# 6 THR QG2 17 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 17 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=  61,  62,  63,
 igr2= 232, 233,
 &end
#
# 6 THR QG2 43 ILE QG2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=  61,  62,  63,
 igr2= 656, 657, 658,
 &end
#
# 6 THR QG2 45 GLY HA2 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 45 GLY HA3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 46 CYS H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 46 CYS HA 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 46 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  61,  62,  63,
 igr2= 696, 697,
 &end
#
# 6 THR QG2 47 SER H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 47 SER HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 47 SER QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=  61,  62,  63,
 igr2= 707, 708,
 &end
#
# 6 THR QG2 54 PHE H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 54 PHE HA 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 54 PHE QB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=  61,  62,  63,
 igr2= 810, 811,
 &end
#
# 6 THR QG2 54 PHE QD 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=  61,  62,  63,
 igr2= 814, 822,
 &end
#
# 6 THR QG2 55 VAL H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 55 VAL HA 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 55 VAL QQG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1=  61,  62,  63,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 6 THR QG2 56 GLN H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 56 GLN HB2 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 56 GLN HB3 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 56 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  61,  62,  63,
 &end
#
# 6 THR QG2 56 GLN QG 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=  61,  62,  63,
 igr2= 849, 850,
 &end
#
# 6 THR QG2 57 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  61,  62,  63,
 &end
#
# 7 ASN H 7 ASN QB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=  73,  74,
 &end
#
# 7 ASN H 7 ASN QD2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=  78,  79,
 &end
#
# 7 ASN H 8 LYS H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  83, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 7 ASN HA 7 ASN QD2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=  78,  79,
 &end
#
# 7 ASN HA 8 LYS QD 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=  93,  94,
 &end
#
# 7 ASN HA 9 THR QG2 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 111, 112, 113,
 &end
#
# 7 ASN QB 7 ASN QD2 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  73,  74,
 igr2=  78,  79,
 &end
#
# 7 ASN QB 8 LYS QE 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  73,  74,
 igr2=  96,  97,
 &end
#
# 7 ASN QD2 8 LYS QE 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  78,  79,
 igr2=  96,  97,
 &end
#
# 8 LYS H 8 LYS HB2 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  87, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 8 LYS H 8 LYS QD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=  93,  94,
 &end
#
# 8 LYS H 8 LYS QE 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=  96,  97,
 &end
#
# 8 LYS H 8 LYS QG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=  90,  91,
 &end
#
# 8 LYS H 9 THR QG2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 111, 112, 113,
 &end
#
# 8 LYS HA 10 ASP H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 119, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 8 LYS HA 8 LYS QD 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=  93,  94,
 &end
#
# 8 LYS HA 8 LYS QE 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=  96,  97,
 &end
#
# 8 LYS HA 8 LYS QG 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=  90,  91,
 &end
#
# 8 LYS HA 9 THR H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 105, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 8 LYS HA 9 THR HA 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 107, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 8 LYS HA 9 THR QG2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 111, 112, 113,
 &end
#
# 8 LYS HB2 8 LYS QD 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  93,  94,
 &end
#
# 8 LYS HB2 8 LYS QE 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=  96,  97,
 &end
#
# 8 LYS HB3 10 ASP H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 119, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 8 LYS HB3 10 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LYS HB3 13 SER QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 173, 174,
 &end
#
# 8 LYS HB3 8 LYS QD 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=  93,  94,
 &end
#
# 8 LYS HB3 8 LYS QE 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=  96,  97,
 &end
#
# 8 LYS HB3 9 THR H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 105, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 8 LYS QD 13 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  93,  94,
 igr2= 173, 174,
 &end
#
# 8 LYS QD 8 LYS QE 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr1=  93,  94,
 igr2=  96,  97,
 &end
#
# 8 LYS QD 9 THR H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=  93,  94,
 &end
#
# 8 LYS QE 9 THR H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=  96,  97,
 &end
#
# 8 LYS QE 9 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  96,  97,
 igr2= 111, 112, 113,
 &end
#
# 8 LYS QG 10 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  90,  91,
 &end
#
# 8 LYS QG 10 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  90,  91,
 &end
#
# 8 LYS QG 8 LYS QD 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=  90,  91,
 igr2=  93,  94,
 &end
#
# 8 LYS QG 8 LYS QE 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  90,  91,
 igr2=  96,  97,
 &end
#
# 8 LYS QG 9 THR H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=  90,  91,
 &end
#
# 9 THR H 10 ASP H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 9 THR H 10 ASP HA 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 9 THR H 10 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 THR H 9 THR QG2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 111, 112, 113,
 &end
#
# 9 THR HA 10 ASP H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 9 THR HA 14 MET H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 180, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 9 THR HA 14 MET HG2 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 187, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 9 THR HA 14 MET HG3 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 188, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 9 THR HA 14 MET QE 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 191, 192, 193,
 &end
#
# 9 THR HA 9 THR HB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 109, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 9 THR HA 9 THR QG2 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 111, 112, 113,
 &end
#
# 9 THR HB 14 MET HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 THR HB 14 MET HG3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 188, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 9 THR HB 14 MET QE 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 191, 192, 193,
 &end
#
# 9 THR QG2 10 ASP H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 111, 112, 113,
 &end
#
# 9 THR QG2 14 MET HG2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 111, 112, 113,
 &end
#
# 9 THR QG2 14 MET HG3 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 111, 112, 113,
 &end
#
# 9 THR QG2 14 MET QE 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 111, 112, 113,
 igr2= 191, 192, 193,
 &end
#
# 10 ASP H 10 ASP HB2 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 10 ASP H 10 ASP HB3 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 10 ASP H 13 SER H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 169, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 10 ASP H 13 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 ASP H 13 SER QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 173, 174,
 &end
#
# 10 ASP H 14 MET H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 180, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 10 ASP H 14 MET HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 ASP H 14 MET HG2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 187, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 10 ASP HA 11 PRO HB3 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 10 ASP HA 11 PRO HD2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 132, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 10 ASP HA 11 PRO HD3 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 133, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 10 ASP HA 11 PRO QG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 135, 136,
 &end
#
# 10 ASP HA 12 ARG H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 145, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 10 ASP HA 13 SER H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 169, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 10 ASP HA 14 MET H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 180, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 10 ASP HA 14 MET HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 ASP HB2 11 PRO HD2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 132, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 10 ASP HB2 11 PRO HD3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 10 ASP HB2 11 PRO QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 135, 136,
 &end
#
# 10 ASP HB2 12 ARG H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 145, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 10 ASP HB2 12 ARG QD 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 155, 156,
 &end
#
# 10 ASP HB2 13 SER H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 169, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 10 ASP HB2 14 MET H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 180, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 10 ASP HB3 11 PRO HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 ASP HB3 11 PRO HD2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 132, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 10 ASP HB3 11 PRO HD3 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 133, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 10 ASP HB3 11 PRO QG 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 135, 136,
 &end
#
# 10 ASP HB3 12 ARG H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 145, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 10 ASP HB3 12 ARG HG3 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 153, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 10 ASP HB3 12 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 149, 150,
 &end
#
# 10 ASP HB3 13 SER H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 169, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 10 ASP HB3 14 MET H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 180, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 11 PRO HA 14 MET H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 180, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 11 PRO HA 14 MET HG3 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 188, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 11 PRO HB2 12 ARG H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 11 PRO HB2 12 ARG HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 11 PRO HB2 15 ASN HD22 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 206, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 11 PRO HB3 12 ARG H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11 PRO HD2 12 ARG H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 145, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 11 PRO HD2 14 MET H 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 180, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 11 PRO HD3 12 ARG H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 145, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 11 PRO QG 12 ARG H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 135, 136,
 &end
#
# 12 ARG H 12 ARG HG2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 12 ARG H 12 ARG HG3 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 153, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 12 ARG H 12 ARG QB 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 149, 150,
 &end
#
# 12 ARG H 12 ARG QD 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 155, 156,
 &end
#
# 12 ARG H 13 SER H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 169, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 12 ARG H 13 SER QB 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 173, 174,
 &end
#
# 12 ARG H 14 MET HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ARG HA 12 ARG HG2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 12 ARG HA 12 ARG HG3 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 153, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 12 ARG HA 12 ARG QB 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 149, 150,
 &end
#
# 12 ARG HA 12 ARG QD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 155, 156,
 &end
#
# 12 ARG HA 15 ASN HB2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 201, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 12 ARG HA 15 ASN HB3 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 202, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 12 ARG HA 15 ASN HD21 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 207, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 12 ARG HA 15 ASN HD22 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 206, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 12 ARG HG2 12 ARG QD 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr2= 155, 156,
 &end
#
# 12 ARG HG2 13 SER H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 169, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 12 ARG HG3 12 ARG QD 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2= 155, 156,
 &end
#
# 12 ARG HG3 13 SER H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 169, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 12 ARG QB 12 ARG HG2 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr1= 149, 150,
 &end
#
# 12 ARG QB 12 ARG HG3 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 149, 150,
 &end
#
# 12 ARG QB 12 ARG QD 2.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 149, 150,
 igr2= 155, 156,
 &end
#
# 12 ARG QB 13 SER H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 149, 150,
 &end
#
# 12 ARG QB 16 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 149, 150,
 igr2= 215, 216,
 &end
#
# 12 ARG QB 59 ASN HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 149, 150,
 &end
#
# 12 ARG QD 13 SER H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 155, 156,
 &end
#
# 12 ARG QD 13 SER QB 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 155, 156,
 igr2= 173, 174,
 &end
#
# 12 ARG QD 16 SER QB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 155, 156,
 igr2= 215, 216,
 &end
#
# 12 ARG QD 59 ASN HB2 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 155, 156,
 &end
#
# 13 SER H 13 SER QB 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 173, 174,
 &end
#
# 13 SER H 14 MET HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 SER H 16 SER H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 211, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 13 SER H 16 SER QB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 215, 216,
 &end
#
# 13 SER HA 15 ASN H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 197, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 13 SER HA 16 SER H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 211, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 13 SER HA 16 SER HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 213, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 13 SER HA 17 ARG H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 222, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 13 SER HA 17 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 226, 227,
 &end
#
# 13 SER HA 56 GLN HE21 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 855, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 13 SER HA 56 GLN HE22 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 854, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 13 SER HA 59 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 SER QB 14 MET H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 173, 174,
 &end
#
# 13 SER QB 14 MET HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 173, 174,
 &end
#
# 13 SER QB 15 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 173, 174,
 &end
#
# 13 SER QB 56 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 173, 174,
 &end
#
# 14 MET H 14 MET HB2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 14 MET H 14 MET HB3 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 14 MET H 14 MET HG2 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 14 MET H 14 MET HG3 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 188, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 14 MET H 14 MET QE 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 191, 192, 193,
 &end
#
# 14 MET H 15 ASN H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 197, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 14 MET H 15 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 MET H 16 SER H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 211, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 14 MET H 17 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 MET HA 14 MET HG2 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 14 MET HA 14 MET HG3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 188, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 14 MET HA 14 MET QE 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 191, 192, 193,
 &end
#
# 14 MET HA 15 ASN HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 14 MET HA 16 SER H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 211, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 14 MET HA 17 ARG H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 222, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 14 MET HA 17 ARG QB 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 226, 227,
 &end
#
# 14 MET HA 17 ARG QD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 232, 233,
 &end
#
# 14 MET HA 85 ALA QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1281,1282,1283,
 &end
#
# 14 MET HA 86 ALA QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1291,1292,1293,
 &end
#
# 14 MET HB2 15 ASN H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 197, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 14 MET HB2 15 ASN HB3 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 14 MET HB2 15 ASN HD21 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 207, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 14 MET HB2 15 ASN HD22 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 206, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 14 MET HB3 14 MET QE 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2= 191, 192, 193,
 &end
#
# 14 MET HB3 15 ASN H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 197, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 14 MET HB3 86 ALA QB 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1291,1292,1293,
 &end
#
# 14 MET HG2 14 MET QE 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 191, 192, 193,
 &end
#
# 14 MET HG2 15 ASN H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 14 MET HG2 15 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 MET HG2 85 ALA QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1281,1282,1283,
 &end
#
# 14 MET HG2 86 ALA QB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1291,1292,1293,
 &end
#
# 14 MET HG3 14 MET QE 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 191, 192, 193,
 &end
#
# 14 MET HG3 15 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 MET HG3 86 ALA QB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1291,1292,1293,
 &end
#
# 14 MET QE 15 ASN H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 191, 192, 193,
 &end
#
# 14 MET QE 15 ASN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 191, 192, 193,
 &end
#
# 14 MET QE 15 ASN HD21 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 191, 192, 193,
 &end
#
# 14 MET QE 85 ALA H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 191, 192, 193,
 &end
#
# 14 MET QE 85 ALA QB 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 191, 192, 193,
 igr2=1281,1282,1283,
 &end
#
# 14 MET QE 86 ALA H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 191, 192, 193,
 &end
#
# 14 MET QE 86 ALA HA 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 191, 192, 193,
 &end
#
# 14 MET QE 86 ALA QB 2.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 191, 192, 193,
 igr2=1291,1292,1293,
 &end
#
# 15 ASN H 15 ASN HB2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 15 ASN H 15 ASN HB3 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 15 ASN H 15 ASN HD21 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 15 ASN H 15 ASN HD22 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 206, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 15 ASN H 16 SER H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 211, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 15 ASN H 16 SER HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 213, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 15 ASN H 16 SER QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 215, 216,
 &end
#
# 15 ASN H 17 ARG H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 222, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 15 ASN H 84 LEU QQD 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 15 ASN H 85 ALA QB 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2=1281,1282,1283,
 &end
#
# 15 ASN H 86 ALA QB 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1291,1292,1293,
 &end
#
# 15 ASN HA 15 ASN HD21 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 ASN HA 15 ASN HD22 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 206, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 15 ASN HA 60 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 ASN HA 84 LEU HG 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,1265, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 15 ASN HA 84 LEU QQD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 15 ASN HA 85 ALA QB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1281,1282,1283,
 &end
#
# 15 ASN HA 86 ALA QB 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1291,1292,1293,
 &end
#
# 15 ASN HB2 15 ASN HD21 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 207, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 15 ASN HB2 16 SER H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 15 ASN HB2 60 GLU HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 912, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 15 ASN HB2 60 GLU HB2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 914, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 15 ASN HB2 60 GLU HB3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 915, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 15 ASN HB2 60 GLU HG2 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 917, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 15 ASN HB2 60 GLU HG3 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 918, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 15 ASN HB2 63 ALA QB 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 967, 968, 969,
 &end
#
# 15 ASN HB2 84 LEU QQD 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 15 ASN HB2 86 ALA QB 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1291,1292,1293,
 &end
#
# 15 ASN HB3 15 ASN HD21 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 15 ASN HB3 15 ASN HD22 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 15 ASN HB3 16 SER H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 15 ASN HB3 60 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 ASN HB3 84 LEU HB3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 202,1263, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 15 ASN HB3 84 LEU QQD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 15 ASN HB3 86 ALA QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1291,1292,1293,
 &end
#
# 15 ASN HD21 84 LEU QQD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 15 ASN HD21 86 ALA QB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1291,1292,1293,
 &end
#
# 15 ASN HD22 84 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 15 ASN HD22 86 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1291,1292,1293,
 &end
#
# 16 SER H 16 SER QB 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 215, 216,
 &end
#
# 16 SER H 17 ARG H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 222, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 16 SER H 17 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 226, 227,
 &end
#
# 16 SER H 60 GLU HB2 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 914, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 16 SER H 63 ALA QB 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 967, 968, 969,
 &end
#
# 16 SER H 84 LEU QQD 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 16 SER HA 17 ARG H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 222, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 16 SER HA 17 ARG HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 224, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 16 SER HA 17 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 226, 227,
 &end
#
# 16 SER HA 18 VAL QQG 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 16 SER HA 56 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 SER HA 56 GLN HE22 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 854, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 16 SER HA 57 TYR QD 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 867, 876,
 &end
#
# 16 SER HA 59 ASN HA 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 898, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 16 SER HA 60 GLU H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 910, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 16 SER HA 60 GLU HA 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 912, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 16 SER HA 60 GLU HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 16 SER HA 60 GLU HB3 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 915, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 16 SER HA 60 GLU HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 SER HA 60 GLU HG3 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 918, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 16 SER HA 63 ALA H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 963, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 16 SER HA 63 ALA HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 965, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 16 SER HA 63 ALA QB 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 967, 968, 969,
 &end
#
# 16 SER HA 84 LEU QQD 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 16 SER QB 17 ARG H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 215, 216,
 &end
#
# 16 SER QB 56 GLN HE21 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 215, 216,
 &end
#
# 16 SER QB 56 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 16 SER QB 57 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 215, 216,
 igr2= 867, 876,
 &end
#
# 16 SER QB 59 ASN H 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 215, 216,
 &end
#
# 16 SER QB 59 ASN HA 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 215, 216,
 &end
#
# 16 SER QB 60 GLU H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 215, 216,
 &end
#
# 16 SER QB 60 GLU HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 215, 216,
 &end
#
# 16 SER QB 60 GLU HB2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 215, 216,
 &end
#
# 16 SER QB 60 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 215, 216,
 &end
#
# 16 SER QB 63 ALA H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 215, 216,
 &end
#
# 16 SER QB 63 ALA QB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 215, 216,
 igr2= 967, 968, 969,
 &end
#
# 17 ARG H 17 ARG QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 226, 227,
 &end
#
# 17 ARG H 17 ARG QG 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 229, 230,
 &end
#
# 17 ARG H 18 VAL H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 17 ARG H 18 VAL QQG 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 ARG H 56 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG H 56 GLN HE22 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 854, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 17 ARG H 63 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 967, 968, 969,
 &end
#
# 17 ARG H 84 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 17 ARG H 85 ALA QB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1281,1282,1283,
 &end
#
# 17 ARG HA 17 ARG QD 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 232, 233,
 &end
#
# 17 ARG HA 18 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HA 18 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 17 ARG HA 55 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HA 55 VAL QQG 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 17 ARG HA 56 GLN H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 842, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 17 ARG HA 56 GLN HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 844, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 17 ARG HA 56 GLN HB2 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 846, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 17 ARG HA 57 TYR H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 859, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 17 ARG HA 63 ALA QB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 967, 968, 969,
 &end
#
# 17 ARG HA 85 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1281,1282,1283,
 &end
#
# 17 ARG HE 56 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HE 56 GLN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 ARG HE 85 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1281,1282,1283,
 &end
#
# 17 ARG QB 17 ARG HE 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 226, 227,
 &end
#
# 17 ARG QB 18 VAL H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 226, 227,
 &end
#
# 17 ARG QB 55 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 226, 227,
 &end
#
# 17 ARG QB 56 GLN HA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 226, 227,
 &end
#
# 17 ARG QB 85 ALA QB 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 226, 227,
 igr2=1281,1282,1283,
 &end
#
# 17 ARG QD 56 GLN HB2 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 232, 233,
 &end
#
# 17 ARG QD 85 ALA QB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 232, 233,
 igr2=1281,1282,1283,
 &end
#
# 17 ARG QG 18 VAL H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 229, 230,
 &end
#
# 17 ARG QG 56 GLN HA 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 229, 230,
 &end
#
# 18 VAL H 18 VAL HB 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 250, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 18 VAL H 18 VAL QQG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL H 19 PHE H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 262, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 18 VAL H 54 PHE QD 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 814, 822,
 &end
#
# 18 VAL H 55 VAL H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 826, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 18 VAL H 55 VAL HB 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 830, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 18 VAL H 56 GLN HA 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 844, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 18 VAL H 57 TYR H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 859, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 18 VAL H 57 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 876,
 &end
#
# 18 VAL H 63 ALA QB 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 967, 968, 969,
 &end
#
# 18 VAL H 67 VAL QQG 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 18 VAL H 85 ALA QB 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=1281,1282,1283,
 &end
#
# 18 VAL HA 18 VAL QQG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL HA 19 PHE H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 18 VAL HA 19 PHE HB2 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 266, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 18 VAL HA 19 PHE HB3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 267, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 18 VAL HA 63 ALA QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 967, 968, 969,
 &end
#
# 18 VAL HA 67 VAL QQG 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 18 VAL HA 82 ILE QG2 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1231,1232,1233,
 &end
#
# 18 VAL HA 83 ASN H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,1244, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 18 VAL HA 85 ALA QB 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1281,1282,1283,
 &end
#
# 18 VAL HB 19 PHE H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 262, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 18 VAL HB 20 ILE QD1 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 295, 296, 297,
 &end
#
# 18 VAL HB 54 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 VAL HB 54 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 814, 822,
 &end
#
# 18 VAL HB 55 VAL H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 826, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 18 VAL HB 55 VAL HB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 830, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 18 VAL HB 55 VAL QQG 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 18 VAL HB 57 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 876,
 &end
#
# 18 VAL HB 57 TYR QE 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 869, 874,
 &end
#
# 18 VAL HB 82 ILE QG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1231,1232,1233,
 &end
#
# 18 VAL QQG 19 PHE H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 20 ILE H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 20 ILE HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 20 ILE HG12 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 20 ILE HG13 2.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 20 ILE QD1 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 295, 296, 297,
 &end
#
# 18 VAL QQG 37 PHE HB3 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 37 PHE HZ 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 37 PHE QD 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 555, 563,
 &end
#
# 18 VAL QQG 37 PHE QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 557, 561,
 &end
#
# 18 VAL QQG 43 ILE QD1 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 663, 664, 665,
 &end
#
# 18 VAL QQG 54 PHE HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 55 VAL H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 55 VAL HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 55 VAL HB 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 55 VAL QQG 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 18 VAL QQG 56 GLN HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 57 TYR H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 57 TYR HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 57 TYR QD 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 867, 876,
 &end
#
# 18 VAL QQG 57 TYR QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 869, 874,
 &end
#
# 18 VAL QQG 63 ALA H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 63 ALA HA 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 63 ALA QB 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2= 967, 968, 969,
 &end
#
# 18 VAL QQG 66 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 66 ALA QB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2=1011,1012,1013,
 &end
#
# 18 VAL QQG 67 VAL H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 67 VAL HA 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 67 VAL QQG 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 18 VAL QQG 82 ILE HA 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 82 ILE HB 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 82 ILE QG1 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2=1235,1236,
 &end
#
# 18 VAL QQG 82 ILE QG2 2.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 252, 253, 254, 256, 257, 258,
 igr2=1231,1232,1233,
 &end
#
# 18 VAL QQG 83 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 18 VAL QQG 83 ASN HA 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 252, 253, 254, 256, 257, 258,
 &end
#
# 19 PHE H 19 PHE HB2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 19 PHE H 19 PHE HB3 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 267, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 19 PHE H 19 PHE QD 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 270, 278,
 &end
#
# 19 PHE H 20 ILE H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 19 PHE H 20 ILE HG13 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 293, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 19 PHE H 20 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 295, 296, 297,
 &end
#
# 19 PHE H 54 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE H 82 ILE HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1227, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 19 PHE H 83 ASN H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1244, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 19 PHE H 83 ASN QD2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1253,1254,
 &end
#
# 19 PHE H 84 LEU H 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1258, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 19 PHE H 84 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 19 PHE H 85 ALA HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 PHE H 85 ALA QB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1281,1282,1283,
 &end
#
# 19 PHE HA 19 PHE QD 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 270, 278,
 &end
#
# 19 PHE HA 20 ILE H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 282, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 19 PHE HA 20 ILE HB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 286, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 19 PHE HA 20 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE HA 20 ILE HG13 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 293, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 19 PHE HA 20 ILE QD1 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 295, 296, 297,
 &end
#
# 19 PHE HA 54 PHE HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 808, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 19 PHE HA 54 PHE QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 810, 811,
 &end
#
# 19 PHE HA 55 VAL H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 826, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 19 PHE HA 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 19 PHE HB2 20 ILE H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 282, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 19 PHE HB2 54 PHE QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 814, 822,
 &end
#
# 19 PHE HB2 85 ALA HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,1279, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 19 PHE HB2 85 ALA QB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1281,1282,1283,
 &end
#
# 19 PHE HB3 20 ILE H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 282, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 19 PHE HB3 83 ASN H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1244, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 19 PHE HB3 83 ASN QD2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1253,1254,
 &end
#
# 19 PHE HB3 84 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE HB3 85 ALA H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1277, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 19 PHE HB3 85 ALA HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1279, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 19 PHE HB3 85 ALA QB 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1281,1282,1283,
 &end
#
# 19 PHE HZ 21 GLY QA 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 303, 304,
 &end
#
# 19 PHE HZ 22 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE QD 20 ILE H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 270, 278,
 &end
#
# 19 PHE QD 21 GLY QA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 270, 278,
 igr2= 303, 304,
 &end
#
# 19 PHE QD 52 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 270, 278,
 igr2= 786, 790,
 &end
#
# 19 PHE QD 53 ALA H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 270, 278,
 &end
#
# 19 PHE QD 83 ASN H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 270, 278,
 &end
#
# 19 PHE QD 85 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 270, 278,
 &end
#
# 19 PHE QE 21 GLY H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 272, 276,
 &end
#
# 19 PHE QE 21 GLY QA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 272, 276,
 igr2= 303, 304,
 &end
#
# 19 PHE QE 22 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 272, 276,
 &end
#
# 19 PHE QE 52 PHE QB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 272, 276,
 igr2= 780, 781,
 &end
#
# 20 ILE H 20 ILE HB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 20 ILE H 20 ILE HG12 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 292, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 20 ILE H 20 ILE HG13 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 293, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 20 ILE H 20 ILE QD1 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 295, 296, 297,
 &end
#
# 20 ILE H 20 ILE QG2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 288, 289, 290,
 &end
#
# 20 ILE H 21 GLY H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 301, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 20 ILE H 53 ALA H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20 ILE H 53 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 800, 801, 802,
 &end
#
# 20 ILE H 54 PHE HA 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 808, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 20 ILE H 54 PHE QD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 814, 822,
 &end
#
# 20 ILE H 82 ILE QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1235,1236,
 &end
#
# 20 ILE H 83 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ILE HA 20 ILE HG12 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 292, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 20 ILE HA 20 ILE HG13 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 293, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 20 ILE HA 20 ILE QD1 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 295, 296, 297,
 &end
#
# 20 ILE HA 20 ILE QG2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 288, 289, 290,
 &end
#
# 20 ILE HA 21 GLY QA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 303, 304,
 &end
#
# 20 ILE HA 37 PHE HZ 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 559, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 20 ILE HA 82 ILE H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1225, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 20 ILE HA 82 ILE HA 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 20 ILE HA 82 ILE HB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1229, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 20 ILE HA 82 ILE QD1 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1238,1239,1240,
 &end
#
# 20 ILE HA 82 ILE QG1 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1235,1236,
 &end
#
# 20 ILE HA 82 ILE QG2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1231,1232,1233,
 &end
#
# 20 ILE HA 83 ASN H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 284,1244, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 20 ILE HB 20 ILE QD1 2.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 295, 296, 297,
 &end
#
# 20 ILE HB 23 LEU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 326, 327,
 &end
#
# 20 ILE HB 23 LEU QQD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 20 ILE HB 33 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 20 ILE HB 53 ALA H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 20 ILE HB 54 PHE HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 808, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 20 ILE HG12 37 PHE HZ 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 559, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 20 ILE HG12 37 PHE QE 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 557, 561,
 &end
#
# 20 ILE HG12 66 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1011,1012,1013,
 &end
#
# 20 ILE HG12 80 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 ILE HG12 80 LEU QQD 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 20 ILE HG12 82 ILE HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,1227, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 20 ILE HG12 82 ILE QD1 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1238,1239,1240,
 &end
#
# 20 ILE HG12 82 ILE QG1 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1235,1236,
 &end
#
# 20 ILE HG12 82 ILE QG2 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1231,1232,1233,
 &end
#
# 20 ILE HG13 21 GLY H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 301, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 20 ILE HG13 33 VAL QQG 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 20 ILE HG13 37 PHE QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 557, 561,
 &end
#
# 20 ILE HG13 54 PHE HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 808, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 20 ILE HG13 55 VAL H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 826, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 20 ILE HG13 55 VAL QQG 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 20 ILE HG13 82 ILE HA 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 293,1227, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 20 ILE QD1 21 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 23 LEU QQD 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
 igr1= 295, 296, 297,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 20 ILE QD1 33 VAL HA 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 33 VAL HB 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 33 VAL QQG 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 295, 296, 297,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 20 ILE QD1 36 ILE HB 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 36 ILE QD1 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 295, 296, 297,
 igr2= 541, 542, 543,
 &end
#
# 20 ILE QD1 36 ILE QG2 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 295, 296, 297,
 igr2= 534, 535, 536,
 &end
#
# 20 ILE QD1 37 PHE HB2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 37 PHE HB3 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 37 PHE HZ 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 37 PHE QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 295, 296, 297,
 igr2= 555, 563,
 &end
#
# 20 ILE QD1 37 PHE QE 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 295, 296, 297,
 igr2= 557, 561,
 &end
#
# 20 ILE QD1 43 ILE QD1 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 295, 296, 297,
 igr2= 663, 664, 665,
 &end
#
# 20 ILE QD1 47 SER H 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 48 VAL QQG 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
 igr1= 295, 296, 297,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 20 ILE QD1 53 ALA H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 53 ALA HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 53 ALA QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 295, 296, 297,
 igr2= 800, 801, 802,
 &end
#
# 20 ILE QD1 54 PHE H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 54 PHE HA 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 55 VAL H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 55 VAL HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 55 VAL HB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 55 VAL QQG 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 295, 296, 297,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 20 ILE QD1 66 ALA QB 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 295, 296, 297,
 igr2=1011,1012,1013,
 &end
#
# 20 ILE QD1 67 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 295, 296, 297,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 20 ILE QD1 80 LEU QQD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr1= 295, 296, 297,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 20 ILE QD1 82 ILE HA 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 295, 296, 297,
 &end
#
# 20 ILE QD1 82 ILE QD1 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 295, 296, 297,
 igr2=1238,1239,1240,
 &end
#
# 20 ILE QD1 82 ILE QG1 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 295, 296, 297,
 igr2=1235,1236,
 &end
#
# 20 ILE QD1 82 ILE QG2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 295, 296, 297,
 igr2=1231,1232,1233,
 &end
#
# 20 ILE QG2 20 ILE HG12 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 20 ILE HG13 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 20 ILE QD1 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 288, 289, 290,
 igr2= 295, 296, 297,
 &end
#
# 20 ILE QG2 21 GLY H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 23 LEU H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 23 LEU HA 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 23 LEU QB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 288, 289, 290,
 igr2= 326, 327,
 &end
#
# 20 ILE QG2 23 LEU QQD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 288, 289, 290,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 20 ILE QG2 33 VAL QQG 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 288, 289, 290,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 20 ILE QG2 37 PHE HZ 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 37 PHE QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 288, 289, 290,
 igr2= 555, 563,
 &end
#
# 20 ILE QG2 37 PHE QE 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 288, 289, 290,
 igr2= 557, 561,
 &end
#
# 20 ILE QG2 53 ALA H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 53 ALA QB 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 288, 289, 290,
 igr2= 800, 801, 802,
 &end
#
# 20 ILE QG2 75 ILE QD1 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 288, 289, 290,
 igr2=1138,1139,1140,
 &end
#
# 20 ILE QG2 80 LEU HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 80 LEU HB2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 80 LEU HB3 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 80 LEU QQD 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 288, 289, 290,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 20 ILE QG2 81 ASP H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 82 ILE HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 82 ILE HB 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 288, 289, 290,
 &end
#
# 20 ILE QG2 82 ILE QD1 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 288, 289, 290,
 igr2=1238,1239,1240,
 &end
#
# 20 ILE QG2 82 ILE QG1 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 288, 289, 290,
 igr2=1235,1236,
 &end
#
# 20 ILE QG2 82 ILE QG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 288, 289, 290,
 igr2=1231,1232,1233,
 &end
#
# 21 GLY H 22 ASN H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 21 GLY H 23 LEU H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 322, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 21 GLY H 81 ASP H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1213, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 21 GLY H 81 ASP HA 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1215, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 21 GLY H 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
# 21 GLY H 82 ILE H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1225, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 21 GLY H 82 ILE HA 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1227, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 21 GLY H 82 ILE QG1 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1235,1236,
 &end
#
# 21 GLY QA 22 ASN HA 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 303, 304,
 &end
#
# 21 GLY QA 22 ASN HB3 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 303, 304,
 &end
#
# 21 GLY QA 23 LEU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 303, 304,
 &end
#
# 21 GLY QA 52 PHE HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 303, 304,
 &end
#
# 21 GLY QA 52 PHE QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 303, 304,
 igr2= 780, 781,
 &end
#
# 22 ASN H 23 LEU H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 22 ASN H 23 LEU QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 326, 327,
 &end
#
# 22 ASN H 25 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 361, 362, 363,
 &end
#
# 22 ASN H 52 PHE HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 778, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 22 ASN H 52 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 784, 792,
 &end
#
# 22 ASN HA 23 LEU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 326, 327,
 &end
#
# 22 ASN HB2 80 LEU HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,1196, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 22 ASN HB2 81 ASP QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1217,1218,
 &end
#
# 22 ASN HB3 22 ASN HD21 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 22 ASN HB3 80 LEU HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 22 ASN HB3 80 LEU QQD 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 22 ASN HB3 81 ASP H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 22 ASN HB3 81 ASP QB 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1217,1218,
 &end
#
# 22 ASN HD21 78 GLN QB 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1165,1166,
 &end
#
# 22 ASN HD21 79 VAL HB 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1182, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 22 ASN HD21 79 VAL QQG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 22 ASN HD21 80 LEU HA 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1196, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 22 ASN HD21 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 22 ASN HD22 78 GLN HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1163, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 22 ASN HD22 78 GLN QB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1165,1166,
 &end
#
# 22 ASN HD22 79 VAL H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1178, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 22 ASN HD22 79 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 ASN HD22 79 VAL QQG 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 23 LEU H 23 LEU HG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU H 23 LEU QB 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 326, 327,
 &end
#
# 23 LEU H 23 LEU QQD 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU H 25 THR QG2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 361, 362, 363,
 &end
#
# 23 LEU H 52 PHE HA 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 778, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 23 LEU H 80 LEU QQD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 23 LEU HA 23 LEU QQD 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU HA 80 LEU HA 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,1196, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 23 LEU HA 80 LEU HB3 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,1199, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 23 LEU HA 80 LEU QQD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 23 LEU HG 24 ASN H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 23 LEU HG 25 THR H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 355, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 23 LEU HG 25 THR QG2 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 361, 362, 363,
 &end
#
# 23 LEU HG 28 VAL HB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 408, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 23 LEU HG 28 VAL QG1 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 410, 411, 412,
 &end
#
# 23 LEU HG 28 VAL QG2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 414, 415, 416,
 &end
#
# 23 LEU HG 53 ALA QB 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 800, 801, 802,
 &end
#
# 23 LEU HG 75 ILE QD1 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1138,1139,1140,
 &end
#
# 23 LEU QB 23 LEU QQD 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 326, 327,
 igr2= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QB 25 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 326, 327,
 &end
#
# 23 LEU QB 25 THR QG2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 326, 327,
 igr2= 361, 362, 363,
 &end
#
# 23 LEU QB 52 PHE H 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 326, 327,
 &end
#
# 23 LEU QB 52 PHE HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 326, 327,
 &end
#
# 23 LEU QB 53 ALA H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 326, 327,
 &end
#
# 23 LEU QB 80 LEU QQD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 326, 327,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 23 LEU QQD 24 ASN H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 24 ASN QB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 345, 346,
 &end
#
# 23 LEU QQD 24 ASN QD2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 350, 351,
 &end
#
# 23 LEU QQD 25 THR H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 25 THR HA 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 25 THR HB 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 25 THR QG2 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 361, 362, 363,
 &end
#
# 23 LEU QQD 26 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 27 VAL H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 28 VAL H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 28 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 28 VAL HB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 28 VAL QG1 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 410, 411, 412,
 &end
#
# 23 LEU QQD 28 VAL QG2 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 414, 415, 416,
 &end
#
# 23 LEU QQD 33 VAL HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 33 VAL HB 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 33 VAL QQG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 23 LEU QQD 36 ILE QD1 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 541, 542, 543,
 &end
#
# 23 LEU QQD 37 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 48 VAL HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 48 VAL HB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 48 VAL QQG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 23 LEU QQD 49 HIS H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 52 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 52 PHE HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 53 ALA H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 53 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 53 ALA QB 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2= 800, 801, 802,
 &end
#
# 23 LEU QQD 75 ILE HB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 75 ILE QD1 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2=1138,1139,1140,
 &end
#
# 23 LEU QQD 75 ILE QG2 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2=1131,1132,1133,
 &end
#
# 23 LEU QQD 80 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 80 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332, 333, 335, 336, 337,
 &end
#
# 23 LEU QQD 80 LEU QQD 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 331, 332, 333, 335, 336, 337,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 24 ASN H 24 ASN QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 345, 346,
 &end
#
# 24 ASN H 24 ASN QD2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 350, 351,
 &end
#
# 24 ASN H 25 THR H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 355, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 24 ASN H 25 THR QG2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 361, 362, 363,
 &end
#
# 24 ASN H 75 ILE QG2 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1131,1132,1133,
 &end
#
# 24 ASN H 76 ALA QB 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1148,1149,1150,
 &end
#
# 24 ASN H 78 GLN H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,1161, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 24 ASN H 78 GLN QB 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1165,1166,
 &end
#
# 24 ASN HA 24 ASN QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 350, 351,
 &end
#
# 24 ASN HA 25 THR QG2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 361, 362, 363,
 &end
#
# 24 ASN HA 26 LEU H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 369, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 24 ASN HA 27 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 24 ASN HA 76 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1148,1149,1150,
 &end
#
# 24 ASN HA 78 GLN HE21 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,1174, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 24 ASN HA 78 GLN HE22 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 24 ASN HA 78 GLN QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1165,1166,
 &end
#
# 24 ASN QB 24 ASN QD2 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 345, 346,
 igr2= 350, 351,
 &end
#
# 24 ASN QB 25 THR H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 26 LEU H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 27 VAL H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 27 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 27 VAL QQG 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 345, 346,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 24 ASN QB 28 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 28 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 75 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 345, 346,
 igr2=1131,1132,1133,
 &end
#
# 24 ASN QB 76 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 76 ALA QB 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 345, 346,
 igr2=1148,1149,1150,
 &end
#
# 24 ASN QB 77 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 78 GLN H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 78 GLN HE21 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 78 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 345, 346,
 &end
#
# 24 ASN QB 78 GLN QB 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 345, 346,
 igr2=1165,1166,
 &end
#
# 24 ASN QB 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 345, 346,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 24 ASN QD2 25 THR HA 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 350, 351,
 &end
#
# 24 ASN QD2 25 THR QG2 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 350, 351,
 igr2= 361, 362, 363,
 &end
#
# 24 ASN QD2 26 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 350, 351,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 24 ASN QD2 27 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 351,
 &end
#
# 24 ASN QD2 27 VAL QQG 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 350, 351,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 24 ASN QD2 28 VAL HB 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 350, 351,
 &end
#
# 24 ASN QD2 75 ILE HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 351,
 &end
#
# 24 ASN QD2 75 ILE QG2 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 350, 351,
 igr2=1131,1132,1133,
 &end
#
# 24 ASN QD2 76 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 351,
 &end
#
# 24 ASN QD2 76 ALA QB 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 350, 351,
 igr2=1148,1149,1150,
 &end
#
# 24 ASN QD2 78 GLN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 350, 351,
 igr2=1165,1166,
 &end
#
# 25 THR H 25 THR QG2 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 361, 362, 363,
 &end
#
# 25 THR H 26 LEU H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 25 THR H 26 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 THR H 27 VAL H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 388, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 25 THR H 28 VAL QG1 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 410, 411, 412,
 &end
#
# 25 THR HA 25 THR QG2 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 361, 362, 363,
 &end
#
# 25 THR HA 27 VAL H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 388, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 25 THR HA 28 VAL H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 404, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 25 THR HA 28 VAL HB 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 408, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 25 THR HA 28 VAL QG1 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 410, 411, 412,
 &end
#
# 25 THR HA 28 VAL QG2 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 414, 415, 416,
 &end
#
# 25 THR HA 29 LYS HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 422, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 25 THR HA 48 VAL QQG 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 25 THR HA 76 ALA QB 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1148,1149,1150,
 &end
#
# 25 THR HB 48 VAL QQG 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 25 THR QG2 26 LEU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 26 LEU QQD 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 361, 362, 363,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 25 THR QG2 28 VAL H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 28 VAL HB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 28 VAL QG1 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 361, 362, 363,
 igr2= 410, 411, 412,
 &end
#
# 25 THR QG2 48 VAL QQG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 361, 362, 363,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 25 THR QG2 49 HIS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 49 HIS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 50 LYS HA 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 51 GLY H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 51 GLY QA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 361, 362, 363,
 igr2= 771, 772,
 &end
#
# 25 THR QG2 52 PHE H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 361, 362, 363,
 &end
#
# 25 THR QG2 52 PHE HA 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 361, 362, 363,
 &end
#
# 26 LEU H 26 LEU HG 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 376, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 26 LEU H 26 LEU QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 373, 374,
 &end
#
# 26 LEU H 26 LEU QQD 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 26 LEU H 27 VAL H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 388, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 26 LEU H 27 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LEU H 27 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LEU H 27 VAL QQG 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 26 LEU H 28 VAL H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 404, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 26 LEU HA 26 LEU QQD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 26 LEU HG 27 VAL H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 388, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 26 LEU HG 27 VAL QQG 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 26 LEU QB 26 LEU QQD 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 373, 374,
 igr2= 378, 379, 380, 382, 383, 384,
 &end
#
# 26 LEU QB 27 VAL H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 373, 374,
 &end
#
# 26 LEU QB 27 VAL HA 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 373, 374,
 &end
#
# 26 LEU QB 27 VAL QQG 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
 igr1= 373, 374,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 26 LEU QQD 27 VAL H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 378, 379, 380, 382, 383, 384,
 &end
#
# 26 LEU QQD 27 VAL HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 378, 379, 380, 382, 383, 384,
 &end
#
# 26 LEU QQD 27 VAL QQG 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1= 378, 379, 380, 382, 383, 384,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 27 VAL H 27 VAL HB 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 27 VAL H 27 VAL QQG 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 27 VAL H 28 VAL H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 404, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 27 VAL H 28 VAL HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 27 VAL H 28 VAL HB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 408, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 27 VAL H 76 ALA QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1148,1149,1150,
 &end
#
# 27 VAL HA 27 VAL QQG 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 394, 395, 396, 398, 399, 400,
 &end
#
# 27 VAL HA 29 LYS QE 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 433, 434,
 &end
#
# 27 VAL HA 76 ALA QB 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1148,1149,1150,
 &end
#
# 27 VAL HB 28 VAL H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 27 VAL HB 28 VAL HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 406, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 27 VAL HB 76 ALA HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 392,1146, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 27 VAL HB 76 ALA QB 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1148,1149,1150,
 &end
#
# 27 VAL QQG 29 LYS QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 394, 395, 396, 398, 399, 400,
 igr2= 430, 431,
 &end
#
# 27 VAL QQG 29 LYS QE 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 394, 395, 396, 398, 399, 400,
 igr2= 433, 434,
 &end
#
# 27 VAL QQG 76 ALA HA 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 394, 395, 396, 398, 399, 400,
 &end
#
# 27 VAL QQG 76 ALA QB 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 394, 395, 396, 398, 399, 400,
 igr2=1148,1149,1150,
 &end
#
# 28 VAL H 28 VAL HB 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 28 VAL H 28 VAL QG1 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 410, 411, 412,
 &end
#
# 28 VAL H 28 VAL QG2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 414, 415, 416,
 &end
#
# 28 VAL H 29 LYS H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 28 VAL H 76 ALA QB 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1148,1149,1150,
 &end
#
# 28 VAL HA 28 VAL QG1 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 410, 411, 412,
 &end
#
# 28 VAL HA 28 VAL QG2 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 414, 415, 416,
 &end
#
# 28 VAL HA 29 LYS H 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28 VAL HA 29 LYS HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 28 VAL HA 29 LYS HB3 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 425, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 28 VAL HA 29 LYS HG2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 427, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 28 VAL HA 29 LYS QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 430, 431,
 &end
#
# 28 VAL HA 32 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 VAL HA 32 ASP HB2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 479, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 28 VAL HA 32 ASP HB3 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 480, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 28 VAL HA 36 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 541, 542, 543,
 &end
#
# 28 VAL HA 75 ILE QG2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1131,1132,1133,
 &end
#
# 28 VAL HA 76 ALA QB 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1148,1149,1150,
 &end
#
# 28 VAL HB 29 LYS H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 28 VAL HB 32 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 VAL HB 32 ASP HB3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 28 VAL HB 76 ALA QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1148,1149,1150,
 &end
#
# 28 VAL QG1 29 LYS H 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 29 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 29 LYS HB3 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 29 LYS HG2 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 29 LYS QD 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 410, 411, 412,
 igr2= 430, 431,
 &end
#
# 28 VAL QG1 30 LYS H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 32 ASP HB2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 32 ASP HB3 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 410, 411, 412,
 &end
#
# 28 VAL QG1 33 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 410, 411, 412,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 28 VAL QG1 48 VAL QQG 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 410, 411, 412,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 28 VAL QG1 53 ALA QB 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 410, 411, 412,
 igr2= 800, 801, 802,
 &end
#
# 28 VAL QG2 29 LYS H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 29 LYS HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 29 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 29 LYS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 29 LYS HG2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 29 LYS QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 414, 415, 416,
 igr2= 430, 431,
 &end
#
# 28 VAL QG2 29 LYS QE 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 414, 415, 416,
 igr2= 433, 434,
 &end
#
# 28 VAL QG2 30 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 32 ASP H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 32 ASP HA 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 32 ASP HB2 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 32 ASP HB3 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 33 VAL H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 33 VAL HA 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 33 VAL HB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 414, 415, 416,
 &end
#
# 28 VAL QG2 33 VAL QQG 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 414, 415, 416,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 28 VAL QG2 76 ALA QB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 414, 415, 416,
 igr2=1148,1149,1150,
 &end
#
# 28 VAL QG2 80 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 414, 415, 416,
 &end
#
# 29 LYS H 29 LYS HB2 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 29 LYS H 29 LYS HB3 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 29 LYS H 29 LYS HG2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 29 LYS H 29 LYS HG3 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 29 LYS H 29 LYS QD 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 430, 431,
 &end
#
# 29 LYS H 29 LYS QE 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 433, 434,
 &end
#
# 29 LYS H 32 ASP H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 475, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 29 LYS H 32 ASP HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 29 LYS H 32 ASP HB2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 479, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 29 LYS H 32 ASP HB3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 480, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 29 LYS H 33 VAL H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 29 LYS H 48 VAL QQG 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HA 29 LYS HG2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 29 LYS HA 29 LYS HG3 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 428, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 29 LYS HA 29 LYS QD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 430, 431,
 &end
#
# 29 LYS HA 29 LYS QE 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 433, 434,
 &end
#
# 29 LYS HA 30 LYS H 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 29 LYS HA 30 LYS HA 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 444, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 29 LYS HA 30 LYS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HA 31 SER H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 464, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 29 LYS HA 32 ASP H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 475, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 29 LYS HA 32 ASP HB2 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 479, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 29 LYS HA 48 VAL QQG 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HB2 29 LYS QD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 430, 431,
 &end
#
# 29 LYS HB2 29 LYS QE 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 433, 434,
 &end
#
# 29 LYS HB2 30 LYS H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 442, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 29 LYS HB2 30 LYS HB3 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 447, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 29 LYS HB2 31 SER H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 464, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 29 LYS HB2 32 ASP H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 475, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 29 LYS HB3 29 LYS QD 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 430, 431,
 &end
#
# 29 LYS HB3 29 LYS QE 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 433, 434,
 &end
#
# 29 LYS HB3 30 LYS H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 29 LYS HB3 31 SER H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 464, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 29 LYS HB3 32 ASP H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 475, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 LYS HG2 29 LYS QD 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 430, 431,
 &end
#
# 29 LYS HG2 29 LYS QE 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 433, 434,
 &end
#
# 29 LYS HG2 32 ASP H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 475, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 29 LYS HG2 33 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 29 LYS HG2 48 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 29 LYS HG3 31 SER H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 464, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 29 LYS HG3 31 SER QB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 468, 469,
 &end
#
# 29 LYS HG3 32 ASP H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 475, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 29 LYS QD 29 LYS QE 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 430, 431,
 igr2= 433, 434,
 &end
#
# 29 LYS QD 32 ASP HB2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 430, 431,
 &end
#
# 30 LYS H 30 LYS HB2 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 30 LYS H 30 LYS HG3 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 30 LYS H 30 LYS QD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 452, 453,
 &end
#
# 30 LYS H 31 SER H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 30 LYS H 31 SER HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 466, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 30 LYS H 31 SER QB 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 468, 469,
 &end
#
# 30 LYS H 32 ASP H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 475, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 30 LYS H 48 VAL QQG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 LYS HA 30 LYS HG2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 30 LYS HA 30 LYS HG3 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 450, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 30 LYS HA 30 LYS QD 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 452, 453,
 &end
#
# 30 LYS HA 30 LYS QE 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 455, 456,
 &end
#
# 30 LYS HA 32 ASP H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 475, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 30 LYS HA 33 VAL H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 487, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 30 LYS HA 33 VAL HB 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 491, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 30 LYS HA 33 VAL QQG 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 30 LYS HA 34 GLU QG 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 510, 511,
 &end
#
# 30 LYS HA 48 VAL HB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 718, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 30 LYS HA 48 VAL QQG 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 LYS HB2 30 LYS QE 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 455, 456,
 &end
#
# 30 LYS HB2 31 SER H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 30 LYS HB2 48 VAL QQG 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 LYS HB3 30 LYS QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 455, 456,
 &end
#
# 30 LYS HB3 48 VAL QQG 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 LYS HG2 30 LYS QE 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 455, 456,
 &end
#
# 30 LYS HG2 34 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
# 30 LYS HG2 48 VAL QQG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 LYS HG3 30 LYS QE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 455, 456,
 &end
#
# 30 LYS HG3 31 SER H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 30 LYS HG3 31 SER HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 30 LYS HG3 34 GLU QG 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 510, 511,
 &end
#
# 30 LYS QD 34 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 452, 453,
 igr2= 510, 511,
 &end
#
# 30 LYS QD 47 SER HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 452, 453,
 &end
#
# 30 LYS QD 48 VAL H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 452, 453,
 &end
#
# 30 LYS QD 48 VAL QQG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 452, 453,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 30 LYS QE 34 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 456,
 &end
#
# 30 LYS QE 34 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 455, 456,
 igr2= 510, 511,
 &end
#
# 30 LYS QE 46 CYS H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 455, 456,
 &end
#
# 30 LYS QE 46 CYS HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 455, 456,
 &end
#
# 30 LYS QE 46 CYS QB 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 455, 456,
 igr2= 696, 697,
 &end
#
# 30 LYS QE 47 SER HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 455, 456,
 &end
#
# 30 LYS QE 48 VAL H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 455, 456,
 &end
#
# 30 LYS QE 48 VAL QQG 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 455, 456,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 31 SER H 31 SER QB 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 468, 469,
 &end
#
# 31 SER H 32 ASP H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 31 SER H 32 ASP HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 31 SER H 32 ASP HB2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 31 SER H 32 ASP HB3 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 480, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 31 SER H 33 VAL QQG 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 31 SER H 48 VAL QQG 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 31 SER HA 32 ASP HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 31 SER HA 34 GLU H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 31 SER HA 34 GLU QB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 507, 508,
 &end
#
# 31 SER HA 34 GLU QG 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 510, 511,
 &end
#
# 31 SER HA 35 ALA H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 518, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 31 SER HA 35 ALA QB 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 522, 523, 524,
 &end
#
# 31 SER QB 32 ASP H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 468, 469,
 &end
#
# 31 SER QB 32 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 468, 469,
 &end
#
# 31 SER QB 35 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 468, 469,
 igr2= 522, 523, 524,
 &end
#
# 32 ASP H 32 ASP HB2 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 32 ASP H 32 ASP HB3 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 480, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 32 ASP H 33 VAL H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 487, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 32 ASP H 33 VAL HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 489, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 32 ASP H 33 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ASP H 33 VAL QQG 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 ASP H 34 GLU H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 503, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 32 ASP H 35 ALA H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 518, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 32 ASP H 35 ALA QB 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 522, 523, 524,
 &end
#
# 32 ASP H 36 ILE QD1 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 541, 542, 543,
 &end
#
# 32 ASP HA 33 VAL HA 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 489, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 32 ASP HA 33 VAL QQG 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 ASP HA 34 GLU H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 503, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 32 ASP HA 35 ALA H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 518, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 32 ASP HA 35 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ASP HA 35 ALA QB 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 522, 523, 524,
 &end
#
# 32 ASP HA 36 ILE H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 528, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 32 ASP HA 36 ILE QD1 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 541, 542, 543,
 &end
#
# 32 ASP HB2 33 VAL H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 32 ASP HB2 33 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 ASP HB2 33 VAL QQG 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 ASP HB2 35 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 522, 523, 524,
 &end
#
# 32 ASP HB2 36 ILE QD1 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 541, 542, 543,
 &end
#
# 32 ASP HB2 75 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1131,1132,1133,
 &end
#
# 32 ASP HB3 33 VAL H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 32 ASP HB3 33 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 32 ASP HB3 35 ALA H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 32 ASP HB3 35 ALA QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 522, 523, 524,
 &end
#
# 32 ASP HB3 36 ILE QD1 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 541, 542, 543,
 &end
#
# 32 ASP HB3 48 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 33 VAL H 33 VAL HB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 33 VAL H 33 VAL QQG 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL H 34 GLU H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 503, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 33 VAL H 34 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
# 33 VAL H 35 ALA QB 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 522, 523, 524,
 &end
#
# 33 VAL H 48 VAL QQG 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 33 VAL HA 33 VAL QQG 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL HA 34 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
# 33 VAL HA 35 ALA H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 518, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 33 VAL HA 35 ALA QB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523, 524,
 &end
#
# 33 VAL HA 36 ILE H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 33 VAL HA 36 ILE HB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 532, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 33 VAL HA 36 ILE HG12 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 538, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 33 VAL HA 36 ILE HG13 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 539, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 33 VAL HA 36 ILE QD1 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 541, 542, 543,
 &end
#
# 33 VAL HA 36 ILE QG2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 534, 535, 536,
 &end
#
# 33 VAL HA 37 PHE HB2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 33 VAL HA 37 PHE QD 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 555, 563,
 &end
#
# 33 VAL HA 37 PHE QE 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 557, 561,
 &end
#
# 33 VAL HA 43 ILE QD1 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 663, 664, 665,
 &end
#
# 33 VAL HA 48 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 33 VAL HA 55 VAL QQG 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 33 VAL HB 34 GLU H 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 33 VAL HB 37 PHE QD 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 555, 563,
 &end
#
# 33 VAL HB 48 VAL QQG 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 33 VAL HB 55 VAL QQG 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 33 VAL QQG 34 GLU H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 34 GLU HA 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 34 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 510, 511,
 &end
#
# 33 VAL QQG 35 ALA H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 36 ILE H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 36 ILE HB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 36 ILE QD1 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 541, 542, 543,
 &end
#
# 33 VAL QQG 36 ILE QG2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 534, 535, 536,
 &end
#
# 33 VAL QQG 37 PHE H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 37 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 37 PHE HB2 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 37 PHE HB3 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 37 PHE HZ 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 37 PHE QD 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 555, 563,
 &end
#
# 33 VAL QQG 37 PHE QE 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 557, 561,
 &end
#
# 33 VAL QQG 43 ILE QD1 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 663, 664, 665,
 &end
#
# 33 VAL QQG 46 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 696, 697,
 &end
#
# 33 VAL QQG 48 VAL HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 48 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 48 VAL QQG 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 33 VAL QQG 53 ALA HA 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 53 ALA QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 800, 801, 802,
 &end
#
# 33 VAL QQG 54 PHE H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 55 VAL HA 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 55 VAL HB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
# 33 VAL QQG 55 VAL QQG 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 33 VAL QQG 75 ILE QD1 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2=1138,1139,1140,
 &end
#
# 34 GLU H 34 GLU QB 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 507, 508,
 &end
#
# 34 GLU H 34 GLU QG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 510, 511,
 &end
#
# 34 GLU H 35 ALA H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 34 GLU H 35 ALA HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 520, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 34 GLU HA 34 GLU QG 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 510, 511,
 &end
#
# 34 GLU HA 35 ALA HA 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 520, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 34 GLU HA 35 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 522, 523, 524,
 &end
#
# 34 GLU HA 37 PHE HB2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 551, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 34 GLU HA 37 PHE QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 555, 563,
 &end
#
# 34 GLU HA 38 SER H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 567, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 34 GLU HA 38 SER HB2 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 571, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 34 GLU HA 38 SER HB3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 572, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 34 GLU HA 43 ILE HB 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 654, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 34 GLU HA 43 ILE HG13 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 661, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 34 GLU HA 43 ILE QD1 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 663, 664, 665,
 &end
#
# 34 GLU HA 43 ILE QG2 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 656, 657, 658,
 &end
#
# 34 GLU HA 46 CYS QB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 696, 697,
 &end
#
# 34 GLU HA 55 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 34 GLU QB 35 ALA H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 507, 508,
 &end
#
# 34 GLU QB 35 ALA HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 507, 508,
 &end
#
# 34 GLU QB 35 ALA QB 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 507, 508,
 igr2= 522, 523, 524,
 &end
#
# 34 GLU QB 43 ILE QD1 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 507, 508,
 igr2= 663, 664, 665,
 &end
#
# 34 GLU QB 43 ILE QG2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 507, 508,
 igr2= 656, 657, 658,
 &end
#
# 34 GLU QG 35 ALA H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 510, 511,
 &end
#
# 34 GLU QG 35 ALA QB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 510, 511,
 igr2= 522, 523, 524,
 &end
#
# 34 GLU QG 43 ILE QD1 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 510, 511,
 igr2= 663, 664, 665,
 &end
#
# 34 GLU QG 43 ILE QG2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 510, 511,
 igr2= 656, 657, 658,
 &end
#
# 34 GLU QG 46 CYS QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 510, 511,
 igr2= 696, 697,
 &end
#
# 34 GLU QG 48 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 510, 511,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 35 ALA H 35 ALA QB 2.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,
 igr2= 522, 523, 524,
 &end
#
# 35 ALA H 36 ILE HG13 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 35 ALA H 36 ILE QD1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 541, 542, 543,
 &end
#
# 35 ALA H 43 ILE QD1 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 663, 664, 665,
 &end
#
# 35 ALA HA 37 PHE H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 547, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 35 ALA HA 38 SER HB3 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 572, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 35 ALA QB 36 ILE H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 522, 523, 524,
 &end
#
# 35 ALA QB 36 ILE HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 522, 523, 524,
 &end
#
# 35 ALA QB 36 ILE HB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 522, 523, 524,
 &end
#
# 35 ALA QB 36 ILE HG13 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 522, 523, 524,
 &end
#
# 35 ALA QB 36 ILE QD1 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 522, 523, 524,
 igr2= 541, 542, 543,
 &end
#
# 35 ALA QB 36 ILE QG2 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 522, 523, 524,
 igr2= 534, 535, 536,
 &end
#
# 35 ALA QB 37 PHE H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 522, 523, 524,
 &end
#
# 35 ALA QB 38 SER H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 522, 523, 524,
 &end
#
# 36 ILE H 36 ILE HB 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 36 ILE H 36 ILE HG12 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 538, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 36 ILE H 36 ILE HG13 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 539, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 36 ILE H 36 ILE QD1 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 541, 542, 543,
 &end
#
# 36 ILE H 36 ILE QG2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 534, 535, 536,
 &end
#
# 36 ILE H 37 PHE H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 36 ILE H 37 PHE HA 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 549, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 36 ILE H 37 PHE HB2 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 551, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 36 ILE H 37 PHE QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 555, 563,
 &end
#
# 36 ILE H 37 PHE QE 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 557, 561,
 &end
#
# 36 ILE H 38 SER H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 567, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 36 ILE HA 36 ILE HG12 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 36 ILE HA 36 ILE HG13 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 539, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 36 ILE HA 36 ILE QD1 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 541, 542, 543,
 &end
#
# 36 ILE HA 36 ILE QG2 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 534, 535, 536,
 &end
#
# 36 ILE HA 37 PHE QD 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 555, 563,
 &end
#
# 36 ILE HA 37 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 557, 561,
 &end
#
# 36 ILE HA 39 LYS QD 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 588, 589,
 &end
#
# 36 ILE HA 39 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 591, 592,
 &end
#
# 36 ILE HA 39 LYS QG 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 585, 586,
 &end
#
# 36 ILE HA 75 ILE QD1 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1138,1139,1140,
 &end
#
# 36 ILE HB 36 ILE QD1 2.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 541, 542, 543,
 &end
#
# 36 ILE HB 37 PHE H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 36 ILE HB 37 PHE HB2 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 551, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 36 ILE HB 37 PHE HZ 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 559, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 36 ILE HB 37 PHE QD 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 555, 563,
 &end
#
# 36 ILE HB 37 PHE QE 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 557, 561,
 &end
#
# 36 ILE HG12 37 PHE QD 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 555, 563,
 &end
#
# 36 ILE QD1 37 PHE QD 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 541, 542, 543,
 igr2= 555, 563,
 &end
#
# 36 ILE QD1 37 PHE QE 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 541, 542, 543,
 igr2= 557, 561,
 &end
#
# 36 ILE QD1 73 ARG HD3 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 541, 542, 543,
 &end
#
# 36 ILE QD1 75 ILE HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 541, 542, 543,
 &end
#
# 36 ILE QD1 75 ILE HG12 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 541, 542, 543,
 &end
#
# 36 ILE QD1 75 ILE HG13 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 541, 542, 543,
 &end
#
# 36 ILE QD1 75 ILE QD1 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 541, 542, 543,
 igr2=1138,1139,1140,
 &end
#
# 36 ILE QD1 75 ILE QG2 2.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 541, 542, 543,
 igr2=1131,1132,1133,
 &end
#
# 36 ILE QD1 76 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 36 ILE QG2 36 ILE HG12 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 36 ILE HG13 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 36 ILE QD1 2.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 534, 535, 536,
 igr2= 541, 542, 543,
 &end
#
# 36 ILE QG2 37 PHE H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 37 PHE HA 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 37 PHE HB2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 37 PHE HZ 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 37 PHE QD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 534, 535, 536,
 igr2= 555, 563,
 &end
#
# 36 ILE QG2 37 PHE QE 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 534, 535, 536,
 igr2= 557, 561,
 &end
#
# 36 ILE QG2 38 SER H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 39 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 39 LYS QD 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 534, 535, 536,
 igr2= 588, 589,
 &end
#
# 36 ILE QG2 39 LYS QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 534, 535, 536,
 igr2= 591, 592,
 &end
#
# 36 ILE QG2 40 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 534, 535, 536,
 igr2= 610, 615,
 &end
#
# 36 ILE QG2 66 ALA QB 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 534, 535, 536,
 igr2=1011,1012,1013,
 &end
#
# 36 ILE QG2 70 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 70 GLU QB 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 534, 535, 536,
 igr2=1054,1055,
 &end
#
# 36 ILE QG2 70 GLU QG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 534, 535, 536,
 igr2=1057,1058,
 &end
#
# 36 ILE QG2 73 ARG HD2 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 73 ARG HD3 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 73 ARG HE 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 73 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 75 ILE HG12 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 75 ILE HG13 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 534, 535, 536,
 &end
#
# 36 ILE QG2 75 ILE QD1 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 534, 535, 536,
 igr2=1138,1139,1140,
 &end
#
# 36 ILE QG2 75 ILE QG2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 534, 535, 536,
 igr2=1131,1132,1133,
 &end
#
# 36 ILE QG2 80 LEU QQD 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 534, 535, 536,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 36 ILE QG2 82 ILE QD1 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 534, 535, 536,
 igr2=1238,1239,1240,
 &end
#
# 37 PHE H 37 PHE HB2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 37 PHE H 37 PHE HB3 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 37 PHE H 37 PHE QD 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 555, 563,
 &end
#
# 37 PHE H 37 PHE QE 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 557, 561,
 &end
#
# 37 PHE H 38 SER H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 37 PHE H 38 SER HB2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 571, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 37 PHE H 38 SER HB3 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 572, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 37 PHE H 39 LYS H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 578, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 37 PHE H 43 ILE QD1 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 663, 664, 665,
 &end
#
# 37 PHE H 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE HA 37 PHE QD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 555, 563,
 &end
#
# 37 PHE HA 37 PHE QE 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 557, 561,
 &end
#
# 37 PHE HA 39 LYS H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 578, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 37 PHE HA 39 LYS QG 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 585, 586,
 &end
#
# 37 PHE HA 40 TYR H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 600, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 37 PHE HA 40 TYR HB2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 604, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 37 PHE HA 40 TYR HB3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 37 PHE HA 40 TYR QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 608, 617,
 &end
#
# 37 PHE HA 43 ILE QD1 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 663, 664, 665,
 &end
#
# 37 PHE HA 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE HA 57 TYR QE 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 869, 874,
 &end
#
# 37 PHE HA 66 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PHE HA 66 ALA QB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1011,1012,1013,
 &end
#
# 37 PHE HA 70 GLU QG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1057,1058,
 &end
#
# 37 PHE HB2 38 SER H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 37 PHE HB2 38 SER HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PHE HB2 43 ILE QD1 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 663, 664, 665,
 &end
#
# 37 PHE HB2 55 VAL QQG 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE HB2 66 ALA QB 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1011,1012,1013,
 &end
#
# 37 PHE HB3 38 SER H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 37 PHE HB3 38 SER HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 37 PHE HB3 39 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PHE HB3 40 TYR H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 600, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 37 PHE HB3 43 ILE HG12 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 660, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 37 PHE HB3 43 ILE HG13 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 PHE HB3 43 ILE QD1 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 663, 664, 665,
 &end
#
# 37 PHE HB3 55 VAL HB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 830, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 37 PHE HB3 55 VAL QQG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE HB3 57 TYR QD 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 867, 876,
 &end
#
# 37 PHE HB3 57 TYR QE 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 869, 874,
 &end
#
# 37 PHE HB3 66 ALA QB 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1011,1012,1013,
 &end
#
# 37 PHE HZ 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE HZ 66 ALA QB 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1011,1012,1013,
 &end
#
# 37 PHE HZ 70 GLU QB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1054,1055,
 &end
#
# 37 PHE HZ 70 GLU QG 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1057,1058,
 &end
#
# 37 PHE HZ 75 ILE QD1 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1138,1139,1140,
 &end
#
# 37 PHE HZ 80 LEU HB3 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,1199, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 37 PHE HZ 80 LEU QQD 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 37 PHE HZ 82 ILE QD1 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1238,1239,1240,
 &end
#
# 37 PHE HZ 82 ILE QG1 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1235,1236,
 &end
#
# 37 PHE HZ 82 ILE QG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1231,1232,1233,
 &end
#
# 37 PHE QD 37 PHE HZ 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 38 SER H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 40 TYR HB2 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 40 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 43 ILE QD1 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 555, 563,
 igr2= 663, 664, 665,
 &end
#
# 37 PHE QD 55 VAL HB 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 55 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 555, 563,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE QD 57 TYR QE 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 555, 563,
 igr2= 869, 874,
 &end
#
# 37 PHE QD 66 ALA H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 66 ALA HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 555, 563,
 &end
#
# 37 PHE QD 66 ALA QB 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 555, 563,
 igr2=1011,1012,1013,
 &end
#
# 37 PHE QD 70 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 555, 563,
 igr2=1054,1055,
 &end
#
# 37 PHE QD 70 GLU QG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 555, 563,
 igr2=1057,1058,
 &end
#
# 37 PHE QD 75 ILE QD1 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 555, 563,
 igr2=1138,1139,1140,
 &end
#
# 37 PHE QD 82 ILE QD1 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 555, 563,
 igr2=1238,1239,1240,
 &end
#
# 37 PHE QD 82 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= 555, 563,
 igr2=1231,1232,1233,
 &end
#
# 37 PHE QE 43 ILE QD1 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1= 557, 561,
 igr2= 663, 664, 665,
 &end
#
# 37 PHE QE 55 VAL QQG 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
 igr1= 557, 561,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 37 PHE QE 66 ALA HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 557, 561,
 &end
#
# 37 PHE QE 66 ALA QB 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 557, 561,
 igr2=1011,1012,1013,
 &end
#
# 37 PHE QE 67 VAL H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 557, 561,
 &end
#
# 37 PHE QE 70 GLU QB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 557, 561,
 igr2=1054,1055,
 &end
#
# 37 PHE QE 70 GLU QG 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1= 557, 561,
 igr2=1057,1058,
 &end
#
# 37 PHE QE 71 ASP HA 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 557, 561,
 &end
#
# 37 PHE QE 75 ILE QD1 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 557, 561,
 igr2=1138,1139,1140,
 &end
#
# 37 PHE QE 80 LEU HG 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 557, 561,
 &end
#
# 37 PHE QE 80 LEU QQD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 557, 561,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 37 PHE QE 82 ILE QD1 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 557, 561,
 igr2=1238,1239,1240,
 &end
#
# 37 PHE QE 82 ILE QG2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 557, 561,
 igr2=1231,1232,1233,
 &end
#
# 38 SER H 38 SER HB2 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 38 SER H 38 SER HB3 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 572, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 38 SER H 39 LYS H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 578, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 38 SER H 39 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 585, 586,
 &end
#
# 38 SER H 40 TYR H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 600, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 38 SER H 43 ILE QD1 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 663, 664, 665,
 &end
#
# 38 SER H 57 TYR QE 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 869, 874,
 &end
#
# 38 SER HA 40 TYR H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 600, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 38 SER HA 41 GLY H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 621, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 38 SER HA 43 ILE H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 38 SER HA 43 ILE HB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 654, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 38 SER HA 43 ILE HG12 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 660, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 38 SER HA 43 ILE HG13 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 661, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 38 SER HA 43 ILE QD1 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 663, 664, 665,
 &end
#
# 38 SER HA 43 ILE QG2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 656, 657, 658,
 &end
#
# 38 SER HA 57 TYR QE 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 869, 874,
 &end
#
# 38 SER HB2 39 LYS H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 578, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 38 SER HB2 43 ILE QD1 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 663, 664, 665,
 &end
#
# 38 SER HB2 43 ILE QG2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 656, 657, 658,
 &end
#
# 38 SER HB2 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 38 SER HB3 39 LYS H 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 578, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38 SER HB3 43 ILE HG13 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 661, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 38 SER HB3 43 ILE QD1 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 663, 664, 665,
 &end
#
# 39 LYS H 39 LYS HA 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 580, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 39 LYS H 39 LYS QB 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 582, 583,
 &end
#
# 39 LYS H 39 LYS QD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 588, 589,
 &end
#
# 39 LYS H 39 LYS QE 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 591, 592,
 &end
#
# 39 LYS H 39 LYS QG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 585, 586,
 &end
#
# 39 LYS H 40 TYR HA 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 602, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 39 LYS H 40 TYR HB2 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 604, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 39 LYS H 41 GLY H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 621, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 39 LYS H 43 ILE QD1 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 663, 664, 665,
 &end
#
# 39 LYS HA 39 LYS QB 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 582, 583,
 &end
#
# 39 LYS HA 39 LYS QD 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 588, 589,
 &end
#
# 39 LYS HA 39 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 591, 592,
 &end
#
# 39 LYS HA 39 LYS QG 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 585, 586,
 &end
#
# 39 LYS QB 39 LYS QD 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 582, 583,
 igr2= 588, 589,
 &end
#
# 39 LYS QB 39 LYS QE 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 582, 583,
 igr2= 591, 592,
 &end
#
# 39 LYS QB 40 TYR H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 582, 583,
 &end
#
# 39 LYS QB 40 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 582, 583,
 &end
#
# 39 LYS QB 40 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 582, 583,
 igr2= 610, 615,
 &end
#
# 39 LYS QB 41 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 582, 583,
 &end
#
# 39 LYS QD 39 LYS QE 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
# 39 LYS QD 40 TYR H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 588, 589,
 &end
#
# 39 LYS QD 40 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 588, 589,
 &end
#
# 39 LYS QD 40 TYR QE 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 588, 589,
 igr2= 610, 615,
 &end
#
# 39 LYS QE 40 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 591, 592,
 &end
#
# 39 LYS QE 40 TYR QE 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 591, 592,
 igr2= 610, 615,
 &end
#
# 39 LYS QE 70 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 591, 592,
 igr2=1057,1058,
 &end
#
# 39 LYS QG 39 LYS QD 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 585, 586,
 igr2= 588, 589,
 &end
#
# 39 LYS QG 39 LYS QE 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 585, 586,
 igr2= 591, 592,
 &end
#
# 39 LYS QG 40 TYR H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 585, 586,
 &end
#
# 39 LYS QG 40 TYR HB2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 585, 586,
 &end
#
# 39 LYS QG 40 TYR QD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 585, 586,
 igr2= 608, 617,
 &end
#
# 39 LYS QG 40 TYR QE 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 585, 586,
 igr2= 610, 615,
 &end
#
# 40 TYR H 40 TYR HB2 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 40 TYR H 40 TYR HB3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 40 TYR H 41 GLY H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 621, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 40 TYR HA 40 TYR QE 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 610, 615,
 &end
#
# 40 TYR HA 41 GLY H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 621, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 40 TYR HA 65 ALA QB 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1001,1002,1003,
 &end
#
# 40 TYR HA 66 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 TYR HA 66 ALA QB 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1011,1012,1013,
 &end
#
# 40 TYR HB2 41 GLY H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 40 TYR HB2 57 TYR QE 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 869, 874,
 &end
#
# 40 TYR HB2 65 ALA QB 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1001,1002,1003,
 &end
#
# 40 TYR HB2 66 ALA H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,1007, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 40 TYR HB2 66 ALA HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,1009, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 40 TYR HB2 66 ALA QB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1011,1012,1013,
 &end
#
# 40 TYR HB3 41 GLY H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 621, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 40 TYR HB3 57 TYR QE 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 869, 874,
 &end
#
# 40 TYR HB3 65 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 TYR HB3 65 ALA HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 999, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 40 TYR HB3 65 ALA QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1001,1002,1003,
 &end
#
# 40 TYR HB3 66 ALA H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1007, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 40 TYR HB3 66 ALA HA 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1009, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 40 TYR HB3 66 ALA QB 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1011,1012,1013,
 &end
#
# 40 TYR HB3 70 GLU QG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1057,1058,
 &end
#
# 40 TYR QD 65 ALA QB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 608, 617,
 igr2=1001,1002,1003,
 &end
#
# 40 TYR QE 66 ALA HA 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 610, 615,
 &end
#
# 40 TYR QE 69 GLY H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 610, 615,
 &end
#
# 40 TYR QE 69 GLY HA2 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 610, 615,
 &end
#
# 40 TYR QE 69 GLY HA3 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 610, 615,
 &end
#
# 40 TYR QE 70 GLU H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 610, 615,
 &end
#
# 40 TYR QE 70 GLU QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 615,
 igr2=1054,1055,
 &end
#
# 40 TYR QE 70 GLU QG 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 610, 615,
 igr2=1057,1058,
 &end
#
# 41 GLY H 42 LYS H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 41 GLY H 57 TYR QE 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 869, 874,
 &end
#
# 41 GLY H 65 ALA QB 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1001,1002,1003,
 &end
#
# 41 GLY HA2 42 LYS H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 628, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 41 GLY HA2 42 LYS HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 630, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 41 GLY HA2 42 LYS HB2 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 632, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 41 GLY HA2 57 TYR QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 867, 876,
 &end
#
# 41 GLY HA2 57 TYR QE 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 869, 874,
 &end
#
# 41 GLY HA2 62 ASN HA 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 951, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 41 GLY HA2 62 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 GLY HA2 62 ASN HB3 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 954, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 41 GLY HA2 62 ASN HD22 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 958, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 41 GLY HA3 42 LYS H 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 41 GLY HA3 57 TYR QD 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 867, 876,
 &end
#
# 41 GLY HA3 57 TYR QE 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 869, 874,
 &end
#
# 41 GLY HA3 62 ASN HB2 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 953, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 41 GLY HA3 62 ASN HB3 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 954, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 41 GLY HA3 62 ASN HD22 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 958, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 42 LYS H 42 LYS HB2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 42 LYS H 42 LYS HB3 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 42 LYS H 42 LYS HG2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 42 LYS H 42 LYS HG3 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 42 LYS H 42 LYS QD 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 638, 639,
 &end
#
# 42 LYS H 42 LYS QE 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 641, 642,
 &end
#
# 42 LYS H 43 ILE H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 650, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 42 LYS H 57 TYR QD 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 867, 876,
 &end
#
# 42 LYS H 57 TYR QE 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 869, 874,
 &end
#
# 42 LYS H 58 VAL H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 880, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 42 LYS H 58 VAL QQG 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS H 62 ASN HD22 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 958, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 42 LYS HA 42 LYS HB2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 42 LYS HA 42 LYS HG2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 42 LYS HA 42 LYS HG3 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 42 LYS HA 42 LYS QD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 638, 639,
 &end
#
# 42 LYS HA 43 ILE H 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 650, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 42 LYS HA 43 ILE HB 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 42 LYS HA 43 ILE HG13 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 661, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 42 LYS HA 58 VAL QQG 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS HB2 42 LYS QD 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2= 638, 639,
 &end
#
# 42 LYS HB2 42 LYS QE 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 641, 642,
 &end
#
# 42 LYS HB2 58 VAL QQG 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS HB3 43 ILE H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 650, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 42 LYS HB3 58 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 LYS HB3 58 VAL HB 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 884, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 42 LYS HB3 58 VAL QQG 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS HG2 42 LYS QE 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 641, 642,
 &end
#
# 42 LYS HG2 44 VAL QG1 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 675, 676, 677,
 &end
#
# 42 LYS HG2 44 VAL QG2 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 679, 680, 681,
 &end
#
# 42 LYS HG2 58 VAL QQG 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS HG3 43 ILE H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 650, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 42 LYS HG3 44 VAL HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 671, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 42 LYS HG3 44 VAL QG1 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 675, 676, 677,
 &end
#
# 42 LYS HG3 44 VAL QG2 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 679, 680, 681,
 &end
#
# 42 LYS HG3 57 TYR HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 861, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 42 LYS HG3 58 VAL H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 880, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 42 LYS HG3 58 VAL QQG 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS QD 42 LYS QE 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
# 42 LYS QD 43 ILE H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 638, 639,
 &end
#
# 42 LYS QD 44 VAL QG1 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 638, 639,
 igr2= 675, 676, 677,
 &end
#
# 42 LYS QD 58 VAL QQG 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 638, 639,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 42 LYS QE 43 ILE H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 641, 642,
 &end
#
# 42 LYS QE 43 ILE HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 641, 642,
 &end
#
# 42 LYS QE 44 VAL H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 641, 642,
 &end
#
# 42 LYS QE 44 VAL HA 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 641, 642,
 &end
#
# 42 LYS QE 44 VAL HB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 641, 642,
 &end
#
# 42 LYS QE 44 VAL QG1 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 641, 642,
 igr2= 675, 676, 677,
 &end
#
# 42 LYS QE 44 VAL QG2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 641, 642,
 igr2= 679, 680, 681,
 &end
#
# 42 LYS QE 58 VAL QQG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 641, 642,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 43 ILE H 43 ILE HB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 43 ILE H 43 ILE HG12 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 660, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 43 ILE H 43 ILE HG13 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 661, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 43 ILE H 43 ILE QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 663, 664, 665,
 &end
#
# 43 ILE H 43 ILE QG2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 656, 657, 658,
 &end
#
# 43 ILE H 44 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ILE H 45 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ILE H 55 VAL QQG 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE H 57 TYR HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 861, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 43 ILE H 57 TYR QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 867, 876,
 &end
#
# 43 ILE H 57 TYR QE 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 869, 874,
 &end
#
# 43 ILE H 58 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 43 ILE HA 43 ILE HG12 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 660, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 43 ILE HA 43 ILE HG13 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 661, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 43 ILE HA 43 ILE QD1 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 663, 664, 665,
 &end
#
# 43 ILE HA 43 ILE QG2 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 656, 657, 658,
 &end
#
# 43 ILE HA 44 VAL H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 43 ILE HA 44 VAL HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 43 ILE HA 44 VAL QG1 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 675, 676, 677,
 &end
#
# 43 ILE HA 44 VAL QG2 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 679, 680, 681,
 &end
#
# 43 ILE HA 45 GLY H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 685, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 43 ILE HA 55 VAL QQG 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE HA 57 TYR HA 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 861, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 43 ILE HA 57 TYR QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 867, 876,
 &end
#
# 43 ILE HA 57 TYR QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 869, 874,
 &end
#
# 43 ILE HB 43 ILE QD1 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 663, 664, 665,
 &end
#
# 43 ILE HB 44 VAL H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 669, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 43 ILE HB 44 VAL HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 671, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 43 ILE HB 46 CYS QB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 696, 697,
 &end
#
# 43 ILE HB 55 VAL QQG 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE HB 57 TYR HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 861, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 43 ILE HB 57 TYR QE 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 869, 874,
 &end
#
# 43 ILE HG12 44 VAL H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 669, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 43 ILE HG12 55 VAL QQG 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE HG12 57 TYR QD 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 867, 876,
 &end
#
# 43 ILE HG12 57 TYR QE 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 869, 874,
 &end
#
# 43 ILE HG13 44 VAL H 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 669, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 43 ILE HG13 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE HG13 57 TYR HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 861, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 43 ILE HG13 57 TYR QD 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 867, 876,
 &end
#
# 43 ILE HG13 57 TYR QE 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 869, 874,
 &end
#
# 43 ILE QD1 45 GLY H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 663, 664, 665,
 &end
#
# 43 ILE QD1 46 CYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 664, 665,
 &end
#
# 43 ILE QD1 46 CYS QB 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 663, 664, 665,
 igr2= 696, 697,
 &end
#
# 43 ILE QD1 55 VAL HB 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 663, 664, 665,
 &end
#
# 43 ILE QD1 55 VAL QQG 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 663, 664, 665,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE QD1 57 TYR HA 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 663, 664, 665,
 &end
#
# 43 ILE QD1 57 TYR QD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 663, 664, 665,
 igr2= 867, 876,
 &end
#
# 43 ILE QD1 57 TYR QE 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 663, 664, 665,
 igr2= 869, 874,
 &end
#
# 43 ILE QG2 43 ILE HG12 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 43 ILE HG13 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 43 ILE QD1 2.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 656, 657, 658,
 igr2= 663, 664, 665,
 &end
#
# 43 ILE QG2 44 VAL H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 44 VAL HA 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 44 VAL HB 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 44 VAL QG1 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 656, 657, 658,
 igr2= 675, 676, 677,
 &end
#
# 43 ILE QG2 45 GLY H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 45 GLY HA2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 45 GLY HA3 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 46 CYS H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 46 CYS HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 46 CYS QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 656, 657, 658,
 igr2= 696, 697,
 &end
#
# 43 ILE QG2 55 VAL HA 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 55 VAL HB 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 55 VAL QQG 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 656, 657, 658,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 43 ILE QG2 56 GLN H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 57 TYR HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 656, 657, 658,
 &end
#
# 43 ILE QG2 57 TYR QD 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 656, 657, 658,
 igr2= 867, 876,
 &end
#
# 43 ILE QG2 57 TYR QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 656, 657, 658,
 igr2= 869, 874,
 &end
#
# 44 VAL H 44 VAL HB 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 44 VAL H 44 VAL QG1 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 675, 676, 677,
 &end
#
# 44 VAL H 44 VAL QG2 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 679, 680, 681,
 &end
#
# 44 VAL H 45 GLY H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 44 VAL H 45 GLY HA3 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 688, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 44 VAL H 55 VAL QQG 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 44 VAL H 57 TYR HA 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 861, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 44 VAL H 57 TYR QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 867, 876,
 &end
#
# 44 VAL H 58 VAL HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 882, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 44 VAL H 58 VAL QQG 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 44 VAL HA 44 VAL QG1 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 675, 676, 677,
 &end
#
# 44 VAL HA 44 VAL QG2 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 679, 680, 681,
 &end
#
# 44 VAL HA 58 VAL QQG 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 44 VAL HB 45 GLY HA3 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 688, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 44 VAL HB 58 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 VAL HB 58 VAL QQG 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 44 VAL QG1 45 GLY H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 675, 676, 677,
 &end
#
# 44 VAL QG1 57 TYR HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 675, 676, 677,
 &end
#
# 44 VAL QG1 57 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 675, 676, 677,
 &end
#
# 44 VAL QG1 57 TYR QD 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 675, 676, 677,
 igr2= 867, 876,
 &end
#
# 44 VAL QG1 58 VAL H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 675, 676, 677,
 &end
#
# 44 VAL QG1 58 VAL HA 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 675, 676, 677,
 &end
#
# 44 VAL QG1 58 VAL HB 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 675, 676, 677,
 &end
#
# 44 VAL QG1 58 VAL QQG 2.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 675, 676, 677,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 44 VAL QG2 45 GLY H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 45 GLY HA2 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 45 GLY HA3 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 55 VAL QQG 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 679, 680, 681,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 44 VAL QG2 56 GLN H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 56 GLN HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 56 GLN HB2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 56 GLN HE21 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 56 GLN QG 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 679, 680, 681,
 igr2= 849, 850,
 &end
#
# 44 VAL QG2 57 TYR H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 57 TYR HA 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 57 TYR HB2 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 57 TYR HB3 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 57 TYR QD 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 679, 680, 681,
 igr2= 867, 876,
 &end
#
# 44 VAL QG2 58 VAL H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 58 VAL HA 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 58 VAL HB 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 679, 680, 681,
 &end
#
# 44 VAL QG2 58 VAL QQG 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 679, 680, 681,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 44 VAL QG2 59 ASN H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 679, 680, 681,
 &end
#
# 45 GLY H 46 CYS H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 692, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 45 GLY H 46 CYS QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 &end
#
# 45 GLY H 55 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 GLY H 55 VAL QQG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 45 GLY H 56 GLN H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 842, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 45 GLY H 56 GLN HB2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 846, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 45 GLY H 56 GLN HB3 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 847, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 45 GLY H 56 GLN QG 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 849, 850,
 &end
#
# 45 GLY H 57 TYR HA 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 861, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 45 GLY H 57 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 867, 876,
 &end
#
# 45 GLY HA2 46 CYS H 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 45 GLY HA2 56 GLN HB3 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 847, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 45 GLY HA3 56 GLN H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 842, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 45 GLY HA3 56 GLN HB2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 846, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 45 GLY HA3 56 GLN HB3 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 46 CYS H 47 SER H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 703, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 46 CYS H 55 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 CYS H 56 GLN H 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 842, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 46 CYS H 56 GLN HB3 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 847, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 46 CYS HA 47 SER H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 703, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 46 CYS HA 54 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 CYS HA 55 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 CYS HA 55 VAL HA 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 828, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 46 CYS HA 55 VAL QQG 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 46 CYS HA 56 GLN H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 842, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 46 CYS HA 56 GLN HB3 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 847, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 46 CYS QB 47 SER H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 696, 697,
 &end
#
# 46 CYS QB 47 SER HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 696, 697,
 &end
#
# 46 CYS QB 48 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 696, 697,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 46 CYS QB 55 VAL HA 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 696, 697,
 &end
#
# 46 CYS QB 55 VAL QQG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 696, 697,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 46 CYS QB 56 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 696, 697,
 &end
#
# 47 SER H 53 ALA QB 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 800, 801, 802,
 &end
#
# 47 SER H 54 PHE H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 806, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 47 SER H 54 PHE HA 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 808, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 47 SER H 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 47 SER H 56 GLN H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 842, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 47 SER HA 48 VAL H 2.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 714, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 47 SER HA 48 VAL HA 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 716, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 47 SER HA 48 VAL HB 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 718, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 47 SER HA 48 VAL QQG 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 47 SER QB 48 VAL H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 707, 708,
 &end
#
# 47 SER QB 49 HIS HD2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 707, 708,
 &end
#
# 48 VAL H 48 VAL HB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 48 VAL H 48 VAL QQG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL H 49 HIS H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 730, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 48 VAL H 49 HIS HD2 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 743, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 48 VAL H 53 ALA QB 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 800, 801, 802,
 &end
#
# 48 VAL H 54 PHE H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 806, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 48 VAL HA 48 VAL QQG 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL HA 49 HIS H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 730, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 48 VAL HA 49 HIS HA 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 48 VAL HA 49 HIS HD2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 743, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 48 VAL HA 49 HIS QB 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 734, 735,
 &end
#
# 48 VAL HA 53 ALA HA 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 798, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 48 VAL HA 53 ALA QB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 800, 801, 802,
 &end
#
# 48 VAL HA 54 PHE H 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 806, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 48 VAL HB 49 HIS H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 730, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 48 VAL HB 53 ALA QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 800, 801, 802,
 &end
#
# 48 VAL HB 54 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 VAL QQG 49 HIS H 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 49 HIS HA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 49 HIS HD2 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 52 PHE H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 53 ALA H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 53 ALA HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 53 ALA QB 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 720, 721, 722, 724, 725, 726,
 igr2= 800, 801, 802,
 &end
#
# 48 VAL QQG 54 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 720, 721, 722, 724, 725, 726,
 &end
#
# 48 VAL QQG 55 VAL QQG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 720, 721, 722, 724, 725, 726,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 49 HIS H 49 HIS HD2 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 743, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 49 HIS H 49 HIS QB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 734, 735,
 &end
#
# 49 HIS H 52 PHE H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 776, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 49 HIS H 53 ALA HA 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 798, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 49 HIS H 53 ALA QB 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 800, 801, 802,
 &end
#
# 49 HIS H 54 PHE H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 806, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 49 HIS HA 49 HIS HD2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 743, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 49 HIS HA 50 LYS H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 49 HIS HA 50 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 754, 755,
 &end
#
# 49 HIS HA 53 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 49 HIS HD2 52 PHE HZ 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 49 HIS HD2 53 ALA HA 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 798, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 49 HIS HD2 53 ALA QB 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 800, 801, 802,
 &end
#
# 49 HIS HD2 54 PHE H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 806, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 49 HIS HD2 54 PHE QD 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 814, 822,
 &end
#
# 49 HIS QB 50 LYS H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 734, 735,
 &end
#
# 49 HIS QB 52 PHE H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 734, 735,
 &end
#
# 49 HIS QB 53 ALA HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 734, 735,
 &end
#
# 50 LYS H 50 LYS QB 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 751, 752,
 &end
#
# 50 LYS H 50 LYS QG 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 754, 755,
 &end
#
# 50 LYS H 52 PHE H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 776, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 50 LYS H 52 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50 LYS H 52 PHE QE 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 786, 790,
 &end
#
# 50 LYS HA 50 LYS QD 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 757, 758,
 &end
#
# 50 LYS HA 50 LYS QE 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 760, 761,
 &end
#
# 50 LYS HA 50 LYS QG 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 754, 755,
 &end
#
# 50 LYS HA 52 PHE H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 776, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 50 LYS QB 50 LYS QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 751, 752,
 igr2= 757, 758,
 &end
#
# 50 LYS QB 50 LYS QE 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 751, 752,
 igr2= 760, 761,
 &end
#
# 50 LYS QB 52 PHE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 751, 752,
 &end
#
# 50 LYS QG 50 LYS QE 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 754, 755,
 igr2= 760, 761,
 &end
#
# 51 GLY H 52 PHE H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 52 PHE H 52 PHE QE 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 786, 790,
 &end
#
# 52 PHE H 53 ALA H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 796, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 52 PHE H 53 ALA QB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 800, 801, 802,
 &end
#
# 52 PHE HA 52 PHE QD 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 784, 792,
 &end
#
# 52 PHE HA 53 ALA QB 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 800, 801, 802,
 &end
#
# 52 PHE QB 53 ALA H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 780, 781,
 &end
#
# 52 PHE QD 53 ALA H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 784, 792,
 &end
#
# 52 PHE QD 53 ALA QB 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 784, 792,
 igr2= 800, 801, 802,
 &end
#
# 52 PHE QE 53 ALA H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 786, 790,
 &end
#
# 53 ALA H 53 ALA QB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 800, 801, 802,
 &end
#
# 53 ALA HA 54 PHE H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 53 ALA QB 54 PHE H 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 800, 801, 802,
 &end
#
# 53 ALA QB 54 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 800, 801, 802,
 &end
#
# 53 ALA QB 54 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 800, 801, 802,
 igr2= 814, 822,
 &end
#
# 54 PHE H 54 PHE QD 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 814, 822,
 &end
#
# 54 PHE H 55 VAL QQG 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 PHE HA 55 VAL H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 826, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 54 PHE HA 55 VAL HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 828, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 54 PHE HA 55 VAL HB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 830, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 54 PHE HA 55 VAL QQG 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 54 PHE HZ 85 ALA QB 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1281,1282,1283,
 &end
#
# 54 PHE QB 55 VAL H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 810, 811,
 &end
#
# 54 PHE QD 55 VAL H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 814, 822,
 &end
#
# 54 PHE QD 55 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 814, 822,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 55 VAL H 55 VAL HB 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 55 VAL H 55 VAL QQG 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 55 VAL HA 55 VAL QQG 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 832, 833, 834, 836, 837, 838,
 &end
#
# 55 VAL HA 56 GLN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 VAL HA 56 GLN HB3 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 55 VAL HB 56 GLN H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 842, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 55 VAL HB 57 TYR QE 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 869, 874,
 &end
#
# 55 VAL QQG 56 GLN H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 832, 833, 834, 836, 837, 838,
 &end
#
# 55 VAL QQG 57 TYR HA 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 832, 833, 834, 836, 837, 838,
 &end
#
# 55 VAL QQG 57 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2= 867, 876,
 &end
#
# 55 VAL QQG 57 TYR QE 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2= 869, 874,
 &end
#
# 55 VAL QQG 63 ALA QB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2= 967, 968, 969,
 &end
#
# 55 VAL QQG 66 ALA QB 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 832, 833, 834, 836, 837, 838,
 igr2=1011,1012,1013,
 &end
#
# 56 GLN H 56 GLN HB2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 846, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 56 GLN H 56 GLN HB3 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 56 GLN H 56 GLN QG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 849, 850,
 &end
#
# 56 GLN H 57 TYR H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 56 GLN HA 57 TYR HB2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 56 GLN HA 57 TYR QD 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 867, 876,
 &end
#
# 56 GLN HB2 56 GLN HE21 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 56 GLN HB2 57 TYR H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 56 GLN HB3 57 TYR H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 859, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 56 GLN HE21 57 TYR H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 56 GLN HE21 57 TYR HB2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 863, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 56 GLN HE22 57 TYR H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 859, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 56 GLN QG 56 GLN HE21 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 849, 850,
 &end
#
# 56 GLN QG 57 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 849, 850,
 &end
#
# 57 TYR H 57 TYR HB3 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 57 TYR H 57 TYR QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 867, 876,
 &end
#
# 57 TYR H 57 TYR QE 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 869, 874,
 &end
#
# 57 TYR H 58 VAL H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 880, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 57 TYR H 59 ASN H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 896, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 57 TYR H 62 ASN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 TYR H 63 ALA QB 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 967, 968, 969,
 &end
#
# 57 TYR HA 57 TYR QD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 867, 876,
 &end
#
# 57 TYR HA 57 TYR QE 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 869, 874,
 &end
#
# 57 TYR HA 58 VAL H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 57 TYR HA 58 VAL HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 882, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 57 TYR HA 58 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 TYR HA 59 ASN H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 896, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 57 TYR HA 62 ASN HB2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 953, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 57 TYR HA 62 ASN HB3 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 954, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 57 TYR HB2 58 VAL H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 57 TYR HB2 58 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 TYR HB2 59 ASN H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 896, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 57 TYR HB2 62 ASN HB2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 57 TYR HB2 62 ASN HB3 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 954, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 57 TYR HB2 63 ALA H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 963, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 57 TYR HB2 63 ALA HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 965, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 57 TYR HB2 63 ALA QB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 967, 968, 969,
 &end
#
# 57 TYR HB3 58 VAL H 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 880, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 57 TYR HB3 58 VAL HB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 884, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 57 TYR HB3 58 VAL QQG 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 TYR HB3 59 ASN H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 896, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 57 TYR HB3 59 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 TYR HB3 62 ASN H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 949, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 57 TYR HB3 62 ASN HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 951, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 57 TYR HB3 62 ASN HB2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 57 TYR HB3 62 ASN HB3 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 954, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 57 TYR HB3 62 ASN HD21 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 959, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 57 TYR HB3 62 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 TYR HB3 63 ALA QB 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 967, 968, 969,
 &end
#
# 57 TYR QD 58 VAL H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 58 VAL HA 5.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 58 VAL QQG 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 867, 876,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 57 TYR QD 59 ASN H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 62 ASN H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 62 ASN HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 62 ASN HB2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 62 ASN HB3 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 63 ALA HA 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 63 ALA QB 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 867, 876,
 igr2= 967, 968, 969,
 &end
#
# 57 TYR QD 64 ARG H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 65 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 66 ALA H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 867, 876,
 &end
#
# 57 TYR QD 66 ALA QB 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 867, 876,
 igr2=1011,1012,1013,
 &end
#
# 57 TYR QE 62 ASN HB2 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 869, 874,
 &end
#
# 57 TYR QE 62 ASN HB3 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 869, 874,
 &end
#
# 57 TYR QE 63 ALA HA 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 869, 874,
 &end
#
# 57 TYR QE 63 ALA QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 869, 874,
 igr2= 967, 968, 969,
 &end
#
# 57 TYR QE 65 ALA QB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 869, 874,
 igr2=1001,1002,1003,
 &end
#
# 57 TYR QE 66 ALA H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 869, 874,
 &end
#
# 57 TYR QE 66 ALA QB 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 869, 874,
 igr2=1011,1012,1013,
 &end
#
# 57 TYR QE 67 VAL H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 869, 874,
 &end
#
# 57 TYR QE 67 VAL QQG 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 869, 874,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 58 VAL H 58 VAL HB 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 58 VAL H 58 VAL QQG 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL H 59 ASN H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 896, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 58 VAL H 59 ASN HD21 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 906, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 58 VAL H 62 ASN H 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 949, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 58 VAL H 62 ASN HB2 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 953, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 58 VAL H 62 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 VAL H 63 ALA H 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 963, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 58 VAL HA 58 VAL QQG 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL HA 59 ASN HA 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 898, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 58 VAL HB 59 ASN H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 896, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 58 VAL HB 59 ASN HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 898, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 58 VAL HB 59 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 VAL HB 59 ASN HB3 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 901, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 58 VAL HB 59 ASN HD21 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 58 VAL HB 59 ASN HD22 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 905, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 58 VAL QQG 59 ASN H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL QQG 59 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL QQG 59 ASN HB3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL QQG 59 ASN HD21 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL QQG 59 ASN HD22 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 58 VAL QQG 62 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 886, 887, 888, 890, 891, 892,
 &end
#
# 59 ASN H 59 ASN HB2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 59 ASN H 59 ASN HB3 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 59 ASN H 59 ASN HD21 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 59 ASN H 60 GLU H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 910, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 59 ASN H 61 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ASN H 62 ASN H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 949, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 59 ASN H 62 ASN HB2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 953, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 59 ASN H 62 ASN HB3 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 954, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 59 ASN H 62 ASN HD21 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 959, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 59 ASN H 63 ALA H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 963, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 59 ASN HA 59 ASN HD21 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 59 ASN HA 59 ASN HD22 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 59 ASN HA 60 GLU H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 910, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 59 ASN HA 60 GLU HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 59 ASN HA 60 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ASN HA 61 ARG H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 925, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 59 ASN HA 62 ASN H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 949, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 59 ASN HB2 59 ASN HD21 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 59 ASN HB2 60 GLU H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 910, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 59 ASN HB2 60 GLU HB3 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 915, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 59 ASN HB2 61 ARG H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 925, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 59 ASN HB2 61 ARG HB3 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 930, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 59 ASN HB2 61 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ASN HB2 61 ARG HG3 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 933, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 59 ASN HB2 62 ASN H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 949, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 59 ASN HB3 59 ASN HD21 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 59 ASN HB3 59 ASN HD22 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 59 ASN HB3 60 GLU H 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 910, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 59 ASN HB3 61 ARG H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 925, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 59 ASN HB3 62 ASN H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 949, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 59 ASN HD21 60 GLU H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 59 ASN HD21 61 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ASN HD21 61 ARG HB3 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 930, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 59 ASN HD21 61 ARG HG3 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 933, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 59 ASN QD2 62 ASN HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 905, 906,
 &end
#
# 59 ASN HD21 62 ASN HD21 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 959, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 59 ASN HD21 62 ASN HD22 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 958, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 59 ASN HD22 60 GLU H 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 910, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 59 ASN HD22 61 ARG H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 925, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 59 ASN HD22 61 ARG HG3 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 933, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 59 ASN HD22 61 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
# 59 ASN HD22 62 ASN HD21 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 959, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 59 ASN HD22 62 ASN HD22 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 958, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 60 GLU H 60 GLU HB2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 60 GLU H 60 GLU HB3 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 60 GLU H 60 GLU HG3 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 918, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 60 GLU H 61 ARG H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 925, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 60 GLU H 62 ASN H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 949, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 60 GLU H 63 ALA QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 967, 968, 969,
 &end
#
# 60 GLU HA 60 GLU HG2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 917, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 60 GLU HA 60 GLU HG3 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 918, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 60 GLU HA 61 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 GLU HA 63 ALA H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 963, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 60 GLU HA 63 ALA QB 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 967, 968, 969,
 &end
#
# 60 GLU HA 64 ARG H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 973, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 60 GLU HA 84 LEU QQD 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 912,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 60 GLU HB2 61 ARG H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 60 GLU HB2 63 ALA QB 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 967, 968, 969,
 &end
#
# 60 GLU HB2 84 LEU QQD 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 60 GLU HB3 61 ARG H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 925, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 60 GLU HB3 62 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 GLU HB3 63 ALA QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 967, 968, 969,
 &end
#
# 60 GLU HG2 61 ARG H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 925, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 60 GLU HG2 61 ARG HA 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 927, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 60 GLU HG2 62 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 GLU HG2 63 ALA QB 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 967, 968, 969,
 &end
#
# 60 GLU HG2 64 ARG H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 973, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 60 GLU HG2 64 ARG HE 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 986, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 60 GLU HG2 64 ARG QD 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 983, 984,
 &end
#
# 60 GLU HG2 84 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 60 GLU HG3 61 ARG H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 60 GLU HG3 61 ARG HB2 5.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 929, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 60 GLU HG3 63 ALA QB 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 967, 968, 969,
 &end
#
# 60 GLU HG3 64 ARG H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 973, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 60 GLU HG3 64 ARG HE 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 986, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 60 GLU HG3 64 ARG QD 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 983, 984,
 &end
#
# 60 GLU HG3 64 ARG QG 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 980, 981,
 &end
#
# 60 GLU HG3 84 LEU QQD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 61 ARG H 61 ARG HB2 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 929, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 61 ARG H 61 ARG HB3 2.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,  &end
#
# 61 ARG H 61 ARG HG2 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 932, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 61 ARG H 61 ARG HG3 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 61 ARG H 61 ARG QD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 935, 936,
 &end
#
# 61 ARG H 62 ASN H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 949, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 61 ARG H 63 ALA H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 963, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 61 ARG H 63 ALA QB 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 967, 968, 969,
 &end
#
# 61 ARG HA 61 ARG HG2 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 61 ARG HA 61 ARG HG3 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 933, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 61 ARG HA 61 ARG QD 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 935, 936,
 &end
#
# 61 ARG HA 63 ALA H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 963, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 61 ARG HA 63 ALA QB 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 967, 968, 969,
 &end
#
# 61 ARG HA 64 ARG H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 973, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 61 ARG HA 64 ARG QD 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 983, 984,
 &end
#
# 61 ARG HA 65 ALA H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 997, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 61 ARG HB2 61 ARG QD 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 935, 936,
 &end
#
# 61 ARG HB2 62 ASN H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 949, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 61 ARG HB3 61 ARG HG3 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 933, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 61 ARG HB3 61 ARG QD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 935, 936,
 &end
#
# 61 ARG HB3 62 ASN H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 61 ARG HB3 62 ASN HA 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 951, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 61 ARG HG2 61 ARG QD 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2= 935, 936,
 &end
#
# 61 ARG HG2 62 ASN H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 949, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 61 ARG HG2 62 ASN HA 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 951, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 61 ARG HG2 62 ASN HD21 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 959, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 61 ARG HG3 61 ARG QD 2.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2= 935, 936,
 &end
#
# 61 ARG HG3 62 ASN H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 949, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 61 ARG HG3 62 ASN HA 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 951, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 61 ARG HG3 62 ASN HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 ARG HG3 62 ASN HD21 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 959, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 61 ARG HG3 62 ASN HD22 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 958, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 61 ARG QD 62 ASN H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 935, 936,
 &end
#
# 61 ARG QD 62 ASN HA 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 935, 936,
 &end
#
# 61 ARG QD 65 ALA H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 935, 936,
 &end
#
# 62 ASN H 62 ASN HB2 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 62 ASN H 62 ASN HB3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 62 ASN H 62 ASN HD21 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 959, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 62 ASN H 62 ASN HD22 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 958, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 62 ASN H 63 ALA H 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 62 ASN H 63 ALA QB 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 967, 968, 969,
 &end
#
# 62 ASN H 64 ARG H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 973, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 62 ASN HA 62 ASN HD21 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 62 ASN HA 62 ASN HD22 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 62 ASN HA 63 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 ASN HA 65 ALA H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 997, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 62 ASN HA 65 ALA QB 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1001,1002,1003,
 &end
#
# 62 ASN HB2 62 ASN HD21 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 959, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 62 ASN HB2 62 ASN HD22 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 62 ASN HB2 63 ALA H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 62 ASN HB2 63 ALA QB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 967, 968, 969,
 &end
#
# 62 ASN HB3 62 ASN HD21 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 62 ASN HB3 63 ALA H 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 963, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 62 ASN HB3 63 ALA QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 967, 968, 969,
 &end
#
# 62 ASN HB3 65 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1001,1002,1003,
 &end
#
# 62 ASN HD21 63 ALA H 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 63 ALA H 63 ALA QB 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 967, 968, 969,
 &end
#
# 63 ALA H 64 ARG H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 973, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 63 ALA H 65 ALA H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 997, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 63 ALA H 66 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 63 ALA H 67 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 63 ALA H 84 LEU QQD 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 63 ALA HA 65 ALA H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 997, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 63 ALA HA 66 ALA H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,1007, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 63 ALA HA 66 ALA QB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1011,1012,1013,
 &end
#
# 63 ALA HA 67 VAL QQG 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 63 ALA HA 84 LEU QQD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 63 ALA QB 64 ARG H 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 967, 968, 969,
 &end
#
# 63 ALA QB 64 ARG QD 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 967, 968, 969,
 igr2= 983, 984,
 &end
#
# 63 ALA QB 65 ALA H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 967, 968, 969,
 &end
#
# 63 ALA QB 67 VAL HA 5.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 967, 968, 969,
 &end
#
# 63 ALA QB 67 VAL HB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 967, 968, 969,
 &end
#
# 63 ALA QB 67 VAL QQG 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 967, 968, 969,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 63 ALA QB 84 LEU HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 967, 968, 969,
 &end
#
# 63 ALA QB 84 LEU HG 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 967, 968, 969,
 &end
#
# 63 ALA QB 84 LEU QQD 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 967, 968, 969,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 64 ARG H 64 ARG QB 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 977, 978,
 &end
#
# 64 ARG H 64 ARG QD 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 983, 984,
 &end
#
# 64 ARG H 64 ARG QG 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 980, 981,
 &end
#
# 64 ARG H 65 ALA H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 997, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 64 ARG H 65 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ARG H 65 ALA QB 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1001,1002,1003,
 &end
#
# 64 ARG H 66 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ARG H 67 VAL H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1017, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 64 ARG H 67 VAL HB 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 64 ARG H 67 VAL QQG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 64 ARG H 68 ALA H 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1033, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 64 ARG H 84 LEU QQD 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 64 ARG HA 64 ARG QD 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 983, 984,
 &end
#
# 64 ARG HA 64 ARG QG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 980, 981,
 &end
#
# 64 ARG HA 67 VAL H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1017, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 64 ARG HA 67 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ARG HA 67 VAL HB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1021, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 64 ARG HA 67 VAL QQG 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 64 ARG HA 68 ALA H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1033, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 64 ARG HA 84 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 ARG HA 84 LEU QQD 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 64 ARG HE 84 LEU QQD 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 64 ARG QB 64 ARG HE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 977, 978,
 &end
#
# 64 ARG QB 64 ARG QD 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 977, 978,
 igr2= 983, 984,
 &end
#
# 64 ARG QB 65 ALA HA 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 977, 978,
 &end
#
# 64 ARG QD 65 ALA H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 983, 984,
 &end
#
# 64 ARG QD 67 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 983, 984,
 &end
#
# 64 ARG QD 84 LEU HG 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 983, 984,
 &end
#
# 64 ARG QD 84 LEU QQD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 983, 984,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 64 ARG QG 64 ARG HE 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 980, 981,
 &end
#
# 64 ARG QG 65 ALA H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 980, 981,
 &end
#
# 64 ARG QG 67 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 980, 981,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 64 ARG QG 84 LEU QQD 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 980, 981,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 65 ALA H 65 ALA HA 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 997, 999, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 65 ALA H 65 ALA QB 2.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2=1001,1002,1003,
 &end
#
# 65 ALA H 66 ALA H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 65 ALA H 66 ALA QB 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1011,1012,1013,
 &end
#
# 65 ALA H 67 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 65 ALA H 68 ALA QB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1037,1038,1039,
 &end
#
# 65 ALA H 69 GLY H 5.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1043, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 65 ALA HA 66 ALA QB 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1011,1012,1013,
 &end
#
# 65 ALA HA 69 GLY H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1043, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 65 ALA QB 66 ALA H 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1=1001,1002,1003,
 &end
#
# 65 ALA QB 66 ALA HA 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1001,1002,1003,
 &end
#
# 65 ALA QB 66 ALA QB 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1001,1002,1003,
 igr2=1011,1012,1013,
 &end
#
# 65 ALA QB 67 VAL H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1001,1002,1003,
 &end
#
# 65 ALA QB 69 GLY HA3 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=1001,1002,1003,
 &end
#
# 66 ALA H 66 ALA QB 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr2=1011,1012,1013,
 &end
#
# 66 ALA H 69 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 ALA HA 67 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 ALA HA 69 GLY H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1043, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 66 ALA HA 69 GLY HA2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1045, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 66 ALA HA 69 GLY HA3 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1046, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 66 ALA HA 70 GLU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1050, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 66 ALA HA 82 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
# 66 ALA QB 67 VAL H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1011,1012,1013,
 &end
#
# 66 ALA QB 67 VAL HA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1011,1012,1013,
 &end
#
# 66 ALA QB 67 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1011,1012,1013,
 &end
#
# 66 ALA QB 67 VAL QQG 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1011,1012,1013,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 66 ALA QB 69 GLY H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1011,1012,1013,
 &end
#
# 66 ALA QB 71 ASP H 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1011,1012,1013,
 &end
#
# 66 ALA QB 82 ILE QG2 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1011,1012,1013,
 igr2=1231,1232,1233,
 &end
#
# 67 VAL H 67 VAL HB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 67 VAL H 67 VAL QQG 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL H 69 GLY H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1043, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 67 VAL H 69 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 VAL H 82 ILE QG2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1231,1232,1233,
 &end
#
# 67 VAL H 84 LEU QQD 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 VAL HA 67 VAL QQG 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL HA 68 ALA H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 67 VAL HA 68 ALA HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1035, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 67 VAL HA 68 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1037,1038,1039,
 &end
#
# 67 VAL HA 69 GLY H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 67 VAL HA 70 GLU H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 67 VAL HA 71 ASP H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1065, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 67 VAL HA 71 ASP HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1067, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 67 VAL HA 71 ASP HB2 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1069, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 67 VAL HA 71 ASP HB3 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1070, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 67 VAL HA 82 ILE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 VAL HA 82 ILE HB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1229, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 67 VAL HA 82 ILE QD1 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1238,1239,1240,
 &end
#
# 67 VAL HA 82 ILE QG2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1231,1232,1233,
 &end
#
# 67 VAL HA 84 LEU QQD 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 VAL HB 68 ALA H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 67 VAL HB 68 ALA HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 67 VAL HB 82 ILE QG2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1231,1232,1233,
 &end
#
# 67 VAL HB 83 ASN HA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1246, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 67 VAL HB 84 LEU HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1260, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 67 VAL HB 84 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 VAL HB 84 LEU QQD 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 VAL QQG 68 ALA H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 68 ALA HA 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 69 GLY H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 71 ASP HB2 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 71 ASP HB3 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 82 ILE HA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 82 ILE QG2 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1231,1232,1233,
 &end
#
# 67 VAL QQG 83 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 83 ASN HA 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 83 ASN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1248,1249,
 &end
#
# 67 VAL QQG 83 ASN QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1253,1254,
 &end
#
# 67 VAL QQG 84 LEU H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 84 LEU HA 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 84 LEU HB2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 84 LEU HB3 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 84 LEU HG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 67 VAL QQG 84 LEU QQD 2.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1023,1024,1025,1027,1028,1029,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 67 VAL QQG 85 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1023,1024,1025,1027,1028,1029,
 &end
#
# 68 ALA H 68 ALA QB 2.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr2=1037,1038,1039,
 &end
#
# 68 ALA H 69 GLY H 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 68 ALA H 69 GLY HA2 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1045, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 68 ALA H 69 GLY HA3 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1046, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 68 ALA H 71 ASP HB2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1069, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 68 ALA H 71 ASP HB3 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1070, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 68 ALA HA 69 GLY H 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1043, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 68 ALA HA 69 GLY HA2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1045, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 68 ALA HA 71 ASP HB2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1069, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 68 ALA HA 71 ASP HB3 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1070, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 68 ALA QB 69 GLY H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=1037,1038,1039,
 &end
#
# 68 ALA QB 69 GLY HA2 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1037,1038,1039,
 &end
#
# 68 ALA QB 69 GLY HA3 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1037,1038,1039,
 &end
#
# 69 GLY H 69 GLY HA3 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1046, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 69 GLY H 70 GLU H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 69 GLY H 70 GLU HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1052, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 69 GLY H 71 ASP HB3 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1070, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 69 GLY HA2 70 GLU HA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1052, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 69 GLY HA3 70 GLU H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1050, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 69 GLY HA3 70 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1052, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 69 GLY HA3 70 GLU QG 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1057,1058,
 &end
#
# 70 GLU H 70 GLU QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1054,1055,
 &end
#
# 70 GLU H 70 GLU QG 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1057,1058,
 &end
#
# 70 GLU H 71 ASP H 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1065, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 70 GLU H 71 ASP HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1067, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 70 GLU H 71 ASP HB2 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1069, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 70 GLU H 71 ASP HB3 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1070, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 70 GLU H 82 ILE QD1 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1238,1239,1240,
 &end
#
# 70 GLU HA 70 GLU QG 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1057,1058,
 &end
#
# 70 GLU HA 73 ARG H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1084, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 70 GLU HA 73 ARG HA 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1086, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 70 GLU HA 73 ARG HB2 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1088, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 70 GLU HA 73 ARG HB3 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1089, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 70 GLU HA 73 ARG HD2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1094, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 70 GLU HA 73 ARG HD3 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1095, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 70 GLU HA 73 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 GLU HA 73 ARG HG2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1091, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 70 GLU HA 73 ARG HG3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 GLU HA 75 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1138,1139,1140,
 &end
#
# 70 GLU HA 80 LEU QQD 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 70 GLU HA 82 ILE QD1 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1238,1239,1240,
 &end
#
# 70 GLU QB 71 ASP H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1054,1055,
 &end
#
# 70 GLU QB 75 ILE QD1 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1054,1055,
 igr2=1138,1139,1140,
 &end
#
# 70 GLU QB 82 ILE QD1 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1054,1055,
 igr2=1238,1239,1240,
 &end
#
# 70 GLU QG 71 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1057,1058,
 &end
#
# 70 GLU QG 82 ILE QD1 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1057,1058,
 igr2=1238,1239,1240,
 &end
#
# 71 ASP H 71 ASP HB2 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 71 ASP H 71 ASP HB3 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 71 ASP H 72 GLY H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 71 ASP H 73 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ASP H 82 ILE H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1225, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 71 ASP H 82 ILE HB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1229, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 71 ASP H 82 ILE QD1 3.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1238,1239,1240,
 &end
#
# 71 ASP H 82 ILE QG2 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1065,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1231,1232,1233,
 &end
#
# 71 ASP HA 72 GLY H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 71 ASP HA 72 GLY HA3 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1080, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 71 ASP HA 73 ARG H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 71 ASP HA 80 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 ASP HA 80 LEU QQD 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 71 ASP HA 81 ASP HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1215, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 71 ASP HA 82 ILE H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1225, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 71 ASP HA 82 ILE HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1227, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 71 ASP HA 82 ILE HB 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1229, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 71 ASP HA 82 ILE QD1 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1238,1239,1240,
 &end
#
# 71 ASP HA 82 ILE QG1 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1235,1236,
 &end
#
# 71 ASP HA 82 ILE QG2 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1231,1232,1233,
 &end
#
# 71 ASP HB2 72 GLY H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1077, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 71 ASP HB2 82 ILE H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1225, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 71 ASP HB2 82 ILE HB 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1229, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 71 ASP HB2 82 ILE QD1 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1238,1239,1240,
 &end
#
# 71 ASP HB2 82 ILE QG2 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1231,1232,1233,
 &end
#
# 71 ASP HB3 72 GLY H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 71 ASP HB3 82 ILE H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1225, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 71 ASP HB3 82 ILE HB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1229, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 71 ASP HB3 82 ILE QD1 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1238,1239,1240,
 &end
#
# 71 ASP HB3 82 ILE QG2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1231,1232,1233,
 &end
#
# 72 GLY H 73 ARG H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 72 GLY H 73 ARG HB3 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1089, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 72 GLY H 79 VAL QQG 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 72 GLY H 80 LEU HB2 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1198, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 72 GLY H 81 ASP HA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1215, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 72 GLY H 82 ILE H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1225, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 72 GLY H 82 ILE HB 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1229, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 72 GLY H 82 ILE QD1 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1238,1239,1240,
 &end
#
# 72 GLY H 82 ILE QG1 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1235,1236,
 &end
#
# 72 GLY HA2 73 ARG H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 72 GLY HA2 79 VAL QQG 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 72 GLY HA2 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 72 GLY HA3 73 ARG HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1086, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 72 GLY HA3 79 VAL QQG 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 ARG H 73 ARG HB2 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 73 ARG H 73 ARG HB3 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 73 ARG H 73 ARG HD2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1094, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 73 ARG H 73 ARG HD3 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1095, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 73 ARG H 73 ARG HE 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1097, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 73 ARG H 73 ARG HG2 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1091, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 73 ARG H 73 ARG HG3 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1092, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 73 ARG H 74 MET H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1108, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 73 ARG H 75 ILE QD1 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG H 79 VAL HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1180, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 73 ARG H 79 VAL QQG 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 ARG H 80 LEU H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 73 ARG H 80 LEU QQD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG H 81 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 ARG H 82 ILE QD1 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1238,1239,1240,
 &end
#
# 73 ARG HA 73 ARG HD2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1094, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 73 ARG HA 73 ARG HE 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 73 ARG HA 73 ARG HG2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 73 ARG HA 73 ARG HG3 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1092, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 73 ARG HA 74 MET H 2.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
# 73 ARG HA 74 MET HB3 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1113, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 73 ARG HA 75 ILE QD1 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HA 79 VAL QQG 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 ARG HA 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HB2 73 ARG HD2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1094, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 73 ARG HB2 73 ARG HD3 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 73 ARG HB2 73 ARG HE 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 73 ARG HB2 74 MET H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1108, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 73 ARG HB2 75 ILE QD1 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HB2 79 VAL QQG 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 ARG HB2 80 LEU QQD 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HB3 73 ARG HD2 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 73 ARG HB3 73 ARG HD3 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 73 ARG HB3 73 ARG HE 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 73 ARG HB3 74 MET H 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 73 ARG HB3 75 ILE QD1 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HB3 79 VAL QQG 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 ARG HB3 80 LEU QQD 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HB3 82 ILE QD1 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1238,1239,1240,
 &end
#
# 73 ARG HD2 74 MET H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 73 ARG HD2 75 ILE HG12 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 73 ARG HD2 75 ILE QD1 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HD2 80 LEU QQD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HD2 82 ILE QD1 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1238,1239,1240,
 &end
#
# 73 ARG HD3 74 MET H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 73 ARG HD3 75 ILE HG12 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1135, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 73 ARG HD3 75 ILE HG13 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1136, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 73 ARG HD3 75 ILE QD1 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HD3 80 LEU QQD 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HE 74 MET H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 73 ARG HE 75 ILE HG13 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1136, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 73 ARG HE 75 ILE QD1 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HE 80 LEU QQD 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HG2 73 ARG HE 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 73 ARG HG2 80 LEU QQD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 73 ARG HG3 73 ARG HE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 73 ARG HG3 74 MET H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 73 ARG HG3 75 ILE HG12 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1135, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 73 ARG HG3 75 ILE QD1 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1138,1139,1140,
 &end
#
# 73 ARG HG3 79 VAL QQG 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 73 ARG HG3 80 LEU H 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1194, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 73 ARG HG3 80 LEU QQD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 MET H 74 MET HA 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 74 MET H 74 MET HB2 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 74 MET H 74 MET HB3 2.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 74 MET H 74 MET HG3 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 74 MET H 75 ILE H 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 74 MET H 75 ILE HG13 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1136, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 74 MET H 79 VAL HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1180, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 74 MET H 79 VAL QQG 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 MET H 80 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 MET H 80 LEU QQD 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 MET HA 74 MET HG2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 74 MET HA 74 MET HG3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 74 MET HA 74 MET QE 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1119,1120,1121,
 &end
#
# 74 MET HA 75 ILE HG13 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1136, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 74 MET HA 75 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1131,1132,1133,
 &end
#
# 74 MET HA 77 GLY H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1154, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 74 MET HA 78 GLN H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1161, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 74 MET HA 79 VAL HA 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1180, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
# 74 MET HA 79 VAL HB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1182, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 74 MET HA 79 VAL QQG 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 MET HA 80 LEU H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1194, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 74 MET HA 80 LEU QQD 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 74 MET HB2 75 ILE H 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1125, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 74 MET HB2 79 VAL HA 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1180, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 74 MET HB2 79 VAL QQG 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 MET HB3 75 ILE H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 74 MET HG2 74 MET QE 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1119,1120,1121,
 &end
#
# 74 MET HG2 75 ILE H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 74 MET HG2 75 ILE HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 74 MET HG2 77 GLY H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1154, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 74 MET HG2 77 GLY HA2 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 74 MET HG2 77 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 MET HG2 78 GLN H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1161, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 74 MET HG2 78 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 MET HG3 74 MET QE 2.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2=1119,1120,1121,
 &end
#
# 74 MET HG3 75 ILE H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 74 MET HG3 75 ILE HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1127, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 74 MET HG3 77 GLY H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1154, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 74 MET HG3 77 GLY HA2 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1156, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 74 MET HG3 77 GLY HA3 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1157, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 74 MET HG3 78 GLN H 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1161, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 74 MET HG3 79 VAL HA 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1180, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 74 MET HG3 79 VAL QQG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 MET QE 75 ILE HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 77 GLY H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 77 GLY HA2 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 77 GLY HA3 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 78 GLN H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 78 GLN HA 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 79 VAL H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 79 VAL HA 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1119,1120,1121,
 &end
#
# 74 MET QE 79 VAL QQG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1=1119,1120,1121,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 74 MET QE 80 LEU H 5.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1119,1120,1121,
 &end
#
# 75 ILE H 75 ILE HB 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 75 ILE H 75 ILE HG12 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 75 ILE H 75 ILE HG13 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 75 ILE H 75 ILE QD1 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1138,1139,1140,
 &end
#
# 75 ILE H 75 ILE QG2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1131,1132,1133,
 &end
#
# 75 ILE H 76 ALA H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 75 ILE H 77 GLY H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1154, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 75 ILE H 78 GLN H 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1161, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 75 ILE H 79 VAL HA 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1180, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 75 ILE H 79 VAL QQG 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 75 ILE H 80 LEU H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1194, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 75 ILE H 80 LEU QQD 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ILE HA 75 ILE HG12 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 75 ILE HA 75 ILE HG13 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 75 ILE HA 75 ILE QD1 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1138,1139,1140,
 &end
#
# 75 ILE HA 75 ILE QG2 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1131,1132,1133,
 &end
#
# 75 ILE HA 76 ALA H 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 75 ILE HA 76 ALA HA 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1146, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 75 ILE HA 76 ALA QB 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1148,1149,1150,
 &end
#
# 75 ILE HA 77 GLY H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1154, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 75 ILE HA 78 GLN H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1161, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 75 ILE HA 80 LEU QQD 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ILE HB 75 ILE QD1 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1138,1139,1140,
 &end
#
# 75 ILE HB 76 ALA H 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1144, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 75 ILE HB 77 GLY H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1154, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 75 ILE HB 80 LEU HG 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1201, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 75 ILE HB 80 LEU QQD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ILE HG12 76 ALA H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1144, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 75 ILE QG1 79 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1135,1136,
 &end
#
# 75 ILE HG12 80 LEU HG 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1201, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 75 ILE HG12 80 LEU QQD 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ILE HG13 80 LEU QQD 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ILE QD1 79 VAL HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1138,1139,1140,
 &end
#
# 75 ILE QD1 80 LEU HB2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1138,1139,1140,
 &end
#
# 75 ILE QD1 80 LEU HB3 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1138,1139,1140,
 &end
#
# 75 ILE QD1 80 LEU HG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1138,1139,1140,
 &end
#
# 75 ILE QD1 80 LEU QQD 2.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1138,1139,1140,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 75 ILE QG2 75 ILE HG12 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
 igr1=1131,1132,1133,
 &end
#
# 75 ILE QG2 75 ILE HG13 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1131,1132,1133,
 &end
#
# 75 ILE QG2 76 ALA H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1131,1132,1133,
 &end
#
# 75 ILE QG2 76 ALA HA 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1131,1132,1133,
 &end
#
# 75 ILE QG2 76 ALA QB 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1131,1132,1133,
 igr2=1148,1149,1150,
 &end
#
# 75 ILE QG2 77 GLY H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1131,1132,1133,
 &end
#
# 75 ILE QG2 80 LEU HG 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1131,1132,1133,
 &end
#
# 76 ALA H 76 ALA QB 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1148,1149,1150,
 &end
#
# 76 ALA H 77 GLY H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 76 ALA H 77 GLY HA3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ALA H 78 GLN H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1161, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 76 ALA H 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 76 ALA HA 77 GLY H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1154, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 76 ALA HA 77 GLY HA2 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1156, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 76 ALA HA 77 GLY HA3 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1157, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 76 ALA QB 77 GLY H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1148,1149,1150,
 &end
#
# 76 ALA QB 77 GLY HA2 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1148,1149,1150,
 &end
#
# 76 ALA QB 77 GLY HA3 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1148,1149,1150,
 &end
#
# 76 ALA QB 78 GLN H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1148,1149,1150,
 &end
#
# 77 GLY H 77 GLY HA2 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 77 GLY H 78 GLN H 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1161, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 77 GLY H 78 GLN HA 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1163, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 77 GLY H 78 GLN HE21 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1174, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 77 GLY H 78 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 GLY H 80 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 77 GLY HA2 78 GLN H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1161, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 77 GLY HA2 78 GLN QG 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1168,1169,
 &end
#
# 77 GLY HA3 78 GLN H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1161, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 78 GLN H 78 GLN HE21 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1174, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 78 GLN H 78 GLN HE22 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 78 GLN H 78 GLN QB 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1165,1166,
 &end
#
# 78 GLN H 79 VAL H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 78 GLN H 80 LEU QQD 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 78 GLN HA 78 GLN HE21 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1174, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 78 GLN HA 78 GLN HE22 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1173, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 78 GLN HA 78 GLN QG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1168,1169,
 &end
#
# 78 GLN HA 79 VAL H 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1178, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 78 GLN HA 79 VAL HB 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1182, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 78 GLN HA 79 VAL QQG 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 78 GLN HE21 79 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 GLN QB 78 GLN HE21 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1165,1166,
 &end
#
# 78 GLN QB 78 GLN HE22 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1165,1166,
 &end
#
# 78 GLN QB 79 VAL H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1165,1166,
 &end
#
# 78 GLN QG 79 VAL H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1168,1169,
 &end
#
# 78 GLN QG 79 VAL QQG 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1=1168,1169,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL H 79 VAL HB 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1182, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 79 VAL H 79 VAL QQG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL H 80 LEU H 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1194, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 79 VAL H 80 LEU QQD 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 VAL HA 79 VAL QQG 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL HA 80 LEU H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1194, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 79 VAL HA 80 LEU HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 79 VAL HA 80 LEU HG 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1201, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 79 VAL HA 80 LEU QQD 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 VAL HB 80 LEU H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 79 VAL HB 80 LEU QQD 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 79 VAL QQG 80 LEU H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL QQG 80 LEU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL QQG 80 LEU HB2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL QQG 80 LEU HB3 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL QQG 81 ASP H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 79 VAL QQG 81 ASP HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
# 80 LEU H 80 LEU HB2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1198, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 80 LEU H 80 LEU HG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1201, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 80 LEU H 80 LEU QQD 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 80 LEU H 81 ASP H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1213, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 80 LEU HA 80 LEU QQD 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 80 LEU HA 81 ASP H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 80 LEU HA 81 ASP HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 80 LEU HA 81 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
# 80 LEU HB2 80 LEU QQD 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 80 LEU HB2 81 ASP H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 80 LEU HB2 82 ILE QD1 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1238,1239,1240,
 &end
#
# 80 LEU HB2 82 ILE QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1235,1236,
 &end
#
# 80 LEU HB3 80 LEU QQD 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
# 80 LEU HB3 81 ASP H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 80 LEU HB3 82 ILE QG1 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1235,1236,
 &end
#
# 80 LEU QQD 81 ASP H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1203,1204,1205,1207,1208,1209,
 &end
#
# 81 ASP H 81 ASP QB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1217,1218,
 &end
#
# 81 ASP HA 82 ILE H 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1225, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 81 ASP HA 82 ILE HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 81 ASP HA 82 ILE HB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 81 ASP HA 82 ILE QD1 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1238,1239,1240,
 &end
#
# 81 ASP HA 82 ILE QG1 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1235,1236,
 &end
#
# 81 ASP QB 82 ILE H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1217,1218,
 &end
#
# 82 ILE H 82 ILE HB 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 82 ILE H 82 ILE QD1 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1238,1239,1240,
 &end
#
# 82 ILE H 82 ILE QG1 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1235,1236,
 &end
#
# 82 ILE H 82 ILE QG2 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1231,1232,1233,
 &end
#
# 82 ILE H 83 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 82 ILE HA 82 ILE QD1 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1238,1239,1240,
 &end
#
# 82 ILE HA 82 ILE QG2 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1231,1232,1233,
 &end
#
# 82 ILE HA 83 ASN H 3.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 82 ILE HB 82 ILE QD1 3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1238,1239,1240,
 &end
#
# 82 ILE HB 83 ASN H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 82 ILE QD1 83 ASN H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1238,1239,1240,
 &end
#
# 82 ILE QG1 83 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1235,1236,
 &end
#
# 82 ILE QG2 82 ILE QG1 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1231,1232,1233,
 igr2=1235,1236,
 &end
#
# 82 ILE QG2 83 ASN H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1231,1232,1233,
 &end
#
# 82 ILE QG2 83 ASN HA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1231,1232,1233,
 &end
#
# 82 ILE QG2 83 ASN QB 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1231,1232,1233,
 igr2=1248,1249,
 &end
#
# 83 ASN H 83 ASN QD2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1253,1254,
 &end
#
# 83 ASN H 84 LEU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1258, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 83 ASN HA 83 ASN QD2 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1253,1254,
 &end
#
# 83 ASN QB 84 LEU H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1248,1249,
 &end
#
# 83 ASN QD2 84 LEU H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1253,1254,
 &end
#
# 83 ASN QD2 84 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1253,1254,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 83 ASN QD2 85 ALA HA 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1253,1254,
 &end
#
# 83 ASN QD2 85 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1253,1254,
 igr2=1281,1282,1283,
 &end
#
# 83 ASN QD2 87 GLU H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1253,1254,
 &end
#
# 83 ASN QD2 88 PRO HA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1253,1254,
 &end
#
# 83 ASN QD2 88 PRO HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1253,1254,
 &end
#
# 83 ASN QD2 88 PRO HB3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1253,1254,
 &end
#
# 83 ASN QD2 89 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1253,1254,
 &end
#
# 84 LEU H 84 LEU HB2 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1262, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 84 LEU H 84 LEU HB3 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1263, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 84 LEU H 84 LEU HG 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1265, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 84 LEU H 84 LEU QQD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU H 87 GLU H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1297, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 84 LEU HA 84 LEU HG 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 84 LEU HA 84 LEU QQD 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU HA 85 ALA HA 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 84 LEU HA 85 ALA QB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1281,1282,1283,
 &end
#
# 84 LEU HA 86 ALA H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1287, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 84 LEU HB2 84 LEU QQD 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU HB2 85 ALA H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 84 LEU HB2 87 GLU H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1297, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 84 LEU HB2 87 GLU HB2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1301, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 84 LEU HB2 87 GLU HG2 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1304, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 84 LEU HB2 87 GLU HG3 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 84 LEU HB3 84 LEU QQD 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU HB3 85 ALA H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 84 LEU HB3 85 ALA HA 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1279, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 84 LEU HB3 86 ALA H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1287, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 84 LEU HB3 86 ALA QB 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1291,1292,1293,
 &end
#
# 84 LEU HB3 87 GLU H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1297, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 84 LEU HG 85 ALA H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 84 LEU QQD 85 ALA H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 85 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 85 ALA QB 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1267,1268,1269,1271,1272,1273,
 igr2=1281,1282,1283,
 &end
#
# 84 LEU QQD 86 ALA H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 86 ALA HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 86 ALA QB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1267,1268,1269,1271,1272,1273,
 igr2=1291,1292,1293,
 &end
#
# 84 LEU QQD 87 GLU H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 87 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 87 GLU HB2 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 87 GLU HG2 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 84 LEU QQD 87 GLU HG3 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1267,1268,1269,1271,1272,1273,
 &end
#
# 85 ALA H 85 ALA QB 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1281,1282,1283,
 &end
#
# 85 ALA H 86 ALA H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1287, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 85 ALA H 86 ALA QB 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1291,1292,1293,
 &end
#
# 85 ALA H 87 GLU H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 85 ALA HA 86 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1291,1292,1293,
 &end
#
# 85 ALA HA 87 GLU H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1297, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 85 ALA QB 86 ALA H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1281,1282,1283,
 &end
#
# 85 ALA QB 86 ALA HA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1281,1282,1283,
 &end
#
# 85 ALA QB 86 ALA QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1281,1282,1283,
 igr2=1291,1292,1293,
 &end
#
# 85 ALA QB 87 GLU H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1281,1282,1283,
 &end
#
# 86 ALA H 86 ALA QB 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1291,1292,1293,
 &end
#
# 86 ALA H 87 GLU H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 86 ALA H 87 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 ALA HA 87 GLU H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1297, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 86 ALA HA 87 GLU HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 ALA HA 88 PRO HG3 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1317, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 86 ALA HA 88 PRO QD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1313,1314,
 &end
#
# 86 ALA QB 87 GLU H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1291,1292,1293,
 &end
#
# 86 ALA QB 87 GLU HA 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1291,1292,1293,
 &end
#
# 86 ALA QB 87 GLU HG2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1291,1292,1293,
 &end
#
# 86 ALA QB 87 GLU HG3 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1291,1292,1293,
 &end
#
# 86 ALA QB 88 PRO QD 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1291,1292,1293,
 igr2=1313,1314,
 &end
#
# 87 GLU H 87 GLU HB2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1301, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 87 GLU H 87 GLU HG2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1304, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 87 GLU H 87 GLU HG3 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1305, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 87 GLU H 88 PRO HG3 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1317, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 87 GLU H 88 PRO QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1313,1314,
 &end
#
# 87 GLU HA 87 GLU HG2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 87 GLU HA 87 GLU HG3 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1305, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 87 GLU HA 88 PRO HG2 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1316, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 87 GLU HA 88 PRO HG3 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1317, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 87 GLU HA 88 PRO QD 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1313,1314,
 &end
#
# 87 GLU HB2 87 GLU HG3 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 87 GLU HB2 88 PRO QD 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1313,1314,
 &end
#
# 87 GLU HB3 88 PRO QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
# 87 GLU HG2 88 PRO QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
# 87 GLU HG3 88 PRO QD 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1313,1314,
 &end
#
# 88 PRO HA 89 LYS H 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 88 PRO HA 89 LYS HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1328, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 88 PRO HA 90 VAL H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1348, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 88 PRO HA 90 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1354,1355,1356,1358,1359,1360,
 &end
#
# 88 PRO HB2 89 LYS H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1326, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 88 PRO HB2 89 LYS HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1328, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 89 LYS H 89 LYS QB 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1330,1331,
 &end
#
# 89 LYS H 89 LYS QD 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1336,1337,
 &end
#
# 89 LYS H 89 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1339,1340,
 &end
#
# 89 LYS H 89 LYS QG 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1333,1334,
 &end
#
# 89 LYS H 90 VAL H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1348, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 89 LYS HA 89 LYS QE 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1339,1340,
 &end
#
# 89 LYS HA 89 LYS QG 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1333,1334,
 &end
#
# 89 LYS HA 90 VAL HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1328,1350, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 89 LYS QB 89 LYS QD 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1330,1331,
 igr2=1336,1337,
 &end
#
# 89 LYS QB 89 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1330,1331,
 igr2=1339,1340,
 &end
#
# 89 LYS QB 90 VAL H 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1330,1331,
 &end
#
# 89 LYS QB 90 VAL HB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1330,1331,
 &end
#
# 89 LYS QD 90 VAL H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1336,1337,
 &end
#
# 89 LYS QG 89 LYS QE 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1333,1334,
 igr2=1339,1340,
 &end
#
# 90 VAL H 90 VAL HB 2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
# 90 VAL H 90 VAL QQG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL H 91 ASN H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1364, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 90 VAL H 91 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 VAL H 92 ARG H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1378, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 90 VAL HA 90 VAL HB 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 90 VAL HA 90 VAL QQG 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL HA 91 ASN H 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1364, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 90 VAL HA 91 ASN HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1366, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 90 VAL HA 91 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 VAL HA 91 ASN HB3 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1369, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 90 VAL HA 91 ASN HD21 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 90 VAL HA 91 ASN HD22 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1373, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 90 VAL HA 92 ARG H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1378, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 90 VAL HB 91 ASN H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 90 VAL HB 92 ARG H 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1378, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 90 VAL QQG 91 ASN H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 91 ASN HA 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 91 ASN HB2 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 91 ASN HB3 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 91 ASN HD21 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 91 ASN HD22 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 92 ARG H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 92 ARG HA 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1380, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 90 VAL QQG 92 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1354,1355,1356,1358,1359,1360,
 igr2=1388,1389,
 &end
#
# 90 VAL QQG 93 GLY H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1354,1355,1356,1358,1359,1360,
 &end
#
# 91 ASN H 91 ASN HB2 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1368, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 91 ASN H 91 ASN HB3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1369, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 91 ASN H 91 ASN HD21 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1374, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 91 ASN H 91 ASN HD22 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1373, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 91 ASN H 92 ARG H 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1378, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 91 ASN H 93 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91 ASN HA 91 ASN HB3 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1369, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 91 ASN HA 91 ASN HD21 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 91 ASN HA 91 ASN HD22 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1373, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 91 ASN HA 92 ARG H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1378, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 91 ASN HA 93 GLY H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1402, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 91 ASN HB2 91 ASN HD21 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1374, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 91 ASN HB2 91 ASN HD22 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 91 ASN HB2 92 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 91 ASN HB2 92 ARG QB 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1382,1383,
 &end
#
# 91 ASN HB2 93 GLY H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1402, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 91 ASN HB3 91 ASN HD21 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1374, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 91 ASN HB3 92 ARG QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1382,1383,
 &end
#
# 91 ASN HD21 92 ARG H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 91 ASN HD21 92 ARG HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1374,1380, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 92 ARG H 92 ARG HE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 92 ARG H 92 ARG QB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1382,1383,
 &end
#
# 92 ARG H 92 ARG QG 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1385,1386,
 &end
#
# 92 ARG H 93 GLY H 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1378,1402, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 92 ARG HA 92 ARG HE 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1391, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 92 ARG HA 92 ARG QB 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1382,1383,
 &end
#
# 92 ARG HA 92 ARG QD 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1388,1389,
 &end
#
# 92 ARG HA 92 ARG QG 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1385,1386,
 &end
#
# 92 ARG HA 93 GLY H 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 92 ARG HA 93 GLY QA 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1404,1405,
 &end
#
# 92 ARG QB 92 ARG HE 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1382,1383,
 &end
#
# 92 ARG QB 92 ARG QD 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1382,1383,
 igr2=1388,1389,
 &end
#
# 92 ARG QB 92 ARG QG 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1382,1383,
 igr2=1385,1386,
 &end
#
# 92 ARG QB 93 GLY H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1382,1383,
 &end
#
# 92 ARG QB 93 GLY QA 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1382,1383,
 igr2=1404,1405,
 &end
#
# 92 ARG QG 92 ARG HE 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1385,1386,
 &end
#
# 92 ARG QG 93 GLY H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1385,1386,
 &end
#
# 92 ARG QG 93 GLY QA 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1385,1386,
 igr2=1404,1405,
 &end
#
# 93 GLY H 93 GLY QA 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2=1404,1405,
 &end
#
# 93 GLY H 94 LYS H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 93 GLY H 94 LYS HG3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 93 GLY QA 94 LYS H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1404,1405,
 &end
#
# 93 GLY QA 94 LYS HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1404,1405,
 &end
#
# 93 GLY QA 94 LYS HB2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1404,1405,
 &end
#
# 93 GLY QA 94 LYS HG2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1404,1405,
 &end
#
# 94 LYS H 94 LYS HA 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1411, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 94 LYS H 94 LYS QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2=1413,1414,
 &end
#
# 94 LYS H 94 LYS HG2 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1416, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 94 LYS H 94 LYS HG3 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1417, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 94 LYS H 94 LYS QE 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1422,1423,
 &end
#
# 94 LYS H 95 ALA H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1431, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 94 LYS H 95 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1435,1436,1437,
 &end
#
# 94 LYS HA 94 LYS QB 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1413,1414,
 &end
#
# 94 LYS HA 94 LYS HG3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1417, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 94 LYS HA 94 LYS QE 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1422,1423,
 &end
#
# 94 LYS HB2 94 LYS QG 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2=1416,1417,
 &end
#
# 94 LYS HB2 94 LYS QD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1419,1420,
 &end
#
# 94 LYS HB2 94 LYS QE 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1422,1423,
 &end
#
# 94 LYS HB2 95 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 94 LYS HB2 95 ALA QB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1435,1436,1437,
 &end
#
# 94 LYS HB3 94 LYS QE 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1414,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1422,1423,
 &end
#
# 94 LYS HG2 94 LYS QD 2.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1419,1420,
 &end
#
# 94 LYS QD 94 LYS QE 2.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1419,1420,
 igr2=1422,1423,
 &end
#
# 94 LYS QE 95 ALA QB 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=1422,1423,
 igr2=1435,1436,1437,
 &end
#
# 95 ALA H 95 ALA QB 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1435,1436,1437,
 &end
#
# 95 ALA H 96 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1443,1444,
 &end
#
# 95 ALA H 97 VAL QQG 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 95 ALA HA 96 GLY QA 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1443,1444,
 &end
#
# 95 ALA HA 97 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 95 ALA HA 97 VAL QQG 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 95 ALA QB 96 GLY H 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1=1435,1436,1437,
 &end
#
# 95 ALA QB 96 GLY QA 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1435,1436,1437,
 igr2=1443,1444,
 &end
#
# 95 ALA QB 97 VAL H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1435,1436,1437,
 &end
#
# 95 ALA QB 97 VAL HA 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1435,1436,1437,
 &end
#
# 95 ALA QB 97 VAL QQG 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1435,1436,1437,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 GLY H 96 GLY QA 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1443,1444,
 &end
#
# 96 GLY H 97 VAL H 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 96 GLY H 97 VAL HA 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1450, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 96 GLY H 97 VAL HB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1452, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 96 GLY H 97 VAL QQG 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 GLY QA 97 VAL H 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1=1443,1444,
 &end
#
# 96 GLY QA 97 VAL HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1443,1444,
 &end
#
# 96 GLY QA 97 VAL HB 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1443,1444,
 &end
#
# 96 GLY QA 97 VAL QQG 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1443,1444,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 96 GLY QA 98 LYS H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1443,1444,
 &end
#
# 97 VAL H 97 VAL HA 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1450, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 97 VAL H 97 VAL HB 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 97 VAL H 97 VAL QQG 2.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 97 VAL H 98 LYS H 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1464, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 97 VAL HA 97 VAL QQG 2.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1454,1455,1456,1458,1459,1460,
 &end
#
# 97 VAL HA 98 LYS HA 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 97 VAL HA 98 LYS HB2 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1450,1468, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 97 VAL HB 98 LYS H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1464, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 97 VAL HB 98 LYS HA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1466, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 97 VAL QQG 98 LYS H 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1454,1455,1456,1458,1459,1460,
 &end
#
# 97 VAL QQG 98 LYS HA 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1454,1455,1456,1458,1459,1460,
 &end
#
# 97 VAL QQG 98 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1454,1455,1456,1458,1459,1460,
 igr2=1477,1478,
 &end
#
# 97 VAL QQG 98 LYS QG 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1=1454,1455,1456,1458,1459,1460,
 igr2=1471,1472,
 &end
#
# 98 LYS H 98 LYS HB2 2.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1468, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 98 LYS H 98 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1477,1478,
 &end
#
# 98 LYS H 98 LYS QG 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1471,1472,
 &end
#
# 98 LYS HA 98 LYS QD 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1474,1475,
 &end
#
# 98 LYS HA 98 LYS QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1477,1478,
 &end
#
# 98 LYS HA 98 LYS QG 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1471,1472,
 &end
#
# 98 LYS HA 99 ARG H 2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1486, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 98 LYS HB2 98 LYS QE 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1477,1478,
 &end
#
# 98 LYS HB3 98 LYS QD 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1469,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1474,1475,
 &end
#
# 98 LYS HB3 99 ARG H 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1469,1486, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 98 LYS QD 98 LYS QE 2.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1=1474,1475,
 igr2=1477,1478,
 &end
#
# 98 LYS QD 99 ARG H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1474,1475,
 &end
#
# 98 LYS QE 104 MET QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=1477,1478,
 igr2=1567,1568,1569,
 &end
#
# 98 LYS QG 98 LYS QD 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1471,1472,
 igr2=1474,1475,
 &end
#
# 98 LYS QG 98 LYS QE 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1471,1472,
 igr2=1477,1478,
 &end
#
# 98 LYS QG 99 ARG H 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1471,1472,
 &end
#
# 99 ARG H 99 ARG QD 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1496,1497,
 &end
#
# 99 ARG H 99 ARG QG 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1493,1494,
 &end
#
# 99 ARG HA 100 SER H 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1510, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 99 ARG HA 99 ARG HB2 2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1490, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 99 ARG HA 99 ARG QD 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1496,1497,
 &end
#
# 99 ARG HA 99 ARG QG 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1493,1494,
 &end
#
# 99 ARG HB2 104 MET QE 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1490,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1567,1568,1569,
 &end
#
# 99 ARG HB2 104 MET QG 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1490,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1563,1564,
 &end
#
# 99 ARG HB2 99 ARG QD 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1490,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=1496,1497,
 &end
#
# 99 ARG HB2 99 ARG QG 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1490,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2=1493,1494,
 &end
#
# 99 ARG HB3 100 SER H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1510, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 99 ARG HB3 100 SER HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1512, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 99 ARG HB3 101 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 99 ARG HB3 103 GLU HB2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1545, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 99 ARG HB3 103 GLU QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1548,1549,
 &end
#
# 99 ARG HB3 104 MET HA 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1558, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 99 ARG HB3 104 MET QE 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1567,1568,1569,
 &end
#
# 99 ARG HB3 99 ARG QD 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=1496,1497,
 &end
#
# 99 ARG HB3 99 ARG QG 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2=1493,1494,
 &end
#
# 99 ARG QD 100 SER H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1496,1497,
 &end
#
# 99 ARG QD 104 MET QE 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1496,1497,
 igr2=1567,1568,1569,
 &end
#
# 99 ARG QG 100 SER H 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1493,1494,
 &end
#
# 99 ARG QG 103 GLU QG 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1493,1494,
 igr2=1548,1549,
 &end
#
# 99 ARG QG 104 MET QE 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1493,1494,
 igr2=1567,1568,1569,
 &end
#
# 99 ARG QG 99 ARG QD 2.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1493,1494,
 igr2=1496,1497,
 &end
#
# 100 SER H 100 SER QB 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1514,1515,
 &end
#
# 100 SER H 101 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 SER H 102 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1535,1536,1537,
 &end
#
# 100 SER H 103 GLU H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1541, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 100 SER H 103 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 100 SER H 103 GLU QG 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1548,1549,
 &end
#
# 100 SER HA 100 SER QB 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2=1514,1515,
 &end
#
# 100 SER HA 101 ALA H 2.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1521, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 100 SER HA 101 ALA HA 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1523, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 100 SER HA 101 ALA QB 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1525,1526,1527,
 &end
#
# 100 SER QB 101 ALA H 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1514,1515,
 &end
#
# 100 SER QB 101 ALA QB 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1514,1515,
 igr2=1525,1526,1527,
 &end
#
# 100 SER QB 102 ALA H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1531, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1514,1515,
 &end
#
# 100 SER QB 102 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1514,1515,
 &end
#
# 100 SER QB 102 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1514,1515,
 igr2=1535,1536,1537,
 &end
#
# 100 SER QB 103 GLU H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1514,1515,
 &end
#
# 100 SER QB 103 GLU HA 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1514,1515,
 &end
#
# 100 SER QB 103 GLU QG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1514,1515,
 igr2=1548,1549,
 &end
#
# 100 SER QB 104 MET HA 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1514,1515,
 &end
#
# 101 ALA H 101 ALA QB 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1525,1526,1527,
 &end
#
# 101 ALA H 102 ALA H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1531, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 101 ALA H 103 GLU H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 101 ALA HA 103 GLU H 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,1541, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 101 ALA HA 104 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 101 ALA HA 104 MET QB 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1560,1561,
 &end
#
# 101 ALA HA 104 MET QE 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1567,1568,1569,
 &end
#
# 101 ALA HA 104 MET QG 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1563,1564,
 &end
#
# 101 ALA QB 102 ALA H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1531, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1525,1526,1527,
 &end
#
# 101 ALA QB 103 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1525,1526,1527,
 &end
#
# 101 ALA QB 104 MET H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1525,1526,1527,
 &end
#
# 101 ALA QB 104 MET QG 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1525,1526,1527,
 igr2=1563,1564,
 &end
#
# 102 ALA H 102 ALA QB 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=1535,1536,1537,
 &end
#
# 102 ALA H 103 GLU HB2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,1545, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 102 ALA H 103 GLU QG 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1548,1549,
 &end
#
# 102 ALA HA 104 MET H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1533,1556, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 102 ALA QB 103 GLU H 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=1535,1536,1537,
 &end
#
# 102 ALA QB 103 GLU HB2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1535,1536,1537,
 &end
#
# 102 ALA QB 103 GLU QG 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1535,1536,1537,
 igr2=1548,1549,
 &end
#
# 102 ALA QB 104 MET H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1535,1536,1537,
 &end
#
# 103 GLU H 103 GLU HB2 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1545, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 103 GLU H 103 GLU HB3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1546, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 103 GLU H 103 GLU QG 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1548,1549,
 &end
#
# 103 GLU HA 103 GLU QG 3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1548,1549,
 &end
#
# 103 GLU HA 104 MET H 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1556, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 103 GLU HB2 103 GLU QG 2.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=1548,1549,
 &end
#
# 103 GLU HB2 104 MET H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1545,1556, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 103 GLU HB2 104 MET HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1545,1558, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 103 GLU HB3 103 GLU QG 2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2=1548,1549,
 &end
#
# 103 GLU QG 104 MET H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1548,1549,
 &end
#
# 104 MET H 104 MET HA 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1558, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 104 MET H 104 MET QB 2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2=1560,1561,
 &end
#
# 104 MET H 104 MET QG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1563,1564,
 &end
#
# 104 MET HA 104 MET QB 2.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2=1560,1561,
 &end
#
# 104 MET HA 104 MET QE 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1567,1568,1569,
 &end
#
# 104 MET HA 104 MET QG 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1563,1564,
 &end
#
# 104 MET HA 105 TYR HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1575, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 104 MET HA 105 TYR QD 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1581,1590,
 &end
#
# 104 MET QB 104 MET QE 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1560,1561,
 igr2=1567,1568,1569,
 &end
#
# 104 MET QB 105 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1560,1561,
 &end
#
# 104 MET QB 105 TYR QD 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1560,1561,
 igr2=1581,1590,
 &end
#
# 104 MET QB 105 TYR QE 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1560,1561,
 igr2=1583,1588,
 &end
#
# 104 MET QB 106 GLY H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1560,1561,
 &end
#
# 104 MET QE 105 TYR H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1567,1568,1569,
 &end
#
# 104 MET QE 105 TYR QD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1567,1568,1569,
 igr2=1581,1590,
 &end
#
# 104 MET QE 105 TYR QE 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1567,1568,1569,
 igr2=1583,1588,
 &end
#
# 104 MET QG 104 MET QE 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1563,1564,
 igr2=1567,1568,1569,
 &end
#
# 105 TYR H 105 TYR HB2 2.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,1577, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 105 TYR H 105 TYR HB3 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,1578, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 105 TYR H 105 TYR QD 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1581,1590,
 &end
#
# 105 TYR H 106 GLY H 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,1594, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 105 TYR H 106 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1596,1597,
 &end
#
# 105 TYR HA 105 TYR HB3 3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1575,1578, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 105 TYR HA 105 TYR QD 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1575,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1581,1590,
 &end
#
# 105 TYR HA 105 TYR QE 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1575,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1583,1588,
 &end
#
# 105 TYR HB2 106 GLY H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1577,1594, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 105 TYR HB3 106 GLY H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1578,1594, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 105 TYR QD 106 GLY H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1581,1590,
 &end
#
# 105 TYR QD 106 GLY QA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1581,1590,
 igr2=1596,1597,
 &end
#
# 19 PHE HB2 83 ASN H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,1244, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 19 PHE HB2 83 ASN QD2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1253,1254,
 &end
#
# 19 PHE QE 52 PHE HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 272, 276,
 &end
#
# 34 GLU QB 38 SER H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 507, 508,
 &end
#
# 42 LYS H 62 ASN HB2 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 953, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 42 LYS H 62 ASN HB3 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 954, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 47 SER HB2 49 HIS HE1 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 739, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 48 VAL HB 49 HIS HD2 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 743, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 49 HIS H 52 PHE QR 6.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 784, 792, 786, 790,
 &end
#
# 49 HIS HB2 51 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 HIS HB2 52 PHE QE 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 786, 790,
 &end
#
# 49 HIS HB2 52 PHE HZ 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 49 HIS HB2 53 ALA HA 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 798, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 49 HIS HB3 52 PHE QE 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 786, 790,
 &end
#
# 49 HIS HB3 52 PHE HZ 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 54 PHE QD 55 VAL HB 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 814, 822,
 &end
#
# 83 ASN HD21 87 GLU HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1299, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 19 PHE QE 109 URA H1' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,

      rk2=50, rk3=50, ir6=1, ialtd=0,
 igr1= 272, 276,
 &end
#
# 19 PHE HZ 109 URA H1' 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1673, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 19 PHE HZ 109 URA H2' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1688, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 19 PHE HZ 109 URA H3' 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1686, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 19 PHE HZ 109 URA H4' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1670, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 19 PHE HZ 109 URA H6 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE QE 110 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 272, 276,
 &end
#
# 19 PHE QD 110 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 270, 278,
 &end
#
# 54 PHE HZ 110 URA H1' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,1703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 19 PHE QE 110 URA H3' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 272, 276,
 &end
#
# 19 PHE QE 110 URA H4' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 272, 276,
 &end
#
# 52 PHE QR 110 URA H4' 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 784, 792, 786, 790,
 &end
#
# 54 PHE HZ 110 URA H4' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,1700, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 19 PHE HZ 110 URA H5 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 274,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 HIS HE1 111 URA H1' 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1733, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 54 PHE HB2 111 URA H1' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 810,1733, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 54 PHE HB3 111 URA H1' 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 811,1733, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 49 HIS HE1 111 URA H3' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1746, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 52 PHE QR 111 URA H4' 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 784, 792, 786, 790,
 &end
#
# 54 PHE QR 111 URA H4' 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 814, 822, 816, 820,
 &end
#
# 49 HIS HE1 111 URA H4' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1730, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 52 PHE QR 111 URA Q5' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 784, 792, 786, 790,
 igr2=1727,1728,
 &end
#
# 54 PHE HZ 111 URA H5 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,1738, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 52 PHE QR 111 URA H6 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1736, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 784, 792, 786, 790,
 &end
#
# 54 PHE QD 111 URA H6 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1736, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 814, 822,
 &end
#
# 49 HIS HE1 112 URA H1' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 49 HIS HE1 112 URA H2' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1778, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 49 HIS HE1 112 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1760, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 49 HIS HE1 112 URA Q5' 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1757,1758,
 &end
#
# 49 HIS HE1 112 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1768, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 49 HIS HE1 112 URA H6 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 739,1766, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 109 URA Q5' 109 URA H1' 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1667,1668,
 &end
#
# 109 URA H1' 110 URA H6 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1706, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 109 URA H2' 109 URA H5 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1688,1678, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 109 URA H2' 109 URA H6 2.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1688,1676, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 109 URA H3' 109 URA H6 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 109 URA Q5' 109 URA H6 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1667,1668,
 &end
#
# 110 URA H1' 111 URA H2' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1748, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 110 URA H1' 111 URA H5 2.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1738, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 110 URA H1' 111 URA H6 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1736, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110 URA H2' 110 URA H6 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1706, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 110 URA H2' 111 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1738, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 110 URA H3' 110 URA H6 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1706, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 110 URA H3' 111 URA H6 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 110 URA H4' 111 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1730, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 110 URA H4' 111 URA Q5' 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1727,1728,
 &end
#
# 110 URA H4' 111 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1738, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 110 URA H4' 111 URA H6 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 110 URA Q5' 110 URA H6 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1697,1698,
 &end
#
# 111 URA Q5' 111 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1733, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1727,1728,
 &end
#
# 111 URA H1' 112 URA H5 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1733,1768, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 111 URA H1' 112 URA H6 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1733,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 111 URA H2' 111 URA H5 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1738, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 111 URA H2' 112 URA H5 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1768, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 111 URA H3' 111 URA H6 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1746,1736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 111 URA Q5' 111 URA H6 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1727,1728,
 &end
#
# 112 URA H2' 112 URA H6 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1766, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 112 URA Q5' 112 URA H6 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1757,1758,
 &end
#
# 21 GLY HA2 109 URA H1' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1673, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 21 GLY HA3 109 URA H1' 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 304,1673, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 22 ASN HA 109 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1673, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 52 PHE HA 109 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,1673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 52 PHE HB2 109 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,1673, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 52 PHE HB3 109 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 81 ASP QB 109 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1217,1218,
 &end
#
# 92 ARG QB 109 URA H1' 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1382,1383,
 &end
#
# 92 ARG QD 109 URA H1' 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1388,1389,
 &end
#
# 92 ARG QG 109 URA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1385,1386,
 &end
#
# 21 GLY HA2 109 URA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 GLY HA3 109 URA H2' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 304,1688, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22 ASN HA 109 URA H2' 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1688, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 22 ASN QB 109 URA H2' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 312, 313,
 &end
#
# 92 ARG QD 109 URA H2' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1388,1389,
 &end
#
# 92 ARG QG 109 URA H2' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1385,1386,
 &end
#
# 94 LYS HA 109 URA H2' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1688, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 94 LYS QB 109 URA H2' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1413,1414,
 &end
#
# 21 GLY HA2 109 URA H4' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 21 GLY HA3 109 URA H4' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 304,1670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 52 PHE HA 109 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,1670, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 52 PHE HB2 109 URA H4' 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,1670, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 52 PHE HB3 109 URA H4' 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 52 PHE HB3 109 URA Q5' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=1667,1668,
 &end
#
# 94 LYS QD 109 URA Q5' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1419,1420,
 igr2=1667,1668,
 &end
#
# 22 ASN HA 109 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1678, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 22 ASN QB 109 URA H5 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 312, 313,
 &end
#
# 81 ASP HB2 109 URA H5 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 81 ASP HB3 109 URA H5 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1678, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 92 ARG QG 109 URA H5 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1385,1386,
 &end
#
# 93 GLY QA 109 URA H5 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1404,1405,
 &end
#
# 94 LYS HA 109 URA H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1678, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 94 LYS QB 109 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1413,1414,
 &end
#
# 94 LYS QG 109 URA H5 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1416,1417,
 &end
#
# 95 ALA HA 109 URA H5 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1678, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 95 ALA QB 109 URA H5 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1435,1436,1437,
 &end
#
# 21 GLY HA2 109 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1676, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 22 ASN HA 109 URA H6 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1676, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22 ASN HB2 109 URA H6 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,1676, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 22 ASN HB3 109 URA H6 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 313,1676, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 93 GLY QA 109 URA H6 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1404,1405,
 &end
#
# 94 LYS HA 109 URA H6 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1676, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 94 LYS QB 109 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1413,1414,
 &end
#
# 94 LYS QD 109 URA H6 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1419,1420,
 &end
#
# 95 ALA HA 109 URA H6 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1676, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 14 MET QE 110 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 191, 192, 193,
 &end
#
# 19 PHE HA 110 URA H1' 6.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 264,1703, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 85 ALA HA 110 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1703, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 85 ALA QB 110 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1281,1282,1283,
 &end
#
# 92 ARG QD 110 URA H1' 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1703, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1388,1389,
 &end
#
# 92 ARG QD 110 URA H2' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1389,
 &end
#
# 92 ARG QD 110 URA H3' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1389,
 &end
#
# 52 PHE HB2 110 URA H4' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,1700, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 52 PHE HB3 110 URA H4' 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 88 PRO HA 110 URA H5 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 92 ARG QD 110 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1388,1389,
 &end
#
# 52 PHE HA 110 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1697,1698,
 &end
#
# 52 PHE HB2 110 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1697,1698,
 &end
#
# 52 PHE HB3 110 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1697,1698,
 &end
#
# 88 PRO HB3 110 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1706, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 88 PRO HB2 110 URA H6 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 88 PRO HG3 110 URA H6 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 92 ARG QD 110 URA H6 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1388,1389,
 &end
#
# 7 ASN HA 111 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1733, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 7 ASN HB2 111 URA H1' 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7 ASN HB3 111 URA H1' 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1733, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 9 THR QG2 111 URA H5 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 111, 112, 113,
 &end
#
# 14 MET QE 111 URA H5 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 191, 192, 193,
 &end
#
# 85 ALA QB 111 URA H5 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1738, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1281,1282,1283,
 &end
#
# 7 ASN HA 111 URA H6 6.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1736, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 4 ASN HA 112 URA H1' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,1763, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 4 ASN QB 112 URA H1' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1763, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  29,  30,
 &end
#
# 4 ASN QD2 112 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1763, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=  34,  35,
 &end
#
# 5 VAL QQG 112 URA H1' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1763, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 6 THR QG2 112 URA H1' 6.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1763, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=  61,  62,  63,
 &end
#
# 47 SER HA 112 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,1763, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 47 SER HB2 112 URA H1' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 707,1763, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 47 SER HB3 112 URA H1' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 708,1763, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5 VAL QQG 112 URA H2' 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 49 HIS HA 112 URA H4' 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,1760, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 49 HIS HA 112 URA Q5' 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1757,1758,
 &end
#
# 49 HIS QB 112 URA Q5' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 734, 735,
 igr2=1757,1758,
 &end
#
# 5 VAL QQG 112 URA H5 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 6 THR QG2 112 URA H5 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  61,  62,  63,
 &end
#
# 7 ASN HA 112 URA H5 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1768, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 7 ASN HB2 112 URA H5 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1768, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 7 ASN HB3 112 URA H5 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5 VAL QQG 112 URA H6 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  45,  46,  47,  49,  50,  51,
 &end
#
# 7 ASN HB2 112 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1766, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 7 ASN HB3 112 URA H6 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  74,1766, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 14 MET QE 110 URA H3 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 191, 192, 193,
 &end
#
# 19 PHE HB2 110 URA H3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 266,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 PHE QD 110 URA H3 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 270, 278,
 &end
#
# 85 ALA HA 110 URA H3 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1712, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 85 ALA QB 110 URA H3 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1281,1282,1283,
 &end
#
# 86 ALA HA 110 URA H3 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1712, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 ALA QB 110 URA H3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1291,1292,1293,
 &end
#
# 88 PRO QB 110 URA H3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
# 88 PRO QG 110 URA H3 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1316,1317,
 &end
#
# 7 ASN H 112 URA H5 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,1768, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 7 ASN HD21 112 URA H5 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  79,1768, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 7 ASN HD22 111 URA H1' 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7 ASN HD22 112 URA H5 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 21 GLY H 109 URA H1' 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1673, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 22 ASN H 109 URA H1' 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 308,1673, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 22 ASN HD21 109 URA H5 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 318,1678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 92 ARG HE 110 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1706, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 95 ALA H 109 URA H5 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 26 LEU QD2 107 RADE H1' 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 382, 383, 384,
 &end
#
# 26 LEU QD1 107 RADE H1' 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 378, 379, 380,
 &end
#
# 50 LYS QE 107 RADE H1' 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 760, 761,
 &end
#
# 50 LYS QD 107 RADE H2' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 757, 758,
 &end
#
# 50 LYS QE 107 RADE H2' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 760, 761,
 &end
#
# 50 LYS QD 107 RADE H3' 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 757, 758,
 &end
#
# 26 LEU QD1 107 RADE H3' 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 378, 379, 380,
 &end
#
# 50 LYS QE 107 RADE H3' 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 760, 761,
 &end
#
# 26 LEU QD2 107 RADE Q5' 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 382, 383, 384,
 igr2=1604,1605,
 &end
#
# 26 LEU QD1 107 RADE Q5' 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 378, 379, 380,
 igr2=1604,1605,
 &end
#
# 26 LEU HA 107 RADE H8 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 371,1613, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 26 LEU QD2 107 RADE H8 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 382, 383, 384,
 &end
#
# 26 LEU QD1 107 RADE H8 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 378, 379, 380,
 &end
#
# 26 LEU HG 107 RADE H8 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 376,1613, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 50 LYS QD 107 RADE H8 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 757, 758,
 &end
#
# 50 LYS QE 107 RADE H8 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1613, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 760, 761,
 &end
#
# 25 THR QG2 108 URA H1' 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 361, 362, 363,
 &end
#
# 51 GLY HA3 108 URA H1' 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 772,1643, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 26 LEU QD2 108 URA H2' 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 382, 383, 384,
 &end
#
# 50 LYS QB 108 URA H4' 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 751, 752,
 &end
#
# 50 LYS QG 108 URA H4' 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 754, 755,
 &end
#
# 50 LYS QD 108 URA Q5' 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 757, 758,
 igr2=1637,1638,
 &end
#
# 26 LEU QD2 108 URA H5 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 382, 383, 384,
 &end
#
# 26 LEU QD1 108 URA H5 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 378, 379, 380,
 &end
#
# 25 THR QG2 108 URA H6 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 361, 362, 363,
 &end
#
# 26 LEU QD2 108 URA H6 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 382, 383, 384,
 &end
#
# 26 LEU QD1 108 URA H6 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 378, 379, 380,
 &end
#
# 26 LEU HG 108 URA H6 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 376,1646, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 107 RADE H1' 107 RADE H5' 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1604, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 107 RADE H1' 107 RADE H8 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1613, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 107 RADE H1' 108 URA H6 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1610,1646, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 107 RADE H2' 107 RADE H8 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1613, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 107 RADE H2' 108 URA H5 5.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1648, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
# 107 RADE H3' 107 RADE H8 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1613, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 107 RADE H3' 108 URA H2' 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1658, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 107 RADE H3' 108 URA H5 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1648, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 107 RADE H3' 108 URA H6 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 107 RADE H4' 108 URA H5 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1607,1648, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 RADE H4' 108 URA H6 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1607,1646, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 107 RADE Q5' 108 URA H5 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1604,1605,
 &end
#
# 107 RADE Q5' 108 URA H6 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1604,1605,
 &end
#
# 107 RADE H8 108 URA H5 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1648, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 107 RADE H8 108 URA H6 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1646, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 108 URA H1' 108 URA H6 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1646, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 108 URA H2' 108 URA H5 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 108 URA H2' 108 URA H6 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1646, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 108 URA H3' 108 URA H6 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1656,1646, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 108 URA H5' 108 URA H6 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1646, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 6 THR H 112 URA O4 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  55,1770, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=60, rk3=60, ir6=1, ialtd=0,
 &end
#
# 6 THR N 112 URA O4 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  54,1770, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 49 HIS H 52 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 794, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 49 HIS N 52 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 794, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 47 SER H 54 PHE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 824, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 47 SER N 54 PHE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 824, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 56 GLN H 45 GLY O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 690, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 56 GLN N 45 GLY O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 690, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 55 VAL H 18 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 260, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 55 VAL N 18 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 260, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 54 PHE H 47 SER O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 712, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 54 PHE N 47 SER O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 712, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 53 ALA H 20 ILE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 299, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 53 ALA N 20 ILE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 299, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 18 VAL H 55 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 840, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 18 VAL N 55 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 840, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 19 PHE H 83 ASN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1256, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 19 PHE N 83 ASN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1256, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 20 ILE H 53 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 804, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 20 ILE N 53 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 804, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 21 GLY H 81 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1223, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 21 GLY N 81 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 300,1223, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 75 ILE H 78 GLN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1176, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 75 ILE N 78 GLN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1176, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 78 GLN H 75 ILE O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1142, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 78 GLN N 75 ILE O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1142, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 36 ILE H 32 ASP O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 485, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 36 ILE N 32 ASP O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 485, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 37 PHE H 33 VAL O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 501, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 37 PHE N 33 VAL O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 501, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 70 GLU H 66 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1015, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 70 GLU N 66 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1015, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 69 GLY H 65 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1005, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 69 GLY N 65 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1005, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 68 ALA H 64 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1033, 995, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 68 ALA N 64 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1032, 995, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 67 VAL H 63 ALA O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1017, 971, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 67 VAL N 63 ALA O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1016, 971, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 66 ALA H 62 ASN O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1007, 961, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 66 ALA N 62 ASN O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1006, 961, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 65 ALA H 61 ARG O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 997, 947, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 65 ALA N 61 ARG O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 996, 947, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 64 ARG H 60 GLU O 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 923, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 64 ARG N 60 GLU O 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 923, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
# 1813 atoms read from pdb file amber_cycle001.pdb.
# 107 ADE DELTA:  (107 RA5 C5')-(107 RA5 C4')-(107 RA5 C3')-(107 RA5 O3') 125.0 170.0
 &rst     iat =  1603,  1606,  1625,  1631,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
   rk2 =   600, rk3 =   600,    &end

# 108 URA DELTA:  (108 RU C5')-(108 RU C4')-(108 RU C3')-(108 RU O3') 125.0 160.0
 &rst     iat =  1636,  1639,  1655,  1661,
   r1 = 124.0, r2 = 125.0, r3 = 160.0, r4 = 161.0,
 &end

# 109 URA DELTA:  (109 RU C5')-(109 RU C4')-(109 RU C3')-(109 RU O3') 125.0 170.0
 &rst     iat =  1666,  1669,  1685,  1691,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

# 110 URA DELTA:  (110 RU C5')-(110 RU C4')-(110 RU C3')-(110 RU O3') 125.0 170.0
 &rst     iat =  1696,  1699,  1715,  1721,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

# 111 URA DELTA:  (111 RU C5')-(111 RU C4')-(111 RU C3')-(111 RU O3') 125.0 170.0
 &rst     iat =  1726,  1729,  1745,  1751,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

# 112 URA DELTA:  (112 RU C5')-(112 RU C4')-(112 RU C3')-(112 RU O3') 125.0 170.0
 &rst     iat =  1756,  1759,  1775,  1781,
   r1 = 124.0, r2 = 125.0, r3 = 170.0, r4 = 171.0,
 &end

#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3 = 200.,  &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=13,22,16,17, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=26,31,29,30, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=24,36,27,28, &end
#
#  chirality for residue 5 atoms:  CA CG1 CG2 HB
 &rst iat=40,44,48,43, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=38,52,41,42, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=56,60,64,59, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=54,66,57,58, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=68,80,71,72, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=84,89,87,88, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=86,92,90,91, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=92,98,96,97, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=89,95,93,94, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=82,102,85,86, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=106,110,114,109, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=104,116,107,108, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=118,128,121,122, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=140,134,138,139, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=137,131,135,136, &end
#
#  chirality for residue 11 atoms:  CG N HD2 HD3
 &rst iat=134,130,132,133, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=130,142,141,137, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=148,154,152,153, &end
#
#  chirality for residue 12 atoms:  CG NE HD2 HD3
 &rst iat=151,157,155,156, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=144,166,147,148, &end
#
#  chirality for residue 13 atoms:  CA OG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=168,177,171,172, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=181,186,184,185, &end
#
#  chirality for residue 14 atoms:  CB SD HG2 HG3
 &rst iat=183,189,187,188, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=179,194,182,183, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=196,208,199,200, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=212,217,215,216, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=210,219,213,214, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=223,228,226,227, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=225,231,229,230, &end
#
#  chirality for residue 17 atoms:  CG NE HD2 HD3
 &rst iat=228,234,232,233, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=221,243,224,225, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=247,251,255,250, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=245,259,248,249, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=261,279,264,265, &end
#
#  chirality for residue 20 atoms:  CA CG2 CG1 HB
 &rst iat=283,287,291,286, &end
#
#  chirality for residue 20 atoms:  CB CD1 HG12 HG13
 &rst iat=285,294,292,293, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=281,298,284,285, &end
#
#  chirality for residue 21 atoms:  N C HA2 HA3
 &rst iat=300,305,303,304, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=309,314,312,313, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=307,319,310,311, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=323,328,326,327, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=325,330,334,329, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=321,338,324,325, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=342,347,345,346, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=340,352,343,344, &end
#
#  chirality for residue 25 atoms:  CA CG2 OG1 HB
 &rst iat=356,360,364,359, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=354,366,357,358, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=370,375,373,374, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=372,377,381,376, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=368,385,371,372, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=389,393,397,392, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=387,401,390,391, &end
#
#  chirality for residue 28 atoms:  CA CG1 CG2 HB
 &rst iat=405,409,413,408, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=403,417,406,407, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=421,426,424,425, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=423,429,427,428, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=429,435,433,434, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=426,432,430,431, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=419,439,422,423, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=443,448,446,447, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=451,457,455,456, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=448,454,452,453, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=441,461,444,445, &end
#
#  chirality for residue 31 atoms:  CA OG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=463,472,466,467, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=476,481,479,480, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=474,484,477,478, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=488,492,496,491, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=486,500,489,490, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=504,509,507,508, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=506,512,510,511, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=502,515,505,506, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=517,525,520,521, &end
#
#  chirality for residue 36 atoms:  CA CG2 CG1 HB
 &rst iat=529,533,537,532, &end
#
#  chirality for residue 36 atoms:  CB CD1 HG12 HG13
 &rst iat=531,540,538,539, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=527,544,530,531, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=546,564,549,550, &end
#
#  chirality for residue 38 atoms:  CA OG HB2 HB3
 &rst iat=568,573,571,572, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=566,575,569,570, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=579,584,582,583, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=581,587,585,586, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=587,593,591,592, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=584,590,588,589, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=577,597,580,581, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=599,618,602,603, &end
#
#  chirality for residue 41 atoms:  N C HA2 HA3
 &rst iat=620,625,623,624, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=629,634,632,633, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=631,637,635,636, &end
#
#  chirality for residue 42 atoms:  CD NZ HE2 HE3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 42 atoms:  CG CE HD2 HD3
 &rst iat=634,640,638,639, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=627,647,630,631, &end
#
#  chirality for residue 43 atoms:  CA CG2 CG1 HB
 &rst iat=651,655,659,654, &end
#
#  chirality for residue 43 atoms:  CB CD1 HG12 HG13
 &rst iat=653,662,660,661, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=649,666,652,653, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=670,674,678,673, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=668,682,671,672, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=684,689,687,688, &end
#
#  chirality for residue 46 atoms:  CA SG HB2 HB3
 &rst iat=693,698,696,697, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=691,700,694,695, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=704,709,707,708, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=702,711,705,706, &end
#
#  chirality for residue 48 atoms:  CA CG1 CG2 HB
 &rst iat=715,719,723,718, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=713,727,716,717, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=731,736,734,735, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=729,744,732,733, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=748,753,751,752, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=750,756,754,755, &end
#
#  chirality for residue 50 atoms:  CD NZ HE2 HE3
 &rst iat=756,762,760,761, &end
#
#  chirality for residue 50 atoms:  CG CE HD2 HD3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=746,766,749,750, &end
#
#  chirality for residue 51 atoms:  N C HA2 HA3
 &rst iat=768,773,771,772, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=777,782,780,781, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=775,793,778,779, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=795,803,798,799, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=807,812,810,811, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=805,823,808,809, &end
#
#  chirality for residue 55 atoms:  CA CG1 CG2 HB
 &rst iat=827,831,835,830, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=825,839,828,829, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=843,848,846,847, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=845,851,849,850, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=841,856,844,845, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=860,865,863,864, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=858,877,861,862, &end
#
#  chirality for residue 58 atoms:  CA CG1 CG2 HB
 &rst iat=881,885,889,884, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=879,893,882,883, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=897,902,900,901, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=895,907,898,899, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=911,916,914,915, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=913,919,917,918, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=909,922,912,913, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=926,931,929,930, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=928,934,932,933, &end
#
#  chirality for residue 61 atoms:  CG NE HD2 HD3
 &rst iat=931,937,935,936, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=924,946,927,928, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=950,955,953,954, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=948,960,951,952, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=962,970,965,966, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=974,979,977,978, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=976,982,980,981, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=979,985,983,984, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=972,994,975,976, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=996,1004,999,1000, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1006,1014,1009,1010, &end
#
#  chirality for residue 67 atoms:  CA CG1 CG2 HB
 &rst iat=1018,1022,1026,1021, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1016,1030,1019,1020, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1032,1040,1035,1036, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1042,1047,1045,1046, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1051,1056,1054,1055, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1053,1059,1057,1058, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1049,1062,1052,1053, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1066,1071,1069,1070, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1064,1074,1067,1068, &end
#
#  chirality for residue 72 atoms:  N C HA2 HA3
 &rst iat=1076,1081,1079,1080, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1085,1090,1088,1089, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1087,1093,1091,1092, &end
#
#  chirality for residue 73 atoms:  CG NE HD2 HD3
 &rst iat=1090,1096,1094,1095, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1083,1105,1086,1087, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1109,1114,1112,1113, &end
#
#  chirality for residue 74 atoms:  CB SD HG2 HG3
 &rst iat=1111,1117,1115,1116, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1107,1122,1110,1111, &end
#
#  chirality for residue 75 atoms:  CA CG2 CG1 HB
 &rst iat=1126,1130,1134,1129, &end
#
#  chirality for residue 75 atoms:  CB CD1 HG12 HG13
 &rst iat=1128,1137,1135,1136, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1124,1141,1127,1128, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1143,1151,1146,1147, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1153,1158,1156,1157, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1162,1167,1165,1166, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1164,1170,1168,1169, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1160,1175,1163,1164, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1179,1183,1187,1182, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1177,1191,1180,1181, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1197,1202,1206,1201, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1193,1210,1196,1197, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1212,1222,1215,1216, &end
#
#  chirality for residue 82 atoms:  CA CG2 CG1 HB
 &rst iat=1226,1230,1234,1229, &end
#
#  chirality for residue 82 atoms:  CB CD1 HG12 HG13
 &rst iat=1228,1237,1235,1236, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1224,1241,1227,1228, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1243,1255,1246,1247, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1259,1264,1262,1263, &end
#
#  chirality for residue 84 atoms:  CB CD1 CD2 HG
 &rst iat=1261,1266,1270,1265, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1257,1274,1260,1261, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1276,1284,1279,1280, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1286,1294,1289,1290, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1298,1303,1301,1302, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1300,1306,1304,1305, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1296,1309,1299,1300, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1321,1315,1319,1320, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1318,1312,1316,1317, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1315,1311,1313,1314, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1311,1323,1322,1318, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1327,1332,1330,1331, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1329,1335,1333,1334, &end
#
#  chirality for residue 89 atoms:  CD NZ HE2 HE3
 &rst iat=1335,1341,1339,1340, &end
#
#  chirality for residue 89 atoms:  CG CE HD2 HD3
 &rst iat=1332,1338,1336,1337, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1325,1345,1328,1329, &end
#
#  chirality for residue 90 atoms:  CA CG1 CG2 HB
 &rst iat=1349,1353,1357,1352, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1347,1361,1350,1351, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1365,1370,1368,1369, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1363,1375,1366,1367, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1379,1384,1382,1383, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1381,1387,1385,1386, &end
#
#  chirality for residue 92 atoms:  CG NE HD2 HD3
 &rst iat=1384,1390,1388,1389, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1377,1399,1380,1381, &end
#
#  chirality for residue 93 atoms:  N C HA2 HA3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1410,1415,1413,1414, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1412,1418,1416,1417, &end
#
#  chirality for residue 94 atoms:  CD NZ HE2 HE3
 &rst iat=1418,1424,1422,1423, &end
#
#  chirality for residue 94 atoms:  CG CE HD2 HD3
 &rst iat=1415,1421,1419,1420, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1408,1428,1411,1412, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1430,1438,1433,1434, &end
#
#  chirality for residue 96 atoms:  N C HA2 HA3
 &rst iat=1440,1445,1443,1444, &end
#
#  chirality for residue 97 atoms:  CA CG1 CG2 HB
 &rst iat=1449,1453,1457,1452, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1447,1461,1450,1451, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1467,1473,1471,1472, &end
#
#  chirality for residue 98 atoms:  CD NZ HE2 HE3
 &rst iat=1473,1479,1477,1478, &end
#
#  chirality for residue 98 atoms:  CG CE HD2 HD3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1463,1483,1466,1467, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1487,1492,1490,1491, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1489,1495,1493,1494, &end
#
#  chirality for residue 99 atoms:  CG NE HD2 HD3
 &rst iat=1492,1498,1496,1497, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1485,1507,1488,1489, &end
#
#  chirality for residue 100 atoms:  CA OG HB2 HB3
 &rst iat=1511,1516,1514,1515, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1509,1518,1512,1513, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1520,1528,1523,1524, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1530,1538,1533,1534, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1544,1550,1548,1549, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1540,1553,1543,1544, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1557,1562,1560,1561, &end
#
#  chirality for residue 104 atoms:  CB SD HG2 HG3
 &rst iat=1559,1565,1563,1564, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1555,1570,1558,1559, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1574,1579,1577,1578, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1572,1591,1575,1576, &end
#
#  chirality for residue 106 atoms:  N C HA2 HA3
 &rst iat=1593,1598,1596,1597, &end
#
#  chirality for residue 107 atoms:  C2' O4' N9 H1'
 &rst iat=1627,1608,1611,1610, &end
#
#  chirality for residue 107 atoms:  C3' C1' H2'1 O2'
 &rst iat=1625,1609,1628,1629, &end
#
#  chirality for residue 107 atoms:  O3' C2' C4' H3'
 &rst iat=1631,1627,1606,1626, &end
#
#  chirality for residue 107 atoms:  C3' C5' O4' H4'
 &rst iat=1625,1603,1608,1607, &end
#
#  chirality for residue 107 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1606,1602,1604,1605, &end
#
#  chirality for residue 108 atoms:  C2' O4' N1 H1'
 &rst iat=1657,1641,1644,1643, &end
#
#  chirality for residue 108 atoms:  C3' C1' H2'1 O2'
 &rst iat=1655,1642,1658,1659, &end
#
#  chirality for residue 108 atoms:  O3' C2' C4' H3'
 &rst iat=1661,1657,1639,1656, &end
#
#  chirality for residue 108 atoms:  C3' C5' O4' H4'
 &rst iat=1655,1636,1641,1640, &end
#
#  chirality for residue 108 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1639,1635,1637,1638, &end
#
#  chirality for residue 109 atoms:  C2' O4' N1 H1'
 &rst iat=1687,1671,1674,1673, &end
#
#  chirality for residue 109 atoms:  C3' C1' H2'1 O2'
 &rst iat=1685,1672,1688,1689, &end
#
#  chirality for residue 109 atoms:  O3' C2' C4' H3'
 &rst iat=1691,1687,1669,1686, &end
#
#  chirality for residue 109 atoms:  C3' C5' O4' H4'
 &rst iat=1685,1666,1671,1670, &end
#
#  chirality for residue 109 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1669,1665,1667,1668, &end
#
#  chirality for residue 110 atoms:  C2' O4' N1 H1'
 &rst iat=1717,1701,1704,1703, &end
#
#  chirality for residue 110 atoms:  C3' C1' H2'1 O2'
 &rst iat=1715,1702,1718,1719, &end
#
#  chirality for residue 110 atoms:  O3' C2' C4' H3'
 &rst iat=1721,1717,1699,1716, &end
#
#  chirality for residue 110 atoms:  C3' C5' O4' H4'
 &rst iat=1715,1696,1701,1700, &end
#
#  chirality for residue 110 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1699,1695,1697,1698, &end
#
#  chirality for residue 111 atoms:  C2' O4' N1 H1'
 &rst iat=1747,1731,1734,1733, &end
#
#  chirality for residue 111 atoms:  C3' C1' H2'1 O2'
 &rst iat=1745,1732,1748,1749, &end
#
#  chirality for residue 111 atoms:  O3' C2' C4' H3'
 &rst iat=1751,1747,1729,1746, &end
#
#  chirality for residue 111 atoms:  C3' C5' O4' H4'
 &rst iat=1745,1726,1731,1730, &end
#
#  chirality for residue 111 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1729,1725,1727,1728, &end
#
#  chirality for residue 112 atoms:  C2' O4' N1 H1'
 &rst iat=1777,1761,1764,1763, &end
#
#  chirality for residue 112 atoms:  C3' C1' H2'1 O2'
 &rst iat=1775,1762,1778,1779, &end
#
#  chirality for residue 112 atoms:  O3' C2' C4' H3'
 &rst iat=1781,1777,1759,1776, &end
#
#  chirality for residue 112 atoms:  C3' C5' O4' H4'
 &rst iat=1775,1756,1761,1760, &end
#
#  chirality for residue 112 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1759,1755,1757,1758, &end
#
#  chirality for residue 113 atoms:  C2' O4' N1 H1'
 &rst iat=1808,1791,1794,1793, &end
#
#  chirality for residue 113 atoms:  C3' C1' H2'1 O2'
 &rst iat=1806,1792,1809,1810, &end
#
#  chirality for residue 113 atoms:  O3' C2' C4' H3'
 &rst iat=1812,1808,1789,1807, &end
#
#  chirality for residue 113 atoms:  C3' C5' O4' H4'
 &rst iat=1806,1786,1791,1790, &end
#
#  chirality for residue 113 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1789,1785,1787,1788, &end
#
#  trans-omega constraint for residue 3
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 4
 &rst iat=26,24,22,15, &end
#
#  trans-omega constraint for residue 5
 &rst iat=40,38,36,26, &end
#
#  trans-omega constraint for residue 6
 &rst iat=56,54,52,40, &end
#
#  trans-omega constraint for residue 7
 &rst iat=70,68,66,56, &end
#
#  trans-omega constraint for residue 8
 &rst iat=84,82,80,70, &end
#
#  trans-omega constraint for residue 9
 &rst iat=106,104,102,84, &end
#
#  trans-omega constraint for residue 10
 &rst iat=120,118,116,106, &end
#
#  trans-omega constraint for residue 11
 &rst iat=140,130,128,120, &end
#
#  trans-omega constraint for residue 12
 &rst iat=146,144,142,140, &end
#
#  trans-omega constraint for residue 13
 &rst iat=170,168,166,146, &end
#
#  trans-omega constraint for residue 14
 &rst iat=181,179,177,170, &end
#
#  trans-omega constraint for residue 15
 &rst iat=198,196,194,181, &end
#
#  trans-omega constraint for residue 16
 &rst iat=212,210,208,198, &end
#
#  trans-omega constraint for residue 17
 &rst iat=223,221,219,212, &end
#
#  trans-omega constraint for residue 18
 &rst iat=247,245,243,223, &end
#
#  trans-omega constraint for residue 19
 &rst iat=263,261,259,247, &end
#
#  trans-omega constraint for residue 20
 &rst iat=283,281,279,263, &end
#
#  trans-omega constraint for residue 21
 &rst iat=302,300,298,283, &end
#
#  trans-omega constraint for residue 22
 &rst iat=309,307,305,302, &end
#
#  trans-omega constraint for residue 23
 &rst iat=323,321,319,309, &end
#
#  trans-omega constraint for residue 24
 &rst iat=342,340,338,323, &end
#
#  trans-omega constraint for residue 25
 &rst iat=356,354,352,342, &end
#
#  trans-omega constraint for residue 26
 &rst iat=370,368,366,356, &end
#
#  trans-omega constraint for residue 27
 &rst iat=389,387,385,370, &end
#
#  trans-omega constraint for residue 28
 &rst iat=405,403,401,389, &end
#
#  trans-omega constraint for residue 29
 &rst iat=421,419,417,405, &end
#
#  trans-omega constraint for residue 30
 &rst iat=443,441,439,421, &end
#
#  trans-omega constraint for residue 31
 &rst iat=465,463,461,443, &end
#
#  trans-omega constraint for residue 32
 &rst iat=476,474,472,465, &end
#
#  trans-omega constraint for residue 33
 &rst iat=488,486,484,476, &end
#
#  trans-omega constraint for residue 34
 &rst iat=504,502,500,488, &end
#
#  trans-omega constraint for residue 35
 &rst iat=519,517,515,504, &end
#
#  trans-omega constraint for residue 36
 &rst iat=529,527,525,519, &end
#
#  trans-omega constraint for residue 37
 &rst iat=548,546,544,529, &end
#
#  trans-omega constraint for residue 38
 &rst iat=568,566,564,548, &end
#
#  trans-omega constraint for residue 39
 &rst iat=579,577,575,568, &end
#
#  trans-omega constraint for residue 40
 &rst iat=601,599,597,579, &end
#
#  trans-omega constraint for residue 41
 &rst iat=622,620,618,601, &end
#
#  trans-omega constraint for residue 42
 &rst iat=629,627,625,622, &end
#
#  trans-omega constraint for residue 43
 &rst iat=651,649,647,629, &end
#
#  trans-omega constraint for residue 44
 &rst iat=670,668,666,651, &end
#
#  trans-omega constraint for residue 45
 &rst iat=686,684,682,670, &end
#
#  trans-omega constraint for residue 46
 &rst iat=693,691,689,686, &end
#
#  trans-omega constraint for residue 47
 &rst iat=704,702,700,693, &end
#
#  trans-omega constraint for residue 48
 &rst iat=715,713,711,704, &end
#
#  trans-omega constraint for residue 49
 &rst iat=731,729,727,715, &end
#
#  trans-omega constraint for residue 50
 &rst iat=748,746,744,731, &end
#
#  trans-omega constraint for residue 51
 &rst iat=770,768,766,748, &end
#
#  trans-omega constraint for residue 52
 &rst iat=777,775,773,770, &end
#
#  trans-omega constraint for residue 53
 &rst iat=797,795,793,777, &end
#
#  trans-omega constraint for residue 54
 &rst iat=807,805,803,797, &end
#
#  trans-omega constraint for residue 55
 &rst iat=827,825,823,807, &end
#
#  trans-omega constraint for residue 56
 &rst iat=843,841,839,827, &end
#
#  trans-omega constraint for residue 57
 &rst iat=860,858,856,843, &end
#
#  trans-omega constraint for residue 58
 &rst iat=881,879,877,860, &end
#
#  trans-omega constraint for residue 59
 &rst iat=897,895,893,881, &end
#
#  trans-omega constraint for residue 60
 &rst iat=911,909,907,897, &end
#
#  trans-omega constraint for residue 61
 &rst iat=926,924,922,911, &end
#
#  trans-omega constraint for residue 62
 &rst iat=950,948,946,926, &end
#
#  trans-omega constraint for residue 63
 &rst iat=964,962,960,950, &end
#
#  trans-omega constraint for residue 64
 &rst iat=974,972,970,964, &end
#
#  trans-omega constraint for residue 65
 &rst iat=998,996,994,974, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1008,1006,1004,998, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1018,1016,1014,1008, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1034,1032,1030,1018, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1044,1042,1040,1034, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1051,1049,1047,1044, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1066,1064,1062,1051, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1078,1076,1074,1066, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1085,1083,1081,1078, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1109,1107,1105,1085, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1126,1124,1122,1109, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1145,1143,1141,1126, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1155,1153,1151,1145, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1162,1160,1158,1155, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1179,1177,1175,1162, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1195,1193,1191,1179, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1214,1212,1210,1195, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1226,1224,1222,1214, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1245,1243,1241,1226, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1259,1257,1255,1245, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1278,1276,1274,1259, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1288,1286,1284,1278, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1298,1296,1294,1288, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1321,1311,1309,1298, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1327,1325,1323,1321, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1349,1347,1345,1327, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1365,1363,1361,1349, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1379,1377,1375,1365, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1403,1401,1399,1379, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1410,1408,1406,1403, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1432,1430,1428,1410, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1442,1440,1438,1432, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1449,1447,1445,1442, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1465,1463,1461,1449, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1487,1485,1483,1465, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1511,1509,1507,1487, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1522,1520,1518,1511, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1532,1530,1528,1522, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1542,1540,1538,1532, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1557,1555,1553,1542, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1574,1572,1570,1557, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1595,1593,1591,1574, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   2           H        ALA   2   1.909  11.094  -6.893
    2    H2   ALA   2           H2       ALA   2   1.154   9.744  -6.306
    3    HA   ALA   2           HA       ALA   2   0.160  12.498  -6.114
    4    HB1  ALA   2           HB1      ALA   2  -0.996   9.932  -4.951
    5    HB2  ALA   2           HB2      ALA   2  -1.639  11.573  -4.721
    6    HB3  ALA   2           HB3      ALA   2  -1.664  10.831  -6.330
    7    H    SER   3           H        SER   3  -0.110  13.144  -3.775
    8    HA   SER   3           HA       SER   3   2.432  13.057  -2.495
    9    HB2  SER   3           HB2      SER   3  -0.268  13.939  -1.404
   10    HB3  SER   3           HB3      SER   3   1.329  14.383  -0.762
   11    HG   SER   3           HG       SER   3   1.769  15.397  -2.750
   12    H    ASN   4           H        ASN   4   2.397  12.694   0.036
   13    HA   ASN   4           HA       ASN   4   1.618   9.855   0.399
   14    HB2  ASN   4           HB2      ASN   4   3.532   9.723   1.937
   15    HB3  ASN   4           HB3      ASN   4   4.015  10.238   0.318
   16   HD21  ASN   4          HD21      ASN   4   3.440  11.342   3.670
   17   HD22  ASN   4          HD22      ASN   4   4.392  12.802   3.534
   18    H    VAL   5           H        VAL   5  -0.184  12.210   0.997
   19    HA   VAL   5           HA       VAL   5  -0.313  11.952   3.965
   20    HB   VAL   5           HB       VAL   5  -0.941  14.379   2.246
   21   HG11  VAL   5          HG11      VAL   5  -0.849  13.991   5.268
   22   HG12  VAL   5          HG12      VAL   5  -1.155  15.524   4.418
   23   HG13  VAL   5          HG13      VAL   5  -2.328  14.197   4.294
   24   HG21  VAL   5          HG21      VAL   5   1.457  13.966   2.334
   25   HG22  VAL   5          HG22      VAL   5   1.065  15.332   3.394
   26   HG23  VAL   5          HG23      VAL   5   1.391  13.724   4.096
   27    H    THR   6           H        THR   6  -2.145  11.278   4.802
   28    HA   THR   6           HA       THR   6  -4.660  11.527   3.309
   29    HB   THR   6           HB       THR   6  -5.148   9.125   3.404
   30    HG1  THR   6           HG1      THR   6  -3.810   8.581   5.168
   31   HG21  THR   6          HG21      THR   6  -3.950  10.003   1.372
   32   HG22  THR   6          HG22      THR   6  -2.411   9.495   2.129
   33   HG23  THR   6          HG23      THR   6  -3.638   8.290   1.720
   34    H    ASN   7           H        ASN   7  -3.348  12.275   6.121
   35    HA   ASN   7           HA       ASN   7  -5.478  10.963   7.728
   36    HB2  ASN   7           HB2      ASN   7  -4.085  10.897   9.615
   37    HB3  ASN   7           HB3      ASN   7  -3.165  10.252   8.261
   38   HD21  ASN   7          HD21      ASN   7  -1.478  10.750  10.030
   39   HD22  ASN   7          HD22      ASN   7  -0.719  12.329   9.950
   40    H    LYS   8           H        LYS   8  -5.531  13.700   6.273
   41    HA   LYS   8           HA       LYS   8  -5.775  15.689   8.331
   42    HB2  LYS   8           HB2      LYS   8  -6.811  15.360   5.512
   43    HB3  LYS   8           HB3      LYS   8  -7.439  16.651   6.528
   44    HG2  LYS   8           HG2      LYS   8  -5.642  17.448   5.106
   45    HG3  LYS   8           HG3      LYS   8  -5.220  17.613   6.809
   46    HD2  LYS   8           HD2      LYS   8  -4.333  15.191   5.229
   47    HD3  LYS   8           HD3      LYS   8  -3.460  16.722   5.079
   48    HE2  LYS   8           HE2      LYS   8  -3.933  15.288   7.725
   49    HE3  LYS   8           HE3      LYS   8  -2.451  15.192   6.769
   50    HZ1  LYS   8           HZ1      LYS   8  -2.284  16.839   8.482
   51    HZ2  LYS   8           HZ2      LYS   8  -2.197  17.560   7.012
   52    HZ3  LYS   8           HZ3      LYS   8  -3.578  17.670   7.888
   53    H    THR   9           H        THR   9  -7.944  16.739   8.884
   54    HA   THR   9           HA       THR   9 -10.022  14.653   9.299
   55    HB   THR   9           HB       THR   9 -10.335  15.466  11.620
   56    HG1  THR   9           HG1      THR   9  -8.623  16.701  12.499
   57   HG21  THR   9          HG21      THR   9  -8.416  14.283  12.561
   58   HG22  THR   9          HG22      THR   9  -8.981  13.441  11.109
   59   HG23  THR   9          HG23      THR   9  -7.520  14.449  11.034
   60    H    ASP  10           H        ASP  10  -9.706  17.085   7.479
   61    HA   ASP  10           HA       ASP  10 -11.560  19.058   8.383
   62    HB2  ASP  10           HB2      ASP  10 -10.622  18.277   5.604
   63    HB3  ASP  10           HB3      ASP  10 -11.551  19.731   5.976
   64    HA   PRO  11           HA       PRO  11 -15.439  17.204   7.854
   65    HB2  PRO  11           HB2      PRO  11 -17.019  19.247   6.919
   66    HB3  PRO  11           HB3      PRO  11 -16.347  19.181   8.586
   67    HG2  PRO  11           HG2      PRO  11 -15.229  20.635   6.169
   68    HG3  PRO  11           HG3      PRO  11 -15.514  21.287   7.824
   69    HD2  PRO  11           HD2      PRO  11 -13.069  20.423   7.067
   70    HD3  PRO  11           HD3      PRO  11 -13.688  20.052   8.707
   71    H    ARG  12           H        ARG  12 -13.726  18.181   5.059
   72    HA   ARG  12           HA       ARG  12 -15.638  16.603   3.401
   73    HB2  ARG  12           HB2      ARG  12 -15.160  17.990   1.485
   74    HB3  ARG  12           HB3      ARG  12 -15.743  18.971   2.832
   75    HG2  ARG  12           HG2      ARG  12 -14.012  20.253   1.982
   76    HG3  ARG  12           HG3      ARG  12 -13.221  19.423   3.334
   77    HD2  ARG  12           HD2      ARG  12 -12.250  17.783   1.740
   78    HD3  ARG  12           HD3      ARG  12 -13.122  18.573   0.408
   79    HE   ARG  12           HE       ARG  12 -11.432  20.409   1.891
   80   HH11  ARG  12          HH11      ARG  12 -11.452  17.978  -0.676
   81   HH12  ARG  12          HH12      ARG  12 -10.030  18.620  -1.458
   82   HH21  ARG  12          HH21      ARG  12  -9.575  21.223   0.862
   83   HH22  ARG  12          HH22      ARG  12  -8.968  20.459  -0.590
   84    H    SER  13           H        SER  13 -12.546  16.751   4.742
   85    HA   SER  13           HA       SER  13 -11.340  15.096   2.607
   86    HB2  SER  13           HB2      SER  13 -10.149  16.203   5.169
   87    HB3  SER  13           HB3      SER  13  -9.271  15.330   3.894
   88    HG   SER  13           HG       SER  13  -9.129  17.599   3.635
   89    H    MET  14           H        MET  14 -12.960  14.826   5.662
   90    HA   MET  14           HA       MET  14 -11.980  12.170   6.337
   91    HB2  MET  14           HB2      MET  14 -14.219  13.995   7.243
   92    HB3  MET  14           HB3      MET  14 -14.156  12.315   7.809
   93    HG2  MET  14           HG2      MET  14 -11.586  13.786   7.963
   94    HG3  MET  14           HG3      MET  14 -12.870  14.407   8.999
   95    HE1  MET  14           HE1      MET  14 -11.587   9.947   9.250
   96    HE2  MET  14           HE2      MET  14 -12.771  10.551   8.078
   97    HE3  MET  14           HE3      MET  14 -11.062  11.028   7.937
   98    H    ASN  15           H        ASN  15 -14.171  13.406   3.985
   99    HA   ASN  15           HA       ASN  15 -15.289  10.680   3.647
  100    HB2  ASN  15           HB2      ASN  15 -17.315  11.935   2.646
  101    HB3  ASN  15           HB3      ASN  15 -17.136  11.828   4.403
  102   HD21  ASN  15          HD21      ASN  15 -16.592  13.660   5.625
  103   HD22  ASN  15          HD22      ASN  15 -16.718  15.275   4.958
  104    H    SER  16           H        SER  16 -13.172  12.845   2.322
  105    HA   SER  16           HA       SER  16 -13.726  11.872  -0.429
  106    HB2  SER  16           HB2      SER  16 -12.172  13.531  -1.191
  107    HB3  SER  16           HB3      SER  16 -13.304  14.327  -0.065
  108    HG   SER  16           HG       SER  16 -11.082  14.835   0.299
  109    H    ARG  17           H        ARG  17 -12.608  10.488   2.104
  110    HA   ARG  17           HA       ARG  17  -9.987   9.544   1.026
  111    HB2  ARG  17           HB2      ARG  17  -9.970  10.790   3.129
  112    HB3  ARG  17           HB3      ARG  17 -11.094   9.632   3.850
  113    HG2  ARG  17           HG2      ARG  17  -9.425   7.814   3.604
  114    HG3  ARG  17           HG3      ARG  17  -8.307   8.952   2.803
  115    HD2  ARG  17           HD2      ARG  17  -9.381   9.153   5.642
  116    HD3  ARG  17           HD3      ARG  17  -7.714   8.761   5.165
  117    HE   ARG  17           HE       ARG  17  -8.017  11.125   3.934
  118   HH11  ARG  17          HH11      ARG  17  -8.809  10.208   7.270
  119   HH12  ARG  17          HH12      ARG  17  -8.663  11.858   7.841
  120   HH21  ARG  17          HH21      ARG  17  -7.881  13.194   4.701
  121   HH22  ARG  17          HH22      ARG  17  -8.139  13.530   6.413
  122    H    VAL  18           H        VAL  18  -9.483   7.317   1.266
  123    HA   VAL  18           HA       VAL  18 -11.850   5.508   1.488
  124    HB   VAL  18           HB       VAL  18  -9.439   5.193  -0.337
  125   HG11  VAL  18          HG11      VAL  18 -10.831   3.412  -1.360
  126   HG12  VAL  18          HG12      VAL  18 -10.455   3.074   0.345
  127   HG13  VAL  18          HG13      VAL  18 -12.067   3.674  -0.109
  128   HG21  VAL  18          HG21      VAL  18 -12.281   6.053  -1.021
  129   HG22  VAL  18          HG22      VAL  18 -10.825   7.066  -1.150
  130   HG23  VAL  18          HG23      VAL  18 -11.001   5.646  -2.192
  131    H    PHE  19           H        PHE  19 -11.649   4.021   3.052
  132    HA   PHE  19           HA       PHE  19  -8.977   3.423   4.187
  133    HB2  PHE  19           HB2      PHE  19 -10.767   3.935   5.748
  134    HB3  PHE  19           HB3      PHE  19 -11.812   2.721   5.009
  135    HD1  PHE  19           HD1      PHE  19  -8.194   2.544   6.063
  136    HD2  PHE  19           HD2      PHE  19 -12.201   1.077   6.590
  137    HE1  PHE  19           HE1      PHE  19  -7.364   0.835   7.654
  138    HE2  PHE  19           HE2      PHE  19 -11.368  -0.623   8.189
  139    HZ   PHE  19           HZ       PHE  19  -8.945  -0.763   8.710
  140    H    ILE  20           H        ILE  20  -7.985   1.440   3.843
  141    HA   ILE  20           HA       ILE  20  -9.482  -0.562   2.212
  142    HB   ILE  20           HB       ILE  20  -6.602   0.337   1.794
  143   HG12  ILE  20          HG12      ILE  20  -8.980   0.798  -0.047
  144   HG13  ILE  20          HG13      ILE  20  -8.370   2.015   1.078
  145   HG21  ILE  20          HG21      ILE  20  -8.389  -1.559   0.194
  146   HG22  ILE  20          HG22      ILE  20  -6.702  -1.145  -0.182
  147   HG23  ILE  20          HG23      ILE  20  -7.083  -2.072   1.282
  148   HD11  ILE  20          HD11      ILE  20  -6.748   0.728  -1.155
  149   HD12  ILE  20          HD12      ILE  20  -7.422   2.371  -1.154
  150   HD13  ILE  20          HD13      ILE  20  -6.152   1.940   0.007
  151    H    GLY  21           H        GLY  21  -9.817  -1.890   3.974
  152    HA2  GLY  21           HA2      GLY  21  -7.525  -2.610   5.704
  153    HA3  GLY  21           HA3      GLY  21  -9.230  -2.948   6.011
  154    H    ASN  22           H        ASN  22  -7.558  -4.939   6.490
  155    HA   ASN  22           HA       ASN  22  -6.955  -7.043   6.080
  156    HB2  ASN  22           HB2      ASN  22  -9.494  -7.090   5.944
  157    HB3  ASN  22           HB3      ASN  22  -9.314  -7.191   4.189
  158   HD21  ASN  22          HD21      ASN  22  -8.616  -9.167   3.253
  159   HD22  ASN  22          HD22      ASN  22  -8.436 -10.631   4.192
  160    H    LEU  23           H        LEU  23  -5.783  -4.965   4.344
  161    HA   LEU  23           HA       LEU  23  -5.708  -5.942   1.637
  162    HB2  LEU  23           HB2      LEU  23  -5.629  -3.573   2.257
  163    HB3  LEU  23           HB3      LEU  23  -4.104  -3.826   3.111
  164    HG   LEU  23           HG       LEU  23  -2.997  -4.409   0.978
  165   HD11  LEU  23          HD11      LEU  23  -5.667  -3.662  -0.295
  166   HD12  LEU  23          HD12      LEU  23  -4.159  -4.052  -1.159
  167   HD13  LEU  23          HD13      LEU  23  -4.993  -5.309  -0.229
  168   HD21  LEU  23          HD21      LEU  23  -4.591  -1.812   0.927
  169   HD22  LEU  23          HD22      LEU  23  -3.132  -2.144  -0.030
  170   HD23  LEU  23          HD23      LEU  23  -3.033  -2.077   1.747
  171    H    ASN  24           H        ASN  24  -4.020  -6.793   0.477
  172    HA   ASN  24           HA       ASN  24  -2.146  -8.543   1.791
  173    HB2  ASN  24           HB2      ASN  24  -1.493  -8.916  -0.659
  174    HB3  ASN  24           HB3      ASN  24  -3.191  -9.245  -0.250
  175   HD21  ASN  24          HD21      ASN  24  -1.006  -7.050  -1.951
  176   HD22  ASN  24          HD22      ASN  24  -2.263  -6.201  -2.834
  177    H    THR  25           H        THR  25  -1.359  -6.366   2.963
  178    HA   THR  25           HA       THR  25   0.177  -4.514   1.461
  179    HB   THR  25           HB       THR  25   0.850  -3.679   3.690
  180    HG1  THR  25           HG1      THR  25   1.079  -5.713   4.695
  181   HG21  THR  25          HG21      THR  25  -2.063  -4.598   3.602
  182   HG22  THR  25          HG22      THR  25  -1.423  -3.233   4.537
  183   HG23  THR  25          HG23      THR  25  -1.416  -3.166   2.761
  184    H    LEU  26           H        LEU  26   1.009  -7.693   2.125
  185    HA   LEU  26           HA       LEU  26   3.886  -7.099   2.423
  186    HB2  LEU  26           HB2      LEU  26   4.070  -9.604   2.565
  187    HB3  LEU  26           HB3      LEU  26   3.217  -8.809   3.891
  188    HG   LEU  26           HG       LEU  26   1.585  -9.852   1.581
  189   HD11  LEU  26          HD11      LEU  26   3.129 -11.711   2.119
  190   HD12  LEU  26          HD12      LEU  26   2.731 -11.549   3.844
  191   HD13  LEU  26          HD13      LEU  26   1.486 -12.073   2.689
  192   HD21  LEU  26          HD21      LEU  26  -0.026 -10.272   3.370
  193   HD22  LEU  26          HD22      LEU  26   0.512  -8.592   3.458
  194   HD23  LEU  26          HD23      LEU  26   1.182  -9.779   4.594
  195    H    VAL  27           H        VAL  27   1.738  -7.202  -0.084
  196    HA   VAL  27           HA       VAL  27   3.945  -7.897  -1.967
  197    HB   VAL  27           HB       VAL  27   1.005  -8.609  -2.269
  198   HG11  VAL  27          HG11      VAL  27   3.406  -9.090  -4.084
  199   HG12  VAL  27          HG12      VAL  27   1.789  -9.783  -4.336
  200   HG13  VAL  27          HG13      VAL  27   2.024  -8.026  -4.433
  201   HG21  VAL  27          HG21      VAL  27   3.473 -10.350  -1.872
  202   HG22  VAL  27          HG22      VAL  27   2.143 -10.126  -0.710
  203   HG23  VAL  27          HG23      VAL  27   1.841 -10.954  -2.250
  204    H    VAL  28           H        VAL  28   1.205  -5.833  -1.067
  205    HA   VAL  28           HA       VAL  28   1.337  -4.335  -3.564
  206    HB   VAL  28           HB       VAL  28  -0.646  -4.813  -1.774
  207   HG11  VAL  28          HG11      VAL  28   0.188  -1.946  -1.218
  208   HG12  VAL  28          HG12      VAL  28  -1.171  -2.839  -0.510
  209   HG13  VAL  28          HG13      VAL  28   0.500  -3.295  -0.098
  210   HG21  VAL  28          HG21      VAL  28  -1.932  -3.117  -2.940
  211   HG22  VAL  28          HG22      VAL  28  -0.442  -2.322  -3.506
  212   HG23  VAL  28          HG23      VAL  28  -0.870  -3.955  -4.087
  213    H    LYS  29           H        LYS  29   1.621  -1.905  -3.444
  214    HA   LYS  29           HA       LYS  29   3.302  -0.906  -1.235
  215    HB2  LYS  29           HB2      LYS  29   4.889   0.085  -2.909
  216    HB3  LYS  29           HB3      LYS  29   5.018  -1.663  -2.712
  217    HG2  LYS  29           HG2      LYS  29   3.105  -1.110  -4.823
  218    HG3  LYS  29           HG3      LYS  29   4.534  -0.116  -5.096
  219    HD2  LYS  29           HD2      LYS  29   4.772  -2.257  -6.234
  220    HD3  LYS  29           HD3      LYS  29   5.974  -2.113  -4.933
  221    HE2  LYS  29           HE2      LYS  29   4.582  -3.526  -3.465
  222    HE3  LYS  29           HE3      LYS  29   3.329  -3.611  -4.712
  223    HZ1  LYS  29           HZ1      LYS  29   4.905  -4.716  -6.138
  224    HZ2  LYS  29           HZ2      LYS  29   6.069  -4.650  -4.970
  225    HZ3  LYS  29           HZ3      LYS  29   4.705  -5.544  -4.734
  226    H    LYS  30           H        LYS  30   3.746   1.506  -1.687
  227    HA   LYS  30           HA       LYS  30   1.209   2.812  -1.869
  228    HB2  LYS  30           HB2      LYS  30   3.014   3.795  -0.600
  229    HB3  LYS  30           HB3      LYS  30   4.042   3.909  -2.050
  230    HG2  LYS  30           HG2      LYS  30   2.529   5.489  -3.086
  231    HG3  LYS  30           HG3      LYS  30   1.322   5.251  -1.806
  232    HD2  LYS  30           HD2      LYS  30   2.850   6.226  -0.153
  233    HD3  LYS  30           HD3      LYS  30   4.097   6.458  -1.403
  234    HE2  LYS  30           HE2      LYS  30   1.291   7.623  -1.551
  235    HE3  LYS  30           HE3      LYS  30   2.680   8.509  -0.905
  236    HZ1  LYS  30           HZ1      LYS  30   3.753   8.242  -3.052
  237    HZ2  LYS  30           HZ2      LYS  30   2.434   7.468  -3.653
  238    HZ3  LYS  30           HZ3      LYS  30   2.329   9.043  -3.196
  239    H    SER  31           H        SER  31   3.706   2.115  -4.301
  240    HA   SER  31           HA       SER  31   2.559   3.909  -6.271
  241    HB2  SER  31           HB2      SER  31   4.581   1.649  -6.571
  242    HB3  SER  31           HB3      SER  31   4.239   2.911  -7.768
  243    HG   SER  31           HG       SER  31   6.056   3.409  -6.465
  244    H    ASP  32           H        ASP  32   1.674   0.842  -5.067
  245    HA   ASP  32           HA       ASP  32   0.329   0.062  -7.583
  246    HB2  ASP  32           HB2      ASP  32   0.881  -1.244  -4.909
  247    HB3  ASP  32           HB3      ASP  32  -0.386  -1.867  -5.949
  248    H    VAL  33           H        VAL  33  -0.362   1.136  -4.205
  249    HA   VAL  33           HA       VAL  33  -3.204   0.818  -4.535
  250    HB   VAL  33           HB       VAL  33  -1.577   2.462  -2.555
  251   HG11  VAL  33          HG11      VAL  33  -4.514   1.648  -2.518
  252   HG12  VAL  33          HG12      VAL  33  -3.636   2.431  -1.183
  253   HG13  VAL  33          HG13      VAL  33  -3.888   3.305  -2.707
  254   HG21  VAL  33          HG21      VAL  33  -1.165   0.020  -2.450
  255   HG22  VAL  33          HG22      VAL  33  -2.103   0.558  -1.039
  256   HG23  VAL  33          HG23      VAL  33  -2.913  -0.278  -2.380
  257    H    GLU  34           H        GLU  34  -0.928   3.572  -5.083
  258    HA   GLU  34           HA       GLU  34  -3.155   5.292  -5.804
  259    HB2  GLU  34           HB2      GLU  34  -1.568   6.969  -6.255
  260    HB3  GLU  34           HB3      GLU  34  -0.992   6.105  -4.818
  261    HG2  GLU  34           HG2      GLU  34   0.595   4.831  -6.280
  262    HG3  GLU  34           HG3      GLU  34   0.038   5.774  -7.671
  263    H    ALA  35           H        ALA  35  -2.117   2.613  -7.299
  264    HA   ALA  35           HA       ALA  35  -2.588   3.738 -10.022
  265    HB1  ALA  35           HB1      ALA  35  -0.320   2.826  -9.687
  266    HB2  ALA  35           HB2      ALA  35  -1.025   1.278  -9.168
  267    HB3  ALA  35           HB3      ALA  35  -1.246   1.836 -10.844
  268    H    ILE  36           H        ILE  36  -3.882   1.826  -7.518
  269    HA   ILE  36           HA       ILE  36  -5.574   0.218  -9.373
  270    HB   ILE  36           HB       ILE  36  -4.904   0.030  -6.427
  271   HG12  ILE  36          HG12      ILE  36  -4.501  -2.039  -8.618
  272   HG13  ILE  36          HG13      ILE  36  -3.307  -0.772  -8.322
  273   HG21  ILE  36          HG21      ILE  36  -6.260  -2.070  -6.432
  274   HG22  ILE  36          HG22      ILE  36  -7.253  -0.625  -6.689
  275   HG23  ILE  36          HG23      ILE  36  -6.829  -1.667  -8.069
  276   HD11  ILE  36          HD11      ILE  36  -3.162  -1.474  -5.930
  277   HD12  ILE  36          HD12      ILE  36  -4.240  -2.845  -6.296
  278   HD13  ILE  36          HD13      ILE  36  -2.648  -2.735  -7.073
  279    H    PHE  37           H        PHE  37  -5.583   2.962  -7.203
  280    HA   PHE  37           HA       PHE  37  -8.562   3.032  -7.281
  281    HB2  PHE  37           HB2      PHE  37  -6.518   4.163  -5.350
  282    HB3  PHE  37           HB3      PHE  37  -8.216   4.647  -5.348
  283    HD1  PHE  37           HD2      PHE  37  -6.075   1.562  -5.212
  284    HD2  PHE  37           HD1      PHE  37  -9.740   3.486  -4.046
  285    HE1  PHE  37           HE2      PHE  37  -6.669  -0.409  -3.849
  286    HE2  PHE  37           HE1      PHE  37 -10.340   1.514  -2.676
  287    HZ   PHE  37           HZ       PHE  37  -8.787  -0.445  -2.563
  288    H    SER  38           H        SER  38  -5.839   4.390  -8.802
  289    HA   SER  38           HA       SER  38  -6.896   7.084  -9.056
  290    HB2  SER  38           HB2      SER  38  -4.504   6.572  -9.164
  291    HB3  SER  38           HB3      SER  38  -4.756   5.627 -10.646
  292    HG   SER  38           HG       SER  38  -4.104   7.781 -11.071
  293    H    LYS  39           H        LYS  39  -7.787   4.091 -10.439
  294    HA   LYS  39           HA       LYS  39  -8.692   5.176 -12.995
  295    HB2  LYS  39           HB2      LYS  39  -9.593   2.945 -13.360
  296    HB3  LYS  39           HB3      LYS  39  -7.926   2.831 -12.764
  297    HG2  LYS  39           HG2      LYS  39  -8.734   2.329 -10.500
  298    HG3  LYS  39           HG3      LYS  39 -10.415   2.578 -11.016
  299    HD2  LYS  39           HD2      LYS  39 -10.220   0.701 -12.609
  300    HD3  LYS  39           HD3      LYS  39  -8.552   0.409 -12.063
  301    HE2  LYS  39           HE2      LYS  39  -9.350  -0.005  -9.779
  302    HE3  LYS  39           HE3      LYS  39 -11.012   0.397 -10.262
  303    HZ1  LYS  39           HZ1      LYS  39  -9.447  -1.882 -11.265
  304    HZ2  LYS  39           HZ2      LYS  39 -10.695  -1.945 -10.193
  305    HZ3  LYS  39           HZ3      LYS  39 -10.969  -1.482 -11.746
  306    H    TYR  40           H        TYR  40  -9.825   5.434  -9.842
  307    HA   TYR  40           HA       TYR  40 -12.644   5.729 -10.770
  308    HB2  TYR  40           HB2      TYR  40 -11.450   4.545  -8.289
  309    HB3  TYR  40           HB3      TYR  40 -13.007   5.348  -8.169
  310    HD1  TYR  40           HD2      TYR  40 -14.562   4.715 -10.406
  311    HD2  TYR  40           HD1      TYR  40 -11.680   2.218  -8.418
  312    HE1  TYR  40           HE2      TYR  40 -15.763   2.699 -11.214
  313    HE2  TYR  40           HE1      TYR  40 -12.890   0.193  -9.211
  314    HH   TYR  40           HH       TYR  40 -14.662  -0.616 -10.411
  315    H    GLY  41           H        GLY  41  -9.941   7.511  -9.861
  316    HA2  GLY  41           HA2      GLY  41 -11.347   9.934  -9.797
  317    HA3  GLY  41           HA3      GLY  41 -11.165   9.419  -8.114
  318    H    LYS  42           H        LYS  42 -10.061  11.780  -8.892
  319    HA   LYS  42           HA       LYS  42  -7.237  11.453  -9.551
  320    HB2  LYS  42           HB2      LYS  42  -8.322  13.483 -10.271
  321    HB3  LYS  42           HB3      LYS  42  -8.979  13.776  -8.653
  322    HG2  LYS  42           HG2      LYS  42  -7.072  15.264  -9.090
  323    HG3  LYS  42           HG3      LYS  42  -6.736  14.171  -7.754
  324    HD2  LYS  42           HD2      LYS  42  -5.461  12.683  -9.355
  325    HD3  LYS  42           HD3      LYS  42  -5.696  13.930 -10.603
  326    HE2  LYS  42           HE2      LYS  42  -4.601  15.589  -9.091
  327    HE3  LYS  42           HE3      LYS  42  -4.382  14.314  -7.878
  328    HZ1  LYS  42           HZ1      LYS  42  -2.397  14.641  -9.173
  329    HZ2  LYS  42           HZ2      LYS  42  -3.006  13.136  -9.453
  330    HZ3  LYS  42           HZ3      LYS  42  -3.194  14.321 -10.575
  331    H    ILE  43           H        ILE  43  -5.865  10.594  -8.099
  332    HA   ILE  43           HA       ILE  43  -6.413  10.889  -5.221
  333    HB   ILE  43           HB       ILE  43  -4.204   9.438  -6.727
  334   HG12  ILE  43          HG12      ILE  43  -6.745   8.496  -5.332
  335   HG13  ILE  43          HG13      ILE  43  -6.444   8.479  -7.080
  336   HG21  ILE  43          HG21      ILE  43  -4.973   9.394  -3.777
  337   HG22  ILE  43          HG22      ILE  43  -3.688   8.428  -4.539
  338   HG23  ILE  43          HG23      ILE  43  -3.532  10.186  -4.444
  339   HD11  ILE  43          HD11      ILE  43  -4.584   6.864  -6.739
  340   HD12  ILE  43          HD12      ILE  43  -4.960   6.818  -4.998
  341   HD13  ILE  43          HD13      ILE  43  -6.161   6.254  -6.164
  342    H    VAL  44           H        VAL  44  -5.521  12.389  -3.959
  343    HA   VAL  44           HA       VAL  44  -3.211  13.953  -5.011
  344    HB   VAL  44           HB       VAL  44  -4.120  15.828  -3.612
  345   HG11  VAL  44          HG11      VAL  44  -5.938  14.827  -5.840
  346   HG12  VAL  44          HG12      VAL  44  -5.764  16.506  -5.279
  347   HG13  VAL  44          HG13      VAL  44  -4.399  15.689  -6.072
  348   HG21  VAL  44          HG21      VAL  44  -5.622  14.443  -2.172
  349   HG22  VAL  44          HG22      VAL  44  -6.481  15.777  -2.973
  350   HG23  VAL  44          HG23      VAL  44  -6.648  14.117  -3.590
  351    H    GLY  45           H        GLY  45  -3.884  11.542  -2.987
  352    HA2  GLY  45           HA2      GLY  45  -1.472  11.900  -1.460
  353    HA3  GLY  45           HA3      GLY  45  -2.904  12.169  -0.458
  354    H    CYS  46           H        CYS  46  -0.860   9.884  -0.544
  355    HA   CYS  46           HA       CYS  46  -2.839   7.734  -0.305
  356    HB2  CYS  46           HB2      CYS  46  -2.275   7.703  -2.710
  357    HB3  CYS  46           HB3      CYS  46  -0.552   7.583  -2.317
  358    HG   CYS  46           HG       CYS  46  -1.437   5.258  -3.106
  359    H    SER  47           H        SER  47  -2.129   6.122   1.117
  360    HA   SER  47           HA       SER  47   0.731   5.988   1.787
  361    HB2  SER  47           HB2      SER  47   0.428   6.223   4.158
  362    HB3  SER  47           HB3      SER  47  -0.193   7.687   3.364
  363    HG   SER  47           HG       SER  47  -2.192   7.135   3.895
  364    H    VAL  48           H        VAL  48   1.269   4.042   3.019
  365    HA   VAL  48           HA       VAL  48  -0.845   1.961   2.986
  366    HB   VAL  48           HB       VAL  48   1.888   1.718   1.689
  367   HG11  VAL  48          HG11      VAL  48   1.240  -0.389   2.775
  368   HG12  VAL  48          HG12      VAL  48  -0.376  -0.301   2.031
  369   HG13  VAL  48          HG13      VAL  48   1.062  -0.549   1.017
  370   HG21  VAL  48          HG21      VAL  48   0.344   2.943   0.250
  371   HG22  VAL  48          HG22      VAL  48   0.529   1.298  -0.378
  372   HG23  VAL  48          HG23      VAL  48  -0.934   1.733   0.533
  373    H    HIS  49           H        HIS  49  -0.522   0.302   4.473
  374    HA   HIS  49           HA       HIS  49   1.695   0.621   6.413
  375    HB2  HIS  49           HB2      HIS  49  -1.232   0.473   7.200
  376    HB3  HIS  49           HB3      HIS  49   0.148   0.814   8.249
  377    HD2  HIS  49           HD3      HIS  49  -2.155   2.433   5.626
  378    HE1  HIS  49           HE1      HIS  49   0.172   5.596   7.250
  379    HE2  HIS  49           HE2      HIS  49  -1.759   5.027   5.705
  380    H    LYS  50           H        LYS  50   0.925  -1.295   8.266
  381    HA   LYS  50           HA       LYS  50   0.823  -3.751   6.643
  382    HB2  LYS  50           HB2      LYS  50   1.223  -3.135   9.584
  383    HB3  LYS  50           HB3      LYS  50   0.802  -4.767   9.064
  384    HG2  LYS  50           HG2      LYS  50   3.247  -3.222   8.110
  385    HG3  LYS  50           HG3      LYS  50   3.219  -4.526   9.313
  386    HD2  LYS  50           HD2      LYS  50   2.123  -5.986   7.481
  387    HD3  LYS  50           HD3      LYS  50   2.603  -4.715   6.343
  388    HE2  LYS  50           HE2      LYS  50   4.310  -6.399   6.324
  389    HE3  LYS  50           HE3      LYS  50   4.974  -4.984   7.165
  390    HZ1  LYS  50           HZ1      LYS  50   5.462  -6.999   8.342
  391    HZ2  LYS  50           HZ2      LYS  50   4.441  -6.090   9.249
  392    HZ3  LYS  50           HZ3      LYS  50   3.871  -7.402   8.428
  393    H    GLY  51           H        GLY  51  -0.893  -4.908   6.207
  394    HA2  GLY  51           HA2      GLY  51  -2.963  -5.855   6.330
  395    HA3  GLY  51           HA3      GLY  51  -3.154  -5.173   7.953
  396    H    PHE  52           H        PHE  52  -2.534  -2.404   6.396
  397    HA   PHE  52           HA       PHE  52  -5.072  -2.146   4.954
  398    HB2  PHE  52           HB2      PHE  52  -5.899  -0.306   6.297
  399    HB3  PHE  52           HB3      PHE  52  -5.759  -1.743   7.293
  400    HD1  PHE  52           HD1      PHE  52  -3.996  -1.924   9.026
  401    HD2  PHE  52           HD2      PHE  52  -4.530   1.650   6.692
  402    HE1  PHE  52           HE1      PHE  52  -2.599  -0.666  10.635
  403    HE2  PHE  52           HE2      PHE  52  -3.144   2.907   8.303
  404    HZ   PHE  52           HZ       PHE  52  -2.156   1.750  10.272
  405    H    ALA  53           H        ALA  53  -5.330   0.073   4.045
  406    HA   ALA  53           HA       ALA  53  -2.901   1.724   3.860
  407    HB1  ALA  53           HB1      ALA  53  -4.235   0.432   1.452
  408    HB2  ALA  53           HB2      ALA  53  -2.982   1.694   1.385
  409    HB3  ALA  53           HB3      ALA  53  -2.595   0.096   2.066
  410    H    PHE  54           H        PHE  54  -3.440   3.708   2.473
  411    HA   PHE  54           HA       PHE  54  -6.320   4.441   2.662
  412    HB2  PHE  54           HB2      PHE  54  -4.001   5.694   4.105
  413    HB3  PHE  54           HB3      PHE  54  -5.284   6.737   3.492
  414    HD1  PHE  54           HD2      PHE  54  -7.665   6.316   4.130
  415    HD2  PHE  54           HD1      PHE  54  -4.342   4.506   6.176
  416    HE1  PHE  54           HE2      PHE  54  -9.127   5.835   6.075
  417    HE2  PHE  54           HE1      PHE  54  -5.808   4.014   8.110
  418    HZ   PHE  54           HZ       PHE  54  -8.197   4.683   8.060
  419    H    VAL  55           H        VAL  55  -7.019   6.013   1.300
  420    HA   VAL  55           HA       VAL  55  -5.086   7.185  -0.631
  421    HB   VAL  55           HB       VAL  55  -7.706   5.788  -1.301
  422   HG11  VAL  55          HG11      VAL  55  -5.832   7.434  -3.043
  423   HG12  VAL  55          HG12      VAL  55  -7.173   6.426  -3.644
  424   HG13  VAL  55          HG13      VAL  55  -7.516   7.836  -2.627
  425   HG21  VAL  55          HG21      VAL  55  -4.827   5.279  -2.154
  426   HG22  VAL  55          HG22      VAL  55  -5.772   4.266  -1.038
  427   HG23  VAL  55          HG23      VAL  55  -6.252   4.397  -2.742
  428    H    GLN  56           H        GLN  56  -5.518   9.284  -1.118
  429    HA   GLN  56           HA       GLN  56  -7.920  10.519   0.152
  430    HB2  GLN  56           HB2      GLN  56  -5.751  11.048   1.258
  431    HB3  GLN  56           HB3      GLN  56  -5.136  11.670  -0.288
  432    HG2  GLN  56           HG2      GLN  56  -5.826  13.543   1.042
  433    HG3  GLN  56           HG3      GLN  56  -7.012  13.356  -0.260
  434   HE21  GLN  56          HE21      GLN  56  -9.165  12.769   0.269
  435   HE22  GLN  56          HE22      GLN  56  -9.723  12.671   1.921
  436    H    TYR  57           H        TYR  57  -9.341  10.956  -1.399
  437    HA   TYR  57           HA       TYR  57  -8.455  11.739  -4.100
  438    HB2  TYR  57           HB2      TYR  57 -11.183  11.219  -2.872
  439    HB3  TYR  57           HB3      TYR  57 -10.931  11.786  -4.516
  440    HD1  TYR  57           HD1      TYR  57  -8.776  10.276  -5.625
  441    HD2  TYR  57           HD2      TYR  57 -11.832   9.001  -2.887
  442    HE1  TYR  57           HE1      TYR  57  -8.691   7.991  -6.606
  443    HE2  TYR  57           HE2      TYR  57 -11.742   6.699  -3.866
  444    HH   TYR  57           HH       TYR  57  -9.574   5.880  -6.566
  445    H    VAL  58           H        VAL  58 -10.087  13.534  -5.023
  446    HA   VAL  58           HA       VAL  58  -9.375  15.953  -3.539
  447    HB   VAL  58           HB       VAL  58 -10.735  15.484  -6.217
  448   HG11  VAL  58          HG11      VAL  58  -9.710  18.069  -4.954
  449   HG12  VAL  58          HG12      VAL  58 -10.243  17.889  -6.644
  450   HG13  VAL  58          HG13      VAL  58 -11.407  17.688  -5.325
  451   HG21  VAL  58          HG21      VAL  58  -8.369  14.781  -6.109
  452   HG22  VAL  58          HG22      VAL  58  -8.562  16.226  -7.123
  453   HG23  VAL  58          HG23      VAL  58  -7.928  16.385  -5.469
  454    H    ASN  59           H        ASN  59 -12.210  13.943  -4.085
  455    HA   ASN  59           HA       ASN  59 -13.798  15.659  -2.303
  456    HB2  ASN  59           HB2      ASN  59 -15.657  15.840  -3.918
  457    HB3  ASN  59           HB3      ASN  59 -14.197  16.642  -4.513
  458   HD21  ASN  59          HD21      ASN  59 -13.827  16.288  -6.618
  459   HD22  ASN  59          HD22      ASN  59 -14.252  14.819  -7.497
  460    H    GLU  60           H        GLU  60 -16.108  14.651  -2.129
  461    HA   GLU  60           HA       GLU  60 -15.742  11.974  -1.105
  462    HB2  GLU  60           HB2      GLU  60 -17.209  13.418   0.078
  463    HB3  GLU  60           HB3      GLU  60 -18.062  13.903  -1.398
  464    HG2  GLU  60           HG2      GLU  60 -19.110  11.752  -1.615
  465    HG3  GLU  60           HG3      GLU  60 -18.097  11.057  -0.347
  466    H    ARG  61           H        ARG  61 -17.184  13.320  -4.052
  467    HA   ARG  61           HA       ARG  61 -18.666  11.069  -4.883
  468    HB2  ARG  61           HB2      ARG  61 -19.160  12.905  -6.125
  469    HB3  ARG  61           HB3      ARG  61 -17.552  13.586  -5.965
  470    HG2  ARG  61           HG2      ARG  61 -17.879  13.206  -8.265
  471    HG3  ARG  61           HG3      ARG  61 -16.699  12.025  -7.712
  472    HD2  ARG  61           HD2      ARG  61 -18.507  10.305  -7.569
  473    HD3  ARG  61           HD3      ARG  61 -19.682  11.503  -8.138
  474    HE   ARG  61           HE       ARG  61 -17.639  10.103  -9.723
  475   HH11  ARG  61          HH11      ARG  61 -19.944  12.790  -9.620
  476   HH12  ARG  61          HH12      ARG  61 -20.005  12.941 -11.360
  477   HH21  ARG  61          HH21      ARG  61 -17.735  10.348 -11.982
  478   HH22  ARG  61          HH22      ARG  61 -18.770  11.570 -12.683
  479    H    ASN  62           H        ASN  62 -15.215  11.872  -5.287
  480    HA   ASN  62           HA       ASN  62 -14.590   9.649  -7.001
  481    HB2  ASN  62           HB2      ASN  62 -13.027  11.525  -5.210
  482    HB3  ASN  62           HB3      ASN  62 -12.234  10.172  -6.043
  483   HD21  ASN  62          HD21      ASN  62 -14.842  12.431  -7.159
  484   HD22  ASN  62          HD22      ASN  62 -13.963  12.930  -8.598
  485    H    ALA  63           H        ALA  63 -14.740  10.082  -3.449
  486    HA   ALA  63           HA       ALA  63 -13.459   7.584  -2.834
  487    HB1  ALA  63           HB1      ALA  63 -14.363   7.927  -0.581
  488    HB2  ALA  63           HB2      ALA  63 -13.634   9.429  -1.206
  489    HB3  ALA  63           HB3      ALA  63 -15.405   9.236  -1.175
  490    H    ARG  64           H        ARG  64 -16.926   8.503  -3.240
  491    HA   ARG  64           HA       ARG  64 -17.952   5.922  -2.544
  492    HB2  ARG  64           HB2      ARG  64 -19.098   8.002  -4.464
  493    HB3  ARG  64           HB3      ARG  64 -19.995   6.689  -3.694
  494    HG2  ARG  64           HG2      ARG  64 -18.667   9.004  -2.225
  495    HG3  ARG  64           HG3      ARG  64 -20.390   8.867  -2.598
  496    HD2  ARG  64           HD2      ARG  64 -20.557   6.850  -1.212
  497    HD3  ARG  64           HD3      ARG  64 -18.818   6.937  -0.853
  498    HE   ARG  64           HE       ARG  64 -19.916   9.435  -0.168
  499   HH11  ARG  64          HH11      ARG  64 -20.283   6.073   0.889
  500   HH12  ARG  64          HH12      ARG  64 -20.641   6.534   2.541
  501   HH21  ARG  64          HH21      ARG  64 -20.390   9.975   1.965
  502   HH22  ARG  64          HH22      ARG  64 -20.742   8.726   3.141
  503    H    ALA  65           H        ALA  65 -16.427   7.178  -5.458
  504    HA   ALA  65           HA       ALA  65 -17.492   5.217  -7.263
  505    HB1  ALA  65           HB1      ALA  65 -14.886   6.790  -7.395
  506    HB2  ALA  65           HB2      ALA  65 -15.712   5.994  -8.749
  507    HB3  ALA  65           HB3      ALA  65 -16.471   7.388  -7.945
  508    H    ALA  66           H        ALA  66 -14.514   5.347  -5.223
  509    HA   ALA  66           HA       ALA  66 -13.745   2.690  -6.258
  510    HB1  ALA  66           HB1      ALA  66 -12.382   4.518  -4.264
  511    HB2  ALA  66           HB2      ALA  66 -11.695   3.050  -5.009
  512    HB3  ALA  66           HB3      ALA  66 -12.081   4.464  -6.022
  513    H    VAL  67           H        VAL  67 -15.150   4.128  -3.327
  514    HA   VAL  67           HA       VAL  67 -14.730   1.810  -1.667
  515    HB   VAL  67           HB       VAL  67 -16.540   4.247  -1.489
  516   HG11  VAL  67          HG11      VAL  67 -16.392   1.882   0.413
  517   HG12  VAL  67          HG12      VAL  67 -17.105   3.469   0.808
  518   HG13  VAL  67          HG13      VAL  67 -17.830   2.471  -0.461
  519   HG21  VAL  67          HG21      VAL  67 -15.073   4.744   0.400
  520   HG22  VAL  67          HG22      VAL  67 -14.243   3.189   0.208
  521   HG23  VAL  67          HG23      VAL  67 -14.084   4.434  -1.049
  522    H    ALA  68           H        ALA  68 -17.028   2.604  -4.177
  523    HA   ALA  68           HA       ALA  68 -18.456   0.058  -3.572
  524    HB1  ALA  68           HB1      ALA  68 -19.330   2.397  -5.301
  525    HB2  ALA  68           HB2      ALA  68 -20.285   0.944  -4.936
  526    HB3  ALA  68           HB3      ALA  68 -19.861   2.081  -3.632
  527    H    GLY  69           H        GLY  69 -16.047   1.374  -5.620
  528    HA2  GLY  69           HA2      GLY  69 -16.788  -0.348  -7.911
  529    HA3  GLY  69           HA3      GLY  69 -15.552   0.914  -7.867
  530    H    GLU  70           H        GLU  70 -14.523  -0.302  -5.203
  531    HA   GLU  70           HA       GLU  70 -13.018  -2.591  -6.442
  532    HB2  GLU  70           HB2      GLU  70 -12.048  -0.332  -4.657
  533    HB3  GLU  70           HB3      GLU  70 -11.083  -1.762  -5.063
  534    HG2  GLU  70           HG2      GLU  70 -12.210   0.159  -7.133
  535    HG3  GLU  70           HG3      GLU  70 -10.592   0.283  -6.441
  536    H    ASP  71           H        ASP  71 -14.975  -1.527  -3.756
  537    HA   ASP  71           HA       ASP  71 -13.787  -3.064  -1.704
  538    HB2  ASP  71           HB2      ASP  71 -15.455  -1.415  -1.201
  539    HB3  ASP  71           HB3      ASP  71 -16.646  -2.223  -2.223
  540    H    GLY  72           H        GLY  72 -13.684  -5.177  -1.240
  541    HA2  GLY  72           HA2      GLY  72 -14.319  -7.395  -1.156
  542    HA3  GLY  72           HA3      GLY  72 -15.675  -7.057  -2.248
  543    H    ARG  73           H        ARG  73 -12.594  -5.867  -3.383
  544    HA   ARG  73           HA       ARG  73 -12.653  -7.983  -5.437
  545    HB2  ARG  73           HB2      ARG  73 -11.443  -6.615  -6.824
  546    HB3  ARG  73           HB3      ARG  73 -12.513  -5.489  -5.969
  547    HG2  ARG  73           HG2      ARG  73 -10.722  -4.655  -4.625
  548    HG3  ARG  73           HG3      ARG  73  -9.663  -6.019  -5.027
  549    HD2  ARG  73           HD2      ARG  73 -10.672  -4.087  -7.128
  550    HD3  ARG  73           HD3      ARG  73  -9.163  -3.840  -6.233
  551    HE   ARG  73           HE       ARG  73  -9.221  -6.487  -7.325
  552   HH11  ARG  73          HH11      ARG  73  -8.757  -3.115  -8.271
  553   HH12  ARG  73          HH12      ARG  73  -7.712  -3.522  -9.616
  554   HH21  ARG  73          HH21      ARG  73  -7.881  -6.983  -9.083
  555   HH22  ARG  73          HH22      ARG  73  -7.224  -5.701 -10.079
  556    H    MET  74           H        MET  74 -10.650  -8.998  -6.183
  557    HA   MET  74           HA       MET  74  -8.885  -9.604  -3.889
  558    HB2  MET  74           HB2      MET  74  -9.888 -11.527  -4.882
  559    HB3  MET  74           HB3      MET  74  -9.381 -11.044  -6.514
  560    HG2  MET  74           HG2      MET  74  -7.118 -11.479  -6.089
  561    HG3  MET  74           HG3      MET  74  -7.320 -11.374  -4.339
  562    HE1  MET  74           HE1      MET  74  -8.712 -14.631  -3.150
  563    HE2  MET  74           HE2      MET  74  -8.019 -13.026  -2.792
  564    HE3  MET  74           HE3      MET  74  -9.637 -13.153  -3.508
  565    H    ILE  75           H        ILE  75  -6.791  -9.190  -3.828
  566    HA   ILE  75           HA       ILE  75  -5.316  -8.324  -6.234
  567    HB   ILE  75           HB       ILE  75  -5.293  -6.770  -3.623
  568   HG12  ILE  75          HG12      ILE  75  -6.555  -5.997  -6.285
  569   HG13  ILE  75          HG13      ILE  75  -7.439  -6.444  -4.813
  570   HG21  ILE  75          HG21      ILE  75  -4.044  -6.150  -6.333
  571   HG22  ILE  75          HG22      ILE  75  -3.914  -5.163  -4.859
  572   HG23  ILE  75          HG23      ILE  75  -3.163  -6.760  -4.911
  573   HD11  ILE  75          HD11      ILE  75  -5.671  -4.003  -5.171
  574   HD12  ILE  75          HD12      ILE  75  -7.442  -4.045  -5.005
  575   HD13  ILE  75          HD13      ILE  75  -6.415  -4.506  -3.629
  576    H    ALA  76           H        ALA  76  -3.227  -9.082  -6.177
  577    HA   ALA  76           HA       ALA  76  -1.564 -10.490  -5.624
  578    HB1  ALA  76           HB1      ALA  76  -0.400  -9.990  -3.562
  579    HB2  ALA  76           HB2      ALA  76  -1.040  -8.482  -4.256
  580    HB3  ALA  76           HB3      ALA  76  -1.864  -9.250  -2.882
  581    H    GLY  77           H        GLY  77  -4.517 -11.431  -4.823
  582    HA2  GLY  77           HA2      GLY  77  -4.903 -13.789  -4.655
  583    HA3  GLY  77           HA3      GLY  77  -3.492 -13.934  -3.595
  584    H    GLN  78           H        GLN  78  -4.999 -11.193  -2.472
  585    HA   GLN  78           HA       GLN  78  -6.897 -12.711  -0.739
  586    HB2  GLN  78           HB2      GLN  78  -4.918 -10.554   0.084
  587    HB3  GLN  78           HB3      GLN  78  -6.250 -11.130   1.085
  588    HG2  GLN  78           HG2      GLN  78  -4.283 -12.263   1.809
  589    HG3  GLN  78           HG3      GLN  78  -5.315 -13.447   0.992
  590   HE21  GLN  78          HE21      GLN  78  -2.908 -10.998  -0.140
  591   HE22  GLN  78          HE22      GLN  78  -1.933 -12.138  -1.047
  592    H    VAL  79           H        VAL  79  -8.532 -11.293   0.263
  593    HA   VAL  79           HA       VAL  79  -9.369  -9.181  -1.670
  594    HB   VAL  79           HB       VAL  79 -10.980 -10.789   0.335
  595   HG11  VAL  79          HG11      VAL  79 -11.963  -8.555   0.116
  596   HG12  VAL  79          HG12      VAL  79 -11.878  -8.661  -1.658
  597   HG13  VAL  79          HG13      VAL  79 -12.962  -9.734  -0.747
  598   HG21  VAL  79          HG21      VAL  79 -10.277 -12.058  -1.672
  599   HG22  VAL  79          HG22      VAL  79 -12.023 -11.734  -1.720
  600   HG23  VAL  79          HG23      VAL  79 -10.914 -10.766  -2.718
  601    H    LEU  80           H        LEU  80 -10.032  -7.189  -0.962
  602    HA   LEU  80           HA       LEU  80  -9.191  -6.464   1.801
  603    HB2  LEU  80           HB2      LEU  80  -8.981  -4.107   0.526
  604    HB3  LEU  80           HB3      LEU  80  -7.648  -5.196   0.847
  605    HG   LEU  80           HG       LEU  80  -7.556  -4.288  -1.392
  606   HD11  LEU  80          HD11      LEU  80  -8.156  -7.222  -1.775
  607   HD12  LEU  80          HD12      LEU  80  -6.931  -6.204  -2.517
  608   HD13  LEU  80          HD13      LEU  80  -6.762  -6.660  -0.811
  609   HD21  LEU  80          HD21      LEU  80  -9.990  -4.033  -1.770
  610   HD22  LEU  80          HD22      LEU  80 -10.135  -5.789  -1.975
  611   HD23  LEU  80          HD23      LEU  80  -9.149  -4.840  -3.113
  612    H    ASP  81           H        ASP  81 -10.382  -5.055   2.956
  613    HA   ASP  81           HA       ASP  81 -13.203  -4.810   2.075
  614    HB2  ASP  81           HB2      ASP  81 -12.699  -6.012   4.195
  615    HB3  ASP  81           HB3      ASP  81 -11.864  -4.576   4.800
  616    H    ILE  82           H        ILE  82 -13.557  -2.908   1.026
  617    HA   ILE  82           HA       ILE  82 -11.995  -0.541   1.904
  618    HB   ILE  82           HB       ILE  82 -13.436  -1.154  -0.686
  619   HG12  ILE  82          HG12      ILE  82 -10.450  -0.853  -0.163
  620   HG13  ILE  82          HG13      ILE  82 -11.262  -2.430  -0.124
  621   HG21  ILE  82          HG21      ILE  82 -13.421   1.267  -0.135
  622   HG22  ILE  82          HG22      ILE  82 -11.655   1.201   0.069
  623   HG23  ILE  82          HG23      ILE  82 -12.396   0.915  -1.529
  624   HD11  ILE  82          HD11      ILE  82 -11.269  -0.566  -2.527
  625   HD12  ILE  82          HD12      ILE  82 -10.277  -2.036  -2.325
  626   HD13  ILE  82          HD13      ILE  82 -12.042  -2.165  -2.401
  627    H    ASN  83           H        ASN  83 -12.984   1.347   2.511
  628    HA   ASN  83           HA       ASN  83 -15.902   1.586   2.412
  629    HB2  ASN  83           HB2      ASN  83 -15.277   0.067   4.387
  630    HB3  ASN  83           HB3      ASN  83 -14.504   1.485   5.113
  631   HD21  ASN  83          HD21      ASN  83 -15.871   3.229   5.905
  632   HD22  ASN  83          HD22      ASN  83 -17.585   2.973   6.105
  633    H    LEU  84           H        LEU  84 -16.632   3.690   3.343
  634    HA   LEU  84           HA       LEU  84 -14.892   5.869   2.730
  635    HB2  LEU  84           HB2      LEU  84 -17.626   5.425   3.427
  636    HB3  LEU  84           HB3      LEU  84 -16.986   6.536   4.640
  637    HG   LEU  84           HG       LEU  84 -18.033   7.695   2.729
  638   HD11  LEU  84          HD11      LEU  84 -15.026   8.132   2.837
  639   HD12  LEU  84          HD12      LEU  84 -16.269   9.295   2.336
  640   HD13  LEU  84          HD13      LEU  84 -16.206   8.752   4.025
  641   HD21  LEU  84          HD21      LEU  84 -17.401   6.023   0.974
  642   HD22  LEU  84          HD22      LEU  84 -15.727   6.653   1.041
  643   HD23  LEU  84          HD23      LEU  84 -17.055   7.709   0.532
  644    H    ALA  85           H        ALA  85 -13.756   7.296   4.197
  645    HA   ALA  85           HA       ALA  85 -12.584   5.775   6.360
  646    HB1  ALA  85           HB1      ALA  85 -12.088   8.632   5.467
  647    HB2  ALA  85           HB2      ALA  85 -11.033   7.665   6.529
  648    HB3  ALA  85           HB3      ALA  85 -11.259   7.188   4.827
  649    H    ALA  86           H        ALA  86 -15.373   7.629   6.297
  650    HA   ALA  86           HA       ALA  86 -15.122   8.153   9.216
  651    HB1  ALA  86           HB1      ALA  86 -16.483   9.906   7.141
  652    HB2  ALA  86           HB2      ALA  86 -16.464  10.192   8.899
  653    HB3  ALA  86           HB3      ALA  86 -14.947  10.258   7.969
  654    H    GLU  87           H        GLU  87 -16.380   5.986   7.310
  655    HA   GLU  87           HA       GLU  87 -19.006   5.986   8.702
  656    HB2  GLU  87           HB2      GLU  87 -18.621   5.323   5.762
  657    HB3  GLU  87           HB3      GLU  87 -20.139   5.264   6.681
  658    HG2  GLU  87           HG2      GLU  87 -19.897   7.719   7.153
  659    HG3  GLU  87           HG3      GLU  87 -18.494   7.756   6.080
  660    HA   PRO  88           HA       PRO  88 -16.557   1.922   8.636
  661    HB2  PRO  88           HB2      PRO  88 -16.080   1.649  11.339
  662    HB3  PRO  88           HB3      PRO  88 -14.969   2.491  10.213
  663    HG2  PRO  88           HG2      PRO  88 -17.099   3.714  11.995
  664    HG3  PRO  88           HG3      PRO  88 -15.388   4.228  11.793
  665    HD2  PRO  88           HD2      PRO  88 -17.381   5.471  10.448
  666    HD3  PRO  88           HD3      PRO  88 -15.818   5.130   9.648
  667    H    LYS  89           H        LYS  89 -17.636   0.047   8.815
  668    HA   LYS  89           HA       LYS  89 -20.036  -0.114  10.579
  669    HB2  LYS  89           HB2      LYS  89 -20.620   0.369   8.203
  670    HB3  LYS  89           HB3      LYS  89 -19.740  -1.092   7.712
  671    HG2  LYS  89           HG2      LYS  89 -21.304  -2.479   9.041
  672    HG3  LYS  89           HG3      LYS  89 -22.148  -1.011   9.584
  673    HD2  LYS  89           HD2      LYS  89 -23.391  -1.988   7.737
  674    HD3  LYS  89           HD3      LYS  89 -22.646  -0.463   7.199
  675    HE2  LYS  89           HE2      LYS  89 -20.817  -1.732   6.137
  676    HE3  LYS  89           HE3      LYS  89 -21.532  -3.252   6.704
  677    HZ1  LYS  89           HZ1      LYS  89 -22.131  -2.782   4.432
  678    HZ2  LYS  89           HZ2      LYS  89 -23.472  -2.761   5.373
  679    HZ3  LYS  89           HZ3      LYS  89 -22.814  -1.345   4.854
  680    H    VAL  90           H        VAL  90 -17.177  -1.576   9.184
  681    HA   VAL  90           HA       VAL  90 -17.790  -4.278  10.037
  682    HB   VAL  90           HB       VAL  90 -16.368  -3.703   8.078
  683   HG11  VAL  90          HG11      VAL  90 -14.329  -2.851  10.179
  684   HG12  VAL  90          HG12      VAL  90 -14.047  -2.997   8.428
  685   HG13  VAL  90          HG13      VAL  90 -15.161  -1.766   9.042
  686   HG21  VAL  90          HG21      VAL  90 -16.220  -5.912   9.221
  687   HG22  VAL  90          HG22      VAL  90 -14.706  -5.413   8.440
  688   HG23  VAL  90          HG23      VAL  90 -14.871  -5.291  10.202
  689    H    ASN  91           H        ASN  91 -16.628  -5.464  11.641
  690    HA   ASN  91           HA       ASN  91 -16.435  -3.928  14.105
  691    HB2  ASN  91           HB2      ASN  91 -15.910  -6.890  13.748
  692    HB3  ASN  91           HB3      ASN  91 -16.488  -6.042  15.192
  693   HD21  ASN  91          HD21      ASN  91 -17.310  -7.295  12.005
  694   HD22  ASN  91          HD22      ASN  91 -19.051  -7.186  12.180
  695    H    ARG  92           H        ARG  92 -14.280  -4.262  11.718
  696    HA   ARG  92           HA       ARG  92 -12.064  -4.553  11.437
  697    HB2  ARG  92           HB2      ARG  92 -12.084  -3.028  14.073
  698    HB3  ARG  92           HB3      ARG  92 -10.642  -3.269  13.060
  699    HG2  ARG  92           HG2      ARG  92 -11.909  -2.270  11.129
  700    HG3  ARG  92           HG3      ARG  92 -13.224  -1.868  12.248
  701    HD2  ARG  92           HD2      ARG  92 -10.349  -0.869  12.423
  702    HD3  ARG  92           HD3      ARG  92 -11.738   0.070  11.879
  703    HE   ARG  92           HE       ARG  92 -12.674  -0.066  14.135
  704   HH11  ARG  92          HH21      ARG  92  -9.238  -0.944  13.825
  705   HH12  ARG  92          HH22      ARG  92  -8.901  -0.600  15.497
  706   HH21  ARG  92          HH11      ARG  92 -12.177   0.368  16.294
  707   HH22  ARG  92          HH12      ARG  92 -10.549   0.134  16.892
  708    H    GLY  93           H        GLY  93 -13.120  -6.853  12.131
  709    HA2  GLY  93           HA2      GLY  93 -11.971  -8.092  14.457
  710    HA3  GLY  93           HA3      GLY  93 -12.844  -8.888  13.128
  711    H    LYS  94           H        LYS  94 -10.249  -7.040  11.920
  712    HA   LYS  94           HA       LYS  94  -8.316  -7.571  10.909
  713    HB2  LYS  94           HB2      LYS  94  -7.934  -9.411  13.276
  714    HB3  LYS  94           HB3      LYS  94  -6.664  -8.743  12.222
  715    HG2  LYS  94           HG2      LYS  94  -7.372  -6.440  12.904
  716    HG3  LYS  94           HG3      LYS  94  -8.522  -7.150  14.046
  717    HD2  LYS  94           HD2      LYS  94  -5.506  -7.588  14.090
  718    HD3  LYS  94           HD3      LYS  94  -6.415  -6.505  15.162
  719    HE2  LYS  94           HE2      LYS  94  -7.708  -8.441  16.013
  720    HE3  LYS  94           HE3      LYS  94  -6.791  -9.523  14.953
  721    HZ1  LYS  94           HZ1      LYS  94  -4.801  -8.884  16.127
  722    HZ2  LYS  94           HZ2      LYS  94  -5.644  -7.865  17.105
  723    HZ3  LYS  94           HZ3      LYS  94  -5.908  -9.487  17.178
  724    H    ALA  95           H        ALA  95 -10.772  -9.605  10.682
  725    HA   ALA  95           HA       ALA  95  -9.376 -11.247   8.690
  726    HB1  ALA  95           HB1      ALA  95 -10.882 -12.471  11.046
  727    HB2  ALA  95           HB2      ALA  95 -10.224 -13.372   9.658
  728    HB3  ALA  95           HB3      ALA  95  -9.124 -12.553  10.790
  729    H    GLY  96           H        GLY  96 -12.206  -9.742  10.009
  730    HA2  GLY  96           HA2      GLY  96 -14.169  -9.195   8.926
  731    HA3  GLY  96           HA3      GLY  96 -13.667 -10.173   7.526
  732    H    VAL  97           H        VAL  97 -13.320 -11.991  10.355
  733    HA   VAL  97           HA       VAL  97 -15.674 -13.601   9.662
  734    HB   VAL  97           HB       VAL  97 -13.421 -14.000  11.665
  735   HG11  VAL  97          HG11      VAL  97 -15.569 -15.930  10.680
  736   HG12  VAL  97          HG12      VAL  97 -14.159 -16.377  11.667
  737   HG13  VAL  97          HG13      VAL  97 -15.390 -15.302  12.342
  738   HG21  VAL  97          HG21      VAL  97 -12.664 -13.991   9.318
  739   HG22  VAL  97          HG22      VAL  97 -12.589 -15.630   9.995
  740   HG23  VAL  97          HG23      VAL  97 -13.922 -15.184   8.903
  741    H    LYS  98           H        LYS  98 -14.725 -11.258  12.063
  742    HA   LYS  98           HA       LYS  98 -16.627 -12.086  14.082
  743    HB2  LYS  98           HB2      LYS  98 -15.231  -9.427  13.626
  744    HB3  LYS  98           HB3      LYS  98 -16.109  -9.882  15.096
  745    HG2  LYS  98           HG2      LYS  98 -13.603 -11.234  13.997
  746    HG3  LYS  98           HG3      LYS  98 -13.674 -10.142  15.386
  747    HD2  LYS  98           HD2      LYS  98 -15.000 -12.881  15.181
  748    HD3  LYS  98           HD3      LYS  98 -13.542 -12.476  16.105
  749    HE2  LYS  98           HE2      LYS  98 -14.849 -10.877  17.472
  750    HE3  LYS  98           HE3      LYS  98 -16.314 -11.304  16.577
  751    HZ1  LYS  98           HZ1      LYS  98 -14.697 -13.161  18.197
  752    HZ2  LYS  98           HZ2      LYS  98 -16.141 -12.512  18.639
  753    HZ3  LYS  98           HZ3      LYS  98 -16.062 -13.563  17.376
  754    H    ARG  99           H        ARG  99 -18.565 -11.139  14.665
  755    HA   ARG  99           HA       ARG  99 -19.960  -9.524  12.565
  756    HB2  ARG  99           HB2      ARG  99 -20.755 -12.023  14.026
  757    HB3  ARG  99           HB3      ARG  99 -21.988 -10.782  13.811
  758    HG2  ARG  99           HG2      ARG  99 -22.155 -12.353  12.013
  759    HG3  ARG  99           HG3      ARG  99 -21.632 -10.784  11.376
  760    HD2  ARG  99           HD2      ARG  99 -19.329 -11.581  11.220
  761    HD3  ARG  99           HD3      ARG  99 -19.787 -13.124  11.980
  762    HE   ARG  99           HE       ARG  99 -21.311 -12.473   9.570
  763   HH11  ARG  99          HH11      ARG  99 -18.350 -14.010  10.778
  764   HH12  ARG  99          HH12      ARG  99 -18.199 -15.050   9.384
  765   HH21  ARG  99          HH21      ARG  99 -21.064 -13.827   7.767
  766   HH22  ARG  99          HH22      ARG  99 -19.726 -14.942   7.683
  767    H    SER 100           H        SER 100 -21.676  -8.172  13.362
  768    HA   SER 100           HA       SER 100 -21.036  -6.923  15.939
  769    HB2  SER 100           HB2      SER 100 -21.585  -5.537  13.970
  770    HB3  SER 100           HB3      SER 100 -23.163  -6.343  13.842
  771    HG   SER 100           HG       SER 100 -22.219  -4.677  15.931
  772    H    ALA 101           H        ALA 101 -22.623  -6.676  17.662
  773    HA   ALA 101           HA       ALA 101 -24.013  -9.118  18.230
  774    HB1  ALA 101           HB1      ALA 101 -24.153  -6.386  19.566
  775    HB2  ALA 101           HB2      ALA 101 -24.723  -7.915  20.266
  776    HB3  ALA 101           HB3      ALA 101 -22.989  -7.679  19.954
  777    H    ALA 102           H        ALA 102 -24.891  -6.531  16.239
  778    HA   ALA 102           HA       ALA 102 -27.805  -7.012  16.619
  779    HB1  ALA 102           HB1      ALA 102 -26.276  -4.813  15.182
  780    HB2  ALA 102           HB2      ALA 102 -28.044  -4.895  15.362
  781    HB3  ALA 102           HB3      ALA 102 -27.010  -4.673  16.797
  782    H    GLU 103           H        GLU 103 -25.191  -7.997  14.757
  783    HA   GLU 103           HA       GLU 103 -26.895  -8.563  12.376
  784    HB2  GLU 103           HB2      GLU 103 -23.896  -8.070  12.500
  785    HB3  GLU 103           HB3      GLU 103 -24.820  -8.469  11.045
  786    HG2  GLU 103           HG2      GLU 103 -25.213  -5.996  12.782
  787    HG3  GLU 103           HG3      GLU 103 -24.351  -6.042  11.238
  788    H    MET 104           H        MET 104 -26.090 -10.054  15.020
  789    HA   MET 104           HA       MET 104 -24.570 -12.324  14.175
  790    HB2  MET 104           HB2      MET 104 -26.455 -11.834  16.501
  791    HB3  MET 104           HB3      MET 104 -25.684 -13.413  16.226
  792    HG2  MET 104           HG2      MET 104 -24.193 -10.804  16.575
  793    HG3  MET 104           HG3      MET 104 -24.413 -12.051  17.803
  794    HE1  MET 104           HE1      MET 104 -21.630 -10.972  17.185
  795    HE2  MET 104           HE2      MET 104 -21.969 -12.310  18.312
  796    HE3  MET 104           HE3      MET 104 -20.671 -12.477  17.100
  797    H    TYR 105           H        TYR 105 -25.493 -14.571  14.368
  798    HA   TYR 105           HA       TYR 105 -27.140 -15.013  12.099
  799    HB2  TYR 105           HB2      TYR 105 -26.357 -16.982  14.269
  800    HB3  TYR 105           HB3      TYR 105 -26.708 -17.325  12.575
  801    HD1  TYR 105           HD1      TYR 105 -24.274 -15.912  14.977
  802    HD2  TYR 105           HD2      TYR 105 -24.996 -16.907  10.853
  803    HE1  TYR 105           HE1      TYR 105 -21.878 -15.561  14.484
  804    HE2  TYR 105           HE2      TYR 105 -22.586 -16.597  10.355
  805    HH   TYR 105           HH       TYR 105 -20.232 -15.639  12.882
  806    H    GLY 106           H        GLY 106 -27.969 -14.405  15.383
  807    HA2  GLY 106           HA2      GLY 106 -30.020 -14.307  16.432
  808    HA3  GLY 106           HA3      GLY 106 -30.791 -14.723  14.888
  809    H5'    A   1           H5'        A   1   1.549 -12.990   7.606
  810   H5''    A   1          H5''        A   1   2.876 -12.738   6.455
  811    H4'    A   1           H4'        A   1   3.009 -12.009   9.427
  812    H3'    A   1           H3'        A   1   1.356 -10.656   7.795
  813    H2'    A   1           H2'        A   1   2.792 -10.619   5.899
  814   HO2'    A   1          HO2'        A   1   2.161  -8.432   6.386
  815    H1'    A   1           H1'        A   1   5.093  -9.629   7.499
  816    H8     A   1           H8         A   1   5.326  -9.146   4.671
  817    H61    A   1           H61        A   1   7.972 -14.263   2.371
  818    H62    A   1           H62        A   1   7.616 -12.570   2.072
  819    H2     A   1           H2         A   1   6.410 -15.278   6.322
  820    H5'    U   2           H5'        U   2   0.808  -7.321   8.624
  821   H5''    U   2          H5''        U   2   0.172  -7.022  10.252
  822    H4'    U   2           H4'        U   2  -1.542  -6.304   8.802
  823    H3'    U   2           H3'        U   2  -2.080  -8.398  10.555
  824    H2'    U   2           H2'        U   2  -1.851 -10.069   8.825
  825   HO2'    U   2          HO2'        U   2  -4.000 -10.703   8.336
  826    H1'    U   2           H1'        U   2  -3.396  -8.161   7.051
  827    H3     U   2           H3         U   2  -3.886 -11.713   4.236
  828    H5     U   2           H5         U   2   0.158 -11.905   5.380
  829    H6     U   2           H6         U   2  -0.175  -9.928   6.713
  830    H5'    U   3           H5'        U   3  -6.445  -5.764  10.112
  831   H5''    U   3          H5''        U   3  -5.709  -5.818   8.498
  832    H4'    U   3           H4'        U   3  -5.677  -3.218   8.667
  833    H3'    U   3           H3'        U   3  -6.521  -3.687  11.237
  834    H2'    U   3           H2'        U   3  -8.505  -4.802  10.612
  835   HO2'    U   3          HO2'        U   3  -8.923  -2.562  11.707
  836    H1'    U   3           H1'        U   3  -9.001  -2.705   8.497
  837    H3     U   3           H3         U   3 -12.766  -4.691   7.023
  838    H5     U   3           H5         U   3 -10.632  -7.883   8.739
  839    H6     U   3           H6         U   3  -8.824  -6.328   9.221
  840    H5'    U   4           H5'        U   4  -6.090   0.891   9.683
  841   H5''    U   4          H5''        U   4  -5.290   1.188  11.240
  842    H4'    U   4           H4'        U   4  -5.831   3.315  10.264
  843    H3'    U   4           H3'        U   4  -6.888   2.522  12.829
  844    H2'    U   4           H2'        U   4  -9.111   2.685  12.117
  845   HO2'    U   4          HO2'        U   4  -8.265   5.347  12.650
  846    H1'    U   4           H1'        U   4  -8.194   4.871  10.225
  847    H3     U   4           H3         U   4 -12.305   5.766   8.654
  848    H5     U   4           H5         U   4 -12.531   1.660   9.525
  849    H6     U   4           H6         U   4 -10.250   1.769  10.352
  850    H5'    U   5           H5'        U   5  -3.856   3.407  10.643
  851   H5''    U   5          H5''        U   5  -2.485   3.603  11.751
  852    H4'    U   5           H4'        U   5  -1.657   4.206   9.619
  853    H3'    U   5           H3'        U   5  -1.588   6.059  11.651
  854    H2'    U   5           H2'        U   5  -3.502   7.279  11.001
  855   HO2'    U   5          HO2'        U   5  -1.317   8.514  10.533
  856    H1'    U   5           H1'        U   5  -2.740   7.039   8.097
  857    H3     U   5           H3         U   5  -6.570   8.924   6.745
  858    H5     U   5           H5         U   5  -7.711   7.020  10.319
  859    H6     U   5           H6         U   5  -5.416   6.246  10.556
  860    H5'    U   6           H5'        U   6   1.632   5.256   8.672
  861   H5''    U   6          H5''        U   6   3.073   5.581   9.642
  862    H4'    U   6           H4'        U   6   3.551   5.323   7.222
  863    H3'    U   6           H3'        U   6   4.719   7.134   8.918
  864    H2'    U   6           H2'        U   6   3.212   8.916   8.436
  865   HO2'    U   6          HO2'        U   6   4.355  10.297   6.898
  866    H1'    U   6           H1'        U   6   3.308   8.327   5.479
  867    H3     U   6           H3         U   6   1.020  12.312   5.737
  868    H5     U   6           H5         U   6  -1.547   9.376   7.312
  869    H6     U   6           H6         U   6   0.321   7.848   7.346
  870    H5'    C   7           H5'        C   7   4.910   5.283   4.798
  871   H5''    C   7          H5''        C   7   5.333   3.669   5.404
  872    H4'    C   7           H4'        C   7   6.877   5.073   3.169
  873    H3'    C   7           H3'        C   7   4.319   4.459   2.698
  874    H2'    C   7           H2'        C   7   4.188   2.390   3.753
  875   HO2'    C   7          HO2'        C   7   5.202   1.669   1.187
  876    H1'    C   7           H1'        C   7   6.753   1.221   2.833
  877    H41    C   7           H41        C   7   6.347  -0.531   9.116
  878    H42    C   7           H42        C   7   4.783  -1.145   8.611
  879    H5     C   7           H5         C   7   3.863  -0.740   6.387
  880    H6     C   7           H6         C   7   4.230   0.384   4.280
  Start of MODEL    2
    1    H1   ALA   2           H        ALA   2   2.124  11.008  -6.507
    2    H2   ALA   2           H2       ALA   2   1.237   9.789  -5.825
    3    HA   ALA   2           HA       ALA   2   0.442  12.606  -6.010
    4    HB1  ALA   2           HB1      ALA   2  -0.960  10.259  -4.667
    5    HB2  ALA   2           HB2      ALA   2  -1.503  11.955  -4.655
    6    HB3  ALA   2           HB3      ALA   2  -1.475  11.051  -6.175
    7    H    SER   3           H        SER   3  -0.163  13.273  -3.572
    8    HA   SER   3           HA       SER   3   2.321  13.447  -2.208
    9    HB2  SER   3           HB2      SER   3   0.451  15.102  -2.141
   10    HB3  SER   3           HB3      SER   3  -0.462  13.967  -1.116
   11    HG   SER   3           HG       SER   3   0.762  15.541   0.059
   12    H    ASN   4           H        ASN   4   2.405  12.943   0.256
   13    HA   ASN   4           HA       ASN   4   1.813  10.043   0.520
   14    HB2  ASN   4           HB2      ASN   4   3.801   9.897   1.904
   15    HB3  ASN   4           HB3      ASN   4   4.213  10.667   0.368
   16   HD21  ASN   4          HD21      ASN   4   6.029  11.035   2.264
   17   HD22  ASN   4          HD22      ASN   4   5.935  12.648   2.944
   18    H    VAL   5           H        VAL   5   0.163  12.578   1.404
   19    HA   VAL   5           HA       VAL   5  -0.072  11.749   4.250
   20    HB   VAL   5           HB       VAL   5   1.016  13.985   3.822
   21   HG11  VAL   5          HG11      VAL   5  -0.419  14.654   1.905
   22   HG12  VAL   5          HG12      VAL   5  -1.801  14.809   3.010
   23   HG13  VAL   5          HG13      VAL   5  -0.385  15.869   3.202
   24   HG21  VAL   5          HG21      VAL   5   0.084  13.471   5.971
   25   HG22  VAL   5          HG22      VAL   5  -0.316  15.146   5.556
   26   HG23  VAL   5          HG23      VAL   5  -1.561  13.878   5.419
   27    H    THR   6           H        THR   6  -2.018  11.281   5.017
   28    HA   THR   6           HA       THR   6  -4.418  11.900   3.441
   29    HB   THR   6           HB       THR   6  -5.161   9.552   3.381
   30    HG1  THR   6           HG1      THR   6  -3.912   8.779   5.142
   31   HG21  THR   6          HG21      THR   6  -3.726   8.668   1.673
   32   HG22  THR   6          HG22      THR   6  -3.858  10.422   1.436
   33   HG23  THR   6          HG23      THR   6  -2.381   9.713   2.170
   34    H    ASN   7           H        ASN   7  -3.072  12.162   6.379
   35    HA   ASN   7           HA       ASN   7  -5.313  10.899   7.819
   36    HB2  ASN   7           HB2      ASN   7  -3.979  10.784   9.745
   37    HB3  ASN   7           HB3      ASN   7  -2.983  10.279   8.396
   38   HD21  ASN   7          HD21      ASN   7  -1.433  10.759  10.303
   39   HD22  ASN   7          HD22      ASN   7  -0.729  12.367  10.317
   40    H    LYS   8           H        LYS   8  -5.368  13.613   6.382
   41    HA   LYS   8           HA       LYS   8  -5.745  15.626   8.393
   42    HB2  LYS   8           HB2      LYS   8  -6.649  15.259   5.524
   43    HB3  LYS   8           HB3      LYS   8  -7.249  16.604   6.492
   44    HG2  LYS   8           HG2      LYS   8  -5.363  17.255   5.095
   45    HG3  LYS   8           HG3      LYS   8  -5.038  17.507   6.810
   46    HD2  LYS   8           HD2      LYS   8  -4.105  14.976   5.442
   47    HD3  LYS   8           HD3      LYS   8  -3.198  16.479   5.240
   48    HE2  LYS   8           HE2      LYS   8  -3.863  15.247   7.946
   49    HE3  LYS   8           HE3      LYS   8  -2.323  15.065   7.096
   50    HZ1  LYS   8           HZ1      LYS   8  -2.042  17.432   7.183
   51    HZ2  LYS   8           HZ2      LYS   8  -3.474  17.621   7.972
   52    HZ3  LYS   8           HZ3      LYS   8  -2.231  16.826   8.698
   53    H    THR   9           H        THR   9  -7.810  16.611   8.997
   54    HA   THR   9           HA       THR   9  -9.954  14.570   9.296
   55    HB   THR   9           HB       THR   9 -10.221  15.259  11.665
   56    HG1  THR   9           HG1      THR   9  -9.196  17.268  11.548
   57   HG21  THR   9          HG21      THR   9  -8.312  14.018  12.522
   58   HG22  THR   9          HG22      THR   9  -8.892  13.259  11.026
   59   HG23  THR   9          HG23      THR   9  -7.420  14.258  11.005
   60    H    ASP  10           H        ASP  10  -9.693  16.971   7.525
   61    HA   ASP  10           HA       ASP  10 -11.450  18.984   8.606
   62    HB2  ASP  10           HB2      ASP  10 -10.556  18.397   5.749
   63    HB3  ASP  10           HB3      ASP  10 -11.397  19.855   6.271
   64    HA   PRO  11           HA       PRO  11 -15.363  17.476   8.058
   65    HB2  PRO  11           HB2      PRO  11 -16.227  19.946   6.610
   66    HB3  PRO  11           HB3      PRO  11 -16.813  19.271   8.169
   67    HG2  PRO  11           HG2      PRO  11 -15.220  21.469   8.122
   68    HG3  PRO  11           HG3      PRO  11 -14.994  20.180   9.358
   69    HD2  PRO  11           HD2      PRO  11 -13.494  20.543   6.743
   70    HD3  PRO  11           HD3      PRO  11 -12.839  20.291   8.391
   71    H    ARG  12           H        ARG  12 -13.635  18.182   5.183
   72    HA   ARG  12           HA       ARG  12 -15.614  16.579   3.630
   73    HB2  ARG  12           HB2      ARG  12 -15.239  17.920   1.675
   74    HB3  ARG  12           HB3      ARG  12 -15.772  18.935   3.015
   75    HG2  ARG  12           HG2      ARG  12 -14.097  20.215   2.070
   76    HG3  ARG  12           HG3      ARG  12 -13.238  19.427   3.397
   77    HD2  ARG  12           HD2      ARG  12 -12.319  17.759   1.781
   78    HD3  ARG  12           HD3      ARG  12 -13.248  18.523   0.481
   79    HE   ARG  12           HE       ARG  12 -11.513  20.383   1.891
   80   HH11  ARG  12          HH11      ARG  12 -11.631  17.960  -0.694
   81   HH12  ARG  12          HH12      ARG  12 -10.246  18.613  -1.526
   82   HH21  ARG  12          HH21      ARG  12  -9.699  21.204   0.780
   83   HH22  ARG  12          HH22      ARG  12  -9.154  20.443  -0.698
   84    H    SER  13           H        SER  13 -12.399  16.828   4.764
   85    HA   SER  13           HA       SER  13 -11.339  15.180   2.568
   86    HB2  SER  13           HB2      SER  13  -9.218  15.358   3.657
   87    HB3  SER  13           HB3      SER  13  -9.965  16.972   3.607
   88    HG   SER  13           HG       SER  13  -9.102  16.496   5.655
   89    H    MET  14           H        MET  14 -12.736  14.825   5.750
   90    HA   MET  14           HA       MET  14 -11.787  12.129   6.213
   91    HB2  MET  14           HB2      MET  14 -13.953  13.934   7.353
   92    HB3  MET  14           HB3      MET  14 -13.862  12.242   7.856
   93    HG2  MET  14           HG2      MET  14 -11.252  13.594   7.884
   94    HG3  MET  14           HG3      MET  14 -12.426  14.366   8.941
   95    HE1  MET  14           HE1      MET  14 -11.287  10.756   7.866
   96    HE2  MET  14           HE2      MET  14 -11.527   9.828   9.368
   97    HE3  MET  14           HE3      MET  14 -12.926  10.427   8.460
   98    H    ASN  15           H        ASN  15 -14.157  13.469   4.109
   99    HA   ASN  15           HA       ASN  15 -15.286  10.752   3.731
  100    HB2  ASN  15           HB2      ASN  15 -17.368  12.002   2.880
  101    HB3  ASN  15           HB3      ASN  15 -17.083  11.907   4.625
  102   HD21  ASN  15          HD21      ASN  15 -16.385  13.751   5.780
  103   HD22  ASN  15          HD22      ASN  15 -16.600  15.361   5.121
  104    H    SER  16           H        SER  16 -13.176  12.860   2.404
  105    HA   SER  16           HA       SER  16 -13.853  11.938  -0.341
  106    HB2  SER  16           HB2      SER  16 -12.391  13.652  -1.172
  107    HB3  SER  16           HB3      SER  16 -13.500  14.411  -0.003
  108    HG   SER  16           HG       SER  16 -11.281  14.995   0.261
  109    H    ARG  17           H        ARG  17 -12.603  10.570   2.136
  110    HA   ARG  17           HA       ARG  17 -10.069   9.637   0.850
  111    HB2  ARG  17           HB2      ARG  17  -9.751  11.022   2.837
  112    HB3  ARG  17           HB3      ARG  17 -10.730   9.892   3.797
  113    HG2  ARG  17           HG2      ARG  17  -9.113   8.133   3.521
  114    HG3  ARG  17           HG3      ARG  17  -8.307   9.001   2.191
  115    HD2  ARG  17           HD2      ARG  17  -6.984   9.206   4.198
  116    HD3  ARG  17           HD3      ARG  17  -7.643  10.790   3.728
  117    HE   ARG  17           HE       ARG  17  -8.812   9.088   5.875
  118   HH11  ARG  17          HH11      ARG  17  -8.040  12.298   4.555
  119   HH12  ARG  17          HH12      ARG  17  -8.415  13.112   6.059
  120   HH21  ARG  17          HH21      ARG  17  -9.191  10.220   7.833
  121   HH22  ARG  17          HH22      ARG  17  -9.065  11.967   7.868
  122    H    VAL  18           H        VAL  18  -9.539   7.444   1.115
  123    HA   VAL  18           HA       VAL  18 -11.890   5.656   1.550
  124    HB   VAL  18           HB       VAL  18  -9.505   5.280  -0.304
  125   HG11  VAL  18          HG11      VAL  18 -10.467   3.173   0.434
  126   HG12  VAL  18          HG12      VAL  18 -12.107   3.741   0.024
  127   HG13  VAL  18          HG13      VAL  18 -10.903   3.469  -1.257
  128   HG21  VAL  18          HG21      VAL  18 -10.880   7.114  -1.148
  129   HG22  VAL  18          HG22      VAL  18 -11.112   5.662  -2.134
  130   HG23  VAL  18          HG23      VAL  18 -12.357   6.128  -0.948
  131    H    PHE  19           H        PHE  19 -11.656   4.079   3.027
  132    HA   PHE  19           HA       PHE  19  -8.968   3.510   4.163
  133    HB2  PHE  19           HB2      PHE  19 -10.727   4.005   5.768
  134    HB3  PHE  19           HB3      PHE  19 -11.785   2.807   5.024
  135    HD1  PHE  19           HD2      PHE  19  -8.159   2.638   6.047
  136    HD2  PHE  19           HD1      PHE  19 -12.143   1.093   6.549
  137    HE1  PHE  19           HE2      PHE  19  -7.296   0.908   7.593
  138    HE2  PHE  19           HE1      PHE  19 -11.275  -0.631   8.096
  139    HZ   PHE  19           HZ       PHE  19  -8.852  -0.730   8.625
  140    H    ILE  20           H        ILE  20  -7.988   1.527   3.797
  141    HA   ILE  20           HA       ILE  20  -9.503  -0.483   2.183
  142    HB   ILE  20           HB       ILE  20  -6.617   0.400   1.792
  143   HG12  ILE  20          HG12      ILE  20  -8.969   0.831  -0.090
  144   HG13  ILE  20          HG13      ILE  20  -8.375   2.064   1.031
  145   HG21  ILE  20          HG21      ILE  20  -6.685  -1.120  -0.165
  146   HG22  ILE  20          HG22      ILE  20  -7.058  -2.012   1.310
  147   HG23  ILE  20          HG23      ILE  20  -8.367  -1.546   0.208
  148   HD11  ILE  20          HD11      ILE  20  -7.398   2.396  -1.186
  149   HD12  ILE  20          HD12      ILE  20  -6.135   1.968  -0.007
  150   HD13  ILE  20          HD13      ILE  20  -6.720   0.752  -1.164
  151    H    GLY  21           H        GLY  21  -9.844  -1.878   3.875
  152    HA2  GLY  21           HA2      GLY  21  -7.566  -2.570   5.653
  153    HA3  GLY  21           HA3      GLY  21  -9.272  -2.909   5.944
  154    H    ASN  22           H        ASN  22  -7.539  -4.867   6.412
  155    HA   ASN  22           HA       ASN  22  -7.026  -6.993   6.056
  156    HB2  ASN  22           HB2      ASN  22  -9.567  -6.957   5.871
  157    HB3  ASN  22           HB3      ASN  22  -9.349  -7.133   4.123
  158   HD21  ASN  22          HD21      ASN  22  -8.793  -9.179   3.294
  159   HD22  ASN  22          HD22      ASN  22  -8.641 -10.604   4.298
  160    H    LEU  23           H        LEU  23  -5.927  -4.906   4.100
  161    HA   LEU  23           HA       LEU  23  -5.587  -6.261   1.587
  162    HB2  LEU  23           HB2      LEU  23  -5.535  -3.810   1.919
  163    HB3  LEU  23           HB3      LEU  23  -4.061  -3.958   2.872
  164    HG   LEU  23           HG       LEU  23  -2.840  -4.803   0.897
  165   HD11  LEU  23          HD11      LEU  23  -3.913  -4.736  -1.334
  166   HD12  LEU  23          HD12      LEU  23  -4.679  -5.949  -0.296
  167   HD13  LEU  23          HD13      LEU  23  -5.476  -4.377  -0.566
  168   HD21  LEU  23          HD21      LEU  23  -2.976  -2.709  -0.454
  169   HD22  LEU  23          HD22      LEU  23  -2.941  -2.381   1.297
  170   HD23  LEU  23          HD23      LEU  23  -4.469  -2.278   0.397
  171    H    ASN  24           H        ASN  24  -3.583  -7.172   0.742
  172    HA   ASN  24           HA       ASN  24  -2.446  -9.080   2.536
  173    HB2  ASN  24           HB2      ASN  24  -1.104  -9.742   0.650
  174    HB3  ASN  24           HB3      ASN  24  -2.752  -9.416   0.096
  175   HD21  ASN  24          HD21      ASN  24   0.239  -9.204  -0.983
  176   HD22  ASN  24          HD22      ASN  24   0.168  -7.694  -1.880
  177    H    THR  25           H        THR  25  -1.180  -6.059   1.131
  178    HA   THR  25           HA       THR  25   0.571  -4.766   1.534
  179    HB   THR  25           HB       THR  25   0.914  -4.071   3.808
  180    HG1  THR  25           HG1      THR  25  -0.320  -6.545   4.392
  181   HG21  THR  25          HG21      THR  25  -1.971  -4.969   3.409
  182   HG22  THR  25          HG22      THR  25  -1.411  -3.619   4.414
  183   HG23  THR  25          HG23      THR  25  -1.241  -3.529   2.645
  184    H    LEU  26           H        LEU  26   1.220  -7.914   1.454
  185    HA   LEU  26           HA       LEU  26   4.051  -7.540   2.309
  186    HB2  LEU  26           HB2      LEU  26   2.714 -10.072   1.314
  187    HB3  LEU  26           HB3      LEU  26   4.320  -9.905   2.018
  188    HG   LEU  26           HG       LEU  26   1.630  -9.856   3.373
  189   HD11  LEU  26          HD11      LEU  26   4.308 -11.233   3.830
  190   HD12  LEU  26          HD12      LEU  26   2.858 -11.513   4.804
  191   HD13  LEU  26          HD13      LEU  26   2.867 -11.963   3.083
  192   HD21  LEU  26          HD21      LEU  26   2.770  -7.852   4.281
  193   HD22  LEU  26          HD22      LEU  26   4.226  -8.837   4.610
  194   HD23  LEU  26          HD23      LEU  26   2.694  -9.160   5.463
  195    H    VAL  27           H        VAL  27   2.020  -7.502  -0.478
  196    HA   VAL  27           HA       VAL  27   4.418  -7.704  -2.246
  197    HB   VAL  27           HB       VAL  27   1.658  -8.720  -2.993
  198   HG11  VAL  27          HG11      VAL  27   2.940  -9.964  -4.717
  199   HG12  VAL  27          HG12      VAL  27   3.155  -8.213  -4.872
  200   HG13  VAL  27          HG13      VAL  27   4.438  -9.203  -4.140
  201   HG21  VAL  27          HG21      VAL  27   2.425 -10.087  -1.097
  202   HG22  VAL  27          HG22      VAL  27   2.558 -11.012  -2.603
  203   HG23  VAL  27          HG23      VAL  27   4.013 -10.300  -1.868
  204    H    VAL  28           H        VAL  28   1.604  -5.951  -1.244
  205    HA   VAL  28           HA       VAL  28   1.460  -4.383  -3.717
  206    HB   VAL  28           HB       VAL  28  -0.423  -5.056  -1.912
  207   HG11  VAL  28          HG11      VAL  28   0.349  -2.231  -1.092
  208   HG12  VAL  28          HG12      VAL  28  -0.944  -3.241  -0.414
  209   HG13  VAL  28          HG13      VAL  28   0.762  -3.678  -0.140
  210   HG21  VAL  28          HG21      VAL  28  -0.807  -3.951  -4.097
  211   HG22  VAL  28          HG22      VAL  28  -1.813  -3.258  -2.805
  212   HG23  VAL  28          HG23      VAL  28  -0.374  -2.383  -3.367
  213    H    LYS  29           H        LYS  29   1.832  -2.034  -3.688
  214    HA   LYS  29           HA       LYS  29   3.542  -1.037  -1.498
  215    HB2  LYS  29           HB2      LYS  29   4.909   0.078  -3.476
  216    HB3  LYS  29           HB3      LYS  29   5.338  -1.512  -2.858
  217    HG2  LYS  29           HG2      LYS  29   3.360  -1.400  -5.121
  218    HG3  LYS  29           HG3      LYS  29   5.047  -0.997  -5.479
  219    HD2  LYS  29           HD2      LYS  29   5.853  -3.107  -4.755
  220    HD3  LYS  29           HD3      LYS  29   4.348  -3.503  -3.915
  221    HE2  LYS  29           HE2      LYS  29   4.547  -4.768  -6.006
  222    HE3  LYS  29           HE3      LYS  29   3.150  -3.688  -6.019
  223    HZ1  LYS  29           HZ1      LYS  29   5.738  -3.068  -7.283
  224    HZ2  LYS  29           HZ2      LYS  29   4.414  -3.626  -8.083
  225    HZ3  LYS  29           HZ3      LYS  29   4.358  -2.161  -7.359
  226    H    LYS  30           H        LYS  30   3.964   1.425  -1.952
  227    HA   LYS  30           HA       LYS  30   1.436   2.715  -1.921
  228    HB2  LYS  30           HB2      LYS  30   3.457   3.711  -0.933
  229    HB3  LYS  30           HB3      LYS  30   4.192   3.854  -2.547
  230    HG2  LYS  30           HG2      LYS  30   2.358   5.336  -3.272
  231    HG3  LYS  30           HG3      LYS  30   1.562   5.142  -1.702
  232    HD2  LYS  30           HD2      LYS  30   3.487   6.229  -0.599
  233    HD3  LYS  30           HD3      LYS  30   4.316   6.363  -2.172
  234    HE2  LYS  30           HE2      LYS  30   2.345   7.661  -3.033
  235    HE3  LYS  30           HE3      LYS  30   1.662   7.633  -1.399
  236    HZ1  LYS  30           HZ1      LYS  30   4.235   8.842  -2.181
  237    HZ2  LYS  30           HZ2      LYS  30   2.856   9.662  -1.830
  238    HZ3  LYS  30           HZ3      LYS  30   3.633   8.810  -0.650
  239    H    SER  31           H        SER  31   3.725   2.073  -4.555
  240    HA   SER  31           HA       SER  31   2.431   3.830  -6.449
  241    HB2  SER  31           HB2      SER  31   4.037   2.792  -8.036
  242    HB3  SER  31           HB3      SER  31   4.822   3.405  -6.566
  243    HG   SER  31           HG       SER  31   5.519   1.290  -7.129
  244    H    ASP  32           H        ASP  32   1.593   0.786  -5.191
  245    HA   ASP  32           HA       ASP  32   0.174  -0.025  -7.657
  246    HB2  ASP  32           HB2      ASP  32   1.001  -1.333  -5.087
  247    HB3  ASP  32           HB3      ASP  32  -0.493  -1.888  -5.821
  248    H    VAL  33           H        VAL  33  -0.409   1.040  -4.246
  249    HA   VAL  33           HA       VAL  33  -3.257   0.770  -4.459
  250    HB   VAL  33           HB       VAL  33  -1.579   2.543  -2.635
  251   HG11  VAL  33          HG11      VAL  33  -3.578   2.481  -1.173
  252   HG12  VAL  33          HG12      VAL  33  -3.939   3.251  -2.734
  253   HG13  VAL  33          HG13      VAL  33  -4.461   1.577  -2.428
  254   HG21  VAL  33          HG21      VAL  33  -1.035   0.129  -2.422
  255   HG22  VAL  33          HG22      VAL  33  -1.930   0.713  -1.002
  256   HG23  VAL  33          HG23      VAL  33  -2.765  -0.243  -2.250
  257    H    GLU  34           H        GLU  34  -0.981   3.444  -5.198
  258    HA   GLU  34           HA       GLU  34  -3.200   5.211  -5.876
  259    HB2  GLU  34           HB2      GLU  34  -1.562   6.861  -6.379
  260    HB3  GLU  34           HB3      GLU  34  -1.092   6.050  -4.868
  261    HG2  GLU  34           HG2      GLU  34   0.499   4.645  -6.170
  262    HG3  GLU  34           HG3      GLU  34   0.078   5.548  -7.633
  263    H    ALA  35           H        ALA  35  -2.222   2.527  -7.365
  264    HA   ALA  35           HA       ALA  35  -2.687   3.656 -10.086
  265    HB1  ALA  35           HB1      ALA  35  -1.390   1.725 -10.919
  266    HB2  ALA  35           HB2      ALA  35  -0.427   2.714  -9.798
  267    HB3  ALA  35           HB3      ALA  35  -1.135   1.176  -9.246
  268    H    ILE  36           H        ILE  36  -3.958   1.757  -7.561
  269    HA   ILE  36           HA       ILE  36  -5.696   0.173  -9.382
  270    HB   ILE  36           HB       ILE  36  -4.981  -0.012  -6.440
  271   HG12  ILE  36          HG12      ILE  36  -4.618  -2.090  -8.634
  272   HG13  ILE  36          HG13      ILE  36  -3.416  -0.829  -8.358
  273   HG21  ILE  36          HG21      ILE  36  -6.348  -2.106  -6.411
  274   HG22  ILE  36          HG22      ILE  36  -7.340  -0.663  -6.664
  275   HG23  ILE  36          HG23      ILE  36  -6.932  -1.717  -8.040
  276   HD11  ILE  36          HD11      ILE  36  -2.753  -2.784  -7.115
  277   HD12  ILE  36          HD12      ILE  36  -3.264  -1.533  -5.958
  278   HD13  ILE  36          HD13      ILE  36  -4.344  -2.901  -6.332
  279    H    PHE  37           H        PHE  37  -5.637   2.918  -7.218
  280    HA   PHE  37           HA       PHE  37  -8.617   3.034  -7.253
  281    HB2  PHE  37           HB2      PHE  37  -6.542   4.162  -5.358
  282    HB3  PHE  37           HB3      PHE  37  -8.236   4.649  -5.340
  283    HD1  PHE  37           HD2      PHE  37  -6.115   1.543  -5.214
  284    HD2  PHE  37           HD1      PHE  37  -9.759   3.498  -4.038
  285    HE1  PHE  37           HE2      PHE  37  -6.714  -0.421  -3.838
  286    HE2  PHE  37           HE1      PHE  37 -10.360   1.539  -2.644
  287    HZ   PHE  37           HZ       PHE  37  -8.813  -0.426  -2.523
  288    H    SER  38           H        SER  38  -5.903   4.334  -8.839
  289    HA   SER  38           HA       SER  38  -6.963   7.036  -9.068
  290    HB2  SER  38           HB2      SER  38  -4.552   6.539  -9.130
  291    HB3  SER  38           HB3      SER  38  -4.775   5.650 -10.655
  292    HG   SER  38           HG       SER  38  -5.589   7.613 -11.541
  293    H    LYS  39           H        LYS  39  -7.954   4.102 -10.362
  294    HA   LYS  39           HA       LYS  39  -8.770   5.166 -12.974
  295    HB2  LYS  39           HB2      LYS  39  -9.668   2.937 -13.346
  296    HB3  LYS  39           HB3      LYS  39  -8.005   2.822 -12.740
  297    HG2  LYS  39           HG2      LYS  39  -8.825   2.307 -10.486
  298    HG3  LYS  39           HG3      LYS  39 -10.502   2.562 -11.007
  299    HD2  LYS  39           HD2      LYS  39 -10.288   0.687 -12.618
  300    HD3  LYS  39           HD3      LYS  39  -8.629   0.392 -12.044
  301    HE2  LYS  39           HE2      LYS  39  -9.475  -0.019  -9.769
  302    HE3  LYS  39           HE3      LYS  39 -11.112   0.391 -10.283
  303    HZ1  LYS  39           HZ1      LYS  39 -11.049  -1.498 -11.772
  304    HZ2  LYS  39           HZ2      LYS  39  -9.534  -1.896 -11.257
  305    HZ3  LYS  39           HZ3      LYS  39 -10.808  -1.959 -10.214
  306    H    TYR  40           H        TYR  40  -9.908   5.427  -9.824
  307    HA   TYR  40           HA       TYR  40 -12.726   5.728 -10.752
  308    HB2  TYR  40           HB2      TYR  40 -11.528   4.506  -8.285
  309    HB3  TYR  40           HB3      TYR  40 -13.084   5.322  -8.147
  310    HD1  TYR  40           HD1      TYR  40 -14.650   4.727 -10.385
  311    HD2  TYR  40           HD2      TYR  40 -11.783   2.186  -8.431
  312    HE1  TYR  40           HE1      TYR  40 -15.869   2.735 -11.209
  313    HE2  TYR  40           HE2      TYR  40 -13.007   0.179  -9.264
  314    HH   TYR  40           HH       TYR  40 -15.962   0.448 -11.261
  315    H    GLY  41           H        GLY  41 -10.016   7.484  -9.833
  316    HA2  GLY  41           HA2      GLY  41 -11.426   9.904  -9.752
  317    HA3  GLY  41           HA3      GLY  41 -11.215   9.389  -8.070
  318    H    LYS  42           H        LYS  42 -10.130  11.745  -8.872
  319    HA   LYS  42           HA       LYS  42  -7.314  11.412  -9.551
  320    HB2  LYS  42           HB2      LYS  42  -8.421  13.432 -10.282
  321    HB3  LYS  42           HB3      LYS  42  -9.037  13.753  -8.649
  322    HG2  LYS  42           HG2      LYS  42  -7.141  15.226  -9.162
  323    HG3  LYS  42           HG3      LYS  42  -6.785  14.145  -7.810
  324    HD2  LYS  42           HD2      LYS  42  -5.555  12.631  -9.418
  325    HD3  LYS  42           HD3      LYS  42  -5.797  13.874 -10.672
  326    HE2  LYS  42           HE2      LYS  42  -4.654  15.528  -9.217
  327    HE3  LYS  42           HE3      LYS  42  -4.426  14.286  -7.979
  328    HZ1  LYS  42           HZ1      LYS  42  -3.076  13.058  -9.528
  329    HZ2  LYS  42           HZ2      LYS  42  -3.317  14.184 -10.705
  330    HZ3  LYS  42           HZ3      LYS  42  -2.475  14.580  -9.351
  331    H    ILE  43           H        ILE  43  -5.945  10.553  -8.095
  332    HA   ILE  43           HA       ILE  43  -6.455  10.892  -5.218
  333    HB   ILE  43           HB       ILE  43  -4.264   9.433  -6.749
  334   HG12  ILE  43          HG12      ILE  43  -6.774   8.488  -5.300
  335   HG13  ILE  43          HG13      ILE  43  -6.509   8.461  -7.048
  336   HG21  ILE  43          HG21      ILE  43  -4.955   9.446  -3.780
  337   HG22  ILE  43          HG22      ILE  43  -3.694   8.453  -4.558
  338   HG23  ILE  43          HG23      ILE  43  -3.523  10.208  -4.511
  339   HD11  ILE  43          HD11      ILE  43  -6.193   6.235  -6.106
  340   HD12  ILE  43          HD12      ILE  43  -4.654   6.846  -6.757
  341   HD13  ILE  43          HD13      ILE  43  -4.950   6.833  -5.000
  342    H    VAL  44           H        VAL  44  -5.589  12.440  -4.005
  343    HA   VAL  44           HA       VAL  44  -3.312  14.003  -5.129
  344    HB   VAL  44           HB       VAL  44  -4.212  15.876  -3.680
  345   HG11  VAL  44          HG11      VAL  44  -5.828  16.564  -5.372
  346   HG12  VAL  44          HG12      VAL  44  -4.462  15.748  -6.164
  347   HG13  VAL  44          HG13      VAL  44  -5.999  14.885  -5.942
  348   HG21  VAL  44          HG21      VAL  44  -6.588  15.807  -3.083
  349   HG22  VAL  44          HG22      VAL  44  -6.734  14.162  -3.734
  350   HG23  VAL  44          HG23      VAL  44  -5.732  14.461  -2.289
  351    H    GLY  45           H        GLY  45  -4.016  11.657  -2.962
  352    HA2  GLY  45           HA2      GLY  45  -1.466  11.947  -1.677
  353    HA3  GLY  45           HA3      GLY  45  -2.782  12.304  -0.545
  354    H    CYS  46           H        CYS  46  -0.824   9.956  -0.752
  355    HA   CYS  46           HA       CYS  46  -2.841   7.877  -0.296
  356    HB2  CYS  46           HB2      CYS  46  -2.436   7.755  -2.732
  357    HB3  CYS  46           HB3      CYS  46  -0.688   7.626  -2.440
  358    HG   CYS  46           HG       CYS  46  -3.056   5.638  -1.265
  359    H    SER  47           H        SER  47  -2.115   6.225   1.029
  360    HA   SER  47           HA       SER  47   0.750   5.975   1.599
  361    HB2  SER  47           HB2      SER  47   0.466   6.112   4.016
  362    HB3  SER  47           HB3      SER  47  -0.021   7.647   3.269
  363    HG   SER  47           HG       SER  47  -2.135   7.111   3.596
  364    H    VAL  48           H        VAL  48   1.240   3.954   2.668
  365    HA   VAL  48           HA       VAL  48  -0.984   2.023   2.820
  366    HB   VAL  48           HB       VAL  48  -0.319   1.749   0.554
  367   HG11  VAL  48          HG11      VAL  48   2.555   1.607   1.540
  368   HG12  VAL  48          HG12      VAL  48   2.004   1.244  -0.112
  369   HG13  VAL  48          HG13      VAL  48   1.822   2.885   0.532
  370   HG21  VAL  48          HG21      VAL  48  -0.645  -0.336   1.871
  371   HG22  VAL  48          HG22      VAL  48   0.467  -0.535   0.501
  372   HG23  VAL  48          HG23      VAL  48   1.114  -0.402   2.155
  373    H    HIS  49           H        HIS  49  -0.617   0.304   4.188
  374    HA   HIS  49           HA       HIS  49   1.782   0.497   5.931
  375    HB2  HIS  49           HB2      HIS  49  -1.069   0.396   6.969
  376    HB3  HIS  49           HB3      HIS  49   0.405   0.750   7.877
  377    HD2  HIS  49           HD3      HIS  49  -2.175   2.326   5.507
  378    HE1  HIS  49           HE1      HIS  49   0.298   5.514   6.843
  379    HE2  HIS  49           HE2      HIS  49  -1.792   4.922   5.520
  380    H    LYS  50           H        LYS  50   1.142  -1.359   7.826
  381    HA   LYS  50           HA       LYS  50   0.801  -3.830   6.277
  382    HB2  LYS  50           HB2      LYS  50   1.536  -3.164   9.134
  383    HB3  LYS  50           HB3      LYS  50   1.100  -4.822   8.675
  384    HG2  LYS  50           HG2      LYS  50   3.215  -3.227   7.185
  385    HG3  LYS  50           HG3      LYS  50   3.597  -4.234   8.595
  386    HD2  LYS  50           HD2      LYS  50   2.743  -6.222   7.516
  387    HD3  LYS  50           HD3      LYS  50   2.159  -5.301   6.120
  388    HE2  LYS  50           HE2      LYS  50   5.079  -5.421   6.949
  389    HE3  LYS  50           HE3      LYS  50   4.346  -6.524   5.777
  390    HZ1  LYS  50           HZ1      LYS  50   4.374  -3.593   5.501
  391    HZ2  LYS  50           HZ2      LYS  50   5.390  -4.622   4.720
  392    HZ3  LYS  50           HZ3      LYS  50   3.776  -4.668   4.410
  393    H    GLY  51           H        GLY  51  -0.965  -4.964   6.076
  394    HA2  GLY  51           HA2      GLY  51  -3.052  -5.833   6.457
  395    HA3  GLY  51           HA3      GLY  51  -3.099  -4.994   8.010
  396    H    PHE  52           H        PHE  52  -2.492  -2.375   6.223
  397    HA   PHE  52           HA       PHE  52  -5.079  -2.119   4.896
  398    HB2  PHE  52           HB2      PHE  52  -5.848  -0.241   6.249
  399    HB3  PHE  52           HB3      PHE  52  -5.707  -1.695   7.231
  400    HD1  PHE  52           HD2      PHE  52  -3.883  -1.907   8.910
  401    HD2  PHE  52           HD1      PHE  52  -4.476   1.694   6.635
  402    HE1  PHE  52           HE2      PHE  52  -2.428  -0.673  10.487
  403    HE2  PHE  52           HE1      PHE  52  -3.026   2.930   8.210
  404    HZ   PHE  52           HZ       PHE  52  -1.994   1.747  10.142
  405    H    ALA  53           H        ALA  53  -5.387   0.153   4.032
  406    HA   ALA  53           HA       ALA  53  -2.957   1.768   3.713
  407    HB1  ALA  53           HB1      ALA  53  -4.423   0.535   1.344
  408    HB2  ALA  53           HB2      ALA  53  -3.098   1.722   1.259
  409    HB3  ALA  53           HB3      ALA  53  -2.795   0.094   1.906
  410    H    PHE  54           H        PHE  54  -3.527   3.794   2.373
  411    HA   PHE  54           HA       PHE  54  -6.381   4.567   2.642
  412    HB2  PHE  54           HB2      PHE  54  -4.013   5.781   4.037
  413    HB3  PHE  54           HB3      PHE  54  -5.300   6.841   3.460
  414    HD1  PHE  54           HD1      PHE  54  -7.659   6.470   4.176
  415    HD2  PHE  54           HD2      PHE  54  -4.327   4.515   6.072
  416    HE1  PHE  54           HE1      PHE  54  -9.077   5.974   6.148
  417    HE2  PHE  54           HE2      PHE  54  -5.744   4.016   8.037
  418    HZ   PHE  54           HZ       PHE  54  -8.124   4.744   8.073
  419    H    VAL  55           H        VAL  55  -7.101   6.072   1.231
  420    HA   VAL  55           HA       VAL  55  -5.185   7.247  -0.715
  421    HB   VAL  55           HB       VAL  55  -7.730   5.709  -1.380
  422   HG11  VAL  55          HG11      VAL  55  -5.908   7.414  -3.125
  423   HG12  VAL  55          HG12      VAL  55  -7.189   6.332  -3.735
  424   HG13  VAL  55          HG13      VAL  55  -7.612   7.738  -2.748
  425   HG21  VAL  55          HG21      VAL  55  -5.739   4.285  -1.059
  426   HG22  VAL  55          HG22      VAL  55  -6.192   4.355  -2.777
  427   HG23  VAL  55          HG23      VAL  55  -4.819   5.315  -2.184
  428    H    GLN  56           H        GLN  56  -5.459   9.360  -0.754
  429    HA   GLN  56           HA       GLN  56  -7.982  10.517   0.290
  430    HB2  GLN  56           HB2      GLN  56  -5.942  11.106   1.469
  431    HB3  GLN  56           HB3      GLN  56  -5.166  11.600  -0.042
  432    HG2  GLN  56           HG2      GLN  56  -5.843  13.572   1.147
  433    HG3  GLN  56           HG3      GLN  56  -6.876  13.419  -0.273
  434   HE21  GLN  56          HE21      GLN  56  -9.096  13.035  -0.007
  435   HE22  GLN  56          HE22      GLN  56  -9.885  13.040   1.549
  436    H    TYR  57           H        TYR  57  -9.403  10.938  -1.338
  437    HA   TYR  57           HA       TYR  57  -8.453  11.734  -4.012
  438    HB2  TYR  57           HB2      TYR  57 -11.215  11.202  -2.854
  439    HB3  TYR  57           HB3      TYR  57 -10.934  11.782  -4.482
  440    HD1  TYR  57           HD1      TYR  57  -8.819  10.270  -5.619
  441    HD2  TYR  57           HD2      TYR  57 -11.848   8.984  -2.857
  442    HE1  TYR  57           HE1      TYR  57  -8.733   7.995  -6.600
  443    HE2  TYR  57           HE2      TYR  57 -11.769   6.692  -3.847
  444    HH   TYR  57           HH       TYR  57  -9.611   5.885  -6.568
  445    H    VAL  58           H        VAL  58 -10.146  13.497  -4.968
  446    HA   VAL  58           HA       VAL  58  -9.464  15.942  -3.524
  447    HB   VAL  58           HB       VAL  58 -10.873  15.441  -6.179
  448   HG11  VAL  58          HG11      VAL  58  -9.785  18.022  -4.975
  449   HG12  VAL  58          HG12      VAL  58 -10.368  17.826  -6.645
  450   HG13  VAL  58          HG13      VAL  58 -11.500  17.659  -5.295
  451   HG21  VAL  58          HG21      VAL  58  -8.506  14.723  -6.126
  452   HG22  VAL  58          HG22      VAL  58  -8.710  16.163  -7.143
  453   HG23  VAL  58          HG23      VAL  58  -8.040  16.328  -5.505
  454    H    ASN  59           H        ASN  59 -12.298  13.918  -4.091
  455    HA   ASN  59           HA       ASN  59 -13.888  15.628  -2.290
  456    HB2  ASN  59           HB2      ASN  59 -15.741  15.829  -3.889
  457    HB3  ASN  59           HB3      ASN  59 -14.276  16.622  -4.486
  458   HD21  ASN  59          HD21      ASN  59 -13.927  16.293  -6.594
  459   HD22  ASN  59          HD22      ASN  59 -14.360  14.832  -7.480
  460    H    GLU  60           H        GLU  60 -16.194  14.633  -2.095
  461    HA   GLU  60           HA       GLU  60 -15.831  11.965  -1.078
  462    HB2  GLU  60           HB2      GLU  60 -17.303  13.404   0.099
  463    HB3  GLU  60           HB3      GLU  60 -18.144  13.905  -1.382
  464    HG2  GLU  60           HG2      GLU  60 -19.205  11.757  -1.619
  465    HG3  GLU  60           HG3      GLU  60 -18.219  11.055  -0.335
  466    H    ARG  61           H        ARG  61 -17.252  13.307  -4.039
  467    HA   ARG  61           HA       ARG  61 -18.736  11.044  -4.880
  468    HB2  ARG  61           HB2      ARG  61 -19.232  12.868  -6.122
  469    HB3  ARG  61           HB3      ARG  61 -17.636  13.567  -5.946
  470    HG2  ARG  61           HG2      ARG  61 -17.943  13.167  -8.263
  471    HG3  ARG  61           HG3      ARG  61 -16.756  12.004  -7.687
  472    HD2  ARG  61           HD2      ARG  61 -18.560  10.280  -7.532
  473    HD3  ARG  61           HD3      ARG  61 -19.730  11.478  -8.128
  474    HE   ARG  61           HE       ARG  61 -17.736  11.447 -10.055
  475   HH11  ARG  61          HH11      ARG  61 -19.829   9.001  -8.596
  476   HH12  ARG  61          HH12      ARG  61 -19.845   7.994 -10.024
  477   HH21  ARG  61          HH21      ARG  61 -17.764  10.111 -11.899
  478   HH22  ARG  61          HH22      ARG  61 -18.679   8.620 -11.886
  479    H    ASN  62           H        ASN  62 -15.286  11.870  -5.275
  480    HA   ASN  62           HA       ASN  62 -14.644   9.648  -6.972
  481    HB2  ASN  62           HB2      ASN  62 -13.088  11.538  -5.186
  482    HB3  ASN  62           HB3      ASN  62 -12.289  10.185  -6.007
  483   HD21  ASN  62          HD21      ASN  62 -14.891  12.454  -7.125
  484   HD22  ASN  62          HD22      ASN  62 -14.012  12.939  -8.569
  485    H    ALA  63           H        ALA  63 -14.798  10.080  -3.418
  486    HA   ALA  63           HA       ALA  63 -13.496   7.591  -2.814
  487    HB1  ALA  63           HB1      ALA  63 -15.444   9.229  -1.143
  488    HB2  ALA  63           HB2      ALA  63 -14.378   7.934  -0.558
  489    HB3  ALA  63           HB3      ALA  63 -13.674   9.436  -1.200
  490    H    ARG  64           H        ARG  64 -16.966   8.500  -3.238
  491    HA   ARG  64           HA       ARG  64 -17.992   5.913  -2.522
  492    HB2  ARG  64           HB2      ARG  64 -19.131   7.989  -4.436
  493    HB3  ARG  64           HB3      ARG  64 -20.033   6.676  -3.677
  494    HG2  ARG  64           HG2      ARG  64 -18.713   8.995  -2.198
  495    HG3  ARG  64           HG3      ARG  64 -20.433   8.872  -2.598
  496    HD2  ARG  64           HD2      ARG  64 -20.640   6.866  -1.194
  497    HD3  ARG  64           HD3      ARG  64 -18.899   6.938  -0.821
  498    HE   ARG  64           HE       ARG  64 -20.004   9.448  -0.171
  499   HH11  ARG  64          HH11      ARG  64 -20.339   6.094   0.927
  500   HH12  ARG  64          HH12      ARG  64 -20.691   6.575   2.575
  501   HH21  ARG  64          HH21      ARG  64 -20.495  10.009   1.953
  502   HH22  ARG  64          HH22      ARG  64 -20.812   8.773   3.148
  503    H    ALA  65           H        ALA  65 -16.459   7.166  -5.433
  504    HA   ALA  65           HA       ALA  65 -17.532   5.205  -7.241
  505    HB1  ALA  65           HB1      ALA  65 -14.926   6.778  -7.373
  506    HB2  ALA  65           HB2      ALA  65 -15.748   5.977  -8.726
  507    HB3  ALA  65           HB3      ALA  65 -16.516   7.369  -7.931
  508    H    ALA  66           H        ALA  66 -14.549   5.345  -5.201
  509    HA   ALA  66           HA       ALA  66 -13.772   2.692  -6.233
  510    HB1  ALA  66           HB1      ALA  66 -11.727   3.059  -4.962
  511    HB2  ALA  66           HB2      ALA  66 -12.105   4.458  -5.993
  512    HB3  ALA  66           HB3      ALA  66 -12.419   4.533  -4.239
  513    H    VAL  67           H        VAL  67 -15.171   4.132  -3.308
  514    HA   VAL  67           HA       VAL  67 -14.787   1.816  -1.642
  515    HB   VAL  67           HB       VAL  67 -16.580   4.257  -1.499
  516   HG11  VAL  67          HG11      VAL  67 -16.461   1.909   0.427
  517   HG12  VAL  67          HG12      VAL  67 -17.168   3.506   0.807
  518   HG13  VAL  67          HG13      VAL  67 -17.885   2.491  -0.461
  519   HG21  VAL  67          HG21      VAL  67 -15.136   4.781   0.396
  520   HG22  VAL  67          HG22      VAL  67 -14.302   3.219   0.228
  521   HG23  VAL  67          HG23      VAL  67 -14.136   4.453  -1.040
  522    H    ALA  68           H        ALA  68 -17.065   2.613  -4.176
  523    HA   ALA  68           HA       ALA  68 -18.506   0.075  -3.548
  524    HB1  ALA  68           HB1      ALA  68 -19.373   2.417  -5.279
  525    HB2  ALA  68           HB2      ALA  68 -20.328   0.963  -4.925
  526    HB3  ALA  68           HB3      ALA  68 -19.916   2.094  -3.618
  527    H    GLY  69           H        GLY  69 -16.099   1.370  -5.612
  528    HA2  GLY  69           HA2      GLY  69 -16.843  -0.350  -7.901
  529    HA3  GLY  69           HA3      GLY  69 -15.586   0.894  -7.845
  530    H    GLU  70           H        GLU  70 -14.514  -0.282  -5.212
  531    HA   GLU  70           HA       GLU  70 -13.073  -2.613  -6.442
  532    HB2  GLU  70           HB2      GLU  70 -12.063  -0.346  -4.686
  533    HB3  GLU  70           HB3      GLU  70 -11.120  -1.789  -5.094
  534    HG2  GLU  70           HG2      GLU  70 -12.262   0.123  -7.170
  535    HG3  GLU  70           HG3      GLU  70 -10.632   0.244  -6.502
  536    H    ASP  71           H        ASP  71 -14.997  -1.514  -3.756
  537    HA   ASP  71           HA       ASP  71 -13.795  -3.036  -1.696
  538    HB2  ASP  71           HB2      ASP  71 -15.448  -1.365  -1.208
  539    HB3  ASP  71           HB3      ASP  71 -16.666  -2.191  -2.188
  540    H    GLY  72           H        GLY  72 -13.691  -5.136  -1.228
  541    HA2  GLY  72           HA2      GLY  72 -14.366  -7.346  -1.091
  542    HA3  GLY  72           HA3      GLY  72 -15.721  -7.017  -2.180
  543    H    ARG  73           H        ARG  73 -12.676  -5.846  -3.387
  544    HA   ARG  73           HA       ARG  73 -12.723  -8.004  -5.392
  545    HB2  ARG  73           HB2      ARG  73 -11.501  -6.655  -6.797
  546    HB3  ARG  73           HB3      ARG  73 -12.575  -5.513  -5.960
  547    HG2  ARG  73           HG2      ARG  73 -10.785  -4.671  -4.617
  548    HG3  ARG  73           HG3      ARG  73  -9.728  -6.038  -4.997
  549    HD2  ARG  73           HD2      ARG  73 -10.720  -4.120  -7.123
  550    HD3  ARG  73           HD3      ARG  73  -9.214  -3.880  -6.218
  551    HE   ARG  73           HE       ARG  73  -9.276  -6.532  -7.287
  552   HH11  ARG  73          HH11      ARG  73  -8.842  -3.169  -8.311
  553   HH12  ARG  73          HH12      ARG  73  -7.809  -3.600  -9.652
  554   HH21  ARG  73          HH21      ARG  73  -7.940  -7.054  -9.042
  555   HH22  ARG  73          HH22      ARG  73  -7.323  -5.798 -10.084
  556    H    MET  74           H        MET  74 -10.692  -9.036  -6.106
  557    HA   MET  74           HA       MET  74  -8.944  -9.573  -3.778
  558    HB2  MET  74           HB2      MET  74  -9.910 -11.531  -4.706
  559    HB3  MET  74           HB3      MET  74  -9.421 -11.095  -6.356
  560    HG2  MET  74           HG2      MET  74  -7.144 -11.467  -5.935
  561    HG3  MET  74           HG3      MET  74  -7.344 -11.358  -4.181
  562    HE1  MET  74           HE1      MET  74  -7.988 -13.054  -2.628
  563    HE2  MET  74           HE2      MET  74  -9.614 -13.155  -3.327
  564    HE3  MET  74           HE3      MET  74  -8.693 -14.648  -3.002
  565    H    ILE  75           H        ILE  75  -6.836  -9.132  -3.722
  566    HA   ILE  75           HA       ILE  75  -5.393  -8.324  -6.161
  567    HB   ILE  75           HB       ILE  75  -5.370  -6.715  -3.571
  568   HG12  ILE  75          HG12      ILE  75  -6.513  -5.945  -6.296
  569   HG13  ILE  75          HG13      ILE  75  -7.484  -6.412  -4.886
  570   HG21  ILE  75          HG21      ILE  75  -4.016  -6.203  -6.248
  571   HG22  ILE  75          HG22      ILE  75  -3.937  -5.150  -4.817
  572   HG23  ILE  75          HG23      ILE  75  -3.208  -6.756  -4.763
  573   HD11  ILE  75          HD11      ILE  75  -6.497  -4.501  -3.612
  574   HD12  ILE  75          HD12      ILE  75  -5.690  -3.975  -5.110
  575   HD13  ILE  75          HD13      ILE  75  -7.464  -4.016  -5.016
  576    H    ALA  76           H        ALA  76  -3.319  -9.134  -6.128
  577    HA   ALA  76           HA       ALA  76  -1.626 -10.483  -5.522
  578    HB1  ALA  76           HB1      ALA  76  -1.954  -9.049  -2.873
  579    HB2  ALA  76           HB2      ALA  76  -0.490  -9.888  -3.436
  580    HB3  ALA  76           HB3      ALA  76  -1.071  -8.436  -4.288
  581    H    GLY  77           H        GLY  77  -4.542 -11.444  -4.678
  582    HA2  GLY  77           HA2      GLY  77  -4.898 -13.790  -4.384
  583    HA3  GLY  77           HA3      GLY  77  -3.449 -13.880  -3.376
  584    H    GLN  78           H        GLN  78  -5.067 -11.104  -2.371
  585    HA   GLN  78           HA       GLN  78  -6.904 -12.585  -0.549
  586    HB2  GLN  78           HB2      GLN  78  -4.929 -10.402   0.207
  587    HB3  GLN  78           HB3      GLN  78  -6.303 -10.892   1.209
  588    HG2  GLN  78           HG2      GLN  78  -5.013 -12.445   2.135
  589    HG3  GLN  78           HG3      GLN  78  -5.046 -13.319   0.596
  590   HE21  GLN  78          HE21      GLN  78  -3.362 -12.564  -1.054
  591   HE22  GLN  78          HE22      GLN  78  -1.765 -12.191  -0.430
  592    H    VAL  79           H        VAL  79  -8.677 -11.340   0.235
  593    HA   VAL  79           HA       VAL  79  -9.464  -9.174  -1.634
  594    HB   VAL  79           HB       VAL  79 -11.067 -10.771   0.393
  595   HG11  VAL  79          HG11      VAL  79 -11.975  -8.624  -1.575
  596   HG12  VAL  79          HG12      VAL  79 -13.052  -9.692  -0.659
  597   HG13  VAL  79          HG13      VAL  79 -12.031  -8.524   0.200
  598   HG21  VAL  79          HG21      VAL  79 -10.406 -12.033  -1.627
  599   HG22  VAL  79          HG22      VAL  79 -12.148 -11.686  -1.639
  600   HG23  VAL  79          HG23      VAL  79 -11.042 -10.728  -2.657
  601    H    LEU  80           H        LEU  80 -10.138  -7.177  -0.931
  602    HA   LEU  80           HA       LEU  80  -9.255  -6.421   1.814
  603    HB2  LEU  80           HB2      LEU  80  -8.950  -4.105   0.539
  604    HB3  LEU  80           HB3      LEU  80  -7.648  -5.253   0.793
  605    HG   LEU  80           HG       LEU  80  -7.609  -4.295  -1.429
  606   HD11  LEU  80          HD11      LEU  80  -6.824  -6.678  -0.992
  607   HD12  LEU  80          HD12      LEU  80  -8.316  -7.221  -1.804
  608   HD13  LEU  80          HD13      LEU  80  -7.167  -6.230  -2.677
  609   HD21  LEU  80          HD21      LEU  80 -10.078  -3.989  -1.665
  610   HD22  LEU  80          HD22      LEU  80 -10.233  -5.727  -1.976
  611   HD23  LEU  80          HD23      LEU  80  -9.285  -4.710  -3.087
  612    H    ASP  81           H        ASP  81 -10.427  -5.013   2.948
  613    HA   ASP  81           HA       ASP  81 -13.244  -4.721   2.065
  614    HB2  ASP  81           HB2      ASP  81 -12.779  -5.927   4.178
  615    HB3  ASP  81           HB3      ASP  81 -11.893  -4.525   4.787
  616    H    ILE  82           H        ILE  82 -13.568  -2.825   1.014
  617    HA   ILE  82           HA       ILE  82 -11.978  -0.467   1.876
  618    HB   ILE  82           HB       ILE  82 -13.437  -1.091  -0.703
  619   HG12  ILE  82          HG12      ILE  82 -10.441  -0.827  -0.201
  620   HG13  ILE  82          HG13      ILE  82 -11.283  -2.384  -0.133
  621   HG21  ILE  82          HG21      ILE  82 -11.628   1.253   0.006
  622   HG22  ILE  82          HG22      ILE  82 -12.376   0.955  -1.581
  623   HG23  ILE  82          HG23      ILE  82 -13.395   1.339  -0.187
  624   HD11  ILE  82          HD11      ILE  82 -12.066  -2.142  -2.415
  625   HD12  ILE  82          HD12      ILE  82 -11.266  -0.553  -2.560
  626   HD13  ILE  82          HD13      ILE  82 -10.293  -2.027  -2.354
  627    H    ASN  83           H        ASN  83 -12.962   1.434   2.481
  628    HA   ASN  83           HA       ASN  83 -15.883   1.657   2.396
  629    HB2  ASN  83           HB2      ASN  83 -15.223   0.140   4.368
  630    HB3  ASN  83           HB3      ASN  83 -14.474   1.573   5.090
  631   HD21  ASN  83          HD21      ASN  83 -15.864   3.291   5.879
  632   HD22  ASN  83          HD22      ASN  83 -17.578   3.007   6.072
  633    H    LEU  84           H        LEU  84 -16.624   3.762   3.298
  634    HA   LEU  84           HA       LEU  84 -14.905   5.955   2.691
  635    HB2  LEU  84           HB2      LEU  84 -17.632   5.495   3.409
  636    HB3  LEU  84           HB3      LEU  84 -16.987   6.592   4.631
  637    HG   LEU  84           HG       LEU  84 -18.062   7.758   2.739
  638   HD11  LEU  84          HD11      LEU  84 -15.061   8.240   2.903
  639   HD12  LEU  84          HD12      LEU  84 -16.304   9.392   2.366
  640   HD13  LEU  84          HD13      LEU  84 -16.279   8.842   4.056
  641   HD21  LEU  84          HD21      LEU  84 -17.064   7.832   0.545
  642   HD22  LEU  84          HD22      LEU  84 -17.404   6.129   0.947
  643   HD23  LEU  84          HD23      LEU  84 -15.744   6.766   1.037
  644    H    ALA  85           H        ALA  85 -13.759   7.379   4.161
  645    HA   ALA  85           HA       ALA  85 -12.573   5.846   6.303
  646    HB1  ALA  85           HB1      ALA  85 -12.101   8.711   5.429
  647    HB2  ALA  85           HB2      ALA  85 -11.057   7.756   6.511
  648    HB3  ALA  85           HB3      ALA  85 -11.245   7.279   4.805
  649    H    ALA  86           H        ALA  86 -15.398   7.620   6.284
  650    HA   ALA  86           HA       ALA  86 -15.160   8.124   9.207
  651    HB1  ALA  86           HB1      ALA  86 -16.527   9.908   7.156
  652    HB2  ALA  86           HB2      ALA  86 -16.487  10.171   8.918
  653    HB3  ALA  86           HB3      ALA  86 -14.984  10.252   7.977
  654    H    GLU  87           H        GLU  87 -16.439   6.007   7.227
  655    HA   GLU  87           HA       GLU  87 -19.046   5.982   8.652
  656    HB2  GLU  87           HB2      GLU  87 -18.706   5.461   5.680
  657    HB3  GLU  87           HB3      GLU  87 -20.215   5.364   6.609
  658    HG2  GLU  87           HG2      GLU  87 -19.966   7.788   7.198
  659    HG3  GLU  87           HG3      GLU  87 -18.563   7.874   6.120
  660    HA   PRO  88           HA       PRO  88 -16.781   1.832   8.379
  661    HB2  PRO  88           HB2      PRO  88 -16.195   1.447  11.035
  662    HB3  PRO  88           HB3      PRO  88 -15.103   2.296   9.899
  663    HG2  PRO  88           HG2      PRO  88 -17.099   3.512  11.828
  664    HG3  PRO  88           HG3      PRO  88 -15.389   3.985  11.567
  665    HD2  PRO  88           HD2      PRO  88 -17.419   5.332  10.373
  666    HD3  PRO  88           HD3      PRO  88 -15.885   5.009   9.504
  667    H    LYS  89           H        LYS  89 -17.888  -0.037   8.632
  668    HA   LYS  89           HA       LYS  89 -20.225  -0.115  10.480
  669    HB2  LYS  89           HB2      LYS  89 -20.186  -0.904   7.542
  670    HB3  LYS  89           HB3      LYS  89 -21.517  -1.235   8.664
  671    HG2  LYS  89           HG2      LYS  89 -21.853   1.183   9.016
  672    HG3  LYS  89           HG3      LYS  89 -20.471   1.541   7.967
  673    HD2  LYS  89           HD2      LYS  89 -22.535   1.826   6.718
  674    HD3  LYS  89           HD3      LYS  89 -21.590   0.472   6.065
  675    HE2  LYS  89           HE2      LYS  89 -23.946  -0.142   6.160
  676    HE3  LYS  89           HE3      LYS  89 -23.018  -1.131   7.297
  677    HZ1  LYS  89           HZ1      LYS  89 -25.056  -0.302   8.259
  678    HZ2  LYS  89           HZ2      LYS  89 -23.764   0.311   9.065
  679    HZ3  LYS  89           HZ3      LYS  89 -24.601   1.254   8.006
  680    H    VAL  90           H        VAL  90 -17.346  -1.483   9.450
  681    HA   VAL  90           HA       VAL  90 -18.189  -4.274   9.999
  682    HB   VAL  90           HB       VAL  90 -15.636  -3.142   8.804
  683   HG11  VAL  90          HG11      VAL  90 -16.612  -6.015   9.134
  684   HG12  VAL  90          HG12      VAL  90 -15.212  -5.514   8.159
  685   HG13  VAL  90          HG13      VAL  90 -15.182  -5.289   9.916
  686   HG21  VAL  90          HG21      VAL  90 -17.584  -2.876   7.322
  687   HG22  VAL  90          HG22      VAL  90 -16.520  -4.158   6.715
  688   HG23  VAL  90          HG23      VAL  90 -18.017  -4.589   7.561
  689    H    ASN  91           H        ASN  91 -16.936  -5.583  11.439
  690    HA   ASN  91           HA       ASN  91 -16.601  -4.187  13.935
  691    HB2  ASN  91           HB2      ASN  91 -15.921  -7.088  13.410
  692    HB3  ASN  91           HB3      ASN  91 -16.520  -6.356  14.901
  693   HD21  ASN  91          HD21      ASN  91 -17.344  -7.542  11.696
  694   HD22  ASN  91          HD22      ASN  91 -19.084  -7.550  11.917
  695    H    ARG  92           H        ARG  92 -14.491  -4.370  11.448
  696    HA   ARG  92           HA       ARG  92 -12.248  -4.581  11.145
  697    HB2  ARG  92           HB2      ARG  92 -12.347  -3.051  13.773
  698    HB3  ARG  92           HB3      ARG  92 -10.870  -3.272  12.816
  699    HG2  ARG  92           HG2      ARG  92 -12.078  -2.303  10.835
  700    HG3  ARG  92           HG3      ARG  92 -13.442  -1.919  11.903
  701    HD2  ARG  92           HD2      ARG  92 -10.582  -0.878  12.185
  702    HD3  ARG  92           HD3      ARG  92 -11.953   0.033  11.568
  703    HE   ARG  92           HE       ARG  92 -12.987  -0.082  13.779
  704   HH11  ARG  92          HH11      ARG  92  -9.534  -0.941  13.646
  705   HH12  ARG  92          HH12      ARG  92  -9.294  -0.619  15.340
  706   HH21  ARG  92          HH21      ARG  92 -12.604   0.325  15.976
  707   HH22  ARG  92          HH22      ARG  92 -11.001   0.105  16.647
  708    H    GLY  93           H        GLY  93 -13.185  -6.941  11.825
  709    HA2  GLY  93           HA2      GLY  93 -11.979  -8.067  14.180
  710    HA3  GLY  93           HA3      GLY  93 -12.854  -8.941  12.902
  711    H    LYS  94           H        LYS  94 -10.265  -6.996  11.725
  712    HA   LYS  94           HA       LYS  94  -8.211  -7.402  10.911
  713    HB2  LYS  94           HB2      LYS  94  -8.069  -9.320  13.244
  714    HB3  LYS  94           HB3      LYS  94  -6.682  -8.686  12.337
  715    HG2  LYS  94           HG2      LYS  94  -7.158  -6.417  13.067
  716    HG3  LYS  94           HG3      LYS  94  -8.695  -6.904  13.788
  717    HD2  LYS  94           HD2      LYS  94  -6.919  -6.602  15.485
  718    HD3  LYS  94           HD3      LYS  94  -7.609  -8.233  15.465
  719    HE2  LYS  94           HE2      LYS  94  -5.233  -8.437  15.734
  720    HE3  LYS  94           HE3      LYS  94  -5.655  -9.012  14.115
  721    HZ1  LYS  94           HZ1      LYS  94  -4.930  -6.921  13.236
  722    HZ2  LYS  94           HZ2      LYS  94  -4.614  -6.324  14.741
  723    HZ3  LYS  94           HZ3      LYS  94  -3.720  -7.563  14.137
  724    H    ALA  95           H        ALA  95 -10.535  -9.654  10.414
  725    HA   ALA  95           HA       ALA  95  -8.803 -11.075   8.506
  726    HB1  ALA  95           HB1      ALA  95  -9.483 -13.300   9.347
  727    HB2  ALA  95           HB2      ALA  95  -8.604 -12.393  10.595
  728    HB3  ALA  95           HB3      ALA  95 -10.374 -12.530  10.683
  729    H    GLY  96           H        GLY  96 -11.947  -9.998   9.609
  730    HA2  GLY  96           HA2      GLY  96 -13.843  -9.643   8.372
  731    HA3  GLY  96           HA3      GLY  96 -13.035 -10.323   6.942
  732    H    VAL  97           H        VAL  97 -12.827 -12.404   9.655
  733    HA   VAL  97           HA       VAL  97 -14.544 -14.345   8.339
  734    HB   VAL  97           HB       VAL  97 -12.936 -14.403  10.925
  735   HG11  VAL  97          HG11      VAL  97 -14.333 -16.663   9.431
  736   HG12  VAL  97          HG12      VAL  97 -13.167 -16.877  10.759
  737   HG13  VAL  97          HG13      VAL  97 -14.714 -16.071  11.069
  738   HG21  VAL  97          HG21      VAL  97 -11.376 -15.785   9.590
  739   HG22  VAL  97          HG22      VAL  97 -12.420 -15.584   8.162
  740   HG23  VAL  97          HG23      VAL  97 -11.583 -14.182   8.864
  741    H    LYS  98           H        LYS  98 -14.898 -11.997  10.870
  742    HA   LYS  98           HA       LYS  98 -17.054 -13.286  12.289
  743    HB2  LYS  98           HB2      LYS  98 -16.323 -10.345  12.078
  744    HB3  LYS  98           HB3      LYS  98 -17.398 -11.057  13.289
  745    HG2  LYS  98           HG2      LYS  98 -14.423 -11.623  12.948
  746    HG3  LYS  98           HG3      LYS  98 -15.167 -10.663  14.227
  747    HD2  LYS  98           HD2      LYS  98 -15.580 -13.653  13.774
  748    HD3  LYS  98           HD3      LYS  98 -14.594 -12.905  15.040
  749    HE2  LYS  98           HE2      LYS  98 -16.622 -11.787  15.947
  750    HE3  LYS  98           HE3      LYS  98 -17.603 -12.584  14.706
  751    HZ1  LYS  98           HZ1      LYS  98 -16.026 -13.961  16.779
  752    HZ2  LYS  98           HZ2      LYS  98 -17.659 -13.787  16.770
  753    HZ3  LYS  98           HZ3      LYS  98 -16.926 -14.702  15.621
  754    H    ARG  99           H        ARG  99 -19.270 -12.819  12.261
  755    HA   ARG  99           HA       ARG  99 -20.302 -11.738   9.671
  756    HB2  ARG  99           HB2      ARG  99 -20.986 -14.147  11.302
  757    HB3  ARG  99           HB3      ARG  99 -22.344 -13.231  10.638
  758    HG2  ARG  99           HG2      ARG  99 -21.757 -14.974   9.093
  759    HG3  ARG  99           HG3      ARG  99 -21.397 -13.399   8.372
  760    HD2  ARG  99           HD2      ARG  99 -19.008 -13.690   8.863
  761    HD3  ARG  99           HD3      ARG  99 -19.352 -15.213   9.707
  762    HE   ARG  99           HE       ARG  99 -20.388 -15.242   7.012
  763   HH11  ARG  99          HH11      ARG  99 -17.381 -15.591   8.840
  764   HH12  ARG  99          HH12      ARG  99 -16.626 -16.596   7.624
  765   HH21  ARG  99          HH21      ARG  99 -19.373 -16.526   5.443
  766   HH22  ARG  99          HH22      ARG  99 -17.747 -17.117   5.705
  767    H    SER 100           H        SER 100 -22.382 -10.708   9.766
  768    HA   SER 100           HA       SER 100 -22.613  -8.905  12.058
  769    HB2  SER 100           HB2      SER 100 -22.842  -8.080   9.759
  770    HB3  SER 100           HB3      SER 100 -24.213  -9.183   9.486
  771    HG   SER 100           HG       SER 100 -24.834  -7.025  10.077
  772    H    ALA 101           H        ALA 101 -24.657  -8.575  13.206
  773    HA   ALA 101           HA       ALA 101 -25.826 -11.072  14.057
  774    HB1  ALA 101           HB1      ALA 101 -26.621  -8.188  14.632
  775    HB2  ALA 101           HB2      ALA 101 -27.174  -9.620  15.531
  776    HB3  ALA 101           HB3      ALA 101 -25.460  -9.152  15.574
  777    H    ALA 102           H        ALA 102 -26.441  -9.077  11.381
  778    HA   ALA 102           HA       ALA 102 -29.275  -9.948  11.160
  779    HB1  ALA 102           HB1      ALA 102 -27.643  -7.928   9.582
  780    HB2  ALA 102           HB2      ALA 102 -29.379  -8.252   9.371
  781    HB3  ALA 102           HB3      ALA 102 -28.785  -7.542  10.891
  782    H    GLU 103           H        GLU 103 -26.169 -10.914  10.254
  783    HA   GLU 103           HA       GLU 103 -27.201 -12.347   7.847
  784    HB2  GLU 103           HB2      GLU 103 -24.385 -11.365   8.445
  785    HB3  GLU 103           HB3      GLU 103 -24.867 -12.293   7.011
  786    HG2  GLU 103           HG2      GLU 103 -25.909  -9.537   7.777
  787    HG3  GLU 103           HG3      GLU 103 -24.689  -9.868   6.543
  788    H    MET 104           H        MET 104 -26.665 -12.818  10.987
  789    HA   MET 104           HA       MET 104 -24.927 -15.130  10.931
  790    HB2  MET 104           HB2      MET 104 -25.158 -13.554  12.829
  791    HB3  MET 104           HB3      MET 104 -26.799 -14.180  13.118
  792    HG2  MET 104           HG2      MET 104 -25.278 -15.212  14.659
  793    HG3  MET 104           HG3      MET 104 -25.788 -16.439  13.510
  794    HE1  MET 104           HE1      MET 104 -23.063 -13.524  13.114
  795    HE2  MET 104           HE2      MET 104 -22.957 -14.103  14.795
  796    HE3  MET 104           HE3      MET 104 -21.617 -14.405  13.665
  797    H    TYR 105           H        TYR 105 -25.725 -17.250  11.857
  798    HA   TYR 105           HA       TYR 105 -27.724 -18.196   9.965
  799    HB2  TYR 105           HB2      TYR 105 -26.081 -19.802  11.935
  800    HB3  TYR 105           HB3      TYR 105 -26.743 -20.325  10.384
  801    HD1  TYR 105           HD1      TYR 105 -24.249 -18.139  12.052
  802    HD2  TYR 105           HD2      TYR 105 -25.444 -19.975   8.351
  803    HE1  TYR 105           HE1      TYR 105 -22.214 -17.257  10.988
  804    HE2  TYR 105           HE2      TYR 105 -23.323 -19.203   7.295
  805    HH   TYR 105           HH       TYR 105 -20.900 -17.266   9.079
  806    H    GLY 106           H        GLY 106 -27.785 -17.237  13.221
  807    HA2  GLY 106           HA2      GLY 106 -29.443 -17.315  14.819
  808    HA3  GLY 106           HA3      GLY 106 -30.505 -18.077  13.624
  809    H5'    A   1           H5'        A   1   2.145 -13.042   8.270
  810   H5''    A   1          H5''        A   1   3.700 -12.738   7.474
  811    H4'    A   1           H4'        A   1   3.077 -12.043  10.388
  812    H3'    A   1           H3'        A   1   1.865 -10.697   8.405
  813    H2'    A   1           H2'        A   1   3.659 -10.563   6.892
  814   HO2'    A   1          HO2'        A   1   3.009  -8.379   7.394
  815    H1'    A   1           H1'        A   1   5.696  -9.721   8.856
  816    H8     A   1           H8         A   1   6.006  -9.656   5.847
  817    H61    A   1           H61        A   1   9.174 -14.882   4.779
  818    H62    A   1           H62        A   1   8.705 -13.330   4.108
  819    H2     A   1           H2         A   1   7.414 -15.232   8.751
  820    H5'    U   2           H5'        U   2   1.067  -7.230   9.197
  821   H5''    U   2          H5''        U   2   0.164  -7.040  10.713
  822    H4'    U   2           H4'        U   2  -1.257  -6.124   9.081
  823    H3'    U   2           H3'        U   2  -2.142  -8.328  10.517
  824    H2'    U   2           H2'        U   2  -1.616  -9.891   8.803
  825   HO2'    U   2          HO2'        U   2  -3.888 -10.053   9.261
  826    H1'    U   2           H1'        U   2  -2.732  -7.994   6.738
  827    H3     U   2           H3         U   2  -2.032 -11.392   3.782
  828    H5     U   2           H5         U   2   1.423 -11.447   6.177
  829    H6     U   2           H6         U   2   0.525  -9.580   7.422
  830    H5'    U   3           H5'        U   3  -6.536  -5.704  10.080
  831   H5''    U   3          H5''        U   3  -5.799  -5.770   8.457
  832    H4'    U   3           H4'        U   3  -5.733  -3.164   8.651
  833    H3'    U   3           H3'        U   3  -6.632  -3.643  11.194
  834    H2'    U   3           H2'        U   3  -8.616  -4.736  10.552
  835   HO2'    U   3          HO2'        U   3  -9.034  -2.472  11.591
  836    H1'    U   3           H1'        U   3  -9.080  -2.674   8.389
  837    H3     U   3           H3         U   3 -12.827  -4.761   7.008
  838    H5     U   3           H5         U   3 -10.539  -7.910   8.599
  839    H6     U   3           H6         U   3  -8.776  -6.296   9.073
  840    H5'    U   4           H5'        U   4  -6.169   0.901   9.632
  841   H5''    U   4          H5''        U   4  -5.358   1.192  11.186
  842    H4'    U   4           H4'        U   4  -5.882   3.333  10.215
  843    H3'    U   4           H3'        U   4  -6.937   2.505  12.776
  844    H2'    U   4           H2'        U   4  -9.152   2.637  12.066
  845   HO2'    U   4          HO2'        U   4  -8.871   4.385  13.593
  846    H1'    U   4           H1'        U   4  -8.265   4.872  10.219
  847    H3     U   4           H3         U   4 -12.337   5.771   8.578
  848    H5     U   4           H5         U   4 -12.598   1.672   9.465
  849    H6     U   4           H6         U   4 -10.328   1.768  10.321
  850    H5'    U   5           H5'        U   5  -3.930   3.432  10.463
  851   H5''    U   5          H5''        U   5  -2.564   3.582  11.582
  852    H4'    U   5           H4'        U   5  -1.712   4.233   9.481
  853    H3'    U   5           H3'        U   5  -1.608   5.995  11.567
  854    H2'    U   5           H2'        U   5  -3.545   7.231  10.992
  855   HO2'    U   5          HO2'        U   5  -1.313   8.466  10.532
  856    H1'    U   5           H1'        U   5  -2.771   7.177   8.075
  857    H3     U   5           H3         U   5  -6.653   9.047   6.794
  858    H5     U   5           H5         U   5  -7.738   6.940  10.273
  859    H6     U   5           H6         U   5  -5.436   6.210  10.471
  860    H5'    U   6           H5'        U   6   1.473   5.143   8.617
  861   H5''    U   6          H5''        U   6   2.920   5.325   9.615
  862    H4'    U   6           H4'        U   6   3.459   5.009   7.217
  863    H3'    U   6           H3'        U   6   4.728   6.766   8.876
  864    H2'    U   6           H2'        U   6   3.326   8.634   8.416
  865   HO2'    U   6          HO2'        U   6   4.502   9.964   6.907
  866    H1'    U   6           H1'        U   6   3.267   8.156   5.462
  867    H3     U   6           H3         U   6   1.060  12.105   6.097
  868    H5     U   6           H5         U   6  -1.483   9.096   7.550
  869    H6     U   6           H6         U   6   0.373   7.560   7.447
  870    H5'    C   7           H5'        C   7   4.467   4.082   8.806
  871   H5''    C   7          H5''        C   7   6.080   3.728   9.450
  872    H4'    C   7           H4'        C   7   4.764   1.698   9.474
  873    H3'    C   7           H3'        C   7   6.894   1.719   7.311
  874    H2'    C   7           H2'        C   7   6.362  -0.623   7.021
  875   HO2'    C   7          HO2'        C   7   6.125  -1.066   9.309
  876    H1'    C   7           H1'        C   7   3.636  -0.239   7.210
  877    H41    C   7           H41        C   7   4.986  -0.303   1.017
  878    H42    C   7           H42        C   7   5.644   1.326   1.082
  879    H5     C   7           H5         C   7   5.858   2.571   3.178
  880    H6     C   7           H6         C   7   5.488   2.484   5.571
  Start of MODEL    3
    1    H1   ALA   2           H        ALA   2   2.229  10.703  -6.386
    2    H2   ALA   2           H2       ALA   2   1.225   9.572  -5.714
    3    HA   ALA   2           HA       ALA   2   0.668  12.442  -5.958
    4    HB1  ALA   2           HB1      ALA   2  -1.361  11.989  -4.661
    5    HB2  ALA   2           HB2      ALA   2  -1.359  11.041  -6.158
    6    HB3  ALA   2           HB3      ALA   2  -0.960  10.257  -4.611
    7    H    SER   3           H        SER   3   0.062  13.194  -3.552
    8    HA   SER   3           HA       SER   3   2.525  13.215  -2.141
    9    HB2  SER   3           HB2      SER   3   0.804  15.024  -2.174
   10    HB3  SER   3           HB3      SER   3  -0.236  14.009  -1.150
   11    HG   SER   3           HG       SER   3   1.080  15.502   0.027
   12    H    ASN   4           H        ASN   4   2.420  12.854   0.390
   13    HA   ASN   4           HA       ASN   4   1.776   9.978   0.753
   14    HB2  ASN   4           HB2      ASN   4   3.607  11.851   2.303
   15    HB3  ASN   4           HB3      ASN   4   3.397  10.127   2.631
   16   HD21  ASN   4          HD21      ASN   4   5.913  10.806   2.297
   17   HD22  ASN   4          HD22      ASN   4   6.516  10.358   0.713
   18    H    VAL   5           H        VAL   5  -0.038  12.608   1.206
   19    HA   VAL   5           HA       VAL   5  -0.451  12.239   4.122
   20    HB   VAL   5           HB       VAL   5  -1.162  14.609   2.363
   21   HG11  VAL   5          HG11      VAL   5  -1.019  14.237   5.387
   22   HG12  VAL   5          HG12      VAL   5  -1.418  15.749   4.540
   23   HG13  VAL   5          HG13      VAL   5  -2.516  14.351   4.428
   24   HG21  VAL   5          HG21      VAL   5   0.809  15.672   3.481
   25   HG22  VAL   5          HG22      VAL   5   1.213  14.094   4.209
   26   HG23  VAL   5          HG23      VAL   5   1.268  14.312   2.444
   27    H    THR   6           H        THR   6  -2.231  11.376   4.839
   28    HA   THR   6           HA       THR   6  -4.701  11.589   3.285
   29    HB   THR   6           HB       THR   6  -5.120   9.162   3.319
   30    HG1  THR   6           HG1      THR   6  -3.820   8.609   5.094
   31   HG21  THR   6          HG21      THR   6  -3.914  10.142   1.341
   32   HG22  THR   6          HG22      THR   6  -2.377   9.671   2.111
   33   HG23  THR   6          HG23      THR   6  -3.555   8.428   1.642
   34    H    ASN   7           H        ASN   7  -3.541  12.373   6.134
   35    HA   ASN   7           HA       ASN   7  -5.667  10.959   7.654
   36    HB2  ASN   7           HB2      ASN   7  -4.307  10.804   9.561
   37    HB3  ASN   7           HB3      ASN   7  -3.350  10.235   8.205
   38   HD21  ASN   7          HD21      ASN   7  -1.723  10.656  10.035
   39   HD22  ASN   7          HD22      ASN   7  -0.968  12.238  10.054
   40    H    LYS   8           H        LYS   8  -5.683  13.749   6.310
   41    HA   LYS   8           HA       LYS   8  -5.959  15.675   8.417
   42    HB2  LYS   8           HB2      LYS   8  -6.983  15.424   5.589
   43    HB3  LYS   8           HB3      LYS   8  -7.616  16.686   6.643
   44    HG2  LYS   8           HG2      LYS   8  -5.822  17.525   5.261
   45    HG3  LYS   8           HG3      LYS   8  -5.420  17.647   6.973
   46    HD2  LYS   8           HD2      LYS   8  -4.486  15.286   5.322
   47    HD3  LYS   8           HD3      LYS   8  -3.623  16.830   5.252
   48    HE2  LYS   8           HE2      LYS   8  -4.122  15.276   7.820
   49    HE3  LYS   8           HE3      LYS   8  -2.625  15.242   6.883
   50    HZ1  LYS   8           HZ1      LYS   8  -2.393  17.594   7.244
   51    HZ2  LYS   8           HZ2      LYS   8  -3.794  17.654   8.099
   52    HZ3  LYS   8           HZ3      LYS   8  -2.515  16.806   8.686
   53    H    THR   9           H        THR   9  -8.098  16.699   9.021
   54    HA   THR   9           HA       THR   9 -10.158  14.598   9.437
   55    HB   THR   9           HB       THR   9 -10.420  15.434  11.783
   56    HG1  THR   9           HG1      THR   9  -8.626  16.556  12.623
   57   HG21  THR   9          HG21      THR   9  -7.706  14.241  11.081
   58   HG22  THR   9          HG22      THR   9  -8.542  14.127  12.644
   59   HG23  THR   9          HG23      THR   9  -9.228  13.338  11.206
   60    H    ASP  10           H        ASP  10  -9.981  16.936   7.578
   61    HA   ASP  10           HA       ASP  10 -11.829  18.919   8.572
   62    HB2  ASP  10           HB2      ASP  10 -10.851  18.227   5.777
   63    HB3  ASP  10           HB3      ASP  10 -11.849  19.624   6.163
   64    HA   PRO  11           HA       PRO  11 -15.654  16.952   8.002
   65    HB2  PRO  11           HB2      PRO  11 -17.292  18.968   7.104
   66    HB3  PRO  11           HB3      PRO  11 -16.627  18.901   8.776
   67    HG2  PRO  11           HG2      PRO  11 -15.533  20.413   6.380
   68    HG3  PRO  11           HG3      PRO  11 -15.842  21.047   8.036
   69    HD2  PRO  11           HD2      PRO  11 -13.375  20.241   7.291
   70    HD3  PRO  11           HD3      PRO  11 -13.995  19.838   8.922
   71    H    ARG  12           H        ARG  12 -13.847  17.815   5.363
   72    HA   ARG  12           HA       ARG  12 -15.736  16.423   3.532
   73    HB2  ARG  12           HB2      ARG  12 -15.283  17.930   1.728
   74    HB3  ARG  12           HB3      ARG  12 -15.837  18.846   3.128
   75    HG2  ARG  12           HG2      ARG  12 -14.095  20.154   2.376
   76    HG3  ARG  12           HG3      ARG  12 -13.278  19.191   3.619
   77    HD2  ARG  12           HD2      ARG  12 -12.415  17.675   1.845
   78    HD3  ARG  12           HD3      ARG  12 -13.310  18.598   0.624
   79    HE   ARG  12           HE       ARG  12 -11.526  20.271   2.187
   80   HH11  ARG  12          HH11      ARG  12 -11.659  18.022  -0.549
   81   HH12  ARG  12          HH12      ARG  12 -10.239  18.692  -1.314
   82   HH21  ARG  12          HH21      ARG  12  -9.673  21.116   1.161
   83   HH22  ARG  12          HH22      ARG  12  -9.117  20.434  -0.346
   84    H    SER  13           H        SER  13 -12.571  16.636   4.857
   85    HA   SER  13           HA       SER  13 -11.390  15.048   2.672
   86    HB2  SER  13           HB2      SER  13  -9.341  15.189   3.926
   87    HB3  SER  13           HB3      SER  13 -10.076  16.803   3.872
   88    HG   SER  13           HG       SER  13 -10.221  14.917   6.004
   89    H    MET  14           H        MET  14 -12.996  14.654   5.729
   90    HA   MET  14           HA       MET  14 -12.068  11.974   6.304
   91    HB2  MET  14           HB2      MET  14 -14.313  13.764   7.284
   92    HB3  MET  14           HB3      MET  14 -14.126  12.113   7.874
   93    HG2  MET  14           HG2      MET  14 -11.975  14.261   7.959
   94    HG3  MET  14           HG3      MET  14 -13.007  13.797   9.319
   95    HE1  MET  14           HE1      MET  14 -13.165  11.074   9.831
   96    HE2  MET  14           HE2      MET  14 -12.825  10.507   8.177
   97    HE3  MET  14           HE3      MET  14 -11.815   9.939   9.532
   98    H    ASN  15           H        ASN  15 -14.247  13.232   3.995
   99    HA   ASN  15           HA       ASN  15 -15.419  10.519   3.640
  100    HB2  ASN  15           HB2      ASN  15 -17.405  11.827   2.622
  101    HB3  ASN  15           HB3      ASN  15 -17.242  11.735   4.384
  102   HD21  ASN  15          HD21      ASN  15 -16.842  13.565   5.591
  103   HD22  ASN  15          HD22      ASN  15 -16.840  15.174   4.910
  104    H    SER  16           H        SER  16 -13.304  12.773   2.340
  105    HA   SER  16           HA       SER  16 -13.803  11.836  -0.430
  106    HB2  SER  16           HB2      SER  16 -12.265  13.553  -1.120
  107    HB3  SER  16           HB3      SER  16 -13.427  14.282   0.019
  108    HG   SER  16           HG       SER  16 -11.239  14.825   0.450
  109    H    ARG  17           H        ARG  17 -12.649  10.432   2.093
  110    HA   ARG  17           HA       ARG  17 -10.012   9.568   0.990
  111    HB2  ARG  17           HB2      ARG  17 -10.007  10.773   3.103
  112    HB3  ARG  17           HB3      ARG  17 -11.114   9.591   3.817
  113    HG2  ARG  17           HG2      ARG  17  -9.417   7.811   3.566
  114    HG3  ARG  17           HG3      ARG  17  -8.317   8.970   2.763
  115    HD2  ARG  17           HD2      ARG  17  -9.378   9.138   5.606
  116    HD3  ARG  17           HD3      ARG  17  -7.702   8.793   5.110
  117    HE   ARG  17           HE       ARG  17  -8.062  11.162   3.911
  118   HH11  ARG  17          HH11      ARG  17  -8.862  10.188   7.232
  119   HH12  ARG  17          HH12      ARG  17  -8.814  11.841   7.809
  120   HH21  ARG  17          HH21      ARG  17  -8.023  13.224   4.693
  121   HH22  ARG  17          HH22      ARG  17  -8.300  13.541   6.402
  122    H    VAL  18           H        VAL  18  -9.448   7.362   1.210
  123    HA   VAL  18           HA       VAL  18 -11.777   5.501   1.410
  124    HB   VAL  18           HB       VAL  18  -9.319   5.189  -0.352
  125   HG11  VAL  18          HG11      VAL  18 -10.648   3.401  -1.400
  126   HG12  VAL  18          HG12      VAL  18 -10.353   3.085   0.325
  127   HG13  VAL  18          HG13      VAL  18 -11.947   3.669  -0.213
  128   HG21  VAL  18          HG21      VAL  18 -10.651   7.055  -1.227
  129   HG22  VAL  18          HG22      VAL  18 -10.853   5.623  -2.249
  130   HG23  VAL  18          HG23      VAL  18 -12.137   6.079  -1.103
  131    H    PHE  19           H        PHE  19 -11.580   4.043   2.986
  132    HA   PHE  19           HA       PHE  19  -8.907   3.453   4.149
  133    HB2  PHE  19           HB2      PHE  19 -10.611   4.033   5.746
  134    HB3  PHE  19           HB3      PHE  19 -11.758   2.918   5.021
  135    HD1  PHE  19           HD1      PHE  19  -8.157   2.498   6.081
  136    HD2  PHE  19           HD2      PHE  19 -12.240   1.236   6.533
  137    HE1  PHE  19           HE1      PHE  19  -7.435   0.721   7.659
  138    HE2  PHE  19           HE2      PHE  19 -11.516  -0.535   8.107
  139    HZ   PHE  19           HZ       PHE  19  -9.121  -0.795   8.674
  140    H    ILE  20           H        ILE  20  -7.914   1.513   3.708
  141    HA   ILE  20           HA       ILE  20  -9.472  -0.501   2.142
  142    HB   ILE  20           HB       ILE  20  -6.579   0.354   1.729
  143   HG12  ILE  20          HG12      ILE  20  -8.951   0.826  -0.123
  144   HG13  ILE  20          HG13      ILE  20  -8.321   2.046   0.996
  145   HG21  ILE  20          HG21      ILE  20  -6.689  -1.141  -0.245
  146   HG22  ILE  20          HG22      ILE  20  -7.063  -2.049   1.230
  147   HG23  ILE  20          HG23      ILE  20  -8.374  -1.550   0.149
  148   HD11  ILE  20          HD11      ILE  20  -6.737   0.713  -1.239
  149   HD12  ILE  20          HD12      ILE  20  -7.373   2.375  -1.238
  150   HD13  ILE  20          HD13      ILE  20  -6.100   1.911  -0.088
  151    H    GLY  21           H        GLY  21  -9.852  -1.755   3.954
  152    HA2  GLY  21           HA2      GLY  21  -7.585  -2.554   5.665
  153    HA3  GLY  21           HA3      GLY  21  -9.297  -2.865   5.958
  154    H    ASN  22           H        ASN  22  -7.601  -4.870   6.414
  155    HA   ASN  22           HA       ASN  22  -7.139  -7.004   6.043
  156    HB2  ASN  22           HB2      ASN  22  -9.675  -6.886   5.851
  157    HB3  ASN  22           HB3      ASN  22  -9.462  -7.080   4.106
  158   HD21  ASN  22          HD21      ASN  22  -8.796  -9.125   3.281
  159   HD22  ASN  22          HD22      ASN  22  -8.728 -10.557   4.285
  160    H    LEU  23           H        LEU  23  -6.026  -4.905   4.086
  161    HA   LEU  23           HA       LEU  23  -5.689  -6.246   1.568
  162    HB2  LEU  23           HB2      LEU  23  -5.614  -3.790   1.931
  163    HB3  LEU  23           HB3      LEU  23  -4.129  -3.972   2.865
  164    HG   LEU  23           HG       LEU  23  -2.956  -4.806   0.857
  165   HD11  LEU  23          HD11      LEU  23  -4.061  -4.695  -1.358
  166   HD12  LEU  23          HD12      LEU  23  -4.838  -5.902  -0.323
  167   HD13  LEU  23          HD13      LEU  23  -5.607  -4.313  -0.565
  168   HD21  LEU  23          HD21      LEU  23  -2.995  -2.399   1.285
  169   HD22  LEU  23          HD22      LEU  23  -4.558  -2.240   0.448
  170   HD23  LEU  23          HD23      LEU  23  -3.106  -2.676  -0.464
  171    H    ASN  24           H        ASN  24  -3.704  -7.198   0.722
  172    HA   ASN  24           HA       ASN  24  -2.569  -9.066   2.559
  173    HB2  ASN  24           HB2      ASN  24  -1.324  -9.868   0.699
  174    HB3  ASN  24           HB3      ASN  24  -2.898  -9.363   0.060
  175   HD21  ASN  24          HD21      ASN  24  -3.006  -7.332  -1.170
  176   HD22  ASN  24          HD22      ASN  24  -1.548  -6.657  -1.864
  177    H    THR  25           H        THR  25  -1.361  -6.047   1.141
  178    HA   THR  25           HA       THR  25   0.412  -4.757   1.467
  179    HB   THR  25           HB       THR  25   0.881  -4.098   3.720
  180    HG1  THR  25           HG1      THR  25  -0.286  -6.593   4.329
  181   HG21  THR  25          HG21      THR  25  -1.402  -3.605   4.424
  182   HG22  THR  25          HG22      THR  25  -1.322  -3.551   2.649
  183   HG23  THR  25          HG23      THR  25  -2.028  -4.966   3.471
  184    H    LEU  26           H        LEU  26   1.060  -7.920   1.307
  185    HA   LEU  26           HA       LEU  26   3.921  -7.558   2.082
  186    HB2  LEU  26           HB2      LEU  26   2.557 -10.103   1.168
  187    HB3  LEU  26           HB3      LEU  26   4.163  -9.912   1.863
  188    HG   LEU  26           HG       LEU  26   1.485  -9.876   3.226
  189   HD11  LEU  26          HD11      LEU  26   2.771 -11.942   3.016
  190   HD12  LEU  26          HD12      LEU  26   4.205 -11.154   3.723
  191   HD13  LEU  26          HD13      LEU  26   2.768 -11.430   4.722
  192   HD21  LEU  26          HD21      LEU  26   4.047  -8.700   4.392
  193   HD22  LEU  26          HD22      LEU  26   2.558  -9.081   5.309
  194   HD23  LEU  26          HD23      LEU  26   2.530  -7.815   4.084
  195    H    VAL  27           H        VAL  27   1.756  -7.699  -0.625
  196    HA   VAL  27           HA       VAL  27   4.058  -7.955  -2.510
  197    HB   VAL  27           HB       VAL  27   1.164  -8.752  -2.973
  198   HG11  VAL  27          HG11      VAL  27   3.728  -9.304  -4.522
  199   HG12  VAL  27          HG12      VAL  27   2.127  -9.990  -4.897
  200   HG13  VAL  27          HG13      VAL  27   2.395  -8.246  -5.043
  201   HG21  VAL  27          HG21      VAL  27   2.107 -10.226  -1.258
  202   HG22  VAL  27          HG22      VAL  27   1.999 -11.098  -2.801
  203   HG23  VAL  27          HG23      VAL  27   3.566 -10.480  -2.243
  204    H    VAL  28           H        VAL  28   1.367  -6.064  -1.364
  205    HA   VAL  28           HA       VAL  28   1.258  -4.414  -3.781
  206    HB   VAL  28           HB       VAL  28  -0.602  -5.055  -1.926
  207   HG11  VAL  28          HG11      VAL  28   0.251  -2.233  -1.176
  208   HG12  VAL  28          HG12      VAL  28  -1.057  -3.201  -0.463
  209   HG13  VAL  28          HG13      VAL  28   0.643  -3.665  -0.195
  210   HG21  VAL  28          HG21      VAL  28  -0.993  -3.991  -4.126
  211   HG22  VAL  28          HG22      VAL  28  -1.963  -3.246  -2.839
  212   HG23  VAL  28          HG23      VAL  28  -0.510  -2.418  -3.440
  213    H    LYS  29           H        LYS  29   1.744  -2.123  -3.748
  214    HA   LYS  29           HA       LYS  29   3.481  -1.155  -1.560
  215    HB2  LYS  29           HB2      LYS  29   4.863  -0.083  -3.543
  216    HB3  LYS  29           HB3      LYS  29   5.259  -1.679  -2.913
  217    HG2  LYS  29           HG2      LYS  29   3.279  -1.539  -5.170
  218    HG3  LYS  29           HG3      LYS  29   4.979  -1.183  -5.540
  219    HD2  LYS  29           HD2      LYS  29   5.743  -3.293  -4.811
  220    HD3  LYS  29           HD3      LYS  29   4.239  -3.653  -3.949
  221    HE2  LYS  29           HE2      LYS  29   4.404  -4.935  -6.026
  222    HE3  LYS  29           HE3      LYS  29   3.018  -3.828  -6.042
  223    HZ1  LYS  29           HZ1      LYS  29   4.255  -2.336  -7.403
  224    HZ2  LYS  29           HZ2      LYS  29   5.613  -3.275  -7.332
  225    HZ3  LYS  29           HZ3      LYS  29   4.265  -3.807  -8.112
  226    H    LYS  30           H        LYS  30   3.934   1.317  -2.046
  227    HA   LYS  30           HA       LYS  30   1.408   2.629  -2.044
  228    HB2  LYS  30           HB2      LYS  30   3.450   3.623  -1.074
  229    HB3  LYS  30           HB3      LYS  30   4.152   3.771  -2.706
  230    HG2  LYS  30           HG2      LYS  30   2.186   5.161  -3.393
  231    HG3  LYS  30           HG3      LYS  30   1.549   5.040  -1.746
  232    HD2  LYS  30           HD2      LYS  30   3.520   6.246  -0.894
  233    HD3  LYS  30           HD3      LYS  30   4.215   6.275  -2.540
  234    HE2  LYS  30           HE2      LYS  30   2.044   7.386  -3.295
  235    HE3  LYS  30           HE3      LYS  30   1.655   7.602  -1.579
  236    HZ1  LYS  30           HZ1      LYS  30   4.053   8.647  -2.951
  237    HZ2  LYS  30           HZ2      LYS  30   2.732   9.535  -2.554
  238    HZ3  LYS  30           HZ3      LYS  30   3.671   8.906  -1.371
  239    H    SER  31           H        SER  31   3.744   1.965  -4.638
  240    HA   SER  31           HA       SER  31   2.502   3.686  -6.575
  241    HB2  SER  31           HB2      SER  31   4.081   2.582  -8.141
  242    HB3  SER  31           HB3      SER  31   4.872   3.170  -6.661
  243    HG   SER  31           HG       SER  31   5.496   1.029  -7.218
  244    H    ASP  32           H        ASP  32   1.573   0.673  -5.289
  245    HA   ASP  32           HA       ASP  32   0.136  -0.127  -7.749
  246    HB2  ASP  32           HB2      ASP  32   0.951  -1.415  -5.168
  247    HB3  ASP  32           HB3      ASP  32  -0.560  -1.954  -5.884
  248    H    VAL  33           H        VAL  33  -0.421   1.007  -4.357
  249    HA   VAL  33           HA       VAL  33  -3.280   0.793  -4.582
  250    HB   VAL  33           HB       VAL  33  -1.551   2.502  -2.740
  251   HG11  VAL  33          HG11      VAL  33  -4.475   1.665  -2.531
  252   HG12  VAL  33          HG12      VAL  33  -3.544   2.514  -1.278
  253   HG13  VAL  33          HG13      VAL  33  -3.877   3.314  -2.829
  254   HG21  VAL  33          HG21      VAL  33  -1.105   0.068  -2.531
  255   HG22  VAL  33          HG22      VAL  33  -1.962   0.697  -1.112
  256   HG23  VAL  33          HG23      VAL  33  -2.848  -0.230  -2.350
  257    H    GLU  34           H        GLU  34  -0.921   3.370  -5.361
  258    HA   GLU  34           HA       GLU  34  -3.091   5.200  -6.045
  259    HB2  GLU  34           HB2      GLU  34  -1.406   6.801  -6.578
  260    HB3  GLU  34           HB3      GLU  34  -0.974   6.001  -5.050
  261    HG2  GLU  34           HG2      GLU  34   0.596   4.533  -6.317
  262    HG3  GLU  34           HG3      GLU  34   0.213   5.431  -7.791
  263    H    ALA  35           H        ALA  35  -2.216   2.470  -7.492
  264    HA   ALA  35           HA       ALA  35  -2.650   3.575 -10.233
  265    HB1  ALA  35           HB1      ALA  35  -1.152   1.075  -9.369
  266    HB2  ALA  35           HB2      ALA  35  -1.402   1.623 -11.045
  267    HB3  ALA  35           HB3      ALA  35  -0.419   2.601  -9.926
  268    H    ILE  36           H        ILE  36  -3.935   1.703  -7.668
  269    HA   ILE  36           HA       ILE  36  -5.756   0.191  -9.474
  270    HB   ILE  36           HB       ILE  36  -5.040  -0.071  -6.536
  271   HG12  ILE  36          HG12      ILE  36  -4.657  -2.093  -8.775
  272   HG13  ILE  36          HG13      ILE  36  -3.447  -0.853  -8.454
  273   HG21  ILE  36          HG21      ILE  36  -6.990  -1.688  -8.240
  274   HG22  ILE  36          HG22      ILE  36  -6.440  -2.146  -6.610
  275   HG23  ILE  36          HG23      ILE  36  -7.403  -0.679  -6.835
  276   HD11  ILE  36          HD11      ILE  36  -3.324  -1.615  -6.067
  277   HD12  ILE  36          HD12      ILE  36  -4.414  -2.959  -6.479
  278   HD13  ILE  36          HD13      ILE  36  -2.813  -2.844  -7.242
  279    H    PHE  37           H        PHE  37  -5.561   2.938  -7.333
  280    HA   PHE  37           HA       PHE  37  -8.539   3.123  -7.323
  281    HB2  PHE  37           HB2      PHE  37  -6.441   4.168  -5.406
  282    HB3  PHE  37           HB3      PHE  37  -8.126   4.687  -5.380
  283    HD1  PHE  37           HD1      PHE  37  -6.059   1.535  -5.288
  284    HD2  PHE  37           HD2      PHE  37  -9.667   3.552  -4.086
  285    HE1  PHE  37           HE1      PHE  37  -6.704  -0.428  -3.934
  286    HE2  PHE  37           HE2      PHE  37 -10.324   1.571  -2.745
  287    HZ   PHE  37           HZ       PHE  37  -8.815  -0.415  -2.639
  288    H    SER  38           H        SER  38  -5.676   4.513  -8.696
  289    HA   SER  38           HA       SER  38  -6.744   7.187  -8.988
  290    HB2  SER  38           HB2      SER  38  -4.337   6.673  -9.042
  291    HB3  SER  38           HB3      SER  38  -4.562   5.751 -10.547
  292    HG   SER  38           HG       SER  38  -3.892   7.902 -10.921
  293    H    LYS  39           H        LYS  39  -7.605   4.221 -10.366
  294    HA   LYS  39           HA       LYS  39  -8.486   5.316 -12.936
  295    HB2  LYS  39           HB2      LYS  39  -9.222   3.032 -13.386
  296    HB3  LYS  39           HB3      LYS  39  -7.536   3.071 -12.830
  297    HG2  LYS  39           HG2      LYS  39  -8.358   2.554 -10.500
  298    HG3  LYS  39           HG3      LYS  39  -9.989   2.340 -11.173
  299    HD2  LYS  39           HD2      LYS  39  -7.523   0.803 -12.066
  300    HD3  LYS  39           HD3      LYS  39  -8.719   0.200 -10.889
  301    HE2  LYS  39           HE2      LYS  39 -10.499   0.383 -12.587
  302    HE3  LYS  39           HE3      LYS  39  -9.322   0.988 -13.768
  303    HZ1  LYS  39           HZ1      LYS  39  -8.158  -1.101 -13.578
  304    HZ2  LYS  39           HZ2      LYS  39  -9.240  -1.657 -12.472
  305    HZ3  LYS  39           HZ3      LYS  39  -9.719  -1.364 -14.016
  306    H    TYR  40           H        TYR  40  -9.638   5.589  -9.846
  307    HA   TYR  40           HA       TYR  40 -12.484   5.654 -10.755
  308    HB2  TYR  40           HB2      TYR  40 -11.227   4.818  -8.135
  309    HB3  TYR  40           HB3      TYR  40 -12.902   5.370  -8.224
  310    HD1  TYR  40           HD2      TYR  40 -14.592   4.130  -9.516
  311    HD2  TYR  40           HD1      TYR  40 -10.605   2.630  -8.944
  312    HE1  TYR  40           HE2      TYR  40 -15.361   1.861 -10.155
  313    HE2  TYR  40           HE1      TYR  40 -11.352   0.366  -9.618
  314    HH   TYR  40           HH       TYR  40 -13.134  -0.946 -10.230
  315    H    GLY  41           H        GLY  41  -9.824   7.567  -9.845
  316    HA2  GLY  41           HA2      GLY  41 -11.274   9.975  -9.860
  317    HA3  GLY  41           HA3      GLY  41 -11.124   9.478  -8.169
  318    H    LYS  42           H        LYS  42 -10.009  11.847  -8.906
  319    HA   LYS  42           HA       LYS  42  -7.176  11.523  -9.519
  320    HB2  LYS  42           HB2      LYS  42  -8.267  13.552 -10.252
  321    HB3  LYS  42           HB3      LYS  42  -8.911  13.853  -8.625
  322    HG2  LYS  42           HG2      LYS  42  -6.993  15.323  -9.086
  323    HG3  LYS  42           HG3      LYS  42  -6.674  14.234  -7.740
  324    HD2  LYS  42           HD2      LYS  42  -5.409  12.721  -9.311
  325    HD3  LYS  42           HD3      LYS  42  -5.633  13.944 -10.585
  326    HE2  LYS  42           HE2      LYS  42  -4.515  15.620  -9.126
  327    HE3  LYS  42           HE3      LYS  42  -4.312  14.383  -7.876
  328    HZ1  LYS  42           HZ1      LYS  42  -3.135  14.266 -10.573
  329    HZ2  LYS  42           HZ2      LYS  42  -2.325  14.637  -9.194
  330    HZ3  LYS  42           HZ3      LYS  42  -2.944  13.135  -9.394
  331    H    ILE  43           H        ILE  43  -5.815  10.668  -8.069
  332    HA   ILE  43           HA       ILE  43  -6.346  10.969  -5.191
  333    HB   ILE  43           HB       ILE  43  -4.154   9.531  -6.731
  334   HG12  ILE  43          HG12      ILE  43  -6.633   8.552  -5.255
  335   HG13  ILE  43          HG13      ILE  43  -6.397   8.547  -7.014
  336   HG21  ILE  43          HG21      ILE  43  -4.836   9.503  -3.763
  337   HG22  ILE  43          HG22      ILE  43  -3.570   8.529  -4.556
  338   HG23  ILE  43          HG23      ILE  43  -3.408  10.284  -4.485
  339   HD11  ILE  43          HD11      ILE  43  -6.041   6.305  -6.127
  340   HD12  ILE  43          HD12      ILE  43  -4.507   6.952  -6.745
  341   HD13  ILE  43          HD13      ILE  43  -4.823   6.892  -4.993
  342    H    VAL  44           H        VAL  44  -5.457  12.499  -3.956
  343    HA   VAL  44           HA       VAL  44  -3.154  14.057  -5.032
  344    HB   VAL  44           HB       VAL  44  -4.054  15.918  -3.588
  345   HG11  VAL  44          HG11      VAL  44  -5.848  14.936  -5.845
  346   HG12  VAL  44          HG12      VAL  44  -5.697  16.614  -5.267
  347   HG13  VAL  44          HG13      VAL  44  -4.321  15.816  -6.057
  348   HG21  VAL  44          HG21      VAL  44  -5.563  14.518  -2.176
  349   HG22  VAL  44          HG22      VAL  44  -6.421  15.864  -2.964
  350   HG23  VAL  44          HG23      VAL  44  -6.588  14.221  -3.606
  351    H    GLY  45           H        GLY  45  -3.865  11.679  -2.950
  352    HA2  GLY  45           HA2      GLY  45  -1.413  12.017  -1.439
  353    HA3  GLY  45           HA3      GLY  45  -2.847  12.253  -0.441
  354    H    CYS  46           H        CYS  46  -0.751   9.958  -0.754
  355    HA   CYS  46           HA       CYS  46  -2.741   7.807  -0.493
  356    HB2  CYS  46           HB2      CYS  46  -2.229   7.850  -2.927
  357    HB3  CYS  46           HB3      CYS  46  -0.496   7.709  -2.557
  358    HG   CYS  46           HG       CYS  46  -1.408   5.410  -3.396
  359    H    SER  47           H        SER  47  -2.028   6.144   0.815
  360    HA   SER  47           HA       SER  47   0.813   5.939   1.506
  361    HB2  SER  47           HB2      SER  47  -0.066   7.694   3.046
  362    HB3  SER  47           HB3      SER  47  -1.270   6.533   3.646
  363    HG   SER  47           HG       SER  47   0.720   6.660   4.880
  364    H    VAL  48           H        VAL  48   1.297   3.923   2.556
  365    HA   VAL  48           HA       VAL  48  -0.943   2.021   2.835
  366    HB   VAL  48           HB       VAL  48  -0.391   1.675   0.568
  367   HG11  VAL  48          HG11      VAL  48   2.536   1.563   1.393
  368   HG12  VAL  48          HG12      VAL  48   1.894   1.158  -0.218
  369   HG13  VAL  48          HG13      VAL  48   1.753   2.814   0.388
  370   HG21  VAL  48          HG21      VAL  48  -0.628  -0.390   1.945
  371   HG22  VAL  48          HG22      VAL  48   0.403  -0.606   0.518
  372   HG23  VAL  48          HG23      VAL  48   1.142  -0.439   2.128
  373    H    HIS  49           H        HIS  49  -0.559   0.320   4.203
  374    HA   HIS  49           HA       HIS  49   1.910   0.438   5.852
  375    HB2  HIS  49           HB2      HIS  49  -0.895   0.356   6.999
  376    HB3  HIS  49           HB3      HIS  49   0.613   0.679   7.851
  377    HD2  HIS  49           HD3      HIS  49  -2.066   2.339   5.671
  378    HE1  HIS  49           HE1      HIS  49   0.497   5.474   6.952
  379    HE2  HIS  49           HE2      HIS  49  -1.684   4.927   5.775
  380    H    LYS  50           H        LYS  50   1.308  -1.462   7.731
  381    HA   LYS  50           HA       LYS  50   0.832  -3.891   6.150
  382    HB2  LYS  50           HB2      LYS  50   1.498  -3.391   9.070
  383    HB3  LYS  50           HB3      LYS  50   1.031  -4.981   8.447
  384    HG2  LYS  50           HG2      LYS  50   2.864  -4.850   6.760
  385    HG3  LYS  50           HG3      LYS  50   3.410  -3.331   7.509
  386    HD2  LYS  50           HD2      LYS  50   3.783  -4.473   9.639
  387    HD3  LYS  50           HD3      LYS  50   3.093  -5.978   8.986
  388    HE2  LYS  50           HE2      LYS  50   4.888  -6.101   7.312
  389    HE3  LYS  50           HE3      LYS  50   5.594  -4.597   7.934
  390    HZ1  LYS  50           HZ1      LYS  50   5.917  -5.714  10.039
  391    HZ2  LYS  50           HZ2      LYS  50   5.262  -7.100   9.450
  392    HZ3  LYS  50           HZ3      LYS  50   6.679  -6.536   8.838
  393    H    GLY  51           H        GLY  51  -0.947  -5.099   6.096
  394    HA2  GLY  51           HA2      GLY  51  -3.046  -5.894   6.491
  395    HA3  GLY  51           HA3      GLY  51  -3.057  -5.018   8.028
  396    H    PHE  52           H        PHE  52  -2.500  -2.421   6.249
  397    HA   PHE  52           HA       PHE  52  -5.076  -2.178   4.893
  398    HB2  PHE  52           HB2      PHE  52  -5.868  -0.311   6.244
  399    HB3  PHE  52           HB3      PHE  52  -5.720  -1.749   7.234
  400    HD1  PHE  52           HD2      PHE  52  -3.926  -1.950   8.928
  401    HD2  PHE  52           HD1      PHE  52  -4.462   1.633   6.606
  402    HE1  PHE  52           HE2      PHE  52  -2.484  -0.703  10.512
  403    HE2  PHE  52           HE1      PHE  52  -3.020   2.871   8.184
  404    HZ   PHE  52           HZ       PHE  52  -2.012   1.698  10.142
  405    H    ALA  53           H        ALA  53  -5.366   0.061   3.993
  406    HA   ALA  53           HA       ALA  53  -2.926   1.678   3.710
  407    HB1  ALA  53           HB1      ALA  53  -4.377   0.448   1.327
  408    HB2  ALA  53           HB2      ALA  53  -3.038   1.626   1.260
  409    HB3  ALA  53           HB3      ALA  53  -2.759  -0.006   1.915
  410    H    PHE  54           H        PHE  54  -3.468   3.699   2.365
  411    HA   PHE  54           HA       PHE  54  -6.318   4.471   2.611
  412    HB2  PHE  54           HB2      PHE  54  -3.968   5.679   4.049
  413    HB3  PHE  54           HB3      PHE  54  -5.242   6.742   3.450
  414    HD1  PHE  54           HD2      PHE  54  -7.620   6.376   4.120
  415    HD2  PHE  54           HD1      PHE  54  -4.327   4.427   6.092
  416    HE1  PHE  54           HE2      PHE  54  -9.070   5.902   6.076
  417    HE2  PHE  54           HE1      PHE  54  -5.786   3.940   8.033
  418    HZ   PHE  54           HZ       PHE  54  -8.153   4.675   8.023
  419    H    VAL  55           H        VAL  55  -7.005   6.056   1.257
  420    HA   VAL  55           HA       VAL  55  -5.054   7.254  -0.636
  421    HB   VAL  55           HB       VAL  55  -7.664   5.868  -1.374
  422   HG11  VAL  55          HG11      VAL  55  -5.727   7.503  -3.056
  423   HG12  VAL  55          HG12      VAL  55  -7.080   6.527  -3.688
  424   HG13  VAL  55          HG13      VAL  55  -7.417   7.931  -2.661
  425   HG21  VAL  55          HG21      VAL  55  -5.764   4.321  -1.082
  426   HG22  VAL  55          HG22      VAL  55  -6.183   4.481  -2.801
  427   HG23  VAL  55          HG23      VAL  55  -4.769   5.340  -2.152
  428    H    GLN  56           H        GLN  56  -5.492   9.346  -1.126
  429    HA   GLN  56           HA       GLN  56  -7.896  10.557   0.159
  430    HB2  GLN  56           HB2      GLN  56  -5.814  11.072   1.341
  431    HB3  GLN  56           HB3      GLN  56  -5.076  11.658  -0.161
  432    HG2  GLN  56           HG2      GLN  56  -5.786  13.549   1.171
  433    HG3  GLN  56           HG3      GLN  56  -6.802  13.451  -0.273
  434   HE21  GLN  56          HE21      GLN  56  -8.997  13.022  -0.061
  435   HE22  GLN  56          HE22      GLN  56  -9.818  12.923   1.480
  436    H    TYR  57           H        TYR  57  -9.298  11.031  -1.395
  437    HA   TYR  57           HA       TYR  57  -8.377  11.832  -4.079
  438    HB2  TYR  57           HB2      TYR  57 -11.133  11.331  -2.912
  439    HB3  TYR  57           HB3      TYR  57 -10.829  11.871  -4.555
  440    HD1  TYR  57           HD2      TYR  57  -8.689  10.312  -5.603
  441    HD2  TYR  57           HD1      TYR  57 -11.790   9.129  -2.884
  442    HE1  TYR  57           HE2      TYR  57  -8.577   7.987  -6.497
  443    HE2  TYR  57           HE1      TYR  57 -11.693   6.799  -3.790
  444    HH   TYR  57           HH       TYR  57 -10.712   5.394  -5.255
  445    H    VAL  58           H        VAL  58 -10.009  13.628  -5.009
  446    HA   VAL  58           HA       VAL  58  -9.325  16.035  -3.503
  447    HB   VAL  58           HB       VAL  58 -10.681  15.596  -6.191
  448   HG11  VAL  58          HG11      VAL  58 -10.162  18.005  -6.586
  449   HG12  VAL  58          HG12      VAL  58 -11.342  17.787  -5.284
  450   HG13  VAL  58          HG13      VAL  58  -9.643  18.152  -4.890
  451   HG21  VAL  58          HG21      VAL  58  -8.312  14.878  -6.090
  452   HG22  VAL  58          HG22      VAL  58  -8.511  16.331  -7.092
  453   HG23  VAL  58          HG23      VAL  58  -7.865  16.476  -5.443
  454    H    ASN  59           H        ASN  59 -12.146  14.002  -4.052
  455    HA   ASN  59           HA       ASN  59 -13.758  15.715  -2.285
  456    HB2  ASN  59           HB2      ASN  59 -15.599  15.901  -3.905
  457    HB3  ASN  59           HB3      ASN  59 -14.131  16.698  -4.496
  458   HD21  ASN  59          HD21      ASN  59 -13.743  16.331  -6.605
  459   HD22  ASN  59          HD22      ASN  59 -14.186  14.871  -7.480
  460    H    GLU  60           H        GLU  60 -16.047  14.719  -2.114
  461    HA   GLU  60           HA       GLU  60 -15.721  12.061  -1.063
  462    HB2  GLU  60           HB2      GLU  60 -17.211  13.530   0.051
  463    HB3  GLU  60           HB3      GLU  60 -18.047  13.974  -1.449
  464    HG2  GLU  60           HG2      GLU  60 -19.061  11.800  -1.641
  465    HG3  GLU  60           HG3      GLU  60 -18.067  11.154  -0.331
  466    H    ARG  61           H        ARG  61 -17.122  13.379  -4.045
  467    HA   ARG  61           HA       ARG  61 -18.597  11.116  -4.885
  468    HB2  ARG  61           HB2      ARG  61 -19.098  12.943  -6.125
  469    HB3  ARG  61           HB3      ARG  61 -17.500  13.641  -5.956
  470    HG2  ARG  61           HG2      ARG  61 -17.813  13.251  -8.262
  471    HG3  ARG  61           HG3      ARG  61 -16.622  12.080  -7.700
  472    HD2  ARG  61           HD2      ARG  61 -18.438  10.358  -7.541
  473    HD3  ARG  61           HD3      ARG  61 -19.591  11.562  -8.148
  474    HE   ARG  61           HE       ARG  61 -17.621  11.549 -10.069
  475   HH11  ARG  61          HH11      ARG  61 -19.610   9.028  -8.589
  476   HH12  ARG  61          HH12      ARG  61 -19.603   8.018 -10.019
  477   HH21  ARG  61          HH21      ARG  61 -17.623  10.215 -11.914
  478   HH22  ARG  61          HH22      ARG  61 -18.489   8.696 -11.895
  479    H    ASN  62           H        ASN  62 -15.147  11.932  -5.287
  480    HA   ASN  62           HA       ASN  62 -14.523   9.704  -7.001
  481    HB2  ASN  62           HB2      ASN  62 -12.962  11.599  -5.231
  482    HB3  ASN  62           HB3      ASN  62 -12.159  10.250  -6.051
  483   HD21  ASN  62          HD21      ASN  62 -14.763  12.531  -7.146
  484   HD22  ASN  62          HD22      ASN  62 -13.910  12.988  -8.614
  485    H    ALA  63           H        ALA  63 -14.634  10.158  -3.445
  486    HA   ALA  63           HA       ALA  63 -13.360   7.649  -2.841
  487    HB1  ALA  63           HB1      ALA  63 -15.265   9.336  -1.171
  488    HB2  ALA  63           HB2      ALA  63 -14.228   8.020  -0.577
  489    HB3  ALA  63           HB3      ALA  63 -13.496   9.508  -1.230
  490    H    ARG  64           H        ARG  64 -16.808   8.624  -3.187
  491    HA   ARG  64           HA       ARG  64 -17.872   6.079  -2.427
  492    HB2  ARG  64           HB2      ARG  64 -18.964   8.179  -4.352
  493    HB3  ARG  64           HB3      ARG  64 -19.915   6.879  -3.638
  494    HG2  ARG  64           HG2      ARG  64 -18.534   9.084  -2.044
  495    HG3  ARG  64           HG3      ARG  64 -20.230   9.102  -2.542
  496    HD2  ARG  64           HD2      ARG  64 -20.645   7.049  -1.246
  497    HD3  ARG  64           HD3      ARG  64 -18.936   7.012  -0.751
  498    HE   ARG  64           HE       ARG  64 -19.958   9.564  -0.091
  499   HH11  ARG  64          HH11      ARG  64 -20.494   6.205   0.901
  500   HH12  ARG  64          HH12      ARG  64 -20.923   6.657   2.538
  501   HH21  ARG  64          HH21      ARG  64 -20.556  10.100   1.991
  502   HH22  ARG  64          HH22      ARG  64 -20.986   8.859   3.151
  503    H    ALA  65           H        ALA  65 -16.362   7.255  -5.379
  504    HA   ALA  65           HA       ALA  65 -17.498   5.306  -7.156
  505    HB1  ALA  65           HB1      ALA  65 -16.452   7.463  -7.861
  506    HB2  ALA  65           HB2      ALA  65 -14.869   6.828  -7.345
  507    HB3  ALA  65           HB3      ALA  65 -15.734   6.052  -8.681
  508    H    ALA  66           H        ALA  66 -14.450   5.423  -5.217
  509    HA   ALA  66           HA       ALA  66 -13.745   2.751  -6.248
  510    HB1  ALA  66           HB1      ALA  66 -11.665   3.082  -5.023
  511    HB2  ALA  66           HB2      ALA  66 -12.046   4.500  -6.026
  512    HB3  ALA  66           HB3      ALA  66 -12.329   4.558  -4.265
  513    H    VAL  67           H        VAL  67 -15.124   4.200  -3.326
  514    HA   VAL  67           HA       VAL  67 -14.713   1.882  -1.656
  515    HB   VAL  67           HB       VAL  67 -16.429   4.377  -1.457
  516   HG11  VAL  67          HG11      VAL  67 -16.310   2.018   0.455
  517   HG12  VAL  67          HG12      VAL  67 -16.947   3.629   0.874
  518   HG13  VAL  67          HG13      VAL  67 -17.751   2.659  -0.374
  519   HG21  VAL  67          HG21      VAL  67 -14.118   3.262   0.183
  520   HG22  VAL  67          HG22      VAL  67 -13.960   4.495  -1.096
  521   HG23  VAL  67          HG23      VAL  67 -14.875   4.857   0.380
  522    H    ALA  68           H        ALA  68 -17.046   2.731  -4.121
  523    HA   ALA  68           HA       ALA  68 -18.545   0.243  -3.434
  524    HB1  ALA  68           HB1      ALA  68 -19.354   2.558  -5.228
  525    HB2  ALA  68           HB2      ALA  68 -20.339   1.135  -4.819
  526    HB3  ALA  68           HB3      ALA  68 -19.897   2.301  -3.551
  527    H    GLY  69           H        GLY  69 -16.129   1.436  -5.543
  528    HA2  GLY  69           HA2      GLY  69 -16.932  -0.282  -7.797
  529    HA3  GLY  69           HA3      GLY  69 -15.589   0.868  -7.745
  530    H    GLU  70           H        GLU  70 -14.283  -0.068  -5.363
  531    HA   GLU  70           HA       GLU  70 -13.106  -2.583  -6.469
  532    HB2  GLU  70           HB2      GLU  70 -11.970  -0.378  -4.716
  533    HB3  GLU  70           HB3      GLU  70 -11.092  -1.843  -5.178
  534    HG2  GLU  70           HG2      GLU  70 -12.222   0.164  -7.159
  535    HG3  GLU  70           HG3      GLU  70 -10.553   0.156  -6.587
  536    H    ASP  71           H        ASP  71 -15.000  -1.452  -3.787
  537    HA   ASP  71           HA       ASP  71 -13.827  -2.979  -1.722
  538    HB2  ASP  71           HB2      ASP  71 -15.466  -1.286  -1.244
  539    HB3  ASP  71           HB3      ASP  71 -16.686  -2.107  -2.222
  540    H    GLY  72           H        GLY  72 -13.734  -5.080  -1.256
  541    HA2  GLY  72           HA2      GLY  72 -14.423  -7.284  -1.108
  542    HA3  GLY  72           HA3      GLY  72 -15.766  -6.951  -2.213
  543    H    ARG  73           H        ARG  73 -12.709  -5.808  -3.402
  544    HA   ARG  73           HA       ARG  73 -12.777  -7.971  -5.403
  545    HB2  ARG  73           HB2      ARG  73 -11.578  -6.643  -6.824
  546    HB3  ARG  73           HB3      ARG  73 -12.621  -5.481  -5.983
  547    HG2  ARG  73           HG2      ARG  73 -10.822  -4.617  -4.707
  548    HG3  ARG  73           HG3      ARG  73  -9.776  -6.012  -5.042
  549    HD2  ARG  73           HD2      ARG  73 -10.760  -4.135  -7.214
  550    HD3  ARG  73           HD3      ARG  73  -9.249  -3.885  -6.328
  551    HE   ARG  73           HE       ARG  73  -9.294  -6.563  -7.290
  552   HH11  ARG  73          HH11      ARG  73  -9.025  -3.264  -8.529
  553   HH12  ARG  73          HH12      ARG  73  -8.042  -3.737  -9.896
  554   HH21  ARG  73          HH21      ARG  73  -8.021  -7.149  -9.073
  555   HH22  ARG  73          HH22      ARG  73  -7.488  -5.932 -10.212
  556    H    MET  74           H        MET  74 -10.755  -9.022  -6.127
  557    HA   MET  74           HA       MET  74  -9.012  -9.564  -3.796
  558    HB2  MET  74           HB2      MET  74  -9.998 -11.519  -4.731
  559    HB3  MET  74           HB3      MET  74  -9.494 -11.087  -6.376
  560    HG2  MET  74           HG2      MET  74  -7.220 -11.482  -5.934
  561    HG3  MET  74           HG3      MET  74  -7.430 -11.364  -4.188
  562    HE1  MET  74           HE1      MET  74  -8.833 -14.638  -3.008
  563    HE2  MET  74           HE2      MET  74  -8.136 -13.042  -2.635
  564    HE3  MET  74           HE3      MET  74  -9.750 -13.158  -3.376
  565    H    ILE  75           H        ILE  75  -6.916  -9.144  -3.724
  566    HA   ILE  75           HA       ILE  75  -5.426  -8.358  -6.147
  567    HB   ILE  75           HB       ILE  75  -5.459  -6.725  -3.575
  568   HG12  ILE  75          HG12      ILE  75  -6.534  -5.977  -6.335
  569   HG13  ILE  75          HG13      ILE  75  -7.538  -6.421  -4.946
  570   HG21  ILE  75          HG21      ILE  75  -3.265  -6.781  -4.717
  571   HG22  ILE  75          HG22      ILE  75  -4.041  -6.249  -6.228
  572   HG23  ILE  75          HG23      ILE  75  -3.993  -5.172  -4.815
  573   HD11  ILE  75          HD11      ILE  75  -6.558  -4.506  -3.662
  574   HD12  ILE  75          HD12      ILE  75  -5.734  -3.984  -5.149
  575   HD13  ILE  75          HD13      ILE  75  -7.510  -4.031  -5.081
  576    H    ALA  76           H        ALA  76  -3.380  -9.182  -6.085
  577    HA   ALA  76           HA       ALA  76  -1.714 -10.567  -5.481
  578    HB1  ALA  76           HB1      ALA  76  -2.016  -9.223  -2.790
  579    HB2  ALA  76           HB2      ALA  76  -0.568 -10.039  -3.407
  580    HB3  ALA  76           HB3      ALA  76  -1.150  -8.541  -4.186
  581    H    GLY  77           H        GLY  77  -4.660 -11.490  -4.698
  582    HA2  GLY  77           HA2      GLY  77  -5.075 -13.821  -4.421
  583    HA3  GLY  77           HA3      GLY  77  -3.625 -13.962  -3.418
  584    H    GLN  78           H        GLN  78  -5.164 -11.164  -2.384
  585    HA   GLN  78           HA       GLN  78  -7.019 -12.614  -0.551
  586    HB2  GLN  78           HB2      GLN  78  -4.998 -10.457   0.171
  587    HB3  GLN  78           HB3      GLN  78  -6.369 -10.908   1.193
  588    HG2  GLN  78           HG2      GLN  78  -5.170 -12.540   2.099
  589    HG3  GLN  78           HG3      GLN  78  -5.117 -13.357   0.533
  590   HE21  GLN  78          HE21      GLN  78  -3.381 -12.527  -1.018
  591   HE22  GLN  78          HE22      GLN  78  -1.818 -12.150  -0.314
  592    H    VAL  79           H        VAL  79  -8.768 -11.343   0.224
  593    HA   VAL  79           HA       VAL  79  -9.531  -9.170  -1.653
  594    HB   VAL  79           HB       VAL  79 -11.156 -10.733   0.378
  595   HG11  VAL  79          HG11      VAL  79 -12.013  -8.599  -1.632
  596   HG12  VAL  79          HG12      VAL  79 -13.118  -9.638  -0.707
  597   HG13  VAL  79          HG13      VAL  79 -12.096  -8.472   0.140
  598   HG21  VAL  79          HG21      VAL  79 -12.234 -11.658  -1.661
  599   HG22  VAL  79          HG22      VAL  79 -11.102 -10.728  -2.672
  600   HG23  VAL  79          HG23      VAL  79 -10.500 -12.032  -1.616
  601    H    LEU  80           H        LEU  80 -10.205  -7.168  -0.941
  602    HA   LEU  80           HA       LEU  80  -9.290  -6.408   1.790
  603    HB2  LEU  80           HB2      LEU  80  -9.008  -4.090   0.522
  604    HB3  LEU  80           HB3      LEU  80  -7.705  -5.239   0.736
  605    HG   LEU  80           HG       LEU  80  -7.735  -4.265  -1.483
  606   HD11  LEU  80          HD11      LEU  80  -7.331  -6.199  -2.759
  607   HD12  LEU  80          HD12      LEU  80  -6.883  -6.608  -1.086
  608   HD13  LEU  80          HD13      LEU  80  -8.399  -7.207  -1.813
  609   HD21  LEU  80          HD21      LEU  80 -10.359  -5.722  -1.949
  610   HD22  LEU  80          HD22      LEU  80  -9.453  -4.705  -3.097
  611   HD23  LEU  80          HD23      LEU  80 -10.200  -3.980  -1.655
  612    H    ASP  81           H        ASP  81 -10.489  -5.052   2.964
  613    HA   ASP  81           HA       ASP  81 -13.294  -4.742   2.070
  614    HB2  ASP  81           HB2      ASP  81 -12.836  -5.963   4.177
  615    HB3  ASP  81           HB3      ASP  81 -11.960  -4.556   4.796
  616    H    ILE  82           H        ILE  82 -13.541  -2.849   0.979
  617    HA   ILE  82           HA       ILE  82 -11.970  -0.503   1.871
  618    HB   ILE  82           HB       ILE  82 -13.433  -1.084  -0.715
  619   HG12  ILE  82          HG12      ILE  82 -10.441  -0.859  -0.201
  620   HG13  ILE  82          HG13      ILE  82 -11.301  -2.414  -0.170
  621   HG21  ILE  82          HG21      ILE  82 -12.340   0.961  -1.554
  622   HG22  ILE  82          HG22      ILE  82 -13.382   1.326  -0.168
  623   HG23  ILE  82          HG23      ILE  82 -11.618   1.234   0.051
  624   HD11  ILE  82          HD11      ILE  82 -10.304  -2.030  -2.388
  625   HD12  ILE  82          HD12      ILE  82 -12.077  -2.095  -2.451
  626   HD13  ILE  82          HD13      ILE  82 -11.240  -0.527  -2.559
  627    H    ASN  83           H        ASN  83 -12.940   1.381   2.502
  628    HA   ASN  83           HA       ASN  83 -15.857   1.683   2.401
  629    HB2  ASN  83           HB2      ASN  83 -15.267   0.155   4.373
  630    HB3  ASN  83           HB3      ASN  83 -14.444   1.548   5.091
  631   HD21  ASN  83          HD21      ASN  83 -15.735   3.317   5.917
  632   HD22  ASN  83          HD22      ASN  83 -17.464   3.130   6.107
  633    H    LEU  84           H        LEU  84 -16.503   3.852   3.352
  634    HA   LEU  84           HA       LEU  84 -14.605   5.911   2.730
  635    HB2  LEU  84           HB2      LEU  84 -17.383   5.756   3.431
  636    HB3  LEU  84           HB3      LEU  84 -16.596   6.809   4.611
  637    HG   LEU  84           HG       LEU  84 -15.471   7.904   2.476
  638   HD11  LEU  84          HD11      LEU  84 -17.985   6.640   1.320
  639   HD12  LEU  84          HD12      LEU  84 -16.970   7.867   0.521
  640   HD13  LEU  84          HD13      LEU  84 -16.310   6.252   0.856
  641   HD21  LEU  84          HD21      LEU  84 -17.413   9.444   2.347
  642   HD22  LEU  84          HD22      LEU  84 -16.993   9.028   4.027
  643   HD23  LEU  84          HD23      LEU  84 -18.392   8.255   3.246
  644    H    ALA  85           H        ALA  85 -13.766   7.515   4.392
  645    HA   ALA  85           HA       ALA  85 -12.476   5.961   6.502
  646    HB1  ALA  85           HB1      ALA  85 -11.233   7.521   5.085
  647    HB2  ALA  85           HB2      ALA  85 -12.227   8.877   5.692
  648    HB3  ALA  85           HB3      ALA  85 -11.135   7.999   6.796
  649    H    ALA  86           H        ALA  86 -15.423   7.589   6.388
  650    HA   ALA  86           HA       ALA  86 -15.324   8.055   9.324
  651    HB1  ALA  86           HB1      ALA  86 -16.608   9.864   7.242
  652    HB2  ALA  86           HB2      ALA  86 -16.646  10.099   9.009
  653    HB3  ALA  86           HB3      ALA  86 -15.101  10.192   8.125
  654    H    GLU  87           H        GLU  87 -16.492   5.965   7.252
  655    HA   GLU  87           HA       GLU  87 -19.145   5.881   8.590
  656    HB2  GLU  87           HB2      GLU  87 -18.684   5.358   5.632
  657    HB3  GLU  87           HB3      GLU  87 -20.220   5.199   6.514
  658    HG2  GLU  87           HG2      GLU  87 -20.021   7.646   7.131
  659    HG3  GLU  87           HG3      GLU  87 -18.646   7.751   6.028
  660    HA   PRO  88           HA       PRO  88 -16.720   1.807   8.433
  661    HB2  PRO  88           HB2      PRO  88 -16.141   1.473  11.099
  662    HB3  PRO  88           HB3      PRO  88 -15.079   2.357   9.965
  663    HG2  PRO  88           HG2      PRO  88 -17.168   3.509  11.843
  664    HG3  PRO  88           HG3      PRO  88 -15.467   4.039  11.625
  665    HD2  PRO  88           HD2      PRO  88 -17.502   5.309  10.366
  666    HD3  PRO  88           HD3      PRO  88 -15.946   5.015   9.528
  667    H    LYS  89           H        LYS  89 -17.770  -0.092   8.697
  668    HA   LYS  89           HA       LYS  89 -20.089  -0.238  10.560
  669    HB2  LYS  89           HB2      LYS  89 -20.791   0.311   8.223
  670    HB3  LYS  89           HB3      LYS  89 -20.037  -1.194   7.669
  671    HG2  LYS  89           HG2      LYS  89 -21.566  -2.500   9.110
  672    HG3  LYS  89           HG3      LYS  89 -22.310  -0.991   9.690
  673    HD2  LYS  89           HD2      LYS  89 -22.236  -1.926   6.790
  674    HD3  LYS  89           HD3      LYS  89 -23.625  -2.109   7.882
  675    HE2  LYS  89           HE2      LYS  89 -23.714   0.362   8.163
  676    HE3  LYS  89           HE3      LYS  89 -22.362   0.534   7.031
  677    HZ1  LYS  89           HZ1      LYS  89 -24.979  -0.648   6.383
  678    HZ2  LYS  89           HZ2      LYS  89 -24.457   0.844   5.932
  679    HZ3  LYS  89           HZ3      LYS  89 -23.712  -0.501   5.344
  680    H    VAL  90           H        VAL  90 -17.174  -1.554   9.366
  681    HA   VAL  90           HA       VAL  90 -17.817  -4.334  10.014
  682    HB   VAL  90           HB       VAL  90 -16.399  -3.672   8.087
  683   HG11  VAL  90          HG11      VAL  90 -14.073  -2.984   8.468
  684   HG12  VAL  90          HG12      VAL  90 -15.192  -1.775   9.124
  685   HG13  VAL  90          HG13      VAL  90 -14.358  -2.905  10.217
  686   HG21  VAL  90          HG21      VAL  90 -14.734  -5.399   8.372
  687   HG22  VAL  90          HG22      VAL  90 -14.881  -5.342  10.134
  688   HG23  VAL  90          HG23      VAL  90 -16.244  -5.926   9.142
  689    H    ASN  91           H        ASN  91 -16.604  -5.563  11.574
  690    HA   ASN  91           HA       ASN  91 -16.459  -4.112  14.095
  691    HB2  ASN  91           HB2      ASN  91 -15.797  -7.033  13.664
  692    HB3  ASN  91           HB3      ASN  91 -16.458  -6.255  15.107
  693   HD21  ASN  91          HD21      ASN  91 -17.139  -7.518  11.892
  694   HD22  ASN  91          HD22      ASN  91 -18.887  -7.522  12.034
  695    H    ARG  92           H        ARG  92 -14.283  -4.310  11.695
  696    HA   ARG  92           HA       ARG  92 -12.056  -4.546  11.432
  697    HB2  ARG  92           HB2      ARG  92 -12.119  -3.062  14.088
  698    HB3  ARG  92           HB3      ARG  92 -10.671  -3.261  13.083
  699    HG2  ARG  92           HG2      ARG  92 -11.963  -2.261  11.153
  700    HG3  ARG  92           HG3      ARG  92 -13.268  -1.882  12.290
  701    HD2  ARG  92           HD2      ARG  92 -10.390  -0.874  12.437
  702    HD3  ARG  92           HD3      ARG  92 -11.789   0.070  11.927
  703    HE   ARG  92           HE       ARG  92 -12.684  -0.068  14.191
  704   HH11  ARG  92          HH11      ARG  92  -9.265  -0.995  13.826
  705   HH12  ARG  92          HH12      ARG  92  -8.916  -0.719  15.512
  706   HH21  ARG  92          HH21      ARG  92 -12.163   0.281  16.365
  707   HH22  ARG  92          HH22      ARG  92 -10.533   0.013  16.936
  708    H    GLY  93           H        GLY  93 -13.147  -6.874  12.160
  709    HA2  GLY  93           HA2      GLY  93 -11.912  -8.100  14.442
  710    HA3  GLY  93           HA3      GLY  93 -12.846  -8.897  13.155
  711    H    LYS  94           H        LYS  94 -10.235  -7.017  11.961
  712    HA   LYS  94           HA       LYS  94  -8.328  -7.506  10.899
  713    HB2  LYS  94           HB2      LYS  94  -7.966  -9.548  13.091
  714    HB3  LYS  94           HB3      LYS  94  -6.689  -8.839  12.075
  715    HG2  LYS  94           HG2      LYS  94  -7.301  -6.573  12.942
  716    HG3  LYS  94           HG3      LYS  94  -8.484  -7.328  14.028
  717    HD2  LYS  94           HD2      LYS  94  -5.478  -7.848  14.028
  718    HD3  LYS  94           HD3      LYS  94  -6.363  -6.837  15.186
  719    HE2  LYS  94           HE2      LYS  94  -7.692  -8.812  15.888
  720    HE3  LYS  94           HE3      LYS  94  -6.786  -9.823  14.748
  721    HZ1  LYS  94           HZ1      LYS  94  -5.629  -8.358  17.029
  722    HZ2  LYS  94           HZ2      LYS  94  -5.893  -9.980  16.961
  723    HZ3  LYS  94           HZ3      LYS  94  -4.789  -9.288  15.967
  724    H    ALA  95           H        ALA  95 -10.842  -9.548  10.631
  725    HA   ALA  95           HA       ALA  95  -9.560 -10.890   8.360
  726    HB1  ALA  95           HB1      ALA  95 -10.964 -12.440  10.578
  727    HB2  ALA  95           HB2      ALA  95 -10.357 -13.116   9.046
  728    HB3  ALA  95           HB3      ALA  95  -9.220 -12.467  10.247
  729    H    GLY  96           H        GLY  96 -11.046 -11.365   6.731
  730    HA2  GLY  96           HA2      GLY  96 -13.596  -9.975   6.885
  731    HA3  GLY  96           HA3      GLY  96 -12.918 -10.834   5.486
  732    H    VAL  97           H        VAL  97 -12.747 -12.864   8.157
  733    HA   VAL  97           HA       VAL  97 -14.830 -14.592   7.102
  734    HB   VAL  97           HB       VAL  97 -13.062 -14.853   9.572
  735   HG11  VAL  97          HG11      VAL  97 -14.603 -16.918   7.943
  736   HG12  VAL  97          HG12      VAL  97 -13.455 -17.288   9.251
  737   HG13  VAL  97          HG13      VAL  97 -14.951 -16.412   9.616
  738   HG21  VAL  97          HG21      VAL  97 -11.686 -14.574   7.562
  739   HG22  VAL  97          HG22      VAL  97 -11.633 -16.260   8.099
  740   HG23  VAL  97          HG23      VAL  97 -12.649 -15.805   6.709
  741    H    LYS  98           H        LYS  98 -14.558 -12.237   9.660
  742    HA   LYS  98           HA       LYS  98 -16.737 -13.270  11.272
  743    HB2  LYS  98           HB2      LYS  98 -15.348 -10.566  11.191
  744    HB3  LYS  98           HB3      LYS  98 -16.519 -11.063  12.429
  745    HG2  LYS  98           HG2      LYS  98 -13.842 -12.409  11.866
  746    HG3  LYS  98           HG3      LYS  98 -14.206 -11.328  13.222
  747    HD2  LYS  98           HD2      LYS  98 -15.968 -12.955  13.988
  748    HD3  LYS  98           HD3      LYS  98 -15.461 -14.057  12.685
  749    HE2  LYS  98           HE2      LYS  98 -13.171 -14.099  13.613
  750    HE3  LYS  98           HE3      LYS  98 -13.679 -13.003  14.911
  751    HZ1  LYS  98           HZ1      LYS  98 -13.706 -15.294  15.612
  752    HZ2  LYS  98           HZ2      LYS  98 -15.229 -14.680  15.638
  753    HZ3  LYS  98           HZ3      LYS  98 -14.767 -15.698  14.429
  754    H    ARG  99           H        ARG  99 -18.741 -12.220  11.664
  755    HA   ARG  99           HA       ARG  99 -19.855 -10.750   9.311
  756    HB2  ARG  99           HB2      ARG  99 -20.920 -13.080  10.903
  757    HB3  ARG  99           HB3      ARG  99 -22.057 -11.870  10.304
  758    HG2  ARG  99           HG2      ARG  99 -21.941 -13.627   8.670
  759    HG3  ARG  99           HG3      ARG  99 -21.176 -12.173   7.998
  760    HD2  ARG  99           HD2      ARG  99 -18.952 -13.100   8.644
  761    HD3  ARG  99           HD3      ARG  99 -19.751 -14.569   9.220
  762    HE   ARG  99           HE       ARG  99 -20.466 -15.003   6.903
  763   HH11  ARG  99          HH11      ARG  99 -17.947 -12.548   7.336
  764   HH12  ARG  99          HH12      ARG  99 -17.323 -12.737   5.721
  765   HH21  ARG  99          HH21      ARG  99 -19.633 -15.214   4.793
  766   HH22  ARG  99          HH22      ARG  99 -18.278 -14.236   4.283
  767    H    SER 100           H        SER 100 -21.839  -9.513   9.881
  768    HA   SER 100           HA       SER 100 -21.295  -7.739  12.107
  769    HB2  SER 100           HB2      SER 100 -22.304  -6.949  10.003
  770    HB3  SER 100           HB3      SER 100 -23.704  -8.012  10.265
  771    HG   SER 100           HG       SER 100 -24.034  -5.835  10.969
  772    H    ALA 101           H        ALA 101 -22.748  -7.351  13.934
  773    HA   ALA 101           HA       ALA 101 -23.587  -9.803  15.167
  774    HB1  ALA 101           HB1      ALA 101 -24.108  -6.903  15.945
  775    HB2  ALA 101           HB2      ALA 101 -24.325  -8.317  16.998
  776    HB3  ALA 101           HB3      ALA 101 -22.698  -7.876  16.430
  777    H    ALA 102           H        ALA 102 -25.078  -7.923  12.803
  778    HA   ALA 102           HA       ALA 102 -27.819  -8.729  13.631
  779    HB1  ALA 102           HB1      ALA 102 -26.824  -6.737  11.568
  780    HB2  ALA 102           HB2      ALA 102 -28.532  -7.039  11.976
  781    HB3  ALA 102           HB3      ALA 102 -27.444  -6.329  13.190
  782    H    GLU 103           H        GLU 103 -25.240  -9.761  11.717
  783    HA   GLU 103           HA       GLU 103 -27.086 -11.218   9.882
  784    HB2  GLU 103           HB2      GLU 103 -24.293 -10.165   9.308
  785    HB3  GLU 103           HB3      GLU 103 -25.271 -11.161   8.210
  786    HG2  GLU 103           HG2      GLU 103 -27.033  -9.410   8.205
  787    HG3  GLU 103           HG3      GLU 103 -26.021  -8.391   9.238
  788    H    MET 104           H        MET 104 -25.229 -11.580  12.549
  789    HA   MET 104           HA       MET 104 -23.729 -13.969  11.833
  790    HB2  MET 104           HB2      MET 104 -23.042 -12.339  13.604
  791    HB3  MET 104           HB3      MET 104 -24.472 -12.788  14.539
  792    HG2  MET 104           HG2      MET 104 -22.667 -14.045  15.440
  793    HG3  MET 104           HG3      MET 104 -23.625 -15.185  14.496
  794    HE1  MET 104           HE1      MET 104 -20.970 -12.452  13.383
  795    HE2  MET 104           HE2      MET 104 -20.483 -13.146  14.942
  796    HE3  MET 104           HE3      MET 104 -19.488 -13.434  13.483
  797    H    TYR 105           H        TYR 105 -26.864 -13.175  13.254
  798    HA   TYR 105           HA       TYR 105 -27.637 -16.053  13.183
  799    HB2  TYR 105           HB2      TYR 105 -28.197 -14.046  15.399
  800    HB3  TYR 105           HB3      TYR 105 -28.904 -15.655  15.287
  801    HD1  TYR 105           HD2      TYR 105 -25.768 -13.771  15.911
  802    HD2  TYR 105           HD1      TYR 105 -27.664 -17.628  15.841
  803    HE1  TYR 105           HE2      TYR 105 -23.877 -14.719  17.210
  804    HE2  TYR 105           HE1      TYR 105 -25.761 -18.593  17.122
  805    HH   TYR 105           HH       TYR 105 -23.747 -18.174  18.135
  806    H    GLY 106           H        GLY 106 -28.264 -12.818  12.292
  807    HA2  GLY 106           HA2      GLY 106 -29.968 -11.886  11.079
  808    HA3  GLY 106           HA3      GLY 106 -30.674 -13.504  10.909
  809    H5'    A   1           H5'        A   1   2.233 -12.714   8.268
  810   H5''    A   1          H5''        A   1   3.787 -12.520   7.439
  811    H4'    A   1           H4'        A   1   3.340 -11.740  10.355
  812    H3'    A   1           H3'        A   1   1.947 -10.450   8.462
  813    H2'    A   1           H2'        A   1   3.612 -10.277   6.810
  814   HO2'    A   1          HO2'        A   1   2.972  -8.109   7.328
  815    H1'    A   1           H1'        A   1   5.785  -9.409   8.604
  816    H8     A   1           H8         A   1   5.791  -9.344   5.553
  817    H61    A   1           H61        A   1   9.082 -14.427   4.231
  818    H62    A   1           H62        A   1   8.477 -12.910   3.602
  819    H2     A   1           H2         A   1   7.727 -14.803   8.373
  820    H5'    U   2           H5'        U   2   1.131  -7.051   9.205
  821   H5''    U   2          H5''        U   2   0.287  -6.819  10.744
  822    H4'    U   2           H4'        U   2  -1.236  -6.029   9.152
  823    H3'    U   2           H3'        U   2  -1.982  -8.216  10.683
  824    H2'    U   2           H2'        U   2  -1.466  -9.811   8.981
  825   HO2'    U   2          HO2'        U   2  -4.176  -9.011   8.628
  826    H1'    U   2           H1'        U   2  -2.751  -7.964   6.958
  827    H3     U   2           H3         U   2  -2.186 -11.295   3.914
  828    H5     U   2           H5         U   2   1.375 -11.394   6.152
  829    H6     U   2           H6         U   2   0.544  -9.548   7.460
  830    H5'    U   3           H5'        U   3  -6.455  -5.800  10.066
  831   H5''    U   3          H5''        U   3  -5.661  -5.800   8.473
  832    H4'    U   3           H4'        U   3  -5.764  -3.220   8.633
  833    H3'    U   3           H3'        U   3  -6.596  -3.705  11.219
  834    H2'    U   3           H2'        U   3  -8.593  -4.797  10.597
  835   HO2'    U   3          HO2'        U   3  -8.988  -2.539  11.660
  836    H1'    U   3           H1'        U   3  -9.020  -2.723   8.435
  837    H3     U   3           H3         U   3 -12.831  -4.646   6.964
  838    H5     U   3           H5         U   3 -10.770  -7.866   8.709
  839    H6     U   3           H6         U   3  -8.940  -6.342   9.200
  840    H5'    U   4           H5'        U   4  -6.124   0.862   9.619
  841   H5''    U   4          H5''        U   4  -5.307   1.144  11.168
  842    H4'    U   4           H4'        U   4  -5.830   3.288  10.219
  843    H3'    U   4           H3'        U   4  -6.883   2.478  12.780
  844    H2'    U   4           H2'        U   4  -9.105   2.647  12.077
  845   HO2'    U   4          HO2'        U   4  -8.258   5.304  12.634
  846    H1'    U   4           H1'        U   4  -8.176   4.850  10.202
  847    H3     U   4           H3         U   4 -12.298   5.830   8.709
  848    H5     U   4           H5         U   4 -12.573   1.715   9.535
  849    H6     U   4           H6         U   4 -10.273   1.780  10.312
  850    H5'    U   5           H5'        U   5  -3.842   3.364  10.536
  851   H5''    U   5          H5''        U   5  -2.485   3.552  11.663
  852    H4'    U   5           H4'        U   5  -1.631   4.165   9.555
  853    H3'    U   5           H3'        U   5  -1.587   6.002  11.605
  854    H2'    U   5           H2'        U   5  -3.482   7.243  10.939
  855   HO2'    U   5          HO2'        U   5  -1.331   8.501  10.542
  856    H1'    U   5           H1'        U   5  -2.706   7.019   8.041
  857    H3     U   5           H3         U   5  -6.530   8.895   6.681
  858    H5     U   5           H5         U   5  -7.685   6.957  10.238
  859    H6     U   5           H6         U   5  -5.393   6.177  10.468
  860    H5'    U   6           H5'        U   6   1.720   5.422   8.531
  861   H5''    U   6          H5''        U   6   3.122   5.733   9.557
  862    H4'    U   6           H4'        U   6   3.688   5.710   7.139
  863    H3'    U   6           H3'        U   6   4.630   7.498   9.026
  864    H2'    U   6           H2'        U   6   3.104   9.229   8.520
  865   HO2'    U   6          HO2'        U   6   4.238  10.710   7.088
  866    H1'    U   6           H1'        U   6   3.320   8.719   5.555
  867    H3     U   6           H3         U   6   0.871  12.619   5.881
  868    H5     U   6           H5         U   6  -1.614   9.540   7.308
  869    H6     U   6           H6         U   6   0.299   8.082   7.328
  870    H5'    C   7           H5'        C   7   7.683   8.687   8.324
  871   H5''    C   7          H5''        C   7   9.045   7.553   8.199
  872    H4'    C   7           H4'        C   7   7.714   8.358  10.824
  873    H3'    C   7           H3'        C   7  10.226   9.399   9.459
  874    H2'    C   7           H2'        C   7  11.084   9.782  11.645
  875   HO2'    C   7          HO2'        C   7   9.085  10.754  12.420
  876    H1'    C   7           H1'        C   7   9.765   7.544  12.773
  877    H41    C   7           H41        C   7  15.902   6.012  10.715
  878    H42    C   7           H42        C   7  15.965   5.925  12.466
  879    H5     C   7           H5         C   7  14.062   6.530  13.883
  880    H6     C   7           H6         C   7  11.754   7.256  13.872
  Start of MODEL    4
    1    H1   ALA   2           H        ALA   2   2.340  10.732  -6.160
    2    H2   ALA   2           H2       ALA   2   1.298   9.640  -5.484
    3    HA   ALA   2           HA       ALA   2   0.773  12.499  -5.886
    4    HB1  ALA   2           HB1      ALA   2  -1.250  11.091  -6.118
    5    HB2  ALA   2           HB2      ALA   2  -0.935  10.391  -4.511
    6    HB3  ALA   2           HB3      ALA   2  -1.311  12.121  -4.678
    7    H    SER   3           H        SER   3  -0.006  13.275  -3.485
    8    HA   SER   3           HA       SER   3   2.375  13.444  -1.968
    9    HB2  SER   3           HB2      SER   3   0.502  15.096  -2.043
   10    HB3  SER   3           HB3      SER   3  -0.472  13.986  -1.049
   11    HG   SER   3           HG       SER   3   0.695  15.593   0.153
   12    H    ASN   4           H        ASN   4   2.283  12.998   0.537
   13    HA   ASN   4           HA       ASN   4   1.674  10.101   0.809
   14    HB2  ASN   4           HB2      ASN   4   3.600   9.963   2.278
   15    HB3  ASN   4           HB3      ASN   4   4.080  10.662   0.724
   16   HD21  ASN   4          HD21      ASN   4   5.863  11.067   2.612
   17   HD22  ASN   4          HD22      ASN   4   5.788  12.695   3.250
   18    H    VAL   5           H        VAL   5   0.069  12.731   1.608
   19    HA   VAL   5           HA       VAL   5  -0.215  12.001   4.477
   20    HB   VAL   5           HB       VAL   5   0.747  14.259   3.968
   21   HG11  VAL   5          HG11      VAL   5  -2.052  14.892   2.943
   22   HG12  VAL   5          HG12      VAL   5  -0.695  16.024   3.140
   23   HG13  VAL   5          HG13      VAL   5  -0.600  14.732   1.925
   24   HG21  VAL   5          HG21      VAL   5  -0.302  13.858   6.092
   25   HG22  VAL   5          HG22      VAL   5  -0.768  15.468   5.528
   26   HG23  VAL   5          HG23      VAL   5  -1.926  14.120   5.401
   27    H    THR   6           H        THR   6  -2.098  11.298   5.188
   28    HA   THR   6           HA       THR   6  -4.530  11.747   3.600
   29    HB   THR   6           HB       THR   6  -5.072   9.351   3.480
   30    HG1  THR   6           HG1      THR   6  -3.786   8.626   5.216
   31   HG21  THR   6          HG21      THR   6  -2.315   9.801   2.290
   32   HG22  THR   6          HG22      THR   6  -3.564   8.659   1.749
   33   HG23  THR   6          HG23      THR   6  -3.833  10.405   1.570
   34    H    ASN   7           H        ASN   7  -3.398  12.303   6.467
   35    HA   ASN   7           HA       ASN   7  -5.619  10.948   7.910
   36    HB2  ASN   7           HB2      ASN   7  -3.357  10.126   8.473
   37    HB3  ASN   7           HB3      ASN   7  -2.941  11.741   9.087
   38   HD21  ASN   7          HD21      ASN   7  -2.580  10.952  11.185
   39   HD22  ASN   7          HD22      ASN   7  -3.894  10.434  12.222
   40    H    LYS   8           H        LYS   8  -5.608  13.666   6.561
   41    HA   LYS   8           HA       LYS   8  -5.813  15.599   8.720
   42    HB2  LYS   8           HB2      LYS   8  -6.656  15.497   5.817
   43    HB3  LYS   8           HB3      LYS   8  -7.256  16.776   6.871
   44    HG2  LYS   8           HG2      LYS   8  -5.286  17.466   5.602
   45    HG3  LYS   8           HG3      LYS   8  -5.034  17.575   7.343
   46    HD2  LYS   8           HD2      LYS   8  -4.124  15.129   5.813
   47    HD3  LYS   8           HD3      LYS   8  -3.150  16.600   5.798
   48    HE2  LYS   8           HE2      LYS   8  -3.984  15.141   8.339
   49    HE3  LYS   8           HE3      LYS   8  -2.421  14.987   7.538
   50    HZ1  LYS   8           HZ1      LYS   8  -2.342  16.583   9.307
   51    HZ2  LYS   8           HZ2      LYS   8  -2.072  17.334   7.871
   52    HZ3  LYS   8           HZ3      LYS   8  -3.527  17.489   8.624
   53    H    THR   9           H        THR   9  -7.979  16.716   9.173
   54    HA   THR   9           HA       THR   9 -10.105  14.646   9.420
   55    HB   THR   9           HB       THR   9 -10.514  15.429  11.747
   56    HG1  THR   9           HG1      THR   9  -8.833  16.617  12.713
   57   HG21  THR   9          HG21      THR   9  -9.180  13.383  11.259
   58   HG22  THR   9          HG22      THR   9  -7.700  14.367  11.241
   59   HG23  THR   9          HG23      THR   9  -8.638  14.206  12.740
   60    H    ASP  10           H        ASP  10  -9.717  17.026   7.615
   61    HA   ASP  10           HA       ASP  10 -11.539  19.070   8.442
   62    HB2  ASP  10           HB2      ASP  10 -10.525  18.183   5.718
   63    HB3  ASP  10           HB3      ASP  10 -11.478  19.649   5.988
   64    HA   PRO  11           HA       PRO  11 -15.451  17.320   7.906
   65    HB2  PRO  11           HB2      PRO  11 -16.961  19.361   6.846
   66    HB3  PRO  11           HB3      PRO  11 -16.332  19.353   8.531
   67    HG2  PRO  11           HG2      PRO  11 -15.123  20.677   6.083
   68    HG3  PRO  11           HG3      PRO  11 -15.417  21.403   7.700
   69    HD2  PRO  11           HD2      PRO  11 -12.985  20.439   7.050
   70    HD3  PRO  11           HD3      PRO  11 -13.656  20.144   8.685
   71    H    ARG  12           H        ARG  12 -13.661  18.128   5.112
   72    HA   ARG  12           HA       ARG  12 -15.607  16.588   3.444
   73    HB2  ARG  12           HB2      ARG  12 -14.942  17.850   1.516
   74    HB3  ARG  12           HB3      ARG  12 -15.395  18.972   2.803
   75    HG2  ARG  12           HG2      ARG  12 -13.458  19.969   2.038
   76    HG3  ARG  12           HG3      ARG  12 -12.801  18.972   3.340
   77    HD2  ARG  12           HD2      ARG  12 -12.313  17.185   1.564
   78    HD3  ARG  12           HD3      ARG  12 -12.808  18.364   0.351
   79    HE   ARG  12           HE       ARG  12 -10.369  18.380   2.018
   80   HH11  ARG  12          HH11      ARG  12 -12.380  20.122  -0.310
   81   HH12  ARG  12          HH12      ARG  12 -11.091  21.209  -0.783
   82   HH21  ARG  12          HH21      ARG  12  -8.719  19.807   1.394
   83   HH22  ARG  12          HH22      ARG  12  -9.026  21.036   0.188
   84    H    SER  13           H        SER  13 -12.312  16.909   4.607
   85    HA   SER  13           HA       SER  13 -11.234  15.018   2.683
   86    HB2  SER  13           HB2      SER  13 -10.081  16.070   5.291
   87    HB3  SER  13           HB3      SER  13  -9.191  15.185   4.035
   88    HG   SER  13           HG       SER  13  -8.960  17.454   3.842
   89    H    MET  14           H        MET  14 -12.906  14.829   5.728
   90    HA   MET  14           HA       MET  14 -12.018  12.153   6.415
   91    HB2  MET  14           HB2      MET  14 -14.219  14.032   7.296
   92    HB3  MET  14           HB3      MET  14 -14.213  12.350   7.854
   93    HG2  MET  14           HG2      MET  14 -11.614  13.773   8.062
   94    HG3  MET  14           HG3      MET  14 -12.907  14.390   9.099
   95    HE1  MET  14           HE1      MET  14 -11.639   9.919   9.298
   96    HE2  MET  14           HE2      MET  14 -12.783  10.536   8.098
   97    HE3  MET  14           HE3      MET  14 -11.065  11.019   8.029
   98    H    ASN  15           H        ASN  15 -14.112  13.401   3.988
   99    HA   ASN  15           HA       ASN  15 -15.269  10.692   3.668
  100    HB2  ASN  15           HB2      ASN  15 -17.297  11.948   2.664
  101    HB3  ASN  15           HB3      ASN  15 -17.121  11.833   4.415
  102   HD21  ASN  15          HD21      ASN  15 -16.575  13.664   5.644
  103   HD22  ASN  15          HD22      ASN  15 -16.694  15.281   4.983
  104    H    SER  16           H        SER  16 -13.154  12.874   2.337
  105    HA   SER  16           HA       SER  16 -13.706  11.885  -0.409
  106    HB2  SER  16           HB2      SER  16 -12.172  13.561  -1.176
  107    HB3  SER  16           HB3      SER  16 -13.325  14.339  -0.061
  108    HG   SER  16           HG       SER  16 -11.105  14.888   0.303
  109    H    ARG  17           H        ARG  17 -12.543  10.542   2.144
  110    HA   ARG  17           HA       ARG  17  -9.933   9.601   1.049
  111    HB2  ARG  17           HB2      ARG  17  -9.918  10.835   3.158
  112    HB3  ARG  17           HB3      ARG  17 -11.037   9.669   3.868
  113    HG2  ARG  17           HG2      ARG  17  -9.349   7.865   3.612
  114    HG3  ARG  17           HG3      ARG  17  -8.243   9.018   2.821
  115    HD2  ARG  17           HD2      ARG  17  -9.323   9.193   5.660
  116    HD3  ARG  17           HD3      ARG  17  -7.654   8.808   5.185
  117    HE   ARG  17           HE       ARG  17  -7.964  11.184   3.967
  118   HH11  ARG  17          HH11      ARG  17  -8.766  10.241   7.292
  119   HH12  ARG  17          HH12      ARG  17  -8.643  11.888   7.873
  120   HH21  ARG  17          HH21      ARG  17  -7.833  13.250   4.754
  121   HH22  ARG  17          HH22      ARG  17  -8.103  13.578   6.460
  122    H    VAL  18           H        VAL  18  -9.425   7.371   1.254
  123    HA   VAL  18           HA       VAL  18 -11.791   5.565   1.500
  124    HB   VAL  18           HB       VAL  18  -9.408   5.236  -0.356
  125   HG11  VAL  18          HG11      VAL  18 -10.396   3.114   0.329
  126   HG12  VAL  18          HG12      VAL  18 -12.023   3.717  -0.064
  127   HG13  VAL  18          HG13      VAL  18 -10.824   3.454  -1.355
  128   HG21  VAL  18          HG21      VAL  18 -12.252   6.117  -0.981
  129   HG22  VAL  18          HG22      VAL  18 -10.777   7.107  -1.145
  130   HG23  VAL  18          HG23      VAL  18 -11.004   5.690  -2.181
  131    H    PHE  19           H        PHE  19 -11.589   4.031   3.006
  132    HA   PHE  19           HA       PHE  19  -8.918   3.421   4.141
  133    HB2  PHE  19           HB2      PHE  19 -10.708   3.912   5.722
  134    HB3  PHE  19           HB3      PHE  19 -11.757   2.731   4.954
  135    HD1  PHE  19           HD2      PHE  19  -8.142   2.466   6.025
  136    HD2  PHE  19           HD1      PHE  19 -12.181   1.058   6.485
  137    HE1  PHE  19           HE2      PHE  19  -7.353   0.695   7.564
  138    HE2  PHE  19           HE1      PHE  19 -11.389  -0.702   8.036
  139    HZ   PHE  19           HZ       PHE  19  -8.974  -0.902   8.568
  140    H    ILE  20           H        ILE  20  -7.930   1.442   3.777
  141    HA   ILE  20           HA       ILE  20  -9.440  -0.558   2.154
  142    HB   ILE  20           HB       ILE  20  -6.558   0.313   1.728
  143   HG12  ILE  20          HG12      ILE  20  -8.938   0.808  -0.113
  144   HG13  ILE  20          HG13      ILE  20  -8.311   2.016   1.023
  145   HG21  ILE  20          HG21      ILE  20  -8.374  -1.554   0.125
  146   HG22  ILE  20          HG22      ILE  20  -6.685  -1.165  -0.258
  147   HG23  ILE  20          HG23      ILE  20  -7.075  -2.089   1.200
  148   HD11  ILE  20          HD11      ILE  20  -6.699   0.722  -1.215
  149   HD12  ILE  20          HD12      ILE  20  -7.373   2.364  -1.215
  150   HD13  ILE  20          HD13      ILE  20  -6.103   1.930  -0.052
  151    H    GLY  21           H        GLY  21  -9.788  -1.789   4.012
  152    HA2  GLY  21           HA2      GLY  21  -7.473  -2.585   5.672
  153    HA3  GLY  21           HA3      GLY  21  -9.171  -2.897   6.008
  154    H    ASN  22           H        ASN  22  -7.417  -4.895   6.406
  155    HA   ASN  22           HA       ASN  22  -6.948  -7.026   5.997
  156    HB2  ASN  22           HB2      ASN  22  -9.487  -6.968   5.944
  157    HB3  ASN  22           HB3      ASN  22  -9.367  -7.115   4.187
  158   HD21  ASN  22          HD21      ASN  22  -8.740  -9.138   3.286
  159   HD22  ASN  22          HD22      ASN  22  -8.565 -10.583   4.263
  160    H    LEU  23           H        LEU  23  -5.887  -4.930   4.119
  161    HA   LEU  23           HA       LEU  23  -5.760  -6.076   1.478
  162    HB2  LEU  23           HB2      LEU  23  -5.663  -3.672   1.925
  163    HB3  LEU  23           HB3      LEU  23  -4.201  -3.881   2.894
  164    HG   LEU  23           HG       LEU  23  -2.943  -4.588   0.900
  165   HD11  LEU  23          HD11      LEU  23  -4.795  -5.593  -0.421
  166   HD12  LEU  23          HD12      LEU  23  -5.519  -3.973  -0.609
  167   HD13  LEU  23          HD13      LEU  23  -3.942  -4.347  -1.346
  168   HD21  LEU  23          HD21      LEU  23  -3.038  -2.367  -0.278
  169   HD22  LEU  23          HD22      LEU  23  -2.989  -2.224   1.495
  170   HD23  LEU  23          HD23      LEU  23  -4.522  -1.998   0.619
  171    H    ASN  24           H        ASN  24  -4.054  -7.159   0.459
  172    HA   ASN  24           HA       ASN  24  -2.114  -8.516   2.181
  173    HB2  ASN  24           HB2      ASN  24  -3.098  -9.717   0.297
  174    HB3  ASN  24           HB3      ASN  24  -2.551  -8.466  -0.829
  175   HD21  ASN  24          HD21      ASN  24  -0.344  -8.303  -1.376
  176   HD22  ASN  24          HD22      ASN  24   0.784  -9.619  -1.054
  177    H    THR  25           H        THR  25  -0.731  -7.022   3.057
  178    HA   THR  25           HA       THR  25   0.392  -4.936   1.317
  179    HB   THR  25           HB       THR  25   1.108  -3.903   3.432
  180    HG1  THR  25           HG1      THR  25   1.404  -5.796   4.658
  181   HG21  THR  25          HG21      THR  25  -1.782  -4.887   3.502
  182   HG22  THR  25          HG22      THR  25  -1.166  -3.400   4.234
  183   HG23  THR  25          HG23      THR  25  -1.190  -3.564   2.463
  184    H    LEU  26           H        LEU  26   1.247  -8.014   1.661
  185    HA   LEU  26           HA       LEU  26   4.106  -7.546   2.226
  186    HB2  LEU  26           HB2      LEU  26   2.848 -10.109   1.224
  187    HB3  LEU  26           HB3      LEU  26   4.393  -9.879   2.041
  188    HG   LEU  26           HG       LEU  26   1.601  -9.841   3.200
  189   HD11  LEU  26          HD11      LEU  26   4.217 -11.275   3.847
  190   HD12  LEU  26          HD12      LEU  26   2.681 -11.534   4.693
  191   HD13  LEU  26          HD13      LEU  26   2.830 -11.975   2.975
  192   HD21  LEU  26          HD21      LEU  26   2.767  -7.863   4.172
  193   HD22  LEU  26          HD22      LEU  26   4.128  -8.914   4.630
  194   HD23  LEU  26          HD23      LEU  26   2.513  -9.151   5.354
  195    H    VAL  27           H        VAL  27   2.008  -7.407  -0.485
  196    HA   VAL  27           HA       VAL  27   4.343  -7.617  -2.328
  197    HB   VAL  27           HB       VAL  27   1.569  -8.751  -2.869
  198   HG11  VAL  27          HG11      VAL  27   4.185  -8.914  -4.422
  199   HG12  VAL  27          HG12      VAL  27   2.697  -9.805  -4.815
  200   HG13  VAL  27          HG13      VAL  27   2.714  -8.038  -4.913
  201   HG21  VAL  27          HG21      VAL  27   2.707 -10.962  -2.761
  202   HG22  VAL  27          HG22      VAL  27   4.191 -10.162  -2.203
  203   HG23  VAL  27          HG23      VAL  27   2.727 -10.139  -1.188
  204    H    VAL  28           H        VAL  28   1.343  -6.010  -1.376
  205    HA   VAL  28           HA       VAL  28   1.300  -4.379  -3.797
  206    HB   VAL  28           HB       VAL  28  -0.650  -5.122  -2.119
  207   HG11  VAL  28          HG11      VAL  28   0.016  -2.320  -1.160
  208   HG12  VAL  28          HG12      VAL  28  -1.263  -3.414  -0.571
  209   HG13  VAL  28          HG13      VAL  28   0.439  -3.793  -0.243
  210   HG21  VAL  28          HG21      VAL  28  -2.010  -3.295  -3.009
  211   HG22  VAL  28          HG22      VAL  28  -0.552  -2.404  -3.486
  212   HG23  VAL  28          HG23      VAL  28  -0.949  -3.955  -4.271
  213    H    LYS  29           H        LYS  29   1.619  -2.032  -3.729
  214    HA   LYS  29           HA       LYS  29   3.164  -0.985  -1.447
  215    HB2  LYS  29           HB2      LYS  29   4.716   0.081  -3.281
  216    HB3  LYS  29           HB3      LYS  29   5.055  -1.520  -2.639
  217    HG2  LYS  29           HG2      LYS  29   3.286  -1.377  -5.066
  218    HG3  LYS  29           HG3      LYS  29   4.998  -0.986  -5.279
  219    HD2  LYS  29           HD2      LYS  29   5.741  -3.102  -4.496
  220    HD3  LYS  29           HD3      LYS  29   4.172  -3.498  -3.796
  221    HE2  LYS  29           HE2      LYS  29   4.545  -4.732  -5.874
  222    HE3  LYS  29           HE3      LYS  29   3.157  -3.639  -6.002
  223    HZ1  LYS  29           HZ1      LYS  29   4.581  -3.551  -7.944
  224    HZ2  LYS  29           HZ2      LYS  29   4.517  -2.098  -7.186
  225    HZ3  LYS  29           HZ3      LYS  29   5.854  -3.055  -7.029
  226    H    LYS  30           H        LYS  30   3.634   1.441  -1.906
  227    HA   LYS  30           HA       LYS  30   1.155   2.799  -2.164
  228    HB2  LYS  30           HB2      LYS  30   3.093   3.708  -0.964
  229    HB3  LYS  30           HB3      LYS  30   4.013   3.819  -2.483
  230    HG2  LYS  30           HG2      LYS  30   2.382   5.411  -3.392
  231    HG3  LYS  30           HG3      LYS  30   1.368   5.225  -1.946
  232    HD2  LYS  30           HD2      LYS  30   3.203   6.164  -0.565
  233    HD3  LYS  30           HD3      LYS  30   4.217   6.318  -2.029
  234    HE2  LYS  30           HE2      LYS  30   2.452   7.774  -3.038
  235    HE3  LYS  30           HE3      LYS  30   1.527   7.664  -1.536
  236    HZ1  LYS  30           HZ1      LYS  30   4.222   8.820  -1.789
  237    HZ2  LYS  30           HZ2      LYS  30   2.817   9.661  -1.616
  238    HZ3  LYS  30           HZ3      LYS  30   3.361   8.695  -0.395
  239    H    SER  31           H        SER  31   3.620   1.955  -4.567
  240    HA   SER  31           HA       SER  31   2.536   3.693  -6.619
  241    HB2  SER  31           HB2      SER  31   4.217   2.587  -8.050
  242    HB3  SER  31           HB3      SER  31   4.913   3.167  -6.522
  243    HG   SER  31           HG       SER  31   5.551   1.022  -7.044
  244    H    ASP  32           H        ASP  32   1.545   0.707  -5.314
  245    HA   ASP  32           HA       ASP  32   0.199  -0.103  -7.822
  246    HB2  ASP  32           HB2      ASP  32   0.910  -1.404  -5.216
  247    HB3  ASP  32           HB3      ASP  32  -0.549  -1.958  -6.017
  248    H    VAL  33           H        VAL  33  -0.444   1.095  -4.485
  249    HA   VAL  33           HA       VAL  33  -3.297   0.816  -4.761
  250    HB   VAL  33           HB       VAL  33  -1.616   2.512  -2.872
  251   HG11  VAL  33          HG11      VAL  33  -3.909   3.393  -3.028
  252   HG12  VAL  33          HG12      VAL  33  -4.574   1.765  -2.773
  253   HG13  VAL  33          HG13      VAL  33  -3.655   2.571  -1.477
  254   HG21  VAL  33          HG21      VAL  33  -2.172   0.678  -1.281
  255   HG22  VAL  33          HG22      VAL  33  -3.009  -0.190  -2.584
  256   HG23  VAL  33          HG23      VAL  33  -1.249   0.068  -2.669
  257    H    GLU  34           H        GLU  34  -0.966   3.415  -5.567
  258    HA   GLU  34           HA       GLU  34  -3.145   5.208  -6.278
  259    HB2  GLU  34           HB2      GLU  34  -1.486   6.775  -6.900
  260    HB3  GLU  34           HB3      GLU  34  -0.948   6.001  -5.396
  261    HG2  GLU  34           HG2      GLU  34   0.535   4.506  -6.740
  262    HG3  GLU  34           HG3      GLU  34   0.032   5.351  -8.210
  263    H    ALA  35           H        ALA  35  -2.222   2.412  -7.651
  264    HA   ALA  35           HA       ALA  35  -2.770   3.390 -10.414
  265    HB1  ALA  35           HB1      ALA  35  -1.489   1.447 -11.181
  266    HB2  ALA  35           HB2      ALA  35  -0.501   2.449 -10.092
  267    HB3  ALA  35           HB3      ALA  35  -1.230   0.935  -9.497
  268    H    ILE  36           H        ILE  36  -4.038   1.707  -7.753
  269    HA   ILE  36           HA       ILE  36  -5.855   0.060  -9.449
  270    HB   ILE  36           HB       ILE  36  -5.023  -0.062  -6.536
  271   HG12  ILE  36          HG12      ILE  36  -4.741  -2.189  -8.694
  272   HG13  ILE  36          HG13      ILE  36  -3.513  -0.936  -8.475
  273   HG21  ILE  36          HG21      ILE  36  -7.030  -1.788  -8.048
  274   HG22  ILE  36          HG22      ILE  36  -6.414  -2.143  -6.420
  275   HG23  ILE  36          HG23      ILE  36  -7.399  -0.699  -6.692
  276   HD11  ILE  36          HD11      ILE  36  -4.413  -2.948  -6.373
  277   HD12  ILE  36          HD12      ILE  36  -2.844  -2.883  -7.204
  278   HD13  ILE  36          HD13      ILE  36  -3.301  -1.587  -6.075
  279    H    PHE  37           H        PHE  37  -5.672   2.894  -7.411
  280    HA   PHE  37           HA       PHE  37  -8.655   3.015  -7.330
  281    HB2  PHE  37           HB2      PHE  37  -6.534   4.124  -5.471
  282    HB3  PHE  37           HB3      PHE  37  -8.221   4.626  -5.418
  283    HD1  PHE  37           HD2      PHE  37  -6.112   1.514  -5.296
  284    HD2  PHE  37           HD1      PHE  37  -9.740   3.486  -4.109
  285    HE1  PHE  37           HE2      PHE  37  -6.708  -0.435  -3.894
  286    HE2  PHE  37           HE1      PHE  37 -10.346   1.531  -2.700
  287    HZ   PHE  37           HZ       PHE  37  -8.806  -0.429  -2.578
  288    H    SER  38           H        SER  38  -5.926   4.339  -8.905
  289    HA   SER  38           HA       SER  38  -6.974   7.040  -9.118
  290    HB2  SER  38           HB2      SER  38  -4.575   6.532  -9.224
  291    HB3  SER  38           HB3      SER  38  -4.835   5.596 -10.718
  292    HG   SER  38           HG       SER  38  -4.166   7.752 -11.122
  293    H    LYS  39           H        LYS  39  -7.930   4.089 -10.472
  294    HA   LYS  39           HA       LYS  39  -8.816   5.184 -13.041
  295    HB2  LYS  39           HB2      LYS  39  -9.727   2.962 -13.411
  296    HB3  LYS  39           HB3      LYS  39  -8.057   2.835 -12.826
  297    HG2  LYS  39           HG2      LYS  39  -8.857   2.319 -10.560
  298    HG3  LYS  39           HG3      LYS  39 -10.544   2.572 -11.070
  299    HD2  LYS  39           HD2      LYS  39 -10.344   0.703 -12.673
  300    HD3  LYS  39           HD3      LYS  39  -8.677   0.407 -12.120
  301    HE2  LYS  39           HE2      LYS  39  -9.485  -0.012  -9.837
  302    HE3  LYS  39           HE3      LYS  39 -11.139   0.407 -10.316
  303    HZ1  LYS  39           HZ1      LYS  39  -9.600  -1.886 -11.324
  304    HZ2  LYS  39           HZ2      LYS  39 -10.857  -1.932 -10.257
  305    HZ3  LYS  39           HZ3      LYS  39 -11.118  -1.470 -11.811
  306    H    TYR  40           H        TYR  40  -9.925   5.450  -9.888
  307    HA   TYR  40           HA       TYR  40 -12.756   5.759 -10.785
  308    HB2  TYR  40           HB2      TYR  40 -11.528   4.544  -8.335
  309    HB3  TYR  40           HB3      TYR  40 -13.078   5.361  -8.176
  310    HD1  TYR  40           HD1      TYR  40 -14.691   4.769 -10.370
  311    HD2  TYR  40           HD2      TYR  40 -11.782   2.217  -8.489
  312    HE1  TYR  40           HE1      TYR  40 -15.914   2.777 -11.198
  313    HE2  TYR  40           HE2      TYR  40 -13.022   0.214  -9.304
  314    HH   TYR  40           HH       TYR  40 -15.982   0.487 -11.294
  315    H    GLY  41           H        GLY  41 -10.026   7.510  -9.893
  316    HA2  GLY  41           HA2      GLY  41 -11.428   9.931  -9.777
  317    HA3  GLY  41           HA3      GLY  41 -11.200   9.402  -8.098
  318    H    LYS  42           H        LYS  42 -10.100  11.780  -8.943
  319    HA   LYS  42           HA       LYS  42  -7.292  11.390  -9.641
  320    HB2  LYS  42           HB2      LYS  42  -8.336  13.418 -10.398
  321    HB3  LYS  42           HB3      LYS  42  -8.965  13.774  -8.779
  322    HG2  LYS  42           HG2      LYS  42  -7.030  15.198  -9.291
  323    HG3  LYS  42           HG3      LYS  42  -6.713  14.141  -7.918
  324    HD2  LYS  42           HD2      LYS  42  -5.505  12.560  -9.487
  325    HD3  LYS  42           HD3      LYS  42  -5.695  13.780 -10.767
  326    HE2  LYS  42           HE2      LYS  42  -4.527  15.432  -9.321
  327    HE3  LYS  42           HE3      LYS  42  -4.360  14.194  -8.058
  328    HZ1  LYS  42           HZ1      LYS  42  -3.023  12.908  -9.568
  329    HZ2  LYS  42           HZ2      LYS  42  -3.190  14.034 -10.756
  330    HZ3  LYS  42           HZ3      LYS  42  -2.365  14.402  -9.385
  331    H    ILE  43           H        ILE  43  -5.925  10.521  -8.186
  332    HA   ILE  43           HA       ILE  43  -6.402  10.889  -5.312
  333    HB   ILE  43           HB       ILE  43  -4.240   9.418  -6.863
  334   HG12  ILE  43          HG12      ILE  43  -6.724   8.503  -5.352
  335   HG13  ILE  43          HG13      ILE  43  -6.480   8.446  -7.111
  336   HG21  ILE  43          HG21      ILE  43  -4.875   9.436  -3.881
  337   HG22  ILE  43          HG22      ILE  43  -3.627   8.438  -4.674
  338   HG23  ILE  43          HG23      ILE  43  -3.449  10.193  -4.630
  339   HD11  ILE  43          HD11      ILE  43  -4.949   6.828  -5.026
  340   HD12  ILE  43          HD12      ILE  43  -6.172   6.237  -6.151
  341   HD13  ILE  43          HD13      ILE  43  -4.618   6.840  -6.779
  342    H    VAL  44           H        VAL  44  -5.569  12.489  -4.154
  343    HA   VAL  44           HA       VAL  44  -3.296  14.052  -5.284
  344    HB   VAL  44           HB       VAL  44  -4.187  15.901  -3.808
  345   HG11  VAL  44          HG11      VAL  44  -5.989  14.900  -6.047
  346   HG12  VAL  44          HG12      VAL  44  -5.841  16.583  -5.470
  347   HG13  VAL  44          HG13      VAL  44  -4.468  15.794  -6.273
  348   HG21  VAL  44          HG21      VAL  44  -5.686  14.477  -2.394
  349   HG22  VAL  44          HG22      VAL  44  -6.552  15.814  -3.186
  350   HG23  VAL  44          HG23      VAL  44  -6.701  14.170  -3.826
  351    H    GLY  45           H        GLY  45  -3.974  11.695  -3.109
  352    HA2  GLY  45           HA2      GLY  45  -1.398  11.920  -1.893
  353    HA3  GLY  45           HA3      GLY  45  -2.661  12.357  -0.724
  354    H    CYS  46           H        CYS  46  -0.818   9.939  -0.896
  355    HA   CYS  46           HA       CYS  46  -2.885   8.006  -0.206
  356    HB2  CYS  46           HB2      CYS  46  -2.026   6.280  -1.797
  357    HB3  CYS  46           HB3      CYS  46  -2.859   7.632  -2.589
  358    HG   CYS  46           HG       CYS  46  -0.808   6.882  -4.027
  359    H    SER  47           H        SER  47  -2.038   6.148   0.872
  360    HA   SER  47           HA       SER  47   0.838   6.014   1.418
  361    HB2  SER  47           HB2      SER  47  -0.010   7.740   3.015
  362    HB3  SER  47           HB3      SER  47  -1.151   6.549   3.666
  363    HG   SER  47           HG       SER  47   0.847   6.686   4.828
  364    H    VAL  48           H        VAL  48   1.375   4.058   2.667
  365    HA   VAL  48           HA       VAL  48  -0.794   2.026   2.721
  366    HB   VAL  48           HB       VAL  48   1.905   1.690   1.368
  367   HG11  VAL  48          HG11      VAL  48  -0.400  -0.279   1.761
  368   HG12  VAL  48          HG12      VAL  48   1.024  -0.549   0.729
  369   HG13  VAL  48          HG13      VAL  48   1.220  -0.397   2.482
  370   HG21  VAL  48          HG21      VAL  48   0.356   2.945  -0.047
  371   HG22  VAL  48          HG22      VAL  48   0.502   1.287  -0.666
  372   HG23  VAL  48          HG23      VAL  48  -0.933   1.761   0.266
  373    H    HIS  49           H        HIS  49  -0.462   0.346   4.209
  374    HA   HIS  49           HA       HIS  49   1.793   0.658   6.106
  375    HB2  HIS  49           HB2      HIS  49  -1.122   0.530   6.937
  376    HB3  HIS  49           HB3      HIS  49   0.274   0.817   7.981
  377    HD2  HIS  49           HD3      HIS  49  -2.010   2.556   5.405
  378    HE1  HIS  49           HE1      HIS  49   0.332   5.619   7.189
  379    HE2  HIS  49           HE2      HIS  49  -1.623   5.136   5.630
  380    H    LYS  50           H        LYS  50   1.054  -1.203   7.993
  381    HA   LYS  50           HA       LYS  50   1.011  -3.724   6.484
  382    HB2  LYS  50           HB2      LYS  50   1.283  -2.939   9.391
  383    HB3  LYS  50           HB3      LYS  50   0.926  -4.612   8.950
  384    HG2  LYS  50           HG2      LYS  50   3.329  -3.063   7.894
  385    HG3  LYS  50           HG3      LYS  50   3.360  -4.159   9.285
  386    HD2  LYS  50           HD2      LYS  50   2.441  -5.981   7.773
  387    HD3  LYS  50           HD3      LYS  50   2.685  -4.882   6.403
  388    HE2  LYS  50           HE2      LYS  50   4.575  -6.387   6.571
  389    HE3  LYS  50           HE3      LYS  50   5.103  -4.739   6.970
  390    HZ1  LYS  50           HZ1      LYS  50   4.472  -6.888   8.884
  391    HZ2  LYS  50           HZ2      LYS  50   5.973  -6.341   8.509
  392    HZ3  LYS  50           HZ3      LYS  50   4.918  -5.355   9.299
  393    H    GLY  51           H        GLY  51  -0.711  -4.865   5.988
  394    HA2  GLY  51           HA2      GLY  51  -2.783  -5.822   6.080
  395    HA3  GLY  51           HA3      GLY  51  -2.975  -5.150   7.708
  396    H    PHE  52           H        PHE  52  -2.399  -2.352   6.198
  397    HA   PHE  52           HA       PHE  52  -4.945  -2.138   4.749
  398    HB2  PHE  52           HB2      PHE  52  -5.734  -0.235   6.046
  399    HB3  PHE  52           HB3      PHE  52  -5.647  -1.679   7.038
  400    HD1  PHE  52           HD1      PHE  52  -3.906  -1.910   8.786
  401    HD2  PHE  52           HD2      PHE  52  -4.341   1.692   6.478
  402    HE1  PHE  52           HE1      PHE  52  -2.530  -0.677  10.447
  403    HE2  PHE  52           HE2      PHE  52  -2.964   2.912   8.124
  404    HZ   PHE  52           HZ       PHE  52  -2.040   1.728  10.105
  405    H    ALA  53           H        ALA  53  -5.231   0.114   3.863
  406    HA   ALA  53           HA       ALA  53  -2.785   1.728   3.603
  407    HB1  ALA  53           HB1      ALA  53  -4.232   0.491   1.220
  408    HB2  ALA  53           HB2      ALA  53  -2.960   1.731   1.132
  409    HB3  ALA  53           HB3      ALA  53  -2.581   0.117   1.770
  410    H    PHE  54           H        PHE  54  -3.316   3.781   2.376
  411    HA   PHE  54           HA       PHE  54  -6.179   4.539   2.655
  412    HB2  PHE  54           HB2      PHE  54  -3.820   5.698   4.106
  413    HB3  PHE  54           HB3      PHE  54  -5.080   6.792   3.544
  414    HD1  PHE  54           HD1      PHE  54  -7.506   6.286   4.119
  415    HD2  PHE  54           HD2      PHE  54  -4.164   4.528   6.187
  416    HE1  PHE  54           HE1      PHE  54  -8.976   5.751   6.044
  417    HE2  PHE  54           HE2      PHE  54  -5.637   3.973   8.091
  418    HZ   PHE  54           HZ       PHE  54  -8.046   4.595   8.022
  419    H    VAL  55           H        VAL  55  -6.921   6.093   1.327
  420    HA   VAL  55           HA       VAL  55  -5.043   7.316  -0.625
  421    HB   VAL  55           HB       VAL  55  -7.656   5.882  -1.274
  422   HG11  VAL  55          HG11      VAL  55  -5.780   7.508  -3.037
  423   HG12  VAL  55          HG12      VAL  55  -7.127   6.502  -3.624
  424   HG13  VAL  55          HG13      VAL  55  -7.466   7.917  -2.620
  425   HG21  VAL  55          HG21      VAL  55  -5.740   4.345  -1.018
  426   HG22  VAL  55          HG22      VAL  55  -6.196   4.490  -2.725
  427   HG23  VAL  55          HG23      VAL  55  -4.771   5.361  -2.113
  428    H    GLN  56           H        GLN  56  -5.517   9.364  -1.158
  429    HA   GLN  56           HA       GLN  56  -7.903  10.606   0.124
  430    HB2  GLN  56           HB2      GLN  56  -5.743  11.122   1.234
  431    HB3  GLN  56           HB3      GLN  56  -5.120  11.764  -0.303
  432    HG2  GLN  56           HG2      GLN  56  -5.818  13.618   1.046
  433    HG3  GLN  56           HG3      GLN  56  -6.987  13.452  -0.271
  434   HE21  GLN  56          HE21      GLN  56  -9.125  12.903   0.204
  435   HE22  GLN  56          HE22      GLN  56  -9.738  12.766   1.838
  436    H    TYR  57           H        TYR  57  -9.308  11.027  -1.420
  437    HA   TYR  57           HA       TYR  57  -8.434  11.764  -4.143
  438    HB2  TYR  57           HB2      TYR  57 -11.152  11.230  -2.899
  439    HB3  TYR  57           HB3      TYR  57 -10.929  11.812  -4.541
  440    HD1  TYR  57           HD1      TYR  57  -8.820  10.317  -5.723
  441    HD2  TYR  57           HD2      TYR  57 -11.759   9.012  -2.882
  442    HE1  TYR  57           HE1      TYR  57  -8.718   8.023  -6.684
  443    HE2  TYR  57           HE2      TYR  57 -11.685   6.710  -3.867
  444    HH   TYR  57           HH       TYR  57  -9.578   5.909  -6.616
  445    H    VAL  58           H        VAL  58 -10.105  13.532  -5.101
  446    HA   VAL  58           HA       VAL  58  -9.407  15.991  -3.688
  447    HB   VAL  58           HB       VAL  58 -10.847  15.443  -6.317
  448   HG11  VAL  58          HG11      VAL  58  -9.791  18.054  -5.146
  449   HG12  VAL  58          HG12      VAL  58 -10.338  17.831  -6.822
  450   HG13  VAL  58          HG13      VAL  58 -11.492  17.657  -5.487
  451   HG21  VAL  58          HG21      VAL  58  -8.457  14.743  -6.255
  452   HG22  VAL  58          HG22      VAL  58  -8.699  16.149  -7.311
  453   HG23  VAL  58          HG23      VAL  58  -8.014  16.372  -5.684
  454    H    ASN  59           H        ASN  59 -12.224  13.917  -4.077
  455    HA   ASN  59           HA       ASN  59 -13.777  15.680  -2.315
  456    HB2  ASN  59           HB2      ASN  59 -15.680  15.819  -3.924
  457    HB3  ASN  59           HB3      ASN  59 -14.230  16.642  -4.510
  458   HD21  ASN  59          HD21      ASN  59 -13.796  16.259  -6.615
  459   HD22  ASN  59          HD22      ASN  59 -14.198  14.782  -7.478
  460    H    GLU  60           H        GLU  60 -16.082  14.728  -2.105
  461    HA   GLU  60           HA       GLU  60 -15.785  12.099  -0.976
  462    HB2  GLU  60           HB2      GLU  60 -17.201  13.656   0.123
  463    HB3  GLU  60           HB3      GLU  60 -18.034  14.094  -1.379
  464    HG2  GLU  60           HG2      GLU  60 -19.148  11.953  -1.484
  465    HG3  GLU  60           HG3      GLU  60 -18.216  11.341  -0.115
  466    H    ARG  61           H        ARG  61 -17.153  13.340  -3.992
  467    HA   ARG  61           HA       ARG  61 -18.698  11.079  -4.737
  468    HB2  ARG  61           HB2      ARG  61 -19.200  12.932  -5.961
  469    HB3  ARG  61           HB3      ARG  61 -17.564  13.560  -5.905
  470    HG2  ARG  61           HG2      ARG  61 -18.036  13.120  -8.173
  471    HG3  ARG  61           HG3      ARG  61 -16.831  11.963  -7.623
  472    HD2  ARG  61           HD2      ARG  61 -18.455  10.771  -8.962
  473    HD3  ARG  61           HD3      ARG  61 -18.707  10.302  -7.261
  474    HE   ARG  61           HE       ARG  61 -20.377  12.535  -7.967
  475   HH11  ARG  61          HH11      ARG  61 -20.088   9.029  -8.383
  476   HH12  ARG  61          HH12      ARG  61 -21.804   8.797  -8.591
  477   HH21  ARG  61          HH21      ARG  61 -22.611  12.198  -8.230
  478   HH22  ARG  61          HH22      ARG  61 -23.234  10.581  -8.480
  479    H    ASN  62           H        ASN  62 -15.257  11.887  -5.212
  480    HA   ASN  62           HA       ASN  62 -14.660   9.653  -6.921
  481    HB2  ASN  62           HB2      ASN  62 -13.064  11.583  -5.219
  482    HB3  ASN  62           HB3      ASN  62 -12.280  10.213  -6.023
  483   HD21  ASN  62          HD21      ASN  62 -14.942  12.413  -7.141
  484   HD22  ASN  62          HD22      ASN  62 -14.109  12.875  -8.613
  485    H    ALA  63           H        ALA  63 -14.700  10.107  -3.360
  486    HA   ALA  63           HA       ALA  63 -13.317   7.657  -2.771
  487    HB1  ALA  63           HB1      ALA  63 -14.216   7.956  -0.508
  488    HB2  ALA  63           HB2      ALA  63 -13.545   9.483  -1.134
  489    HB3  ALA  63           HB3      ALA  63 -15.309   9.226  -1.089
  490    H    ARG  64           H        ARG  64 -16.823   8.427  -3.105
  491    HA   ARG  64           HA       ARG  64 -17.613   5.745  -2.340
  492    HB2  ARG  64           HB2      ARG  64 -19.118   7.971  -3.758
  493    HB3  ARG  64           HB3      ARG  64 -19.844   6.480  -3.117
  494    HG2  ARG  64           HG2      ARG  64 -18.984   7.055  -0.846
  495    HG3  ARG  64           HG3      ARG  64 -18.322   8.572  -1.492
  496    HD2  ARG  64           HD2      ARG  64 -20.619   9.192  -2.250
  497    HD3  ARG  64           HD3      ARG  64 -21.254   7.767  -1.412
  498    HE   ARG  64           HE       ARG  64 -20.424  10.284  -0.233
  499   HH11  ARG  64          HH11      ARG  64 -20.716   6.814   0.465
  500   HH12  ARG  64          HH12      ARG  64 -20.733   7.076   2.195
  501   HH21  ARG  64          HH21      ARG  64 -20.479  10.556   1.994
  502   HH22  ARG  64          HH22      ARG  64 -20.659   9.176   3.054
  503    H    ALA  65           H        ALA  65 -16.467   7.198  -5.285
  504    HA   ALA  65           HA       ALA  65 -17.577   5.285  -7.116
  505    HB1  ALA  65           HB1      ALA  65 -14.970   6.847  -7.289
  506    HB2  ALA  65           HB2      ALA  65 -15.847   6.103  -8.643
  507    HB3  ALA  65           HB3      ALA  65 -16.563   7.480  -7.770
  508    H    ALA  66           H        ALA  66 -14.535   5.378  -5.173
  509    HA   ALA  66           HA       ALA  66 -13.786   2.741  -6.263
  510    HB1  ALA  66           HB1      ALA  66 -12.117   4.517  -6.014
  511    HB2  ALA  66           HB2      ALA  66 -12.388   4.545  -4.255
  512    HB3  ALA  66           HB3      ALA  66 -11.711   3.090  -5.030
  513    H    VAL  67           H        VAL  67 -15.136   4.134  -3.293
  514    HA   VAL  67           HA       VAL  67 -14.714   1.800  -1.665
  515    HB   VAL  67           HB       VAL  67 -16.467   4.261  -1.477
  516   HG11  VAL  67          HG11      VAL  67 -16.450   1.882   0.417
  517   HG12  VAL  67          HG12      VAL  67 -17.113   3.497   0.801
  518   HG13  VAL  67          HG13      VAL  67 -17.839   2.525  -0.489
  519   HG21  VAL  67          HG21      VAL  67 -15.031   4.712   0.436
  520   HG22  VAL  67          HG22      VAL  67 -14.248   3.128   0.265
  521   HG23  VAL  67          HG23      VAL  67 -14.021   4.364  -0.992
  522    H    ALA  68           H        ALA  68 -17.001   2.582  -4.191
  523    HA   ALA  68           HA       ALA  68 -18.432   0.040  -3.543
  524    HB1  ALA  68           HB1      ALA  68 -20.285   0.931  -4.870
  525    HB2  ALA  68           HB2      ALA  68 -19.852   2.069  -3.577
  526    HB3  ALA  68           HB3      ALA  68 -19.340   2.389  -5.251
  527    H    GLY  69           H        GLY  69 -16.087   1.401  -5.626
  528    HA2  GLY  69           HA2      GLY  69 -16.826  -0.292  -7.932
  529    HA3  GLY  69           HA3      GLY  69 -15.555   0.942  -7.847
  530    H    GLU  70           H        GLU  70 -14.491  -0.263  -5.251
  531    HA   GLU  70           HA       GLU  70 -13.089  -2.619  -6.481
  532    HB2  GLU  70           HB2      GLU  70 -12.033  -0.377  -4.731
  533    HB3  GLU  70           HB3      GLU  70 -11.115  -1.829  -5.156
  534    HG2  GLU  70           HG2      GLU  70 -12.245   0.120  -7.207
  535    HG3  GLU  70           HG3      GLU  70 -10.605   0.199  -6.559
  536    H    ASP  71           H        ASP  71 -14.983  -1.485  -3.767
  537    HA   ASP  71           HA       ASP  71 -13.795  -3.035  -1.729
  538    HB2  ASP  71           HB2      ASP  71 -15.427  -1.341  -1.224
  539    HB3  ASP  71           HB3      ASP  71 -16.659  -2.165  -2.184
  540    H    GLY  72           H        GLY  72 -13.738  -5.141  -1.249
  541    HA2  GLY  72           HA2      GLY  72 -14.432  -7.338  -1.125
  542    HA3  GLY  72           HA3      GLY  72 -15.779  -6.996  -2.227
  543    H    ARG  73           H        ARG  73 -12.714  -5.853  -3.392
  544    HA   ARG  73           HA       ARG  73 -12.772  -8.007  -5.411
  545    HB2  ARG  73           HB2      ARG  73 -11.550  -6.678  -6.818
  546    HB3  ARG  73           HB3      ARG  73 -12.617  -5.525  -5.992
  547    HG2  ARG  73           HG2      ARG  73 -10.819  -4.679  -4.659
  548    HG3  ARG  73           HG3      ARG  73  -9.774  -6.061  -5.025
  549    HD2  ARG  73           HD2      ARG  73 -10.763  -4.176  -7.180
  550    HD3  ARG  73           HD3      ARG  73  -9.257  -3.906  -6.278
  551    HE   ARG  73           HE       ARG  73  -9.305  -6.582  -7.288
  552   HH11  ARG  73          HH11      ARG  73  -8.899  -3.245  -8.394
  553   HH12  ARG  73          HH12      ARG  73  -7.868  -3.698  -9.732
  554   HH21  ARG  73          HH21      ARG  73  -7.971  -7.134  -9.022
  555   HH22  ARG  73          HH22      ARG  73  -7.339  -5.900 -10.087
  556    H    MET  74           H        MET  74 -10.737  -9.035  -6.131
  557    HA   MET  74           HA       MET  74  -9.005  -9.593  -3.791
  558    HB2  MET  74           HB2      MET  74  -9.981 -11.550  -4.757
  559    HB3  MET  74           HB3      MET  74  -9.457 -11.097  -6.386
  560    HG2  MET  74           HG2      MET  74  -7.188 -11.494  -5.920
  561    HG3  MET  74           HG3      MET  74  -7.426 -11.389  -4.173
  562    HE1  MET  74           HE1      MET  74  -9.696 -13.177  -3.348
  563    HE2  MET  74           HE2      MET  74  -8.799 -14.683  -3.030
  564    HE3  MET  74           HE3      MET  74  -8.069 -13.102  -2.644
  565    H    ILE  75           H        ILE  75  -6.893  -9.180  -3.710
  566    HA   ILE  75           HA       ILE  75  -5.422  -8.370  -6.133
  567    HB   ILE  75           HB       ILE  75  -5.433  -6.751  -3.551
  568   HG12  ILE  75          HG12      ILE  75  -6.508  -5.985  -6.303
  569   HG13  ILE  75          HG13      ILE  75  -7.515  -6.448  -4.920
  570   HG21  ILE  75          HG21      ILE  75  -4.022  -6.273  -6.205
  571   HG22  ILE  75          HG22      ILE  75  -3.972  -5.196  -4.790
  572   HG23  ILE  75          HG23      ILE  75  -3.245  -6.801  -4.691
  573   HD11  ILE  75          HD11      ILE  75  -5.717  -4.006  -5.081
  574   HD12  ILE  75          HD12      ILE  75  -7.496  -4.054  -5.064
  575   HD13  ILE  75          HD13      ILE  75  -6.580  -4.529  -3.617
  576    H    ALA  76           H        ALA  76  -3.403  -9.219  -6.113
  577    HA   ALA  76           HA       ALA  76  -1.723 -10.598  -5.542
  578    HB1  ALA  76           HB1      ALA  76  -1.054  -8.544  -4.417
  579    HB2  ALA  76           HB2      ALA  76  -1.890  -9.071  -2.938
  580    HB3  ALA  76           HB3      ALA  76  -0.477  -9.978  -3.542
  581    H    GLY  77           H        GLY  77  -4.592 -11.515  -4.642
  582    HA2  GLY  77           HA2      GLY  77  -4.879 -13.881  -4.373
  583    HA3  GLY  77           HA3      GLY  77  -3.491 -13.921  -3.282
  584    H    GLN  78           H        GLN  78  -5.170 -11.198  -2.325
  585    HA   GLN  78           HA       GLN  78  -7.121 -12.708  -0.648
  586    HB2  GLN  78           HB2      GLN  78  -5.101 -10.650   0.283
  587    HB3  GLN  78           HB3      GLN  78  -6.552 -11.075   1.202
  588    HG2  GLN  78           HG2      GLN  78  -5.534 -12.844   2.088
  589    HG3  GLN  78           HG3      GLN  78  -5.276 -13.534   0.477
  590   HE21  GLN  78          HE21      GLN  78  -3.383 -12.557  -0.776
  591   HE22  GLN  78          HE22      GLN  78  -1.924 -12.236   0.148
  592    H    VAL  79           H        VAL  79  -8.823 -11.387   0.219
  593    HA   VAL  79           HA       VAL  79  -9.560  -9.201  -1.645
  594    HB   VAL  79           HB       VAL  79 -11.195 -10.767   0.385
  595   HG11  VAL  79          HG11      VAL  79 -12.047  -8.639  -1.621
  596   HG12  VAL  79          HG12      VAL  79 -13.154  -9.670  -0.697
  597   HG13  VAL  79          HG13      VAL  79 -12.117  -8.509   0.156
  598   HG21  VAL  79          HG21      VAL  79 -10.548 -12.073  -1.614
  599   HG22  VAL  79          HG22      VAL  79 -12.277 -11.688  -1.657
  600   HG23  VAL  79          HG23      VAL  79 -11.147 -10.760  -2.665
  601    H    LEU  80           H        LEU  80 -10.178  -7.200  -0.938
  602    HA   LEU  80           HA       LEU  80  -9.259  -6.459   1.801
  603    HB2  LEU  80           HB2      LEU  80  -9.007  -4.124   0.519
  604    HB3  LEU  80           HB3      LEU  80  -7.698  -5.253   0.770
  605    HG   LEU  80           HG       LEU  80  -7.701  -4.307  -1.459
  606   HD11  LEU  80          HD11      LEU  80  -7.264  -6.253  -2.709
  607   HD12  LEU  80          HD12      LEU  80  -6.808  -6.620  -1.025
  608   HD13  LEU  80          HD13      LEU  80  -8.307  -7.268  -1.740
  609   HD21  LEU  80          HD21      LEU  80 -10.163  -4.051  -1.685
  610   HD22  LEU  80          HD22      LEU  80 -10.300  -5.800  -1.962
  611   HD23  LEU  80          HD23      LEU  80  -9.372  -4.788  -3.101
  612    H    ASP  81           H        ASP  81 -10.414  -5.039   2.964
  613    HA   ASP  81           HA       ASP  81 -13.239  -4.754   2.123
  614    HB2  ASP  81           HB2      ASP  81 -12.700  -5.939   4.256
  615    HB3  ASP  81           HB3      ASP  81 -11.858  -4.500   4.828
  616    H    ILE  82           H        ILE  82 -13.474  -2.885   0.983
  617    HA   ILE  82           HA       ILE  82 -11.914  -0.519   1.850
  618    HB   ILE  82           HB       ILE  82 -13.392  -1.138  -0.714
  619   HG12  ILE  82          HG12      ILE  82 -10.394  -0.875  -0.252
  620   HG13  ILE  82          HG13      ILE  82 -11.228  -2.433  -0.176
  621   HG21  ILE  82          HG21      ILE  82 -13.347   1.282  -0.179
  622   HG22  ILE  82          HG22      ILE  82 -11.578   1.205  -0.013
  623   HG23  ILE  82          HG23      ILE  82 -12.351   0.912  -1.592
  624   HD11  ILE  82          HD11      ILE  82 -10.265  -2.063  -2.407
  625   HD12  ILE  82          HD12      ILE  82 -12.036  -2.186  -2.458
  626   HD13  ILE  82          HD13      ILE  82 -11.256  -0.597  -2.603
  627    H    ASN  83           H        ASN  83 -12.902   1.384   2.467
  628    HA   ASN  83           HA       ASN  83 -15.821   1.609   2.382
  629    HB2  ASN  83           HB2      ASN  83 -15.159   0.086   4.350
  630    HB3  ASN  83           HB3      ASN  83 -14.424   1.517   5.080
  631   HD21  ASN  83          HD21      ASN  83 -15.859   3.281   5.788
  632   HD22  ASN  83          HD22      ASN  83 -17.571   2.975   5.973
  633    H    LEU  84           H        LEU  84 -16.563   3.706   3.261
  634    HA   LEU  84           HA       LEU  84 -14.850   5.920   2.693
  635    HB2  LEU  84           HB2      LEU  84 -17.584   5.429   3.383
  636    HB3  LEU  84           HB3      LEU  84 -16.943   6.529   4.612
  637    HG   LEU  84           HG       LEU  84 -18.015   7.719   2.748
  638   HD11  LEU  84          HD11      LEU  84 -14.998   8.153   2.800
  639   HD12  LEU  84          HD12      LEU  84 -16.255   9.325   2.336
  640   HD13  LEU  84          HD13      LEU  84 -16.152   8.757   4.015
  641   HD21  LEU  84          HD21      LEU  84 -15.760   6.644   1.010
  642   HD22  LEU  84          HD22      LEU  84 -17.045   7.769   0.530
  643   HD23  LEU  84          HD23      LEU  84 -17.452   6.089   0.948
  644    H    ALA  85           H        ALA  85 -13.702   7.324   4.173
  645    HA   ALA  85           HA       ALA  85 -12.554   5.796   6.341
  646    HB1  ALA  85           HB1      ALA  85 -12.082   8.671   5.490
  647    HB2  ALA  85           HB2      ALA  85 -11.039   7.703   6.556
  648    HB3  ALA  85           HB3      ALA  85 -11.229   7.244   4.843
  649    H    ALA  86           H        ALA  86 -15.362   7.637   6.261
  650    HA   ALA  86           HA       ALA  86 -15.173   8.061   9.199
  651    HB1  ALA  86           HB1      ALA  86 -16.434   9.931   7.167
  652    HB2  ALA  86           HB2      ALA  86 -16.466  10.134   8.935
  653    HB3  ALA  86           HB3      ALA  86 -14.916  10.208   8.056
  654    H    GLU  87           H        GLU  87 -16.438   6.008   7.150
  655    HA   GLU  87           HA       GLU  87 -19.092   5.992   8.489
  656    HB2  GLU  87           HB2      GLU  87 -18.686   5.491   5.524
  657    HB3  GLU  87           HB3      GLU  87 -20.221   5.465   6.418
  658    HG2  GLU  87           HG2      GLU  87 -19.897   7.881   6.974
  659    HG3  GLU  87           HG3      GLU  87 -18.442   7.897   5.964
  660    HA   PRO  88           HA       PRO  88 -16.789   1.852   8.113
  661    HB2  PRO  88           HB2      PRO  88 -16.184   1.359  10.740
  662    HB3  PRO  88           HB3      PRO  88 -15.123   2.290   9.643
  663    HG2  PRO  88           HG2      PRO  88 -17.174   3.384  11.596
  664    HG3  PRO  88           HG3      PRO  88 -15.453   3.874  11.410
  665    HD2  PRO  88           HD2      PRO  88 -17.432   5.279  10.222
  666    HD3  PRO  88           HD3      PRO  88 -15.900   4.961   9.354
  667    H    LYS  89           H        LYS  89 -17.838  -0.057   8.335
  668    HA   LYS  89           HA       LYS  89 -20.214  -0.230  10.121
  669    HB2  LYS  89           HB2      LYS  89 -20.042  -1.036   7.190
  670    HB3  LYS  89           HB3      LYS  89 -21.402  -1.408   8.259
  671    HG2  LYS  89           HG2      LYS  89 -20.465   1.398   7.545
  672    HG3  LYS  89           HG3      LYS  89 -21.820   0.548   6.781
  673    HD2  LYS  89           HD2      LYS  89 -22.975   0.392   8.970
  674    HD3  LYS  89           HD3      LYS  89 -21.634   1.267   9.741
  675    HE2  LYS  89           HE2      LYS  89 -22.029   3.197   8.232
  676    HE3  LYS  89           HE3      LYS  89 -23.369   2.327   7.475
  677    HZ1  LYS  89           HZ1      LYS  89 -23.231   3.095  10.313
  678    HZ2  LYS  89           HZ2      LYS  89 -24.135   3.848   9.165
  679    HZ3  LYS  89           HZ3      LYS  89 -24.485   2.308   9.598
  680    H    VAL  90           H        VAL  90 -17.244  -1.341   9.595
  681    HA   VAL  90           HA       VAL  90 -17.929  -4.216   9.943
  682    HB   VAL  90           HB       VAL  90 -16.522  -3.584   8.000
  683   HG11  VAL  90          HG11      VAL  90 -14.479  -2.792  10.123
  684   HG12  VAL  90          HG12      VAL  90 -14.185  -2.885   8.374
  685   HG13  VAL  90          HG13      VAL  90 -15.313  -1.677   9.012
  686   HG21  VAL  90          HG21      VAL  90 -16.372  -5.824   9.060
  687   HG22  VAL  90          HG22      VAL  90 -14.853  -5.318   8.309
  688   HG23  VAL  90          HG23      VAL  90 -15.024  -5.242  10.072
  689    H    ASN  91           H        ASN  91 -16.759  -5.455  11.509
  690    HA   ASN  91           HA       ASN  91 -16.582  -3.982  14.012
  691    HB2  ASN  91           HB2      ASN  91 -16.017  -6.928  13.590
  692    HB3  ASN  91           HB3      ASN  91 -16.631  -6.122  15.044
  693   HD21  ASN  91          HD21      ASN  91 -17.390  -7.353  11.838
  694   HD22  ASN  91          HD22      ASN  91 -19.135  -7.294  11.993
  695    H    ARG  92           H        ARG  92 -14.412  -4.344  11.610
  696    HA   ARG  92           HA       ARG  92 -12.177  -4.615  11.373
  697    HB2  ARG  92           HB2      ARG  92 -12.294  -2.970  13.926
  698    HB3  ARG  92           HB3      ARG  92 -10.810  -3.237  12.988
  699    HG2  ARG  92           HG2      ARG  92 -11.988  -2.357  10.957
  700    HG3  ARG  92           HG3      ARG  92 -13.372  -1.939  11.990
  701    HD2  ARG  92           HD2      ARG  92 -10.530  -0.862  12.279
  702    HD3  ARG  92           HD3      ARG  92 -11.893   0.014  11.593
  703    HE   ARG  92           HE       ARG  92 -12.964   0.040  13.776
  704   HH11  ARG  92          HH11      ARG  92  -9.565  -0.988  13.782
  705   HH12  ARG  92          HH12      ARG  92  -9.356  -0.636  15.477
  706   HH21  ARG  92          HH21      ARG  92 -12.640   0.494  15.970
  707   HH22  ARG  92          HH22      ARG  92 -11.086   0.204  16.709
  708    H    GLY  93           H        GLY  93 -13.146  -6.924  12.097
  709    HA2  GLY  93           HA2      GLY  93 -12.002  -8.068  14.472
  710    HA3  GLY  93           HA3      GLY  93 -12.752  -8.928  13.102
  711    H    LYS  94           H        LYS  94 -10.359  -6.951  11.866
  712    HA   LYS  94           HA       LYS  94  -8.354  -7.290  10.928
  713    HB2  LYS  94           HB2      LYS  94  -7.814  -8.963  13.387
  714    HB3  LYS  94           HB3      LYS  94  -6.605  -8.243  12.302
  715    HG2  LYS  94           HG2      LYS  94  -7.599  -5.975  12.819
  716    HG3  LYS  94           HG3      LYS  94  -8.631  -6.751  14.032
  717    HD2  LYS  94           HD2      LYS  94  -5.588  -6.713  14.034
  718    HD3  LYS  94           HD3      LYS  94  -6.656  -5.786  15.102
  719    HE2  LYS  94           HE2      LYS  94  -7.564  -7.895  16.030
  720    HE3  LYS  94           HE3      LYS  94  -6.481  -8.823  14.976
  721    HZ1  LYS  94           HZ1      LYS  94  -5.626  -6.929  17.054
  722    HZ2  LYS  94           HZ2      LYS  94  -5.566  -8.565  17.172
  723    HZ3  LYS  94           HZ3      LYS  94  -4.621  -7.790  16.073
  724    H    ALA  95           H        ALA  95 -10.468  -9.860  11.092
  725    HA   ALA  95           HA       ALA  95  -9.133 -11.140   8.834
  726    HB1  ALA  95           HB1      ALA  95  -9.072 -13.389   9.892
  727    HB2  ALA  95           HB2      ALA  95  -8.006 -12.261  10.748
  728    HB3  ALA  95           HB3      ALA  95  -9.592 -12.678  11.435
  729    H    GLY  96           H        GLY  96 -11.803 -10.894  11.160
  730    HA2  GLY  96           HA2      GLY  96 -14.067 -10.891  10.704
  731    HA3  GLY  96           HA3      GLY  96 -13.737 -11.364   9.030
  732    H    VAL  97           H        VAL  97 -11.972 -13.435  10.921
  733    HA   VAL  97           HA       VAL  97 -14.176 -15.443  11.106
  734    HB   VAL  97           HB       VAL  97 -11.263 -15.918  10.381
  735   HG11  VAL  97          HG11      VAL  97 -13.722 -17.715  10.261
  736   HG12  VAL  97          HG12      VAL  97 -12.115 -18.146   9.641
  737   HG13  VAL  97          HG13      VAL  97 -12.343 -17.878  11.381
  738   HG21  VAL  97          HG21      VAL  97 -12.350 -14.640   8.598
  739   HG22  VAL  97          HG22      VAL  97 -12.104 -16.316   8.070
  740   HG23  VAL  97          HG23      VAL  97 -13.722 -15.773   8.589
  741    H    LYS  98           H        LYS  98 -11.393 -13.912  12.595
  742    HA   LYS  98           HA       LYS  98 -11.668 -15.728  14.944
  743    HB2  LYS  98           HB2      LYS  98  -9.124 -14.678  13.644
  744    HB3  LYS  98           HB3      LYS  98  -9.172 -15.469  15.228
  745    HG2  LYS  98           HG2      LYS  98 -10.061 -16.738  12.611
  746    HG3  LYS  98           HG3      LYS  98  -8.491 -16.981  13.400
  747    HD2  LYS  98           HD2      LYS  98  -9.643 -17.894  15.412
  748    HD3  LYS  98           HD3      LYS  98 -11.205 -17.702  14.588
  749    HE2  LYS  98           HE2      LYS  98 -10.493 -19.988  14.333
  750    HE3  LYS  98           HE3      LYS  98 -10.402 -19.172  12.757
  751    HZ1  LYS  98           HZ1      LYS  98  -8.132 -19.686  14.567
  752    HZ2  LYS  98           HZ2      LYS  98  -8.457 -20.503  13.182
  753    HZ3  LYS  98           HZ3      LYS  98  -8.031 -18.918  13.118
  754    H    ARG  99           H        ARG  99 -10.877 -14.851  16.944
  755    HA   ARG  99           HA       ARG  99 -11.633 -12.026  17.323
  756    HB2  ARG  99           HB2      ARG  99 -11.127 -14.396  19.108
  757    HB3  ARG  99           HB3      ARG  99 -11.258 -12.749  19.746
  758    HG2  ARG  99           HG2      ARG  99 -13.466 -12.507  18.544
  759    HG3  ARG  99           HG3      ARG  99 -13.373 -14.251  18.145
  760    HD2  ARG  99           HD2      ARG  99 -13.064 -14.723  20.572
  761    HD3  ARG  99           HD3      ARG  99 -13.185 -12.972  20.882
  762    HE   ARG  99           HE       ARG  99 -15.518 -14.022  19.503
  763   HH11  ARG  99          HH11      ARG  99 -13.960 -13.569  22.638
  764   HH12  ARG  99          HH12      ARG  99 -15.451 -13.612  23.538
  765   HH21  ARG  99          HH21      ARG  99 -17.484 -14.070  20.695
  766   HH22  ARG  99          HH22      ARG  99 -17.450 -13.881  22.433
  767    H    SER 100           H        SER 100 -10.341 -10.702  18.808
  768    HA   SER 100           HA       SER 100  -7.495 -10.691  18.132
  769    HB2  SER 100           HB2      SER 100  -9.186  -8.942  19.962
  770    HB3  SER 100           HB3      SER 100  -7.490  -8.633  19.518
  771    HG   SER 100           HG       SER 100  -9.023  -7.519  18.193
  772    H    ALA 101           H        ALA 101  -5.837 -10.505  19.925
  773    HA   ALA 101           HA       ALA 101  -6.099 -12.768  21.671
  774    HB1  ALA 101           HB1      ALA 101  -4.037 -10.525  21.615
  775    HB2  ALA 101           HB2      ALA 101  -3.858 -12.084  22.449
  776    HB3  ALA 101           HB3      ALA 101  -3.958 -12.036  20.679
  777    H    ALA 102           H        ALA 102  -7.262  -9.581  21.970
  778    HA   ALA 102           HA       ALA 102  -7.181  -9.596  24.928
  779    HB1  ALA 102           HB1      ALA 102  -8.180  -7.540  22.932
  780    HB2  ALA 102           HB2      ALA 102  -8.053  -7.311  24.689
  781    HB3  ALA 102           HB3      ALA 102  -6.581  -7.537  23.717
  782    H    GLU 103           H        GLU 103  -9.151 -10.756  22.433
  783    HA   GLU 103           HA       GLU 103 -11.547 -10.745  24.207
  784    HB2  GLU 103           HB2      GLU 103 -11.454 -10.593  21.167
  785    HB3  GLU 103           HB3      GLU 103 -12.922 -10.723  22.154
  786    HG2  GLU 103           HG2      GLU 103 -12.321  -8.581  23.280
  787    HG3  GLU 103           HG3      GLU 103 -10.926  -8.425  22.192
  788    H    MET 104           H        MET 104  -9.120 -12.636  23.357
  789    HA   MET 104           HA       MET 104 -10.140 -14.686  21.746
  790    HB2  MET 104           HB2      MET 104  -7.744 -14.161  22.296
  791    HB3  MET 104           HB3      MET 104  -8.000 -14.873  23.892
  792    HG2  MET 104           HG2      MET 104  -6.938 -16.505  22.574
  793    HG3  MET 104           HG3      MET 104  -8.604 -17.047  22.728
  794    HE1  MET 104           HE1      MET 104 -10.067 -17.658  20.899
  795    HE2  MET 104           HE2      MET 104 -10.401 -15.973  20.411
  796    HE3  MET 104           HE3      MET 104  -9.938 -17.172  19.191
  797    H    TYR 105           H        TYR 105 -10.713 -14.081  25.153
  798    HA   TYR 105           HA       TYR 105 -12.187 -16.663  25.314
  799    HB2  TYR 105           HB2      TYR 105 -10.396 -15.572  27.507
  800    HB3  TYR 105           HB3      TYR 105 -11.260 -17.111  27.495
  801    HD1  TYR 105           HD2      TYR 105 -10.617 -18.789  25.592
  802    HD2  TYR 105           HD1      TYR 105  -8.208 -15.430  26.746
  803    HE1  TYR 105           HE2      TYR 105  -8.648 -19.850  24.518
  804    HE2  TYR 105           HE1      TYR 105  -6.207 -16.503  25.725
  805    HH   TYR 105           HH       TYR 105  -5.398 -18.327  24.587
  806    H    GLY 106           H        GLY 106 -12.251 -13.359  25.604
  807    HA2  GLY 106           HA2      GLY 106 -13.773 -12.863  27.953
  808    HA3  GLY 106           HA3      GLY 106 -13.716 -11.833  26.512
  809    H5'    A   1           H5'        A   1   2.059 -12.948   8.212
  810   H5''    A   1          H5''        A   1   3.590 -12.629   7.374
  811    H4'    A   1           H4'        A   1   3.043 -11.947  10.309
  812    H3'    A   1           H3'        A   1   1.767 -10.619   8.355
  813    H2'    A   1           H2'        A   1   3.535 -10.466   6.812
  814   HO2'    A   1          HO2'        A   1   2.850  -8.297   7.280
  815    H1'    A   1           H1'        A   1   5.570  -9.576   8.757
  816    H8     A   1           H8         A   1   5.944  -9.391   5.796
  817    H61    A   1           H61        A   1   9.082 -14.574   4.487
  818    H62    A   1           H62        A   1   8.642 -12.977   3.909
  819    H2     A   1           H2         A   1   7.241 -15.135   8.407
  820    H5'    U   2           H5'        U   2   0.905  -7.154   9.199
  821   H5''    U   2          H5''        U   2   0.018  -7.008  10.728
  822    H4'    U   2           H4'        U   2  -1.461  -6.135   9.118
  823    H3'    U   2           H3'        U   2  -2.225  -8.383  10.550
  824    H2'    U   2           H2'        U   2  -1.678  -9.910   8.813
  825   HO2'    U   2          HO2'        U   2  -3.938 -10.169   9.316
  826    H1'    U   2           H1'        U   2  -2.910  -8.016   6.808
  827    H3     U   2           H3         U   2  -2.209 -11.288   3.717
  828    H5     U   2           H5         U   2   1.266 -11.422   6.075
  829    H6     U   2           H6         U   2   0.379  -9.597   7.390
  830    H5'    U   3           H5'        U   3  -4.979  -5.065   8.213
  831   H5''    U   3          H5''        U   3  -4.317  -3.925   9.399
  832    H4'    U   3           H4'        U   3  -6.092  -2.740   8.528
  833    H3'    U   3           H3'        U   3  -6.469  -3.701  11.205
  834    H2'    U   3           H2'        U   3  -8.394  -4.908  10.589
  835   HO2'    U   3          HO2'        U   3  -9.022  -2.721  11.680
  836    H1'    U   3           H1'        U   3  -8.836  -2.846   8.401
  837    H3     U   3           H3         U   3 -12.734  -4.779   7.079
  838    H5     U   3           H5         U   3 -10.577  -7.999   8.710
  839    H6     U   3           H6         U   3  -8.738  -6.460   9.137
  840    H5'    U   4           H5'        U   4  -6.198   0.735   9.828
  841   H5''    U   4          H5''        U   4  -5.401   1.058  11.379
  842    H4'    U   4           H4'        U   4  -5.860   3.164  10.354
  843    H3'    U   4           H3'        U   4  -7.049   2.460  12.895
  844    H2'    U   4           H2'        U   4  -9.233   2.691  12.102
  845   HO2'    U   4          HO2'        U   4  -8.335   5.339  12.577
  846    H1'    U   4           H1'        U   4  -8.168   4.781  10.174
  847    H3     U   4           H3         U   4 -12.239   5.757   8.537
  848    H5     U   4           H5         U   4 -12.539   1.645   9.372
  849    H6     U   4           H6         U   4 -10.279   1.712  10.237
  850    H5'    U   5           H5'        U   5  -3.900   3.241  10.691
  851   H5''    U   5          H5''        U   5  -2.550   3.410  11.831
  852    H4'    U   5           H4'        U   5  -1.668   4.026   9.723
  853    H3'    U   5           H3'        U   5  -1.639   5.826  11.805
  854    H2'    U   5           H2'        U   5  -3.490   7.121  11.121
  855   HO2'    U   5          HO2'        U   5  -1.349   8.359  10.826
  856    H1'    U   5           H1'        U   5  -2.671   6.898   8.232
  857    H3     U   5           H3         U   5  -6.420   8.883   6.809
  858    H5     U   5           H5         U   5  -7.684   6.988  10.349
  859    H6     U   5           H6         U   5  -5.418   6.118  10.603
  860    H5'    U   6           H5'        U   6   1.693   5.364   8.682
  861   H5''    U   6          H5''        U   6   3.092   5.564   9.739
  862    H4'    U   6           H4'        U   6   3.733   5.718   7.375
  863    H3'    U   6           H3'        U   6   4.521   7.461   9.379
  864    H2'    U   6           H2'        U   6   3.180   9.292   8.795
  865   HO2'    U   6          HO2'        U   6   5.456   9.801   8.226
  866    H1'    U   6           H1'        U   6   3.276   8.783   5.849
  867    H3     U   6           H3         U   6   0.807  12.612   6.403
  868    H5     U   6           H5         U   6  -1.515   9.537   8.077
  869    H6     U   6           H6         U   6   0.379   8.056   7.835
  870    H5'    C   7           H5'        C   7   5.669   5.969  10.132
  871   H5''    C   7          H5''        C   7   6.759   7.097  10.971
  872    H4'    C   7           H4'        C   7   7.486   4.200  10.381
  873    H3'    C   7           H3'        C   7   5.427   4.865  12.088
  874    H2'    C   7           H2'        C   7   6.763   6.406  13.373
  875   HO2'    C   7          HO2'        C   7   5.866   4.874  14.836
  876    H1'    C   7           H1'        C   7   8.909   4.260  13.265
  877    H41    C   7           H41        C   7  11.563   9.981  15.431
  878    H42    C   7           H42        C   7  12.215   8.730  16.473
  879    H5     C   7           H5         C   7  11.560   6.384  16.298
  880    H6     C   7           H6         C   7  10.193   4.803  15.064
  Start of MODEL    5
    1    H1   ALA   2           H        ALA   2   1.909  11.312  -6.945
    2    H2   ALA   2           H2       ALA   2   1.242   9.912  -6.369
    3    HA   ALA   2           HA       ALA   2   0.094  12.597  -6.124
    4    HB1  ALA   2           HB1      ALA   2  -0.894   9.960  -4.969
    5    HB2  ALA   2           HB2      ALA   2  -1.622  11.566  -4.719
    6    HB3  ALA   2           HB3      ALA   2  -1.634  10.829  -6.334
    7    H    SER   3           H        SER   3  -0.191  13.175  -3.744
    8    HA   SER   3           HA       SER   3   2.377  13.154  -2.485
    9    HB2  SER   3           HB2      SER   3   0.645  14.967  -2.374
   10    HB3  SER   3           HB3      SER   3  -0.309  13.925  -1.293
   11    HG   SER   3           HG       SER   3   1.085  15.399  -0.186
   12    H    ASN   4           H        ASN   4   2.273  12.728   0.086
   13    HA   ASN   4           HA       ASN   4   1.560   9.859   0.314
   14    HB2  ASN   4           HB2      ASN   4   3.480   9.629   1.812
   15    HB3  ASN   4           HB3      ASN   4   3.953  10.237   0.229
   16   HD21  ASN   4          HD21      ASN   4   5.885  10.687   1.796
   17   HD22  ASN   4          HD22      ASN   4   5.911  12.292   2.506
   18    H    VAL   5           H        VAL   5  -0.150  12.291   1.027
   19    HA   VAL   5           HA       VAL   5  -0.320  11.890   3.974
   20    HB   VAL   5           HB       VAL   5  -1.050  14.344   2.333
   21   HG11  VAL   5          HG11      VAL   5  -2.349  14.060   4.423
   22   HG12  VAL   5          HG12      VAL   5  -0.821  13.888   5.333
   23   HG13  VAL   5          HG13      VAL   5  -1.219  15.426   4.534
   24   HG21  VAL   5          HG21      VAL   5   1.358  14.038   2.314
   25   HG22  VAL   5          HG22      VAL   5   0.957  15.339   3.456
   26   HG23  VAL   5          HG23      VAL   5   1.377  13.712   4.064
   27    H    THR   6           H        THR   6  -2.157  11.175   4.793
   28    HA   THR   6           HA       THR   6  -4.656  11.468   3.271
   29    HB   THR   6           HB       THR   6  -5.168   9.060   3.377
   30    HG1  THR   6           HG1      THR   6  -3.823   8.508   5.121
   31   HG21  THR   6          HG21      THR   6  -4.000   9.949   1.337
   32   HG22  THR   6          HG22      THR   6  -2.450   9.447   2.070
   33   HG23  THR   6          HG23      THR   6  -3.680   8.235   1.665
   34    H    ASN   7           H        ASN   7  -3.417  12.286   6.031
   35    HA   ASN   7           HA       ASN   7  -5.525  10.998   7.699
   36    HB2  ASN   7           HB2      ASN   7  -3.238  10.191   8.143
   37    HB3  ASN   7           HB3      ASN   7  -2.769  11.836   8.628
   38   HD21  ASN   7          HD21      ASN   7  -2.272  11.203  10.745
   39   HD22  ASN   7          HD22      ASN   7  -3.502  10.731  11.902
   40    H    LYS   8           H        LYS   8  -5.767  13.598   6.250
   41    HA   LYS   8           HA       LYS   8  -5.779  15.630   8.349
   42    HB2  LYS   8           HB2      LYS   8  -6.829  15.404   5.524
   43    HB3  LYS   8           HB3      LYS   8  -7.390  16.706   6.571
   44    HG2  LYS   8           HG2      LYS   8  -5.541  17.427   5.170
   45    HG3  LYS   8           HG3      LYS   8  -5.153  17.554   6.883
   46    HD2  LYS   8           HD2      LYS   8  -4.333  15.105   5.293
   47    HD3  LYS   8           HD3      LYS   8  -3.399  16.597   5.162
   48    HE2  LYS   8           HE2      LYS   8  -3.954  15.187   7.801
   49    HE3  LYS   8           HE3      LYS   8  -2.476  15.005   6.849
   50    HZ1  LYS   8           HZ1      LYS   8  -2.222  16.650   8.561
   51    HZ2  LYS   8           HZ2      LYS   8  -2.102  17.362   7.083
   52    HZ3  LYS   8           HZ3      LYS   8  -3.473  17.534   7.973
   53    H    THR   9           H        THR   9  -8.003  16.760   8.813
   54    HA   THR   9           HA       THR   9 -10.073  14.674   9.248
   55    HB   THR   9           HB       THR   9 -10.407  15.492  11.572
   56    HG1  THR   9           HG1      THR   9  -7.901  16.754  11.157
   57   HG21  THR   9          HG21      THR   9  -7.605  14.429  11.012
   58   HG22  THR   9          HG22      THR   9  -8.505  14.287  12.536
   59   HG23  THR   9          HG23      THR   9  -9.080  13.443  11.083
   60    H    ASP  10           H        ASP  10  -9.785  17.045   7.397
   61    HA   ASP  10           HA       ASP  10 -11.625  19.048   8.308
   62    HB2  ASP  10           HB2      ASP  10 -10.661  18.254   5.534
   63    HB3  ASP  10           HB3      ASP  10 -11.623  19.693   5.876
   64    HA   PRO  11           HA       PRO  11 -15.487  17.174   7.773
   65    HB2  PRO  11           HB2      PRO  11 -17.089  19.229   6.880
   66    HB3  PRO  11           HB3      PRO  11 -16.401  19.153   8.539
   67    HG2  PRO  11           HG2      PRO  11 -15.312  20.633   6.125
   68    HG3  PRO  11           HG3      PRO  11 -15.581  21.268   7.785
   69    HD2  PRO  11           HD2      PRO  11 -13.134  20.410   7.003
   70    HD3  PRO  11           HD3      PRO  11 -13.742  20.028   8.641
   71    H    ARG  12           H        ARG  12 -13.798  18.208   4.990
   72    HA   ARG  12           HA       ARG  12 -15.675  16.619   3.311
   73    HB2  ARG  12           HB2      ARG  12 -15.243  18.050   1.420
   74    HB3  ARG  12           HB3      ARG  12 -15.870  18.989   2.777
   75    HG2  ARG  12           HG2      ARG  12 -14.189  20.346   1.920
   76    HG3  ARG  12           HG3      ARG  12 -13.409  19.568   3.304
   77    HD2  ARG  12           HD2      ARG  12 -12.278  17.982   1.777
   78    HD3  ARG  12           HD3      ARG  12 -13.171  18.652   0.400
   79    HE   ARG  12           HE       ARG  12 -11.651  20.664   1.845
   80   HH11  ARG  12          HH11      ARG  12 -11.431  18.123  -0.617
   81   HH12  ARG  12          HH12      ARG  12 -10.030  18.834  -1.383
   82   HH21  ARG  12          HH21      ARG  12  -9.821  21.554   0.830
   83   HH22  ARG  12          HH22      ARG  12  -9.119  20.771  -0.561
   84    H    SER  13           H        SER  13 -12.759  16.600   4.769
   85    HA   SER  13           HA       SER  13 -11.413  15.097   2.591
   86    HB2  SER  13           HB2      SER  13 -10.180  16.948   3.682
   87    HB3  SER  13           HB3      SER  13 -10.322  16.104   5.244
   88    HG   SER  13           HG       SER  13  -8.341  15.722   4.058
   89    H    MET  14           H        MET  14 -13.054  14.786   5.647
   90    HA   MET  14           HA       MET  14 -12.097  12.135   6.319
   91    HB2  MET  14           HB2      MET  14 -14.337  13.969   7.204
   92    HB3  MET  14           HB3      MET  14 -14.253  12.309   7.813
   93    HG2  MET  14           HG2      MET  14 -11.705  13.831   7.899
   94    HG3  MET  14           HG3      MET  14 -12.983  14.432   8.954
   95    HE1  MET  14           HE1      MET  14 -11.163  11.039   7.885
   96    HE2  MET  14           HE2      MET  14 -11.668   9.982   9.220
   97    HE3  MET  14           HE3      MET  14 -12.876  10.584   8.070
   98    H    ASN  15           H        ASN  15 -14.241  13.312   3.931
   99    HA   ASN  15           HA       ASN  15 -15.454  10.606   3.636
  100    HB2  ASN  15           HB2      ASN  15 -17.391  11.960   2.562
  101    HB3  ASN  15           HB3      ASN  15 -17.254  11.886   4.324
  102   HD21  ASN  15          HD21      ASN  15 -16.699  13.703   5.522
  103   HD22  ASN  15          HD22      ASN  15 -16.697  15.309   4.826
  104    H    SER  16           H        SER  16 -13.283  12.781   2.307
  105    HA   SER  16           HA       SER  16 -13.779  11.794  -0.448
  106    HB2  SER  16           HB2      SER  16 -12.241  13.491  -1.176
  107    HB3  SER  16           HB3      SER  16 -13.412  14.245  -0.061
  108    HG   SER  16           HG       SER  16 -11.225  14.813   0.376
  109    H    ARG  17           H        ARG  17 -12.624  10.451   2.122
  110    HA   ARG  17           HA       ARG  17  -9.997   9.553   1.022
  111    HB2  ARG  17           HB2      ARG  17  -9.964  10.807   3.108
  112    HB3  ARG  17           HB3      ARG  17 -11.070   9.646   3.856
  113    HG2  ARG  17           HG2      ARG  17  -9.376   7.844   3.584
  114    HG3  ARG  17           HG3      ARG  17  -8.282   9.010   2.788
  115    HD2  ARG  17           HD2      ARG  17  -9.321   9.136   5.639
  116    HD3  ARG  17           HD3      ARG  17  -7.648   8.830   5.126
  117    HE   ARG  17           HE       ARG  17  -8.094  11.210   3.945
  118   HH11  ARG  17          HH11      ARG  17  -8.700  10.194   7.294
  119   HH12  ARG  17          HH12      ARG  17  -8.649  11.843   7.879
  120   HH21  ARG  17          HH21      ARG  17  -8.142  13.272   4.726
  121   HH22  ARG  17          HH22      ARG  17  -8.323  13.573   6.448
  122    H    VAL  18           H        VAL  18  -9.456   7.346   1.222
  123    HA   VAL  18           HA       VAL  18 -11.800   5.503   1.450
  124    HB   VAL  18           HB       VAL  18  -9.379   5.214  -0.359
  125   HG11  VAL  18          HG11      VAL  18 -10.384   3.085   0.305
  126   HG12  VAL  18          HG12      VAL  18 -11.995   3.674  -0.172
  127   HG13  VAL  18          HG13      VAL  18 -10.731   3.432  -1.402
  128   HG21  VAL  18          HG21      VAL  18 -10.743   7.072  -1.190
  129   HG22  VAL  18          HG22      VAL  18 -10.935   5.647  -2.224
  130   HG23  VAL  18          HG23      VAL  18 -12.217   6.077  -1.057
  131    H    PHE  19           H        PHE  19 -11.604   4.106   3.081
  132    HA   PHE  19           HA       PHE  19  -8.943   3.501   4.222
  133    HB2  PHE  19           HB2      PHE  19 -10.707   4.050   5.776
  134    HB3  PHE  19           HB3      PHE  19 -11.792   2.882   5.037
  135    HD1  PHE  19           HD1      PHE  19  -8.173   2.462   5.983
  136    HD2  PHE  19           HD2      PHE  19 -12.259   1.353   6.730
  137    HE1  PHE  19           HE1      PHE  19  -7.408   0.706   7.548
  138    HE2  PHE  19           HE2      PHE  19 -11.495  -0.377   8.331
  139    HZ   PHE  19           HZ       PHE  19  -9.067  -0.720   8.730
  140    H    ILE  20           H        ILE  20  -7.935   1.517   3.814
  141    HA   ILE  20           HA       ILE  20  -9.472  -0.481   2.205
  142    HB   ILE  20           HB       ILE  20  -6.589   0.387   1.807
  143   HG12  ILE  20          HG12      ILE  20  -8.960   0.825  -0.059
  144   HG13  ILE  20          HG13      ILE  20  -8.368   2.055   1.068
  145   HG21  ILE  20          HG21      ILE  20  -8.353  -1.538   0.224
  146   HG22  ILE  20          HG22      ILE  20  -6.676  -1.090  -0.179
  147   HG23  ILE  20          HG23      ILE  20  -7.019  -2.009   1.291
  148   HD11  ILE  20          HD11      ILE  20  -6.727   0.769  -1.147
  149   HD12  ILE  20          HD12      ILE  20  -7.405   2.411  -1.155
  150   HD13  ILE  20          HD13      ILE  20  -6.135   1.983   0.012
  151    H    GLY  21           H        GLY  21  -9.855  -1.804   3.967
  152    HA2  GLY  21           HA2      GLY  21  -7.602  -2.561   5.725
  153    HA3  GLY  21           HA3      GLY  21  -9.317  -2.923   5.964
  154    H    ASN  22           H        ASN  22  -7.558  -4.876   6.445
  155    HA   ASN  22           HA       ASN  22  -7.035  -6.983   6.089
  156    HB2  ASN  22           HB2      ASN  22  -9.551  -6.991   5.882
  157    HB3  ASN  22           HB3      ASN  22  -9.336  -7.103   4.128
  158   HD21  ASN  22          HD21      ASN  22  -8.737  -9.099   3.211
  159   HD22  ASN  22          HD22      ASN  22  -8.565 -10.563   4.147
  160    H    LEU  23           H        LEU  23  -5.977  -4.853   4.095
  161    HA   LEU  23           HA       LEU  23  -5.601  -6.177   1.590
  162    HB2  LEU  23           HB2      LEU  23  -5.527  -3.732   1.987
  163    HB3  LEU  23           HB3      LEU  23  -4.051  -3.925   2.929
  164    HG   LEU  23           HG       LEU  23  -2.858  -4.723   0.919
  165   HD11  LEU  23          HD11      LEU  23  -4.728  -5.792  -0.296
  166   HD12  LEU  23          HD12      LEU  23  -5.501  -4.200  -0.512
  167   HD13  LEU  23          HD13      LEU  23  -3.953  -4.560  -1.305
  168   HD21  LEU  23          HD21      LEU  23  -4.443  -2.146   0.555
  169   HD22  LEU  23          HD22      LEU  23  -2.986  -2.571  -0.365
  170   HD23  LEU  23          HD23      LEU  23  -2.883  -2.328   1.394
  171    H    ASN  24           H        ASN  24  -3.651  -7.153   0.735
  172    HA   ASN  24           HA       ASN  24  -2.489  -9.033   2.522
  173    HB2  ASN  24           HB2      ASN  24  -1.261  -9.795   0.643
  174    HB3  ASN  24           HB3      ASN  24  -2.833  -9.245   0.020
  175   HD21  ASN  24          HD21      ASN  24  -2.918  -7.238  -1.211
  176   HD22  ASN  24          HD22      ASN  24  -1.449  -6.557  -1.884
  177    H    THR  25           H        THR  25  -1.318  -5.960   1.205
  178    HA   THR  25           HA       THR  25   0.497  -4.717   1.493
  179    HB   THR  25           HB       THR  25   0.966  -4.039   3.750
  180    HG1  THR  25           HG1      THR  25   1.063  -6.167   4.651
  181   HG21  THR  25          HG21      THR  25  -1.220  -3.445   2.691
  182   HG22  THR  25          HG22      THR  25  -1.951  -4.873   3.468
  183   HG23  THR  25          HG23      THR  25  -1.333  -3.548   4.464
  184    H    LEU  26           H        LEU  26   1.116  -7.798   1.212
  185    HA   LEU  26           HA       LEU  26   3.968  -7.552   2.075
  186    HB2  LEU  26           HB2      LEU  26   2.566 -10.010   0.982
  187    HB3  LEU  26           HB3      LEU  26   4.172  -9.905   1.693
  188    HG   LEU  26           HG       LEU  26   1.486  -9.852   3.063
  189   HD11  LEU  26          HD11      LEU  26   2.662 -11.972   2.660
  190   HD12  LEU  26          HD12      LEU  26   4.120 -11.329   3.459
  191   HD13  LEU  26          HD13      LEU  26   2.642 -11.601   4.397
  192   HD21  LEU  26          HD21      LEU  26   4.112  -8.949   4.325
  193   HD22  LEU  26          HD22      LEU  26   2.573  -9.259   5.175
  194   HD23  LEU  26          HD23      LEU  26   2.687  -7.920   4.034
  195    H    VAL  27           H        VAL  27   1.842  -7.564  -0.686
  196    HA   VAL  27           HA       VAL  27   4.182  -7.760  -2.533
  197    HB   VAL  27           HB       VAL  27   1.293  -8.502  -3.110
  198   HG11  VAL  27          HG11      VAL  27   2.306  -9.678  -5.047
  199   HG12  VAL  27          HG12      VAL  27   2.619  -7.938  -5.104
  200   HG13  VAL  27          HG13      VAL  27   3.907  -9.046  -4.584
  201   HG21  VAL  27          HG21      VAL  27   2.078 -10.866  -2.989
  202   HG22  VAL  27          HG22      VAL  27   3.638 -10.287  -2.347
  203   HG23  VAL  27          HG23      VAL  27   2.136 -10.048  -1.420
  204    H    VAL  28           H        VAL  28   1.469  -5.891  -1.404
  205    HA   VAL  28           HA       VAL  28   1.365  -4.213  -3.790
  206    HB   VAL  28           HB       VAL  28  -0.478  -4.890  -1.923
  207   HG11  VAL  28          HG11      VAL  28   0.324  -2.051  -1.200
  208   HG12  VAL  28          HG12      VAL  28  -0.955  -3.043  -0.462
  209   HG13  VAL  28          HG13      VAL  28   0.758  -3.465  -0.210
  210   HG21  VAL  28          HG21      VAL  28  -0.925  -3.850  -4.110
  211   HG22  VAL  28          HG22      VAL  28  -1.883  -3.115  -2.809
  212   HG23  VAL  28          HG23      VAL  28  -0.465  -2.258  -3.450
  213    H    LYS  29           H        LYS  29   1.581  -1.789  -3.494
  214    HA   LYS  29           HA       LYS  29   3.292  -0.861  -1.306
  215    HB2  LYS  29           HB2      LYS  29   4.909   0.181  -2.930
  216    HB3  LYS  29           HB3      LYS  29   5.027  -1.571  -2.795
  217    HG2  LYS  29           HG2      LYS  29   3.136  -1.057  -4.883
  218    HG3  LYS  29           HG3      LYS  29   4.446   0.103  -5.115
  219    HD2  LYS  29           HD2      LYS  29   4.918  -1.932  -6.357
  220    HD3  LYS  29           HD3      LYS  29   6.089  -1.788  -5.019
  221    HE2  LYS  29           HE2      LYS  29   4.769  -3.375  -3.678
  222    HE3  LYS  29           HE3      LYS  29   3.552  -3.476  -4.956
  223    HZ1  LYS  29           HZ1      LYS  29   6.365  -4.309  -5.199
  224    HZ2  LYS  29           HZ2      LYS  29   5.057  -5.303  -5.056
  225    HZ3  LYS  29           HZ3      LYS  29   5.243  -4.382  -6.403
  226    H    LYS  30           H        LYS  30   3.763   1.589  -1.763
  227    HA   LYS  30           HA       LYS  30   1.218   2.888  -1.912
  228    HB2  LYS  30           HB2      LYS  30   3.060   3.856  -0.668
  229    HB3  LYS  30           HB3      LYS  30   4.054   3.990  -2.140
  230    HG2  LYS  30           HG2      LYS  30   2.502   5.572  -3.127
  231    HG3  LYS  30           HG3      LYS  30   1.334   5.316  -1.811
  232    HD2  LYS  30           HD2      LYS  30   2.908   6.292  -0.206
  233    HD3  LYS  30           HD3      LYS  30   4.115   6.536  -1.496
  234    HE2  LYS  30           HE2      LYS  30   1.298   7.666  -1.547
  235    HE3  LYS  30           HE3      LYS  30   2.702   8.575  -0.944
  236    HZ1  LYS  30           HZ1      LYS  30   3.700   8.338  -3.116
  237    HZ2  LYS  30           HZ2      LYS  30   2.380   7.537  -3.682
  238    HZ3  LYS  30           HZ3      LYS  30   2.259   9.108  -3.217
  239    H    SER  31           H        SER  31   3.694   2.223  -4.364
  240    HA   SER  31           HA       SER  31   2.524   4.014  -6.321
  241    HB2  SER  31           HB2      SER  31   4.550   1.764  -6.649
  242    HB3  SER  31           HB3      SER  31   4.181   3.036  -7.834
  243    HG   SER  31           HG       SER  31   6.008   3.550  -6.561
  244    H    ASP  32           H        ASP  32   1.698   0.906  -5.136
  245    HA   ASP  32           HA       ASP  32   0.332   0.121  -7.637
  246    HB2  ASP  32           HB2      ASP  32   0.918  -1.162  -4.959
  247    HB3  ASP  32           HB3      ASP  32  -0.357  -1.808  -5.967
  248    H    VAL  33           H        VAL  33  -0.358   1.179  -4.252
  249    HA   VAL  33           HA       VAL  33  -3.198   0.847  -4.576
  250    HB   VAL  33           HB       VAL  33  -1.572   2.477  -2.591
  251   HG11  VAL  33          HG11      VAL  33  -4.513   1.659  -2.544
  252   HG12  VAL  33          HG12      VAL  33  -3.628   2.446  -1.214
  253   HG13  VAL  33          HG13      VAL  33  -3.895   3.311  -2.744
  254   HG21  VAL  33          HG21      VAL  33  -1.163   0.038  -2.500
  255   HG22  VAL  33          HG22      VAL  33  -2.116   0.552  -1.090
  256   HG23  VAL  33          HG23      VAL  33  -2.920  -0.263  -2.442
  257    H    GLU  34           H        GLU  34  -0.964   3.640  -5.086
  258    HA   GLU  34           HA       GLU  34  -3.199   5.338  -5.779
  259    HB2  GLU  34           HB2      GLU  34  -1.640   7.030  -6.235
  260    HB3  GLU  34           HB3      GLU  34  -1.033   6.155  -4.820
  261    HG2  GLU  34           HG2      GLU  34   0.535   4.908  -6.325
  262    HG3  GLU  34           HG3      GLU  34  -0.050   5.871  -7.689
  263    H    ALA  35           H        ALA  35  -2.150   2.683  -7.304
  264    HA   ALA  35           HA       ALA  35  -2.681   3.805 -10.017
  265    HB1  ALA  35           HB1      ALA  35  -1.075   1.354  -9.203
  266    HB2  ALA  35           HB2      ALA  35  -1.331   1.928 -10.867
  267    HB3  ALA  35           HB3      ALA  35  -0.400   2.918  -9.713
  268    H    ILE  36           H        ILE  36  -3.933   1.884  -7.497
  269    HA   ILE  36           HA       ILE  36  -5.641   0.293  -9.347
  270    HB   ILE  36           HB       ILE  36  -4.942   0.021  -6.405
  271   HG12  ILE  36          HG12      ILE  36  -4.490  -1.993  -8.632
  272   HG13  ILE  36          HG13      ILE  36  -3.323  -0.698  -8.340
  273   HG21  ILE  36          HG21      ILE  36  -6.849  -1.617  -8.124
  274   HG22  ILE  36          HG22      ILE  36  -6.257  -2.120  -6.524
  275   HG23  ILE  36          HG23      ILE  36  -7.268  -0.672  -6.677
  276   HD11  ILE  36          HD11      ILE  36  -4.204  -2.799  -6.314
  277   HD12  ILE  36          HD12      ILE  36  -2.607  -2.641  -7.091
  278   HD13  ILE  36          HD13      ILE  36  -3.169  -1.402  -5.949
  279    H    PHE  37           H        PHE  37  -5.601   3.051  -7.245
  280    HA   PHE  37           HA       PHE  37  -8.589   3.102  -7.232
  281    HB2  PHE  37           HB2      PHE  37  -6.519   4.246  -5.345
  282    HB3  PHE  37           HB3      PHE  37  -8.222   4.714  -5.313
  283    HD1  PHE  37           HD2      PHE  37  -6.057   1.634  -5.189
  284    HD2  PHE  37           HD1      PHE  37  -9.729   3.539  -4.010
  285    HE1  PHE  37           HE2      PHE  37  -6.635  -0.337  -3.814
  286    HE2  PHE  37           HE1      PHE  37 -10.317   1.550  -2.644
  287    HZ   PHE  37           HZ       PHE  37  -8.749  -0.388  -2.531
  288    H    SER  38           H        SER  38  -5.883   4.425  -8.808
  289    HA   SER  38           HA       SER  38  -6.978   7.090  -9.163
  290    HB2  SER  38           HB2      SER  38  -4.577   6.608  -9.341
  291    HB3  SER  38           HB3      SER  38  -4.879   5.560 -10.743
  292    HG   SER  38           HG       SER  38  -4.258   7.705 -11.306
  293    H    LYS  39           H        LYS  39  -7.841   4.018 -10.308
  294    HA   LYS  39           HA       LYS  39  -8.847   4.741 -12.924
  295    HB2  LYS  39           HB2      LYS  39  -9.915   2.529 -12.813
  296    HB3  LYS  39           HB3      LYS  39  -8.199   2.446 -12.359
  297    HG2  LYS  39           HG2      LYS  39  -8.802   2.494  -9.978
  298    HG3  LYS  39           HG3      LYS  39 -10.524   2.593 -10.382
  299    HD2  LYS  39           HD2      LYS  39  -8.711   0.304 -11.222
  300    HD3  LYS  39           HD3      LYS  39  -9.727   0.302  -9.763
  301    HE2  LYS  39           HE2      LYS  39 -11.719   0.786 -11.251
  302    HE3  LYS  39           HE3      LYS  39 -10.667   0.481 -12.650
  303    HZ1  LYS  39           HZ1      LYS  39 -10.269  -1.724 -11.766
  304    HZ2  LYS  39           HZ2      LYS  39 -11.255  -1.422 -10.482
  305    HZ3  LYS  39           HZ3      LYS  39 -11.879  -1.478 -11.998
  306    H    TYR  40           H        TYR  40  -9.879   5.549  -9.804
  307    HA   TYR  40           HA       TYR  40 -12.714   5.824 -10.681
  308    HB2  TYR  40           HB2      TYR  40 -11.524   4.619  -8.205
  309    HB3  TYR  40           HB3      TYR  40 -13.057   5.463  -8.070
  310    HD1  TYR  40           HD1      TYR  40 -14.628   4.854 -10.336
  311    HD2  TYR  40           HD2      TYR  40 -11.846   2.302  -8.275
  312    HE1  TYR  40           HE1      TYR  40 -15.844   2.864 -11.174
  313    HE2  TYR  40           HE2      TYR  40 -13.064   0.307  -9.107
  314    HH   TYR  40           HH       TYR  40 -15.944   0.578 -11.224
  315    H    GLY  41           H        GLY  41  -9.958   7.543  -9.825
  316    HA2  GLY  41           HA2      GLY  41 -11.339   9.983  -9.759
  317    HA3  GLY  41           HA3      GLY  41 -11.134   9.483  -8.073
  318    H    LYS  42           H        LYS  42 -10.047  11.832  -8.842
  319    HA   LYS  42           HA       LYS  42  -7.236  11.530  -9.547
  320    HB2  LYS  42           HB2      LYS  42  -8.349  13.548 -10.247
  321    HB3  LYS  42           HB3      LYS  42  -8.993  13.825  -8.615
  322    HG2  LYS  42           HG2      LYS  42  -7.125  15.340  -9.067
  323    HG3  LYS  42           HG3      LYS  42  -6.754  14.242  -7.746
  324    HD2  LYS  42           HD2      LYS  42  -5.500  12.774  -9.388
  325    HD3  LYS  42           HD3      LYS  42  -5.747  14.030 -10.619
  326    HE2  LYS  42           HE2      LYS  42  -4.463  14.475  -7.897
  327    HE3  LYS  42           HE3      LYS  42  -3.551  14.158  -9.383
  328    HZ1  LYS  42           HZ1      LYS  42  -4.516  16.150 -10.326
  329    HZ2  LYS  42           HZ2      LYS  42  -5.348  16.454  -8.942
  330    HZ3  LYS  42           HZ3      LYS  42  -3.705  16.509  -8.944
  331    H    ILE  43           H        ILE  43  -5.897  10.596  -8.100
  332    HA   ILE  43           HA       ILE  43  -6.390  10.911  -5.219
  333    HB   ILE  43           HB       ILE  43  -4.195   9.471  -6.755
  334   HG12  ILE  43          HG12      ILE  43  -6.739   8.508  -5.376
  335   HG13  ILE  43          HG13      ILE  43  -6.427   8.509  -7.122
  336   HG21  ILE  43          HG21      ILE  43  -4.955   9.394  -3.803
  337   HG22  ILE  43          HG22      ILE  43  -3.678   8.425  -4.581
  338   HG23  ILE  43          HG23      ILE  43  -3.507  10.179  -4.468
  339   HD11  ILE  43          HD11      ILE  43  -6.132   6.261  -6.239
  340   HD12  ILE  43          HD12      ILE  43  -4.560   6.900  -6.773
  341   HD13  ILE  43          HD13      ILE  43  -4.968   6.832  -5.038
  342    H    VAL  44           H        VAL  44  -5.496  12.417  -3.975
  343    HA   VAL  44           HA       VAL  44  -3.178  13.955  -5.049
  344    HB   VAL  44           HB       VAL  44  -4.061  15.839  -3.616
  345   HG11  VAL  44          HG11      VAL  44  -4.334  15.719  -6.084
  346   HG12  VAL  44          HG12      VAL  44  -5.877  14.864  -5.858
  347   HG13  VAL  44          HG13      VAL  44  -5.692  16.542  -5.294
  348   HG21  VAL  44          HG21      VAL  44  -5.576  14.448  -2.190
  349   HG22  VAL  44          HG22      VAL  44  -6.420  15.800  -2.980
  350   HG23  VAL  44          HG23      VAL  44  -6.603  14.153  -3.616
  351    H    GLY  45           H        GLY  45  -3.910  11.577  -2.982
  352    HA2  GLY  45           HA2      GLY  45  -1.468  11.908  -1.472
  353    HA3  GLY  45           HA3      GLY  45  -2.900  12.170  -0.471
  354    H    CYS  46           H        CYS  46  -0.845   9.881  -0.590
  355    HA   CYS  46           HA       CYS  46  -2.835   7.732  -0.351
  356    HB2  CYS  46           HB2      CYS  46  -2.266   7.706  -2.758
  357    HB3  CYS  46           HB3      CYS  46  -0.541   7.594  -2.357
  358    HG   CYS  46           HG       CYS  46  -1.396   5.277  -3.158
  359    H    SER  47           H        SER  47  -2.129   6.097   1.048
  360    HA   SER  47           HA       SER  47   0.729   5.945   1.717
  361    HB2  SER  47           HB2      SER  47   0.421   6.138   4.098
  362    HB3  SER  47           HB3      SER  47  -0.176   7.621   3.330
  363    HG   SER  47           HG       SER  47  -2.194   7.065   3.807
  364    H    VAL  48           H        VAL  48   1.258   3.983   2.906
  365    HA   VAL  48           HA       VAL  48  -0.868   1.913   2.860
  366    HB   VAL  48           HB       VAL  48   1.864   1.631   1.560
  367   HG11  VAL  48          HG11      VAL  48   1.142  -0.477   2.594
  368   HG12  VAL  48          HG12      VAL  48  -0.461  -0.324   1.830
  369   HG13  VAL  48          HG13      VAL  48   0.986  -0.585   0.831
  370   HG21  VAL  48          HG21      VAL  48   0.384   2.939   0.142
  371   HG22  VAL  48          HG22      VAL  48   0.497   1.300  -0.524
  372   HG23  VAL  48          HG23      VAL  48  -0.945   1.785   0.392
  373    H    HIS  49           H        HIS  49  -0.531   0.217   4.308
  374    HA   HIS  49           HA       HIS  49   1.677   0.521   6.264
  375    HB2  HIS  49           HB2      HIS  49  -1.254   0.354   7.038
  376    HB3  HIS  49           HB3      HIS  49   0.124   0.680   8.098
  377    HD2  HIS  49           HD3      HIS  49  -2.192   2.343   5.513
  378    HE1  HIS  49           HE1      HIS  49   0.128   5.472   7.211
  379    HE2  HIS  49           HE2      HIS  49  -1.812   4.934   5.659
  380    H    LYS  50           H        LYS  50   0.989  -1.409   8.075
  381    HA   LYS  50           HA       LYS  50   0.851  -3.853   6.434
  382    HB2  LYS  50           HB2      LYS  50   1.362  -3.276   9.367
  383    HB3  LYS  50           HB3      LYS  50   1.045  -4.913   8.795
  384    HG2  LYS  50           HG2      LYS  50   3.249  -3.144   7.673
  385    HG3  LYS  50           HG3      LYS  50   3.482  -4.339   8.969
  386    HD2  LYS  50           HD2      LYS  50   2.573  -6.110   7.432
  387    HD3  LYS  50           HD3      LYS  50   2.551  -4.922   6.116
  388    HE2  LYS  50           HE2      LYS  50   5.013  -5.753   7.704
  389    HE3  LYS  50           HE3      LYS  50   4.577  -6.360   6.098
  390    HZ1  LYS  50           HZ1      LYS  50   5.164  -3.548   6.750
  391    HZ2  LYS  50           HZ2      LYS  50   6.160  -4.585   5.952
  392    HZ3  LYS  50           HZ3      LYS  50   4.745  -4.123   5.262
  393    H    GLY  51           H        GLY  51  -0.871  -5.043   6.099
  394    HA2  GLY  51           HA2      GLY  51  -2.937  -6.002   6.356
  395    HA3  GLY  51           HA3      GLY  51  -3.074  -5.238   7.948
  396    H    PHE  52           H        PHE  52  -2.469  -2.557   6.213
  397    HA   PHE  52           HA       PHE  52  -5.009  -2.325   4.797
  398    HB2  PHE  52           HB2      PHE  52  -5.904  -0.525   6.160
  399    HB3  PHE  52           HB3      PHE  52  -5.724  -1.981   7.122
  400    HD1  PHE  52           HD2      PHE  52  -3.908  -2.133   8.851
  401    HD2  PHE  52           HD1      PHE  52  -4.652   1.474   6.626
  402    HE1  PHE  52           HE2      PHE  52  -2.578  -0.847  10.493
  403    HE2  PHE  52           HE1      PHE  52  -3.309   2.755   8.266
  404    HZ   PHE  52           HZ       PHE  52  -2.266   1.592  10.202
  405    H    ALA  53           H        ALA  53  -5.313  -0.068   3.953
  406    HA   ALA  53           HA       ALA  53  -2.877   1.572   3.750
  407    HB1  ALA  53           HB1      ALA  53  -2.651  -0.035   1.911
  408    HB2  ALA  53           HB2      ALA  53  -4.292   0.355   1.342
  409    HB3  ALA  53           HB3      ALA  53  -3.005   1.588   1.283
  410    H    PHE  54           H        PHE  54  -3.441   3.598   2.367
  411    HA   PHE  54           HA       PHE  54  -6.300   4.346   2.629
  412    HB2  PHE  54           HB2      PHE  54  -3.975   5.502   4.116
  413    HB3  PHE  54           HB3      PHE  54  -5.150   6.634   3.455
  414    HD1  PHE  54           HD1      PHE  54  -7.590   6.370   4.009
  415    HD2  PHE  54           HD2      PHE  54  -4.464   4.357   6.172
  416    HE1  PHE  54           HE1      PHE  54  -9.143   6.007   5.911
  417    HE2  PHE  54           HE2      PHE  54  -6.011   3.992   8.066
  418    HZ   PHE  54           HZ       PHE  54  -8.353   4.822   7.939
  419    H    VAL  55           H        VAL  55  -6.993   5.982   1.302
  420    HA   VAL  55           HA       VAL  55  -5.050   7.172  -0.607
  421    HB   VAL  55           HB       VAL  55  -7.678   5.813  -1.335
  422   HG11  VAL  55          HG11      VAL  55  -5.729   7.427  -3.028
  423   HG12  VAL  55          HG12      VAL  55  -7.087   6.468  -3.666
  424   HG13  VAL  55          HG13      VAL  55  -7.411   7.874  -2.641
  425   HG21  VAL  55          HG21      VAL  55  -5.808   4.240  -1.060
  426   HG22  VAL  55          HG22      VAL  55  -6.217   4.417  -2.778
  427   HG23  VAL  55          HG23      VAL  55  -4.788   5.252  -2.116
  428    H    GLN  56           H        GLN  56  -5.523   9.266  -1.165
  429    HA   GLN  56           HA       GLN  56  -7.915  10.485   0.136
  430    HB2  GLN  56           HB2      GLN  56  -5.769  11.017   1.255
  431    HB3  GLN  56           HB3      GLN  56  -5.132  11.642  -0.279
  432    HG2  GLN  56           HG2      GLN  56  -5.840  13.515   1.040
  433    HG3  GLN  56           HG3      GLN  56  -7.016  13.334  -0.266
  434   HE21  GLN  56          HE21      GLN  56  -9.161  12.839   0.232
  435   HE22  GLN  56          HE22      GLN  56  -9.754  12.712   1.873
  436    H    TYR  57           H        TYR  57  -9.337  11.025  -1.387
  437    HA   TYR  57           HA       TYR  57  -8.417  11.801  -4.086
  438    HB2  TYR  57           HB2      TYR  57 -11.168  11.289  -2.902
  439    HB3  TYR  57           HB3      TYR  57 -10.882  11.863  -4.536
  440    HD1  TYR  57           HD1      TYR  57  -8.805  10.351  -5.678
  441    HD2  TYR  57           HD2      TYR  57 -11.781   9.068  -2.870
  442    HE1  TYR  57           HE1      TYR  57  -8.720   8.052  -6.655
  443    HE2  TYR  57           HE2      TYR  57 -11.709   6.765  -3.847
  444    HH   TYR  57           HH       TYR  57  -9.586   5.947  -6.589
  445    H    VAL  58           H        VAL  58 -10.075  13.598  -4.994
  446    HA   VAL  58           HA       VAL  58  -9.353  15.987  -3.475
  447    HB   VAL  58           HB       VAL  58 -10.717  15.587  -6.161
  448   HG11  VAL  58          HG11      VAL  58  -9.628  18.127  -4.856
  449   HG12  VAL  58          HG12      VAL  58 -10.164  17.987  -6.549
  450   HG13  VAL  58          HG13      VAL  58 -11.332  17.789  -5.233
  451   HG21  VAL  58          HG21      VAL  58  -7.885  16.410  -5.410
  452   HG22  VAL  58          HG22      VAL  58  -8.362  14.829  -6.073
  453   HG23  VAL  58          HG23      VAL  58  -8.522  16.298  -7.064
  454    H    ASN  59           H        ASN  59 -12.183  13.998  -4.063
  455    HA   ASN  59           HA       ASN  59 -13.803  15.714  -2.298
  456    HB2  ASN  59           HB2      ASN  59 -15.642  15.892  -3.924
  457    HB3  ASN  59           HB3      ASN  59 -14.173  16.679  -4.521
  458   HD21  ASN  59          HD21      ASN  59 -13.791  16.308  -6.617
  459   HD22  ASN  59          HD22      ASN  59 -14.219  14.837  -7.482
  460    H    GLU  60           H        GLU  60 -16.083  14.724  -2.104
  461    HA   GLU  60           HA       GLU  60 -15.757  12.067  -1.047
  462    HB2  GLU  60           HB2      GLU  60 -17.264  13.547   0.056
  463    HB3  GLU  60           HB3      GLU  60 -18.085  13.970  -1.457
  464    HG2  GLU  60           HG2      GLU  60 -19.100  11.795  -1.628
  465    HG3  GLU  60           HG3      GLU  60 -18.123  11.167  -0.297
  466    H    ARG  61           H        ARG  61 -17.177  13.367  -4.030
  467    HA   ARG  61           HA       ARG  61 -18.646  11.100  -4.853
  468    HB2  ARG  61           HB2      ARG  61 -19.139  12.929  -6.102
  469    HB3  ARG  61           HB3      ARG  61 -17.529  13.614  -5.950
  470    HG2  ARG  61           HG2      ARG  61 -17.881  13.212  -8.246
  471    HG3  ARG  61           HG3      ARG  61 -16.681  12.055  -7.695
  472    HD2  ARG  61           HD2      ARG  61 -18.477  10.322  -7.510
  473    HD3  ARG  61           HD3      ARG  61 -19.656  11.512  -8.090
  474    HE   ARG  61           HE       ARG  61 -17.667  11.482 -10.031
  475   HH11  ARG  61          HH11      ARG  61 -19.825   9.090  -8.593
  476   HH12  ARG  61          HH12      ARG  61 -19.885   8.094 -10.030
  477   HH21  ARG  61          HH21      ARG  61 -17.764  10.171 -11.909
  478   HH22  ARG  61          HH22      ARG  61 -18.730   8.713 -11.898
  479    H    ASN  62           H        ASN  62 -15.195  11.915  -5.261
  480    HA   ASN  62           HA       ASN  62 -14.588   9.684  -6.971
  481    HB2  ASN  62           HB2      ASN  62 -12.997  11.569  -5.211
  482    HB3  ASN  62           HB3      ASN  62 -12.215  10.218  -6.045
  483   HD21  ASN  62          HD21      ASN  62 -14.849  12.458  -7.149
  484   HD22  ASN  62          HD22      ASN  62 -13.981  12.975  -8.583
  485    H    ALA  63           H        ALA  63 -14.674  10.133  -3.415
  486    HA   ALA  63           HA       ALA  63 -13.366   7.630  -2.830
  487    HB1  ALA  63           HB1      ALA  63 -15.264   9.307  -1.145
  488    HB2  ALA  63           HB2      ALA  63 -14.239   7.983  -0.557
  489    HB3  ALA  63           HB3      ALA  63 -13.490   9.468  -1.204
  490    H    ARG  64           H        ARG  64 -16.827   8.587  -3.150
  491    HA   ARG  64           HA       ARG  64 -17.881   6.059  -2.357
  492    HB2  ARG  64           HB2      ARG  64 -18.973   8.113  -4.338
  493    HB3  ARG  64           HB3      ARG  64 -19.926   6.830  -3.595
  494    HG2  ARG  64           HG2      ARG  64 -18.556   9.063  -2.036
  495    HG3  ARG  64           HG3      ARG  64 -20.246   9.088  -2.556
  496    HD2  ARG  64           HD2      ARG  64 -20.693   7.058  -1.226
  497    HD3  ARG  64           HD3      ARG  64 -18.992   7.019  -0.716
  498    HE   ARG  64           HE       ARG  64 -20.033   9.587  -0.116
  499   HH11  ARG  64          HH11      ARG  64 -20.465   6.232   0.952
  500   HH12  ARG  64          HH12      ARG  64 -20.884   6.713   2.583
  501   HH21  ARG  64          HH21      ARG  64 -20.619  10.150   1.963
  502   HH22  ARG  64          HH22      ARG  64 -21.007   8.924   3.153
  503    H    ALA  65           H        ALA  65 -16.425   7.217  -5.355
  504    HA   ALA  65           HA       ALA  65 -17.535   5.229  -7.092
  505    HB1  ALA  65           HB1      ALA  65 -14.939   6.806  -7.321
  506    HB2  ALA  65           HB2      ALA  65 -15.808   6.002  -8.639
  507    HB3  ALA  65           HB3      ALA  65 -16.539   7.404  -7.820
  508    H    ALA  66           H        ALA  66 -14.498   5.391  -5.151
  509    HA   ALA  66           HA       ALA  66 -13.739   2.733  -6.190
  510    HB1  ALA  66           HB1      ALA  66 -12.078   4.520  -5.974
  511    HB2  ALA  66           HB2      ALA  66 -12.350   4.566  -4.213
  512    HB3  ALA  66           HB3      ALA  66 -11.672   3.104  -4.973
  513    H    VAL  67           H        VAL  67 -15.134   4.171  -3.262
  514    HA   VAL  67           HA       VAL  67 -14.695   1.863  -1.586
  515    HB   VAL  67           HB       VAL  67 -16.475   4.317  -1.423
  516   HG11  VAL  67          HG11      VAL  67 -16.343   1.970   0.505
  517   HG12  VAL  67          HG12      VAL  67 -17.035   3.570   0.896
  518   HG13  VAL  67          HG13      VAL  67 -17.777   2.563  -0.356
  519   HG21  VAL  67          HG21      VAL  67 -14.988   4.816   0.468
  520   HG22  VAL  67          HG22      VAL  67 -14.164   3.259   0.255
  521   HG23  VAL  67          HG23      VAL  67 -14.036   4.516  -1.000
  522    H    ALA  68           H        ALA  68 -17.035   2.675  -4.057
  523    HA   ALA  68           HA       ALA  68 -18.472   0.134  -3.427
  524    HB1  ALA  68           HB1      ALA  68 -19.327   2.474  -5.167
  525    HB2  ALA  68           HB2      ALA  68 -20.287   1.026  -4.796
  526    HB3  ALA  68           HB3      ALA  68 -19.868   2.167  -3.499
  527    H    GLY  69           H        GLY  69 -16.064   1.409  -5.501
  528    HA2  GLY  69           HA2      GLY  69 -16.830  -0.340  -7.773
  529    HA3  GLY  69           HA3      GLY  69 -15.605   0.929  -7.763
  530    H    GLU  70           H        GLU  70 -14.448  -0.202  -5.135
  531    HA   GLU  70           HA       GLU  70 -12.994  -2.510  -6.393
  532    HB2  GLU  70           HB2      GLU  70 -11.966  -0.284  -4.606
  533    HB3  GLU  70           HB3      GLU  70 -11.026  -1.701  -5.098
  534    HG2  GLU  70           HG2      GLU  70 -12.246   0.271  -7.070
  535    HG3  GLU  70           HG3      GLU  70 -10.611   0.414  -6.424
  536    H    ASP  71           H        ASP  71 -14.940  -1.487  -3.702
  537    HA   ASP  71           HA       ASP  71 -13.726  -3.016  -1.645
  538    HB2  ASP  71           HB2      ASP  71 -15.399  -1.363  -1.146
  539    HB3  ASP  71           HB3      ASP  71 -16.593  -2.189  -2.150
  540    H    GLY  72           H        GLY  72 -13.603  -5.126  -1.208
  541    HA2  GLY  72           HA2      GLY  72 -14.240  -7.340  -1.120
  542    HA3  GLY  72           HA3      GLY  72 -15.614  -7.000  -2.192
  543    H    ARG  73           H        ARG  73 -12.570  -5.805  -3.380
  544    HA   ARG  73           HA       ARG  73 -12.636  -7.917  -5.432
  545    HB2  ARG  73           HB2      ARG  73 -11.456  -6.541  -6.827
  546    HB3  ARG  73           HB3      ARG  73 -12.503  -5.413  -5.940
  547    HG2  ARG  73           HG2      ARG  73 -10.687  -4.600  -4.627
  548    HG3  ARG  73           HG3      ARG  73  -9.634  -5.962  -5.055
  549    HD2  ARG  73           HD2      ARG  73 -10.674  -3.992  -7.118
  550    HD3  ARG  73           HD3      ARG  73  -9.144  -3.781  -6.245
  551    HE   ARG  73           HE       ARG  73  -9.209  -6.401  -7.359
  552   HH11  ARG  73          HH11      ARG  73  -8.930  -3.031  -8.370
  553   HH12  ARG  73          HH12      ARG  73  -7.981  -3.413  -9.789
  554   HH21  ARG  73          HH21      ARG  73  -7.972  -6.875  -9.200
  555   HH22  ARG  73          HH22      ARG  73  -7.450  -5.590 -10.266
  556    H    MET  74           H        MET  74 -10.613  -8.922  -6.188
  557    HA   MET  74           HA       MET  74  -8.848  -9.539  -3.895
  558    HB2  MET  74           HB2      MET  74  -9.832 -11.449  -4.930
  559    HB3  MET  74           HB3      MET  74  -9.311 -10.944  -6.549
  560    HG2  MET  74           HG2      MET  74  -7.047 -11.373  -6.108
  561    HG3  MET  74           HG3      MET  74  -7.267 -11.292  -4.359
  562    HE1  MET  74           HE1      MET  74  -9.598 -13.094  -3.594
  563    HE2  MET  74           HE2      MET  74  -8.671 -14.574  -3.245
  564    HE3  MET  74           HE3      MET  74  -7.995 -12.969  -2.847
  565    H    ILE  75           H        ILE  75  -6.773  -9.075  -3.801
  566    HA   ILE  75           HA       ILE  75  -5.281  -8.198  -6.186
  567    HB   ILE  75           HB       ILE  75  -5.349  -6.644  -3.570
  568   HG12  ILE  75          HG12      ILE  75  -6.416  -5.846  -6.317
  569   HG13  ILE  75          HG13      ILE  75  -7.417  -6.313  -4.934
  570   HG21  ILE  75          HG21      ILE  75  -3.908  -6.074  -6.190
  571   HG22  ILE  75          HG22      ILE  75  -3.889  -5.040  -4.738
  572   HG23  ILE  75          HG23      ILE  75  -3.142  -6.638  -4.684
  573   HD11  ILE  75          HD11      ILE  75  -7.399  -3.926  -5.037
  574   HD12  ILE  75          HD12      ILE  75  -6.435  -4.409  -3.625
  575   HD13  ILE  75          HD13      ILE  75  -5.624  -3.868  -5.109
  576    H    ALA  76           H        ALA  76  -3.223  -9.002  -6.149
  577    HA   ALA  76           HA       ALA  76  -1.536 -10.369  -5.574
  578    HB1  ALA  76           HB1      ALA  76  -1.011  -8.400  -4.179
  579    HB2  ALA  76           HB2      ALA  76  -1.898  -9.147  -2.829
  580    HB3  ALA  76           HB3      ALA  76  -0.431  -9.922  -3.455
  581    H    GLY  77           H        GLY  77  -4.493 -11.334  -4.848
  582    HA2  GLY  77           HA2      GLY  77  -4.904 -13.685  -4.709
  583    HA3  GLY  77           HA3      GLY  77  -3.480 -13.865  -3.671
  584    H    GLN  78           H        GLN  78  -4.996 -11.127  -2.534
  585    HA   GLN  78           HA       GLN  78  -6.848 -12.640  -0.744
  586    HB2  GLN  78           HB2      GLN  78  -4.830 -10.503   0.026
  587    HB3  GLN  78           HB3      GLN  78  -6.157 -11.054   1.052
  588    HG2  GLN  78           HG2      GLN  78  -4.160 -12.182   1.738
  589    HG3  GLN  78           HG3      GLN  78  -5.252 -13.366   0.995
  590   HE21  GLN  78          HE21      GLN  78  -2.947 -10.985  -0.436
  591   HE22  GLN  78          HE22      GLN  78  -2.002 -12.181  -1.308
  592    H    VAL  79           H        VAL  79  -8.540 -11.306   0.180
  593    HA   VAL  79           HA       VAL  79  -9.344  -9.144  -1.700
  594    HB   VAL  79           HB       VAL  79 -10.943 -10.777   0.297
  595   HG11  VAL  79          HG11      VAL  79 -11.847  -8.615  -1.659
  596   HG12  VAL  79          HG12      VAL  79 -12.928  -9.700  -0.762
  597   HG13  VAL  79          HG13      VAL  79 -11.937  -8.527   0.117
  598   HG21  VAL  79          HG21      VAL  79 -10.267 -12.008  -1.732
  599   HG22  VAL  79          HG22      VAL  79 -12.006 -11.672  -1.764
  600   HG23  VAL  79          HG23      VAL  79 -10.901 -10.692  -2.753
  601    H    LEU  80           H        LEU  80 -10.067  -7.160  -0.959
  602    HA   LEU  80           HA       LEU  80  -9.175  -6.438   1.790
  603    HB2  LEU  80           HB2      LEU  80  -8.914  -4.097   0.585
  604    HB3  LEU  80           HB3      LEU  80  -7.601  -5.244   0.772
  605    HG   LEU  80           HG       LEU  80  -7.635  -4.205  -1.423
  606   HD11  LEU  80          HD11      LEU  80  -6.757  -6.552  -1.089
  607   HD12  LEU  80          HD12      LEU  80  -8.270  -7.143  -1.835
  608   HD13  LEU  80          HD13      LEU  80  -7.203  -6.095  -2.747
  609   HD21  LEU  80          HD21      LEU  80 -10.115  -3.958  -1.586
  610   HD22  LEU  80          HD22      LEU  80 -10.227  -5.695  -1.948
  611   HD23  LEU  80          HD23      LEU  80  -9.331  -4.616  -3.050
  612    H    ASP  81           H        ASP  81 -10.380  -5.080   2.963
  613    HA   ASP  81           HA       ASP  81 -13.203  -4.803   2.085
  614    HB2  ASP  81           HB2      ASP  81 -11.827  -4.821   4.803
  615    HB3  ASP  81           HB3      ASP  81 -13.545  -4.492   4.597
  616    H    ILE  82           H        ILE  82 -13.491  -2.893   1.060
  617    HA   ILE  82           HA       ILE  82 -11.944  -0.553   1.999
  618    HB   ILE  82           HB       ILE  82 -13.394  -1.126  -0.599
  619   HG12  ILE  82          HG12      ILE  82 -10.412  -0.830  -0.075
  620   HG13  ILE  82          HG13      ILE  82 -11.232  -2.406  -0.059
  621   HG21  ILE  82          HG21      ILE  82 -13.399   1.286  -0.036
  622   HG22  ILE  82          HG22      ILE  82 -11.635   1.238   0.184
  623   HG23  ILE  82          HG23      ILE  82 -12.350   0.960  -1.418
  624   HD11  ILE  82          HD11      ILE  82 -11.990  -2.098  -2.347
  625   HD12  ILE  82          HD12      ILE  82 -11.222  -0.497  -2.431
  626   HD13  ILE  82          HD13      ILE  82 -10.227  -1.963  -2.260
  627    H    ASN  83           H        ASN  83 -12.949   1.363   2.569
  628    HA   ASN  83           HA       ASN  83 -15.866   1.633   2.457
  629    HB2  ASN  83           HB2      ASN  83 -15.254   0.149   4.478
  630    HB3  ASN  83           HB3      ASN  83 -14.476   1.581   5.162
  631   HD21  ASN  83          HD21      ASN  83 -15.839   3.364   5.888
  632   HD22  ASN  83          HD22      ASN  83 -17.560   3.125   6.071
  633    H    LEU  84           H        LEU  84 -16.539   3.807   3.326
  634    HA   LEU  84           HA       LEU  84 -14.662   5.875   2.668
  635    HB2  LEU  84           HB2      LEU  84 -17.429   5.730   3.162
  636    HB3  LEU  84           HB3      LEU  84 -16.785   6.662   4.524
  637    HG   LEU  84           HG       LEU  84 -15.451   7.942   2.584
  638   HD11  LEU  84          HD11      LEU  84 -16.191   6.502   0.761
  639   HD12  LEU  84          HD12      LEU  84 -17.894   6.832   1.165
  640   HD13  LEU  84          HD13      LEU  84 -16.847   8.142   0.559
  641   HD21  LEU  84          HD21      LEU  84 -17.369   9.533   2.464
  642   HD22  LEU  84          HD22      LEU  84 -17.055   8.978   4.123
  643   HD23  LEU  84          HD23      LEU  84 -18.417   8.303   3.201
  644    H    ALA  85           H        ALA  85 -13.793   7.492   4.264
  645    HA   ALA  85           HA       ALA  85 -12.558   5.989   6.431
  646    HB1  ALA  85           HB1      ALA  85 -12.216   8.858   5.537
  647    HB2  ALA  85           HB2      ALA  85 -11.139   7.953   6.640
  648    HB3  ALA  85           HB3      ALA  85 -11.278   7.454   4.939
  649    H    ALA  86           H        ALA  86 -15.462   7.676   6.296
  650    HA   ALA  86           HA       ALA  86 -15.294   8.258   9.211
  651    HB1  ALA  86           HB1      ALA  86 -16.689  10.250   8.831
  652    HB2  ALA  86           HB2      ALA  86 -15.136  10.349   7.972
  653    HB3  ALA  86           HB3      ALA  86 -16.630   9.958   7.078
  654    H    GLU  87           H        GLU  87 -16.507   6.076   7.223
  655    HA   GLU  87           HA       GLU  87 -19.137   6.008   8.609
  656    HB2  GLU  87           HB2      GLU  87 -18.745   5.535   5.633
  657    HB3  GLU  87           HB3      GLU  87 -20.259   5.353   6.543
  658    HG2  GLU  87           HG2      GLU  87 -20.073   7.789   7.187
  659    HG3  GLU  87           HG3      GLU  87 -18.696   7.928   6.088
  660    HA   PRO  88           HA       PRO  88 -16.810   1.891   8.359
  661    HB2  PRO  88           HB2      PRO  88 -16.200   1.515  11.009
  662    HB3  PRO  88           HB3      PRO  88 -15.142   2.404   9.874
  663    HG2  PRO  88           HG2      PRO  88 -17.185   3.566  11.798
  664    HG3  PRO  88           HG3      PRO  88 -15.468   4.059  11.559
  665    HD2  PRO  88           HD2      PRO  88 -17.505   5.381  10.350
  666    HD3  PRO  88           HD3      PRO  88 -15.959   5.080   9.491
  667    H    LYS  89           H        LYS  89 -17.873  -0.003   8.653
  668    HA   LYS  89           HA       LYS  89 -20.275  -0.096  10.411
  669    HB2  LYS  89           HB2      LYS  89 -20.068  -0.889   7.480
  670    HB3  LYS  89           HB3      LYS  89 -21.429  -1.314   8.517
  671    HG2  LYS  89           HG2      LYS  89 -20.554   1.525   7.846
  672    HG3  LYS  89           HG3      LYS  89 -21.898   0.667   7.092
  673    HD2  LYS  89           HD2      LYS  89 -21.687   1.418  10.042
  674    HD3  LYS  89           HD3      LYS  89 -22.698   2.215   8.835
  675    HE2  LYS  89           HE2      LYS  89 -22.949  -0.695   9.698
  676    HE3  LYS  89           HE3      LYS  89 -23.972   0.628  10.251
  677    HZ1  LYS  89           HZ1      LYS  89 -23.738  -0.285   7.459
  678    HZ2  LYS  89           HZ2      LYS  89 -25.008  -0.562   8.466
  679    HZ3  LYS  89           HZ3      LYS  89 -24.671   0.967   7.973
  680    H    VAL  90           H        VAL  90 -17.323  -1.312   9.898
  681    HA   VAL  90           HA       VAL  90 -18.131  -4.150  10.348
  682    HB   VAL  90           HB       VAL  90 -15.594  -3.043   9.095
  683   HG11  VAL  90          HG11      VAL  90 -15.149  -5.168  10.252
  684   HG12  VAL  90          HG12      VAL  90 -16.591  -5.903   9.498
  685   HG13  VAL  90          HG13      VAL  90 -15.196  -5.435   8.504
  686   HG21  VAL  90          HG21      VAL  90 -17.542  -2.807   7.610
  687   HG22  VAL  90          HG22      VAL  90 -16.476  -4.098   7.028
  688   HG23  VAL  90          HG23      VAL  90 -17.977  -4.511   7.885
  689    H    ASN  91           H        ASN  91 -16.860  -5.385  11.817
  690    HA   ASN  91           HA       ASN  91 -16.427  -3.894  14.252
  691    HB2  ASN  91           HB2      ASN  91 -15.811  -6.822  13.820
  692    HB3  ASN  91           HB3      ASN  91 -16.346  -6.014  15.301
  693   HD21  ASN  91          HD21      ASN  91 -17.301  -7.300  12.162
  694   HD22  ASN  91          HD22      ASN  91 -19.024  -7.351  12.485
  695    H    ARG  92           H        ARG  92 -14.414  -4.129  11.704
  696    HA   ARG  92           HA       ARG  92 -12.195  -4.389  11.322
  697    HB2  ARG  92           HB2      ARG  92 -12.122  -2.901  13.973
  698    HB3  ARG  92           HB3      ARG  92 -10.712  -3.131  12.918
  699    HG2  ARG  92           HG2      ARG  92 -12.008  -2.091  11.032
  700    HG3  ARG  92           HG3      ARG  92 -13.312  -1.714  12.182
  701    HD2  ARG  92           HD2      ARG  92 -10.425  -0.738  12.331
  702    HD3  ARG  92           HD3      ARG  92 -11.817   0.226  11.822
  703    HE   ARG  92           HE       ARG  92 -12.733   0.029  14.086
  704   HH11  ARG  92          HH11      ARG  92  -9.274  -0.742  13.714
  705   HH12  ARG  92          HH12      ARG  92  -8.933  -0.431  15.394
  706   HH21  ARG  92          HH21      ARG  92 -12.220   0.408  16.256
  707   HH22  ARG  92          HH22      ARG  92 -10.582   0.201  16.823
  708    H    GLY  93           H        GLY  93 -13.229  -6.709  12.092
  709    HA2  GLY  93           HA2      GLY  93 -11.991  -7.915  14.375
  710    HA3  GLY  93           HA3      GLY  93 -12.911  -8.724  13.079
  711    H    LYS  94           H        LYS  94 -10.351  -6.923  11.760
  712    HA   LYS  94           HA       LYS  94  -8.459  -7.494  10.688
  713    HB2  LYS  94           HB2      LYS  94  -8.032  -9.371  13.023
  714    HB3  LYS  94           HB3      LYS  94  -6.789  -8.734  11.920
  715    HG2  LYS  94           HG2      LYS  94  -7.367  -6.419  12.656
  716    HG3  LYS  94           HG3      LYS  94  -8.536  -7.083  13.806
  717    HD2  LYS  94           HD2      LYS  94  -5.546  -7.666  13.834
  718    HD3  LYS  94           HD3      LYS  94  -6.401  -6.538  14.908
  719    HE2  LYS  94           HE2      LYS  94  -7.788  -8.403  15.757
  720    HE3  LYS  94           HE3      LYS  94  -6.919  -9.531  14.699
  721    HZ1  LYS  94           HZ1      LYS  94  -6.027  -9.548  16.916
  722    HZ2  LYS  94           HZ2      LYS  94  -4.899  -8.972  15.866
  723    HZ3  LYS  94           HZ3      LYS  94  -5.705  -7.938  16.858
  724    H    ALA  95           H        ALA  95 -10.996  -9.490  10.661
  725    HA   ALA  95           HA       ALA  95  -9.913 -11.085   8.477
  726    HB1  ALA  95           HB1      ALA  95 -10.957 -12.431  11.008
  727    HB2  ALA  95           HB2      ALA  95 -10.531 -13.249   9.486
  728    HB3  ALA  95           HB3      ALA  95  -9.269 -12.445  10.442
  729    H    GLY  96           H        GLY  96 -11.639 -12.244   7.348
  730    HA2  GLY  96           HA2      GLY  96 -14.127 -10.738   7.351
  731    HA3  GLY  96           HA3      GLY  96 -13.652 -12.042   6.239
  732    H    VAL  97           H        VAL  97 -13.226 -12.989   9.483
  733    HA   VAL  97           HA       VAL  97 -15.317 -14.976   9.251
  734    HB   VAL  97           HB       VAL  97 -13.439 -14.232  11.530
  735   HG11  VAL  97          HG11      VAL  97 -15.352 -15.519  12.386
  736   HG12  VAL  97          HG12      VAL  97 -15.152 -16.714  11.078
  737   HG13  VAL  97          HG13      VAL  97 -13.908 -16.543  12.335
  738   HG21  VAL  97          HG21      VAL  97 -12.266 -14.939   9.481
  739   HG22  VAL  97          HG22      VAL  97 -12.144 -16.185  10.737
  740   HG23  VAL  97          HG23      VAL  97 -13.287 -16.396   9.393
  741    H    LYS  98           H        LYS  98 -15.106 -11.797  10.679
  742    HA   LYS  98           HA       LYS  98 -17.254 -12.214  12.591
  743    HB2  LYS  98           HB2      LYS  98 -16.038  -9.671  11.460
  744    HB3  LYS  98           HB3      LYS  98 -17.154  -9.741  12.834
  745    HG2  LYS  98           HG2      LYS  98 -14.367 -10.971  12.699
  746    HG3  LYS  98           HG3      LYS  98 -14.844  -9.538  13.615
  747    HD2  LYS  98           HD2      LYS  98 -15.825 -12.381  14.111
  748    HD3  LYS  98           HD3      LYS  98 -14.649 -11.479  15.085
  749    HE2  LYS  98           HE2      LYS  98 -16.372  -9.768  15.584
  750    HE3  LYS  98           HE3      LYS  98 -17.558 -10.696  14.647
  751    HZ1  LYS  98           HZ1      LYS  98 -17.248 -12.516  16.186
  752    HZ2  LYS  98           HZ2      LYS  98 -16.159 -11.640  17.058
  753    HZ3  LYS  98           HZ3      LYS  98 -17.727 -11.162  16.986
  754    H    ARG  99           H        ARG  99 -19.316 -11.213  12.563
  755    HA   ARG  99           HA       ARG  99 -20.507 -10.982   9.832
  756    HB2  ARG  99           HB2      ARG  99 -21.400 -12.240  12.399
  757    HB3  ARG  99           HB3      ARG  99 -22.628 -11.384  11.462
  758    HG2  ARG  99           HG2      ARG  99 -22.624 -13.719  10.847
  759    HG3  ARG  99           HG3      ARG  99 -22.117 -12.727   9.474
  760    HD2  ARG  99           HD2      ARG  99 -19.765 -13.309   9.894
  761    HD3  ARG  99           HD3      ARG  99 -20.244 -14.249  11.327
  762    HE   ARG  99           HE       ARG  99 -21.691 -15.142   9.013
  763   HH11  ARG  99          HH11      ARG  99 -18.447 -15.304  10.440
  764   HH12  ARG  99          HH12      ARG  99 -18.087 -16.843   9.702
  765   HH21  ARG  99          HH21      ARG  99 -21.170 -17.132   8.058
  766   HH22  ARG  99          HH22      ARG  99 -19.611 -17.864   8.346
  767    H    SER 100           H        SER 100 -22.440  -9.570   9.728
  768    HA   SER 100           HA       SER 100 -21.864  -6.964  10.933
  769    HB2  SER 100           HB2      SER 100 -22.502  -7.151   8.572
  770    HB3  SER 100           HB3      SER 100 -24.038  -7.916   9.034
  771    HG   SER 100           HG       SER 100 -24.209  -5.646   8.664
  772    H    ALA 101           H        ALA 101 -23.490  -5.730  12.121
  773    HA   ALA 101           HA       ALA 101 -24.752  -7.294  14.178
  774    HB1  ALA 101           HB1      ALA 101 -24.998  -4.343  13.469
  775    HB2  ALA 101           HB2      ALA 101 -25.513  -5.101  14.994
  776    HB3  ALA 101           HB3      ALA 101 -23.790  -5.068  14.563
  777    H    ALA 102           H        ALA 102 -25.718  -6.484  11.008
  778    HA   ALA 102           HA       ALA 102 -28.612  -6.668  11.634
  779    HB1  ALA 102           HB1      ALA 102 -27.124  -6.025   9.063
  780    HB2  ALA 102           HB2      ALA 102 -28.887  -5.946   9.296
  781    HB3  ALA 102           HB3      ALA 102 -27.822  -4.830  10.188
  782    H    GLU 103           H        GLU 103 -26.026  -8.695  10.871
  783    HA   GLU 103           HA       GLU 103 -27.842 -10.727   9.666
  784    HB2  GLU 103           HB2      GLU 103 -24.883 -10.270   9.111
  785    HB3  GLU 103           HB3      GLU 103 -25.868 -11.595   8.464
  786    HG2  GLU 103           HG2      GLU 103 -27.363  -9.933   7.375
  787    HG3  GLU 103           HG3      GLU 103 -26.322  -8.626   7.959
  788    H    MET 104           H        MET 104 -26.512  -9.896  12.483
  789    HA   MET 104           HA       MET 104 -25.041 -12.279  13.214
  790    HB2  MET 104           HB2      MET 104 -24.754 -10.002  14.227
  791    HB3  MET 104           HB3      MET 104 -26.362 -10.147  14.936
  792    HG2  MET 104           HG2      MET 104 -24.820 -10.773  16.638
  793    HG3  MET 104           HG3      MET 104 -25.570 -12.273  16.086
  794    HE1  MET 104           HE1      MET 104 -21.289 -10.770  15.300
  795    HE2  MET 104           HE2      MET 104 -22.700 -10.039  14.491
  796    HE3  MET 104           HE3      MET 104 -22.574  -9.979  16.256
  797    H    TYR 105           H        TYR 105 -28.406 -11.192  13.401
  798    HA   TYR 105           HA       TYR 105 -29.216 -13.874  14.416
  799    HB2  TYR 105           HB2      TYR 105 -30.220 -11.161  15.363
  800    HB3  TYR 105           HB3      TYR 105 -30.928 -12.713  15.802
  801    HD1  TYR 105           HD1      TYR 105 -27.985 -10.504  16.236
  802    HD2  TYR 105           HD2      TYR 105 -29.889 -14.176  17.410
  803    HE1  TYR 105           HE1      TYR 105 -26.460 -10.664  18.188
  804    HE2  TYR 105           HE2      TYR 105 -28.346 -14.361  19.351
  805    HH   TYR 105           HH       TYR 105 -25.841 -11.894  20.028
  806    H    GLY 106           H        GLY 106 -29.524 -11.395  12.106
  807    HA2  GLY 106           HA2      GLY 106 -30.873 -11.179  10.268
  808    HA3  GLY 106           HA3      GLY 106 -31.579 -12.764  10.655
  809    H5'    A   1           H5'        A   1   2.133 -13.201   8.170
  810   H5''    A   1          H5''        A   1   3.632 -12.926   7.257
  811    H4'    A   1           H4'        A   1   3.228 -12.154  10.187
  812    H3'    A   1           H3'        A   1   1.891 -10.847   8.261
  813    H2'    A   1           H2'        A   1   3.570 -10.729   6.622
  814   HO2'    A   1          HO2'        A   1   3.926  -8.439   8.261
  815    H1'    A   1           H1'        A   1   5.802  -9.938   8.371
  816    H8     A   1           H8         A   1   5.763 -10.019   5.324
  817    H61    A   1           H61        A   1   8.713 -15.369   4.233
  818    H62    A   1           H62        A   1   8.226 -13.832   3.541
  819    H2     A   1           H2         A   1   7.342 -15.466   8.380
  820    H5'    U   2           H5'        U   2   1.220  -7.303   9.132
  821   H5''    U   2          H5''        U   2   0.380  -7.119  10.687
  822    H4'    U   2           H4'        U   2  -1.095  -6.172   9.124
  823    H3'    U   2           H3'        U   2  -1.945  -8.364  10.574
  824    H2'    U   2           H2'        U   2  -1.470  -9.932   8.830
  825   HO2'    U   2          HO2'        U   2  -3.726 -10.096   9.405
  826    H1'    U   2           H1'        U   2  -2.693  -8.017   6.841
  827    H3     U   2           H3         U   2  -2.217 -11.410   3.846
  828    H5     U   2           H5         U   2   1.402 -11.464   5.985
  829    H6     U   2           H6         U   2   0.585  -9.618   7.304
  830    H5'    U   3           H5'        U   3  -6.368  -5.859  10.099
  831   H5''    U   3          H5''        U   3  -5.598  -5.852   8.495
  832    H4'    U   3           H4'        U   3  -5.659  -3.272   8.685
  833    H3'    U   3           H3'        U   3  -6.516  -3.832  11.266
  834    H2'    U   3           H2'        U   3  -8.583  -4.737  10.622
  835   HO2'    U   3          HO2'        U   3  -8.805  -2.364  11.617
  836    H1'    U   3           H1'        U   3  -8.835  -2.631   8.470
  837    H3     U   3           H3         U   3 -12.852  -4.273   7.187
  838    H5     U   3           H5         U   3 -10.849  -7.684   8.605
  839    H6     U   3           H6         U   3  -8.911  -6.282   9.057
  840    H5'    U   4           H5'        U   4  -8.297   0.993  11.184
  841   H5''    U   4          H5''        U   4  -7.348   0.713   9.713
  842    H4'    U   4           H4'        U   4  -5.907   2.716  10.386
  843    H3'    U   4           H3'        U   4  -7.079   2.559  12.867
  844    H2'    U   4           H2'        U   4  -9.309   2.792  12.052
  845   HO2'    U   4          HO2'        U   4  -8.921   4.431  13.655
  846    H1'    U   4           H1'        U   4  -8.317   5.077  10.317
  847    H3     U   4           H3         U   4 -12.381   5.982   8.678
  848    H5     U   4           H5         U   4 -12.614   1.858   9.450
  849    H6     U   4           H6         U   4 -10.331   1.934  10.257
  850    H5'    U   5           H5'        U   5  -4.048   3.316  10.588
  851   H5''    U   5          H5''        U   5  -2.660   3.348  11.689
  852    H4'    U   5           H4'        U   5  -1.763   3.929   9.607
  853    H3'    U   5           H3'        U   5  -1.600   5.774  11.644
  854    H2'    U   5           H2'        U   5  -3.434   7.102  10.998
  855   HO2'    U   5          HO2'        U   5  -1.286   8.293  10.651
  856    H1'    U   5           H1'        U   5  -2.683   6.865   8.092
  857    H3     U   5           H3         U   5  -6.445   8.883   6.740
  858    H5     U   5           H5         U   5  -7.646   7.027  10.326
  859    H6     U   5           H6         U   5  -5.394   6.156  10.544
  860    H5'    U   6           H5'        U   6   1.658   5.075   8.568
  861   H5''    U   6          H5''        U   6   3.122   5.357   9.514
  862    H4'    U   6           H4'        U   6   3.522   5.266   7.062
  863    H3'    U   6           H3'        U   6   4.698   6.996   8.839
  864    H2'    U   6           H2'        U   6   3.274   8.836   8.404
  865   HO2'    U   6          HO2'        U   6   5.483   9.399   7.769
  866    H1'    U   6           H1'        U   6   3.225   8.269   5.446
  867    H3     U   6           H3         U   6   0.996  12.283   5.745
  868    H5     U   6           H5         U   6  -1.458   9.471   7.685
  869    H6     U   6           H6         U   6   0.338   7.874   7.526
  870    H5'    C   7           H5'        C   7   6.247   6.970   4.315
  871   H5''    C   7          H5''        C   7   8.021   7.034   4.362
  872    H4'    C   7           H4'        C   7   6.249   9.404   3.587
  873    H3'    C   7           H3'        C   7   6.253   7.263   1.999
  874    H2'    C   7           H2'        C   7   8.525   6.673   2.240
  875   HO2'    C   7          HO2'        C   7   8.160   6.922  -0.017
  876    H1'    C   7           H1'        C   7   9.638   9.390   1.788
  877    H41    C   7           H41        C   7  13.647   6.906   6.298
  878    H42    C   7           H42        C   7  13.742   5.556   5.181
  879    H5     C   7           H5         C   7  12.343   5.397   3.177
  880    H6     C   7           H6         C   7  10.564   6.445   1.942
  Start of MODEL    6
    1    H1   ALA   2           H        ALA   2   2.136  10.800  -6.491
    2    H2   ALA   2           H2       ALA   2   1.240   9.624  -5.747
    3    HA   ALA   2           HA       ALA   2   0.473  12.441  -6.056
    4    HB1  ALA   2           HB1      ALA   2  -1.465  10.898  -6.136
    5    HB2  ALA   2           HB2      ALA   2  -0.945  10.168  -4.604
    6    HB3  ALA   2           HB3      ALA   2  -1.467  11.869  -4.656
    7    H    SER   3           H        SER   3  -0.114  13.196  -3.632
    8    HA   SER   3           HA       SER   3   2.406  13.308  -2.275
    9    HB2  SER   3           HB2      SER   3   0.663  15.111  -2.339
   10    HB3  SER   3           HB3      SER   3  -0.337  14.115  -1.249
   11    HG   SER   3           HG       SER   3   0.992  15.669  -0.169
   12    H    ASN   4           H        ASN   4   2.262  13.030   0.280
   13    HA   ASN   4           HA       ASN   4   1.620  10.161   0.691
   14    HB2  ASN   4           HB2      ASN   4   4.041  10.943   0.689
   15    HB3  ASN   4           HB3      ASN   4   3.672  11.865   2.147
   16   HD21  ASN   4          HD21      ASN   4   5.336  10.562   3.207
   17   HD22  ASN   4          HD22      ASN   4   4.951   8.940   3.748
   18    H    VAL   5           H        VAL   5  -0.222  12.587   1.163
   19    HA   VAL   5           HA       VAL   5  -0.435  12.376   4.131
   20    HB   VAL   5           HB       VAL   5  -1.119  14.746   2.363
   21   HG11  VAL   5          HG11      VAL   5  -0.964  14.407   5.387
   22   HG12  VAL   5          HG12      VAL   5  -1.324  15.924   4.526
   23   HG13  VAL   5          HG13      VAL   5  -2.458  14.561   4.437
   24   HG21  VAL   5          HG21      VAL   5   1.297  14.391   2.415
   25   HG22  VAL   5          HG22      VAL   5   0.883  15.772   3.449
   26   HG23  VAL   5          HG23      VAL   5   1.266  14.193   4.184
   27    H    THR   6           H        THR   6  -2.250  11.593   4.918
   28    HA   THR   6           HA       THR   6  -4.744  11.839   3.388
   29    HB   THR   6           HB       THR   6  -5.216   9.436   3.440
   30    HG1  THR   6           HG1      THR   6  -3.970   8.891   5.273
   31   HG21  THR   6          HG21      THR   6  -3.631   8.611   1.832
   32   HG22  THR   6          HG22      THR   6  -3.940  10.327   1.484
   33   HG23  THR   6          HG23      THR   6  -2.425   9.818   2.306
   34    H    ASN   7           H        ASN   7  -3.374  12.392   6.316
   35    HA   ASN   7           HA       ASN   7  -5.551  11.064   7.821
   36    HB2  ASN   7           HB2      ASN   7  -4.224  11.134   9.767
   37    HB3  ASN   7           HB3      ASN   7  -3.235  10.515   8.457
   38   HD21  ASN   7          HD21      ASN   7  -1.593  11.105  10.171
   39   HD22  ASN   7          HD22      ASN   7  -0.915  12.723  10.101
   40    H    LYS   8           H        LYS   8  -5.775  13.706   6.286
   41    HA   LYS   8           HA       LYS   8  -6.184  15.773   8.245
   42    HB2  LYS   8           HB2      LYS   8  -7.129  15.262   5.418
   43    HB3  LYS   8           HB3      LYS   8  -7.836  16.569   6.370
   44    HG2  LYS   8           HG2      LYS   8  -6.050  17.387   4.950
   45    HG3  LYS   8           HG3      LYS   8  -5.693  17.654   6.657
   46    HD2  LYS   8           HD2      LYS   8  -4.628  15.212   5.215
   47    HD3  LYS   8           HD3      LYS   8  -3.829  16.774   5.012
   48    HE2  LYS   8           HE2      LYS   8  -4.295  15.449   7.714
   49    HE3  LYS   8           HE3      LYS   8  -2.791  15.373   6.791
   50    HZ1  LYS   8           HZ1      LYS   8  -4.043  17.846   7.764
   51    HZ2  LYS   8           HZ2      LYS   8  -2.731  17.106   8.421
   52    HZ3  LYS   8           HZ3      LYS   8  -2.639  17.750   6.910
   53    H    THR   9           H        THR   9  -8.175  16.632   9.037
   54    HA   THR   9           HA       THR   9 -10.245  14.531   9.418
   55    HB   THR   9           HB       THR   9 -10.472  15.336  11.770
   56    HG1  THR   9           HG1      THR   9  -9.436  17.335  11.592
   57   HG21  THR   9          HG21      THR   9  -8.534  14.098  12.594
   58   HG22  THR   9          HG22      THR   9  -9.191  13.298  11.160
   59   HG23  THR   9          HG23      THR   9  -7.711  14.276  11.021
   60    H    ASP  10           H        ASP  10 -10.019  16.997   7.639
   61    HA   ASP  10           HA       ASP  10 -11.913  18.903   8.633
   62    HB2  ASP  10           HB2      ASP  10 -10.971  18.224   5.822
   63    HB3  ASP  10           HB3      ASP  10 -11.936  19.641   6.245
   64    HA   PRO  11           HA       PRO  11 -15.723  16.928   8.083
   65    HB2  PRO  11           HB2      PRO  11 -17.377  18.946   7.205
   66    HB3  PRO  11           HB3      PRO  11 -16.707  18.857   8.873
   67    HG2  PRO  11           HG2      PRO  11 -15.636  20.428   6.514
   68    HG3  PRO  11           HG3      PRO  11 -15.936  21.011   8.188
   69    HD2  PRO  11           HD2      PRO  11 -13.470  20.246   7.411
   70    HD3  PRO  11           HD3      PRO  11 -14.074  19.790   9.030
   71    H    ARG  12           H        ARG  12 -13.981  17.879   5.385
   72    HA   ARG  12           HA       ARG  12 -15.878  16.403   3.619
   73    HB2  ARG  12           HB2      ARG  12 -15.440  17.885   1.777
   74    HB3  ARG  12           HB3      ARG  12 -16.026  18.807   3.160
   75    HG2  ARG  12           HG2      ARG  12 -14.312  20.144   2.377
   76    HG3  ARG  12           HG3      ARG  12 -13.479  19.234   3.653
   77    HD2  ARG  12           HD2      ARG  12 -12.570  17.690   1.916
   78    HD3  ARG  12           HD3      ARG  12 -13.459  18.579   0.669
   79    HE   ARG  12           HE       ARG  12 -11.747  20.323   2.215
   80   HH11  ARG  12          HH11      ARG  12 -11.758  17.947  -0.402
   81   HH12  ARG  12          HH12      ARG  12 -10.314  18.587  -1.147
   82   HH21  ARG  12          HH21      ARG  12  -9.850  21.127   1.233
   83   HH22  ARG  12          HH22      ARG  12  -9.238  20.383  -0.225
   84    H    SER  13           H        SER  13 -12.719  16.692   4.898
   85    HA   SER  13           HA       SER  13 -11.475  15.157   2.713
   86    HB2  SER  13           HB2      SER  13 -10.376  16.099   5.381
   87    HB3  SER  13           HB3      SER  13  -9.444  15.331   4.077
   88    HG   SER  13           HG       SER  13  -9.346  17.619   3.983
   89    H    MET  14           H        MET  14 -13.023  14.659   5.803
   90    HA   MET  14           HA       MET  14 -11.975  12.022   6.324
   91    HB2  MET  14           HB2      MET  14 -14.345  13.681   7.263
   92    HB3  MET  14           HB3      MET  14 -14.103  12.043   7.857
   93    HG2  MET  14           HG2      MET  14 -12.034  14.259   8.024
   94    HG3  MET  14           HG3      MET  14 -13.176  13.871   9.319
   95    HE1  MET  14           HE1      MET  14 -13.345  11.053   9.841
   96    HE2  MET  14           HE2      MET  14 -12.757  10.511   8.248
   97    HE3  MET  14           HE3      MET  14 -11.912   9.990   9.730
   98    H    ASN  15           H        ASN  15 -14.319  13.263   4.117
   99    HA   ASN  15           HA       ASN  15 -15.397  10.516   3.697
  100    HB2  ASN  15           HB2      ASN  15 -17.429  11.769   2.740
  101    HB3  ASN  15           HB3      ASN  15 -17.220  11.684   4.494
  102   HD21  ASN  15          HD21      ASN  15 -16.827  13.529   5.691
  103   HD22  ASN  15          HD22      ASN  15 -16.899  15.136   5.004
  104    H    SER  16           H        SER  16 -13.391  12.871   2.385
  105    HA   SER  16           HA       SER  16 -13.889  11.915  -0.371
  106    HB2  SER  16           HB2      SER  16 -12.384  13.667  -1.079
  107    HB3  SER  16           HB3      SER  16 -13.560  14.376   0.056
  108    HG   SER  16           HG       SER  16 -11.374  14.961   0.481
  109    H    ARG  17           H        ARG  17 -12.664  10.485   2.107
  110    HA   ARG  17           HA       ARG  17 -10.099   9.632   0.822
  111    HB2  ARG  17           HB2      ARG  17  -9.810  10.991   2.817
  112    HB3  ARG  17           HB3      ARG  17 -10.789   9.839   3.760
  113    HG2  ARG  17           HG2      ARG  17  -9.164   8.092   3.456
  114    HG3  ARG  17           HG3      ARG  17  -8.315   9.020   2.183
  115    HD2  ARG  17           HD2      ARG  17  -7.090   9.163   4.273
  116    HD3  ARG  17           HD3      ARG  17  -7.744  10.757   3.816
  117    HE   ARG  17           HE       ARG  17  -8.979   8.969   5.862
  118   HH11  ARG  17          HH11      ARG  17  -8.248  12.232   4.643
  119   HH12  ARG  17          HH12      ARG  17  -8.753  13.000   6.131
  120   HH21  ARG  17          HH21      ARG  17  -9.584  10.047   7.777
  121   HH22  ARG  17          HH22      ARG  17  -9.553  11.799   7.847
  122    H    VAL  18           H        VAL  18  -9.527   7.455   1.027
  123    HA   VAL  18           HA       VAL  18 -11.812   5.592   1.478
  124    HB   VAL  18           HB       VAL  18  -9.362   5.228  -0.285
  125   HG11  VAL  18          HG11      VAL  18 -10.707   3.377  -1.241
  126   HG12  VAL  18          HG12      VAL  18 -10.334   3.127   0.481
  127   HG13  VAL  18          HG13      VAL  18 -11.955   3.665  -0.014
  128   HG21  VAL  18          HG21      VAL  18 -10.746   7.019  -1.228
  129   HG22  VAL  18          HG22      VAL  18 -10.905   5.537  -2.187
  130   HG23  VAL  18          HG23      VAL  18 -12.206   6.004  -1.059
  131    H    PHE  19           H        PHE  19 -11.558   4.015   2.937
  132    HA   PHE  19           HA       PHE  19  -8.878   3.553   4.154
  133    HB2  PHE  19           HB2      PHE  19 -10.583   4.160   5.755
  134    HB3  PHE  19           HB3      PHE  19 -11.715   3.005   5.064
  135    HD1  PHE  19           HD1      PHE  19  -8.096   2.614   6.045
  136    HD2  PHE  19           HD2      PHE  19 -12.175   1.413   6.675
  137    HE1  PHE  19           HE1      PHE  19  -7.343   0.874   7.650
  138    HE2  PHE  19           HE2      PHE  19 -11.419  -0.327   8.272
  139    HZ   PHE  19           HZ       PHE  19  -9.003  -0.594   8.763
  140    H    ILE  20           H        ILE  20  -7.897   1.594   3.804
  141    HA   ILE  20           HA       ILE  20  -9.440  -0.494   2.320
  142    HB   ILE  20           HB       ILE  20  -6.552   0.354   1.863
  143   HG12  ILE  20          HG12      ILE  20  -8.902   0.766  -0.018
  144   HG13  ILE  20          HG13      ILE  20  -8.309   2.019   1.086
  145   HG21  ILE  20          HG21      ILE  20  -8.349  -1.601   0.354
  146   HG22  ILE  20          HG22      ILE  20  -6.673  -1.190  -0.064
  147   HG23  ILE  20          HG23      ILE  20  -7.025  -2.056   1.443
  148   HD11  ILE  20          HD11      ILE  20  -6.661   0.674  -1.096
  149   HD12  ILE  20          HD12      ILE  20  -7.334   2.313  -1.148
  150   HD13  ILE  20          HD13      ILE  20  -6.069   1.912   0.032
  151    H    GLY  21           H        GLY  21  -9.663  -2.067   3.840
  152    HA2  GLY  21           HA2      GLY  21  -7.351  -2.624   5.656
  153    HA3  GLY  21           HA3      GLY  21  -9.044  -2.922   6.040
  154    H    ASN  22           H        ASN  22  -7.422  -4.926   6.521
  155    HA   ASN  22           HA       ASN  22  -6.880  -7.057   6.144
  156    HB2  ASN  22           HB2      ASN  22  -9.404  -7.061   6.047
  157    HB3  ASN  22           HB3      ASN  22  -9.263  -7.173   4.287
  158   HD21  ASN  22          HD21      ASN  22  -8.808  -9.194   3.369
  159   HD22  ASN  22          HD22      ASN  22  -8.547 -10.643   4.317
  160    H    LEU  23           H        LEU  23  -5.686  -5.029   4.363
  161    HA   LEU  23           HA       LEU  23  -5.665  -6.015   1.668
  162    HB2  LEU  23           HB2      LEU  23  -5.504  -3.650   2.291
  163    HB3  LEU  23           HB3      LEU  23  -3.971  -3.946   3.109
  164    HG   LEU  23           HG       LEU  23  -2.921  -4.546   0.945
  165   HD11  LEU  23          HD11      LEU  23  -4.133  -4.147  -1.165
  166   HD12  LEU  23          HD12      LEU  23  -4.940  -5.416  -0.227
  167   HD13  LEU  23          HD13      LEU  23  -5.618  -3.771  -0.258
  168   HD21  LEU  23          HD21      LEU  23  -2.891  -2.207   1.710
  169   HD22  LEU  23          HD22      LEU  23  -4.461  -1.917   0.931
  170   HD23  LEU  23          HD23      LEU  23  -3.034  -2.275  -0.063
  171    H    ASN  24           H        ASN  24  -3.993  -6.890   0.479
  172    HA   ASN  24           HA       ASN  24  -2.190  -8.737   1.776
  173    HB2  ASN  24           HB2      ASN  24  -1.571  -9.124  -0.675
  174    HB3  ASN  24           HB3      ASN  24  -3.263  -9.404  -0.247
  175   HD21  ASN  24          HD21      ASN  24  -1.043  -7.265  -1.986
  176   HD22  ASN  24          HD22      ASN  24  -2.294  -6.386  -2.849
  177    H    THR  25           H        THR  25  -1.289  -6.602   2.957
  178    HA   THR  25           HA       THR  25   0.277  -4.808   1.397
  179    HB   THR  25           HB       THR  25   0.956  -3.904   3.585
  180    HG1  THR  25           HG1      THR  25   1.199  -5.902   4.664
  181   HG21  THR  25          HG21      THR  25  -1.949  -4.825   3.631
  182   HG22  THR  25          HG22      THR  25  -1.289  -3.378   4.408
  183   HG23  THR  25          HG23      THR  25  -1.342  -3.471   2.634
  184    H    LEU  26           H        LEU  26   1.047  -7.979   2.062
  185    HA   LEU  26           HA       LEU  26   3.949  -7.416   2.253
  186    HB2  LEU  26           HB2      LEU  26   4.116  -9.922   2.440
  187    HB3  LEU  26           HB3      LEU  26   3.364  -9.079   3.794
  188    HG   LEU  26           HG       LEU  26   1.569 -10.173   1.627
  189   HD11  LEU  26          HD11      LEU  26   2.832 -11.815   3.867
  190   HD12  LEU  26          HD12      LEU  26   1.522 -12.355   2.790
  191   HD13  LEU  26          HD13      LEU  26   3.131 -12.025   2.126
  192   HD21  LEU  26          HD21      LEU  26   0.093 -10.535   3.562
  193   HD22  LEU  26          HD22      LEU  26   0.631  -8.846   3.540
  194   HD23  LEU  26          HD23      LEU  26   1.385  -9.989   4.665
  195    H    VAL  27           H        VAL  27   1.700  -7.526  -0.128
  196    HA   VAL  27           HA       VAL  27   3.799  -8.238  -2.129
  197    HB   VAL  27           HB       VAL  27   0.847  -8.969  -2.307
  198   HG11  VAL  27          HG11      VAL  27   3.231  -9.524  -4.135
  199   HG12  VAL  27          HG12      VAL  27   1.623 -10.256  -4.322
  200   HG13  VAL  27          HG13      VAL  27   1.815  -8.508  -4.516
  201   HG21  VAL  27          HG21      VAL  27   1.661 -11.319  -2.200
  202   HG22  VAL  27          HG22      VAL  27   3.304 -10.722  -1.872
  203   HG23  VAL  27          HG23      VAL  27   1.983 -10.439  -0.705
  204    H    VAL  28           H        VAL  28   1.171  -6.145  -1.051
  205    HA   VAL  28           HA       VAL  28   1.201  -4.648  -3.561
  206    HB   VAL  28           HB       VAL  28  -0.692  -5.011  -1.645
  207   HG11  VAL  28          HG11      VAL  28   0.314  -2.178  -1.180
  208   HG12  VAL  28          HG12      VAL  28  -1.038  -3.008  -0.376
  209   HG13  VAL  28          HG13      VAL  28   0.633  -3.519  -0.057
  210   HG21  VAL  28          HG21      VAL  28  -1.939  -3.228  -2.751
  211   HG22  VAL  28          HG22      VAL  28  -0.435  -2.575  -3.436
  212   HG23  VAL  28          HG23      VAL  28  -1.021  -4.178  -3.942
  213    H    LYS  29           H        LYS  29   1.808  -2.378  -3.649
  214    HA   LYS  29           HA       LYS  29   3.673  -1.453  -1.549
  215    HB2  LYS  29           HB2      LYS  29   4.900  -0.445  -3.746
  216    HB3  LYS  29           HB3      LYS  29   5.410  -1.920  -2.933
  217    HG2  LYS  29           HG2      LYS  29   3.343  -2.149  -5.117
  218    HG3  LYS  29           HG3      LYS  29   5.026  -1.843  -5.561
  219    HD2  LYS  29           HD2      LYS  29   5.818  -3.821  -4.493
  220    HD3  LYS  29           HD3      LYS  29   4.276  -4.100  -3.665
  221    HE2  LYS  29           HE2      LYS  29   3.147  -4.539  -5.744
  222    HE3  LYS  29           HE3      LYS  29   4.585  -4.080  -6.688
  223    HZ1  LYS  29           HZ1      LYS  29   4.360  -6.376  -4.870
  224    HZ2  LYS  29           HZ2      LYS  29   4.408  -6.446  -6.508
  225    HZ3  LYS  29           HZ3      LYS  29   5.732  -5.945  -5.674
  226    H    LYS  30           H        LYS  30   4.187   1.001  -2.004
  227    HA   LYS  30           HA       LYS  30   1.676   2.331  -1.911
  228    HB2  LYS  30           HB2      LYS  30   3.709   3.200  -0.842
  229    HB3  LYS  30           HB3      LYS  30   4.472   3.440  -2.430
  230    HG2  LYS  30           HG2      LYS  30   2.815   5.087  -3.061
  231    HG3  LYS  30           HG3      LYS  30   1.816   4.699  -1.645
  232    HD2  LYS  30           HD2      LYS  30   3.586   5.544  -0.158
  233    HD3  LYS  30           HD3      LYS  30   4.609   5.918  -1.571
  234    HE2  LYS  30           HE2      LYS  30   2.871   7.458  -2.423
  235    HE3  LYS  30           HE3      LYS  30   1.835   7.071  -1.046
  236    HZ1  LYS  30           HZ1      LYS  30   3.046   9.104  -0.720
  237    HZ2  LYS  30           HZ2      LYS  30   3.500   7.991   0.403
  238    HZ3  LYS  30           HZ3      LYS  30   4.491   8.327  -0.871
  239    H    SER  31           H        SER  31   3.876   1.625  -4.573
  240    HA   SER  31           HA       SER  31   2.629   3.484  -6.421
  241    HB2  SER  31           HB2      SER  31   4.139   2.390  -8.063
  242    HB3  SER  31           HB3      SER  31   5.002   2.952  -6.614
  243    HG   SER  31           HG       SER  31   5.572   0.811  -7.224
  244    H    ASP  32           H        ASP  32   1.688   0.477  -5.165
  245    HA   ASP  32           HA       ASP  32   0.206  -0.292  -7.606
  246    HB2  ASP  32           HB2      ASP  32   0.936  -1.583  -4.989
  247    HB3  ASP  32           HB3      ASP  32  -0.534  -2.110  -5.793
  248    H    VAL  33           H        VAL  33  -0.333   0.877  -4.216
  249    HA   VAL  33           HA       VAL  33  -3.188   0.666  -4.434
  250    HB   VAL  33           HB       VAL  33  -1.482   2.434  -2.629
  251   HG11  VAL  33          HG11      VAL  33  -4.381   1.515  -2.405
  252   HG12  VAL  33          HG12      VAL  33  -3.479   2.419  -1.165
  253   HG13  VAL  33          HG13      VAL  33  -3.838   3.174  -2.730
  254   HG21  VAL  33          HG21      VAL  33  -0.958   0.025  -2.360
  255   HG22  VAL  33          HG22      VAL  33  -1.861   0.626  -0.962
  256   HG23  VAL  33          HG23      VAL  33  -2.693  -0.337  -2.202
  257    H    GLU  34           H        GLU  34  -0.843   3.276  -5.194
  258    HA   GLU  34           HA       GLU  34  -2.999   5.101  -5.887
  259    HB2  GLU  34           HB2      GLU  34  -1.287   6.658  -6.491
  260    HB3  GLU  34           HB3      GLU  34  -0.839   5.888  -4.959
  261    HG2  GLU  34           HG2      GLU  34   0.694   4.375  -6.174
  262    HG3  GLU  34           HG3      GLU  34   0.257   5.153  -7.703
  263    H    ALA  35           H        ALA  35  -2.081   2.344  -7.352
  264    HA   ALA  35           HA       ALA  35  -2.573   3.428 -10.088
  265    HB1  ALA  35           HB1      ALA  35  -1.086   0.917  -9.228
  266    HB2  ALA  35           HB2      ALA  35  -1.344   1.458 -10.899
  267    HB3  ALA  35           HB3      ALA  35  -0.336   2.431  -9.799
  268    H    ILE  36           H        ILE  36  -3.905   1.636  -7.514
  269    HA   ILE  36           HA       ILE  36  -5.680   0.056  -9.305
  270    HB   ILE  36           HB       ILE  36  -4.940  -0.114  -6.371
  271   HG12  ILE  36          HG12      ILE  36  -4.651  -2.214  -8.549
  272   HG13  ILE  36          HG13      ILE  36  -3.417  -0.982  -8.292
  273   HG21  ILE  36          HG21      ILE  36  -6.948  -1.782  -7.940
  274   HG22  ILE  36          HG22      ILE  36  -6.361  -2.158  -6.299
  275   HG23  ILE  36          HG23      ILE  36  -7.319  -0.697  -6.579
  276   HD11  ILE  36          HD11      ILE  36  -4.377  -3.011  -6.231
  277   HD12  ILE  36          HD12      ILE  36  -2.794  -2.959  -7.045
  278   HD13  ILE  36          HD13      ILE  36  -3.247  -1.681  -5.895
  279    H    PHE  37           H        PHE  37  -5.567   2.841  -7.179
  280    HA   PHE  37           HA       PHE  37  -8.548   2.980  -7.201
  281    HB2  PHE  37           HB2      PHE  37  -6.447   4.093  -5.330
  282    HB3  PHE  37           HB3      PHE  37  -8.130   4.616  -5.306
  283    HD1  PHE  37           HD2      PHE  37  -6.046   1.478  -5.144
  284    HD2  PHE  37           HD1      PHE  37  -9.669   3.487  -3.980
  285    HE1  PHE  37           HE2      PHE  37  -6.675  -0.462  -3.761
  286    HE2  PHE  37           HE1      PHE  37 -10.309   1.531  -2.599
  287    HZ   PHE  37           HZ       PHE  37  -8.791  -0.446  -2.468
  288    H    SER  38           H        SER  38  -5.742   4.345  -8.666
  289    HA   SER  38           HA       SER  38  -6.789   7.019  -8.954
  290    HB2  SER  38           HB2      SER  38  -4.401   6.512  -9.070
  291    HB3  SER  38           HB3      SER  38  -4.662   5.536 -10.534
  292    HG   SER  38           HG       SER  38  -5.173   8.313 -10.215
  293    H    LYS  39           H        LYS  39  -7.733   4.050 -10.330
  294    HA   LYS  39           HA       LYS  39  -8.604   5.139 -12.897
  295    HB2  LYS  39           HB2      LYS  39  -9.532   2.911 -13.264
  296    HB3  LYS  39           HB3      LYS  39  -7.883   2.769 -12.629
  297    HG2  LYS  39           HG2      LYS  39  -8.756   2.298 -10.382
  298    HG3  LYS  39           HG3      LYS  39 -10.420   2.578 -10.947
  299    HD2  LYS  39           HD2      LYS  39 -10.212   0.685 -12.521
  300    HD3  LYS  39           HD3      LYS  39  -8.560   0.373 -11.919
  301    HE2  LYS  39           HE2      LYS  39  -9.435  -0.024  -9.665
  302    HE3  LYS  39           HE3      LYS  39 -11.069   0.410 -10.194
  303    HZ1  LYS  39           HZ1      LYS  39 -10.795  -1.934 -10.118
  304    HZ2  LYS  39           HZ2      LYS  39 -11.022  -1.473 -11.679
  305    HZ3  LYS  39           HZ3      LYS  39  -9.516  -1.896 -11.159
  306    H    TYR  40           H        TYR  40  -9.765   5.402  -9.738
  307    HA   TYR  40           HA       TYR  40 -12.577   5.734 -10.694
  308    HB2  TYR  40           HB2      TYR  40 -11.415   4.512  -8.220
  309    HB3  TYR  40           HB3      TYR  40 -12.946   5.363  -8.088
  310    HD1  TYR  40           HD1      TYR  40 -14.533   4.795 -10.319
  311    HD2  TYR  40           HD2      TYR  40 -11.726   2.189  -8.362
  312    HE1  TYR  40           HE1      TYR  40 -15.794   2.834 -11.150
  313    HE2  TYR  40           HE2      TYR  40 -12.990   0.215  -9.194
  314    HH   TYR  40           HH       TYR  40 -15.929   0.548 -11.207
  315    H    GLY  41           H        GLY  41  -9.863   7.483  -9.731
  316    HA2  GLY  41           HA2      GLY  41 -11.279   9.911  -9.654
  317    HA3  GLY  41           HA3      GLY  41 -11.082   9.382  -7.975
  318    H    LYS  42           H        LYS  42  -9.994  11.750  -8.745
  319    HA   LYS  42           HA       LYS  42  -7.177  11.430  -9.431
  320    HB2  LYS  42           HB2      LYS  42  -8.285  13.435 -10.176
  321    HB3  LYS  42           HB3      LYS  42  -8.914  13.762  -8.549
  322    HG2  LYS  42           HG2      LYS  42  -7.011  15.235  -9.074
  323    HG3  LYS  42           HG3      LYS  42  -6.668  14.177  -7.701
  324    HD2  LYS  42           HD2      LYS  42  -5.421  12.636  -9.269
  325    HD3  LYS  42           HD3      LYS  42  -5.657  13.851 -10.552
  326    HE2  LYS  42           HE2      LYS  42  -4.520  15.533  -9.129
  327    HE3  LYS  42           HE3      LYS  42  -4.317  14.323  -7.857
  328    HZ1  LYS  42           HZ1      LYS  42  -3.159  14.148 -10.563
  329    HZ2  LYS  42           HZ2      LYS  42  -2.345  14.576  -9.204
  330    HZ3  LYS  42           HZ3      LYS  42  -2.951  13.049  -9.360
  331    H    ILE  43           H        ILE  43  -5.815  10.572  -7.973
  332    HA   ILE  43           HA       ILE  43  -6.320  10.901  -5.093
  333    HB   ILE  43           HB       ILE  43  -4.103   9.479  -6.620
  334   HG12  ILE  43          HG12      ILE  43  -6.629   8.478  -5.238
  335   HG13  ILE  43          HG13      ILE  43  -6.320   8.480  -6.983
  336   HG21  ILE  43          HG21      ILE  43  -4.862   9.409  -3.664
  337   HG22  ILE  43          HG22      ILE  43  -3.564   8.459  -4.433
  338   HG23  ILE  43          HG23      ILE  43  -3.428  10.216  -4.334
  339   HD11  ILE  43          HD11      ILE  43  -6.011   6.242  -6.053
  340   HD12  ILE  43          HD12      ILE  43  -4.461   6.874  -6.654
  341   HD13  ILE  43          HD13      ILE  43  -4.805   6.831  -4.906
  342    H    VAL  44           H        VAL  44  -5.465  12.474  -3.889
  343    HA   VAL  44           HA       VAL  44  -3.169  14.029  -4.989
  344    HB   VAL  44           HB       VAL  44  -4.095  15.933  -3.616
  345   HG11  VAL  44          HG11      VAL  44  -5.880  14.867  -5.838
  346   HG12  VAL  44          HG12      VAL  44  -5.727  16.566  -5.317
  347   HG13  VAL  44          HG13      VAL  44  -4.351  15.743  -6.078
  348   HG21  VAL  44          HG21      VAL  44  -5.602  14.563  -2.167
  349   HG22  VAL  44          HG22      VAL  44  -6.466  15.871  -3.010
  350   HG23  VAL  44          HG23      VAL  44  -6.607  14.202  -3.593
  351    H    GLY  45           H        GLY  45  -3.879  11.696  -2.873
  352    HA2  GLY  45           HA2      GLY  45  -1.466  12.077  -1.332
  353    HA3  GLY  45           HA3      GLY  45  -2.921  12.351  -0.360
  354    H    CYS  46           H        CYS  46  -0.815  10.010  -0.617
  355    HA   CYS  46           HA       CYS  46  -2.827   7.939  -0.159
  356    HB2  CYS  46           HB2      CYS  46  -1.878   6.391  -1.833
  357    HB3  CYS  46           HB3      CYS  46  -2.582   7.830  -2.599
  358    HG   CYS  46           HG       CYS  46  -0.291   9.171  -2.677
  359    H    SER  47           H        SER  47  -2.011   6.128   0.938
  360    HA   SER  47           HA       SER  47   0.855   5.926   1.488
  361    HB2  SER  47           HB2      SER  47   0.578   6.069   3.931
  362    HB3  SER  47           HB3      SER  47   0.129   7.599   3.145
  363    HG   SER  47           HG       SER  47  -1.488   7.151   4.551
  364    H    VAL  48           H        VAL  48   1.363   3.905   2.572
  365    HA   VAL  48           HA       VAL  48  -0.856   1.972   2.798
  366    HB   VAL  48           HB       VAL  48  -0.151   1.707   0.518
  367   HG11  VAL  48          HG11      VAL  48   2.151   1.074  -0.086
  368   HG12  VAL  48          HG12      VAL  48   2.064   2.716   0.581
  369   HG13  VAL  48          HG13      VAL  48   2.678   1.375   1.587
  370   HG21  VAL  48          HG21      VAL  48  -0.634  -0.359   1.819
  371   HG22  VAL  48          HG22      VAL  48   0.547  -0.629   0.517
  372   HG23  VAL  48          HG23      VAL  48   1.099  -0.503   2.200
  373    H    HIS  49           H        HIS  49  -0.512   0.376   4.282
  374    HA   HIS  49           HA       HIS  49   1.972   0.574   5.907
  375    HB2  HIS  49           HB2      HIS  49  -0.825   0.550   7.078
  376    HB3  HIS  49           HB3      HIS  49   0.701   0.895   7.902
  377    HD2  HIS  49           HD3      HIS  49  -1.860   2.456   5.470
  378    HE1  HIS  49           HE1      HIS  49   0.550   5.660   6.875
  379    HE2  HIS  49           HE2      HIS  49  -1.486   5.048   5.481
  380    H    LYS  50           H        LYS  50   1.359  -1.274   7.881
  381    HA   LYS  50           HA       LYS  50   1.020  -3.760   6.359
  382    HB2  LYS  50           HB2      LYS  50   1.580  -3.083   9.259
  383    HB3  LYS  50           HB3      LYS  50   1.118  -4.717   8.782
  384    HG2  LYS  50           HG2      LYS  50   3.532  -3.209   7.701
  385    HG3  LYS  50           HG3      LYS  50   3.547  -4.482   8.931
  386    HD2  LYS  50           HD2      LYS  50   2.388  -5.981   7.161
  387    HD3  LYS  50           HD3      LYS  50   2.820  -4.725   5.988
  388    HE2  LYS  50           HE2      LYS  50   4.530  -6.411   5.948
  389    HE3  LYS  50           HE3      LYS  50   5.217  -4.959   6.697
  390    HZ1  LYS  50           HZ1      LYS  50   4.213  -7.345   8.107
  391    HZ2  LYS  50           HZ2      LYS  50   5.789  -6.925   7.923
  392    HZ3  LYS  50           HZ3      LYS  50   4.797  -5.995   8.849
  393    H    GLY  51           H        GLY  51  -0.761  -4.862   6.061
  394    HA2  GLY  51           HA2      GLY  51  -2.848  -5.758   6.377
  395    HA3  GLY  51           HA3      GLY  51  -2.937  -4.939   7.945
  396    H    PHE  52           H        PHE  52  -2.363  -2.271   6.292
  397    HA   PHE  52           HA       PHE  52  -4.971  -2.030   4.962
  398    HB2  PHE  52           HB2      PHE  52  -5.734  -0.198   6.350
  399    HB3  PHE  52           HB3      PHE  52  -5.490  -1.634   7.333
  400    HD1  PHE  52           HD2      PHE  52  -3.657  -1.743   8.979
  401    HD2  PHE  52           HD1      PHE  52  -4.332   1.767   6.584
  402    HE1  PHE  52           HE2      PHE  52  -2.165  -0.442  10.466
  403    HE2  PHE  52           HE1      PHE  52  -2.841   3.067   8.069
  404    HZ   PHE  52           HZ       PHE  52  -1.739   1.965  10.005
  405    H    ALA  53           H        ALA  53  -5.282   0.229   4.082
  406    HA   ALA  53           HA       ALA  53  -2.860   1.857   3.746
  407    HB1  ALA  53           HB1      ALA  53  -3.010   1.790   1.284
  408    HB2  ALA  53           HB2      ALA  53  -2.687   0.169   1.944
  409    HB3  ALA  53           HB3      ALA  53  -4.325   0.594   1.394
  410    H    PHE  54           H        PHE  54  -3.429   3.874   2.452
  411    HA   PHE  54           HA       PHE  54  -6.303   4.592   2.659
  412    HB2  PHE  54           HB2      PHE  54  -3.966   5.942   4.007
  413    HB3  PHE  54           HB3      PHE  54  -5.341   6.898   3.457
  414    HD1  PHE  54           HD2      PHE  54  -7.618   6.487   4.283
  415    HD2  PHE  54           HD1      PHE  54  -4.175   4.581   6.032
  416    HE1  PHE  54           HE2      PHE  54  -8.956   5.912   6.295
  417    HE2  PHE  54           HE1      PHE  54  -5.524   3.993   8.024
  418    HZ   PHE  54           HZ       PHE  54  -7.911   4.655   8.150
  419    H    VAL  55           H        VAL  55  -7.024   6.118   1.260
  420    HA   VAL  55           HA       VAL  55  -5.117   7.297  -0.685
  421    HB   VAL  55           HB       VAL  55  -7.614   5.693  -1.377
  422   HG11  VAL  55          HG11      VAL  55  -5.820   7.453  -3.097
  423   HG12  VAL  55          HG12      VAL  55  -7.058   6.331  -3.721
  424   HG13  VAL  55          HG13      VAL  55  -7.542   7.724  -2.741
  425   HG21  VAL  55          HG21      VAL  55  -4.674   5.382  -2.134
  426   HG22  VAL  55          HG22      VAL  55  -5.581   4.324  -1.030
  427   HG23  VAL  55          HG23      VAL  55  -6.012   4.387  -2.748
  428    H    GLN  56           H        GLN  56  -5.421   9.410  -0.612
  429    HA   GLN  56           HA       GLN  56  -7.996  10.503   0.364
  430    HB2  GLN  56           HB2      GLN  56  -6.004  11.100   1.605
  431    HB3  GLN  56           HB3      GLN  56  -5.180  11.619   0.126
  432    HG2  GLN  56           HG2      GLN  56  -5.911  13.566   1.337
  433    HG3  GLN  56           HG3      GLN  56  -6.863  13.435  -0.150
  434   HE21  GLN  56          HE21      GLN  56  -9.079  13.079  -0.031
  435   HE22  GLN  56          HE22      GLN  56  -9.968  13.067   1.471
  436    H    TYR  57           H        TYR  57  -9.378  10.965  -1.278
  437    HA   TYR  57           HA       TYR  57  -8.360  11.763  -3.930
  438    HB2  TYR  57           HB2      TYR  57 -11.153  11.262  -2.845
  439    HB3  TYR  57           HB3      TYR  57 -10.813  11.807  -4.478
  440    HD1  TYR  57           HD2      TYR  57  -8.678  10.256  -5.514
  441    HD2  TYR  57           HD1      TYR  57 -11.793   9.064  -2.815
  442    HE1  TYR  57           HE2      TYR  57  -8.563   7.939  -6.416
  443    HE2  TYR  57           HE1      TYR  57 -11.696   6.737  -3.731
  444    HH   TYR  57           HH       TYR  57 -10.702   5.343  -5.187
  445    H    VAL  58           H        VAL  58 -10.027  13.544  -4.912
  446    HA   VAL  58           HA       VAL  58  -9.355  15.970  -3.441
  447    HB   VAL  58           HB       VAL  58 -10.742  15.503  -6.110
  448   HG11  VAL  58          HG11      VAL  58  -9.628  18.064  -4.874
  449   HG12  VAL  58          HG12      VAL  58 -10.192  17.886  -6.548
  450   HG13  VAL  58          HG13      VAL  58 -11.343  17.722  -5.210
  451   HG21  VAL  58          HG21      VAL  58  -8.385  14.745  -6.041
  452   HG22  VAL  58          HG22      VAL  58  -8.566  16.196  -7.049
  453   HG23  VAL  58          HG23      VAL  58  -7.904  16.336  -5.408
  454    H    ASN  59           H        ASN  59 -12.193  13.951  -4.014
  455    HA   ASN  59           HA       ASN  59 -13.803  15.674  -2.241
  456    HB2  ASN  59           HB2      ASN  59 -15.642  15.844  -3.871
  457    HB3  ASN  59           HB3      ASN  59 -14.175  16.651  -4.444
  458   HD21  ASN  59          HD21      ASN  59 -13.786  16.298  -6.556
  459   HD22  ASN  59          HD22      ASN  59 -14.199  14.826  -7.432
  460    H    GLU  60           H        GLU  60 -16.089  14.681  -2.051
  461    HA   GLU  60           HA       GLU  60 -15.775  12.019  -1.006
  462    HB2  GLU  60           HB2      GLU  60 -17.269  13.498   0.092
  463    HB3  GLU  60           HB3      GLU  60 -18.088  13.939  -1.416
  464    HG2  GLU  60           HG2      GLU  60 -19.124  11.781  -1.605
  465    HG3  GLU  60           HG3      GLU  60 -18.151  11.125  -0.282
  466    H    ARG  61           H        ARG  61 -17.168  13.342  -3.997
  467    HA   ARG  61           HA       ARG  61 -18.620  11.075  -4.849
  468    HB2  ARG  61           HB2      ARG  61 -19.102  12.915  -6.096
  469    HB3  ARG  61           HB3      ARG  61 -17.491  13.587  -5.931
  470    HG2  ARG  61           HG2      ARG  61 -17.818  13.176  -8.244
  471    HG3  ARG  61           HG3      ARG  61 -16.635  12.007  -7.658
  472    HD2  ARG  61           HD2      ARG  61 -18.472  10.311  -7.472
  473    HD3  ARG  61           HD3      ARG  61 -19.612  11.509  -8.113
  474    HE   ARG  61           HE       ARG  61 -17.572  11.399  -9.997
  475   HH11  ARG  61          HH11      ARG  61 -19.785   9.054  -8.549
  476   HH12  ARG  61          HH12      ARG  61 -19.815   8.030  -9.963
  477   HH21  ARG  61          HH21      ARG  61 -17.624  10.045 -11.827
  478   HH22  ARG  61          HH22      ARG  61 -18.600   8.594 -11.819
  479    H    ASN  62           H        ASN  62 -15.172  11.900  -5.223
  480    HA   ASN  62           HA       ASN  62 -14.531   9.669  -6.917
  481    HB2  ASN  62           HB2      ASN  62 -12.970  11.576  -5.158
  482    HB3  ASN  62           HB3      ASN  62 -12.173  10.212  -5.965
  483   HD21  ASN  62          HD21      ASN  62 -14.768  12.494  -7.077
  484   HD22  ASN  62          HD22      ASN  62 -13.913  12.944  -8.547
  485    H    ALA  63           H        ALA  63 -14.668  10.122  -3.363
  486    HA   ALA  63           HA       ALA  63 -13.366   7.631  -2.748
  487    HB1  ALA  63           HB1      ALA  63 -14.265   7.990  -0.494
  488    HB2  ALA  63           HB2      ALA  63 -13.530   9.483  -1.132
  489    HB3  ALA  63           HB3      ALA  63 -15.300   9.296  -1.098
  490    H    ARG  64           H        ARG  64 -16.826   8.567  -3.143
  491    HA   ARG  64           HA       ARG  64 -17.863   6.016  -2.385
  492    HB2  ARG  64           HB2      ARG  64 -18.981   8.087  -4.324
  493    HB3  ARG  64           HB3      ARG  64 -19.911   6.785  -3.579
  494    HG2  ARG  64           HG2      ARG  64 -18.554   9.037  -2.034
  495    HG3  ARG  64           HG3      ARG  64 -20.247   9.028  -2.530
  496    HD2  ARG  64           HD2      ARG  64 -20.655   7.005  -1.180
  497    HD3  ARG  64           HD3      ARG  64 -18.943   6.975  -0.706
  498    HE   ARG  64           HE       ARG  64 -19.966   9.541  -0.093
  499   HH11  ARG  64          HH11      ARG  64 -20.449   6.195   0.989
  500   HH12  ARG  64          HH12      ARG  64 -20.839   6.690   2.625
  501   HH21  ARG  64          HH21      ARG  64 -20.542  10.116   1.996
  502   HH22  ARG  64          HH22      ARG  64 -20.925   8.890   3.187
  503    H    ALA  65           H        ALA  65 -16.357   7.212  -5.330
  504    HA   ALA  65           HA       ALA  65 -17.473   5.267  -7.121
  505    HB1  ALA  65           HB1      ALA  65 -14.851   6.805  -7.286
  506    HB2  ALA  65           HB2      ALA  65 -15.704   6.036  -8.635
  507    HB3  ALA  65           HB3      ALA  65 -16.435   7.432  -7.811
  508    H    ALA  66           H        ALA  66 -14.443   5.372  -5.151
  509    HA   ALA  66           HA       ALA  66 -13.728   2.705  -6.200
  510    HB1  ALA  66           HB1      ALA  66 -12.313   4.516  -4.216
  511    HB2  ALA  66           HB2      ALA  66 -11.654   3.036  -4.956
  512    HB3  ALA  66           HB3      ALA  66 -12.028   4.456  -5.973
  513    H    VAL  67           H        VAL  67 -15.093   4.158  -3.266
  514    HA   VAL  67           HA       VAL  67 -14.684   1.842  -1.605
  515    HB   VAL  67           HB       VAL  67 -16.411   4.331  -1.434
  516   HG11  VAL  67          HG11      VAL  67 -16.365   1.962   0.464
  517   HG12  VAL  67          HG12      VAL  67 -16.986   3.586   0.886
  518   HG13  VAL  67          HG13      VAL  67 -17.775   2.632  -0.385
  519   HG21  VAL  67          HG21      VAL  67 -14.148   3.202   0.256
  520   HG22  VAL  67          HG22      VAL  67 -13.958   4.430  -1.018
  521   HG23  VAL  67          HG23      VAL  67 -14.903   4.800   0.440
  522    H    ALA  68           H        ALA  68 -17.002   2.665  -4.090
  523    HA   ALA  68           HA       ALA  68 -18.454   0.136  -3.456
  524    HB1  ALA  68           HB1      ALA  68 -19.312   2.484  -5.186
  525    HB2  ALA  68           HB2      ALA  68 -20.278   1.039  -4.818
  526    HB3  ALA  68           HB3      ALA  68 -19.851   2.174  -3.517
  527    H    GLY  69           H        GLY  69 -16.045   1.404  -5.532
  528    HA2  GLY  69           HA2      GLY  69 -16.829  -0.313  -7.808
  529    HA3  GLY  69           HA3      GLY  69 -15.549   0.908  -7.762
  530    H    GLU  70           H        GLU  70 -14.463  -0.248  -5.147
  531    HA   GLU  70           HA       GLU  70 -13.081  -2.624  -6.362
  532    HB2  GLU  70           HB2      GLU  70 -12.021  -0.377  -4.612
  533    HB3  GLU  70           HB3      GLU  70 -11.102  -1.831  -5.041
  534    HG2  GLU  70           HG2      GLU  70 -12.236   0.116  -7.086
  535    HG3  GLU  70           HG3      GLU  70 -10.594   0.201  -6.444
  536    H    ASP  71           H        ASP  71 -14.976  -1.499  -3.670
  537    HA   ASP  71           HA       ASP  71 -13.792  -3.034  -1.614
  538    HB2  ASP  71           HB2      ASP  71 -15.428  -1.343  -1.119
  539    HB3  ASP  71           HB3      ASP  71 -16.650  -2.155  -2.102
  540    H    GLY  72           H        GLY  72 -13.728  -5.152  -1.132
  541    HA2  GLY  72           HA2      GLY  72 -14.422  -7.344  -1.004
  542    HA3  GLY  72           HA3      GLY  72 -15.779  -6.992  -2.094
  543    H    ARG  73           H        ARG  73 -12.709  -5.879  -3.304
  544    HA   ARG  73           HA       ARG  73 -12.830  -8.032  -5.314
  545    HB2  ARG  73           HB2      ARG  73 -11.605  -6.696  -6.728
  546    HB3  ARG  73           HB3      ARG  73 -12.644  -5.542  -5.868
  547    HG2  ARG  73           HG2      ARG  73 -10.813  -4.749  -4.544
  548    HG3  ARG  73           HG3      ARG  73  -9.787  -6.130  -4.960
  549    HD2  ARG  73           HD2      ARG  73 -10.776  -4.184  -7.060
  550    HD3  ARG  73           HD3      ARG  73  -9.255  -3.966  -6.171
  551    HE   ARG  73           HE       ARG  73  -9.398  -6.618  -7.266
  552   HH11  ARG  73          HH11      ARG  73  -8.840  -3.261  -8.218
  553   HH12  ARG  73          HH12      ARG  73  -7.803  -3.697  -9.559
  554   HH21  ARG  73          HH21      ARG  73  -8.081  -7.156  -9.020
  555   HH22  ARG  73          HH22      ARG  73  -7.399  -5.904 -10.032
  556    H    MET  74           H        MET  74 -10.840  -9.095  -6.056
  557    HA   MET  74           HA       MET  74  -9.047  -9.662  -3.762
  558    HB2  MET  74           HB2      MET  74 -10.074 -11.616  -4.678
  559    HB3  MET  74           HB3      MET  74  -9.584 -11.188  -6.332
  560    HG2  MET  74           HG2      MET  74  -7.316 -11.595  -5.922
  561    HG3  MET  74           HG3      MET  74  -7.499 -11.468  -4.170
  562    HE1  MET  74           HE1      MET  74  -8.166 -13.113  -2.600
  563    HE2  MET  74           HE2      MET  74  -9.800 -13.236  -3.290
  564    HE3  MET  74           HE3      MET  74  -8.874 -14.714  -2.932
  565    H    ILE  75           H        ILE  75  -6.941  -9.302  -3.759
  566    HA   ILE  75           HA       ILE  75  -5.514  -8.478  -6.208
  567    HB   ILE  75           HB       ILE  75  -5.398  -6.913  -3.604
  568   HG12  ILE  75          HG12      ILE  75  -6.715  -6.133  -6.240
  569   HG13  ILE  75          HG13      ILE  75  -7.566  -6.562  -4.740
  570   HG21  ILE  75          HG21      ILE  75  -4.196  -6.307  -6.336
  571   HG22  ILE  75          HG22      ILE  75  -4.015  -5.334  -4.859
  572   HG23  ILE  75          HG23      ILE  75  -3.302  -6.950  -4.942
  573   HD11  ILE  75          HD11      ILE  75  -7.543  -4.172  -4.923
  574   HD12  ILE  75          HD12      ILE  75  -6.467  -4.636  -3.594
  575   HD13  ILE  75          HD13      ILE  75  -5.780  -4.149  -5.165
  576    H    ALA  76           H        ALA  76  -3.451  -9.298  -6.217
  577    HA   ALA  76           HA       ALA  76  -1.785 -10.705  -5.690
  578    HB1  ALA  76           HB1      ALA  76  -1.202  -8.678  -4.365
  579    HB2  ALA  76           HB2      ALA  76  -1.981  -9.428  -2.948
  580    HB3  ALA  76           HB3      ALA  76  -0.550 -10.181  -3.673
  581    H    GLY  77           H        GLY  77  -4.730 -11.577  -4.710
  582    HA2  GLY  77           HA2      GLY  77  -5.145 -13.926  -4.452
  583    HA3  GLY  77           HA3      GLY  77  -3.680 -14.067  -3.467
  584    H    GLN  78           H        GLN  78  -5.176 -11.241  -2.405
  585    HA   GLN  78           HA       GLN  78  -6.997 -12.702  -0.548
  586    HB2  GLN  78           HB2      GLN  78  -5.108 -10.433   0.187
  587    HB3  GLN  78           HB3      GLN  78  -6.360 -11.119   1.223
  588    HG2  GLN  78           HG2      GLN  78  -4.791 -12.476   2.023
  589    HG3  GLN  78           HG3      GLN  78  -4.945 -13.381   0.510
  590   HE21  GLN  78          HE21      GLN  78  -3.506 -12.608  -1.328
  591   HE22  GLN  78          HE22      GLN  78  -1.894 -12.063  -0.906
  592    H    VAL  79           H        VAL  79  -8.729 -11.399   0.300
  593    HA   VAL  79           HA       VAL  79  -9.532  -9.232  -1.575
  594    HB   VAL  79           HB       VAL  79 -11.125 -10.805   0.477
  595   HG11  VAL  79          HG11      VAL  79 -12.036  -8.689  -1.526
  596   HG12  VAL  79          HG12      VAL  79 -13.108  -9.726  -0.563
  597   HG13  VAL  79          HG13      VAL  79 -12.063  -8.544   0.246
  598   HG21  VAL  79          HG21      VAL  79 -10.505 -12.112  -1.530
  599   HG22  VAL  79          HG22      VAL  79 -12.238 -11.736  -1.543
  600   HG23  VAL  79          HG23      VAL  79 -11.121 -10.812  -2.574
  601    H    LEU  80           H        LEU  80 -10.120  -7.228  -0.882
  602    HA   LEU  80           HA       LEU  80  -9.236  -6.489   1.873
  603    HB2  LEU  80           HB2      LEU  80  -8.984  -4.158   0.567
  604    HB3  LEU  80           HB3      LEU  80  -7.673  -5.258   0.916
  605    HG   LEU  80           HG       LEU  80  -7.560  -4.380  -1.338
  606   HD11  LEU  80          HD11      LEU  80  -6.969  -6.333  -2.454
  607   HD12  LEU  80          HD12      LEU  80  -6.760  -6.734  -0.740
  608   HD13  LEU  80          HD13      LEU  80  -8.178  -7.324  -1.648
  609   HD21  LEU  80          HD21      LEU  80 -10.157  -5.854  -1.920
  610   HD22  LEU  80          HD22      LEU  80  -9.141  -4.938  -3.062
  611   HD23  LEU  80          HD23      LEU  80  -9.982  -4.102  -1.732
  612    H    ASP  81           H        ASP  81 -10.437  -5.140   3.055
  613    HA   ASP  81           HA       ASP  81 -13.221  -4.742   2.125
  614    HB2  ASP  81           HB2      ASP  81 -12.802  -5.900   4.284
  615    HB3  ASP  81           HB3      ASP  81 -11.899  -4.498   4.856
  616    H    ILE  82           H        ILE  82 -13.606  -2.834   1.133
  617    HA   ILE  82           HA       ILE  82 -11.947  -0.501   1.950
  618    HB   ILE  82           HB       ILE  82 -13.379  -1.111  -0.644
  619   HG12  ILE  82          HG12      ILE  82 -10.390  -0.854  -0.152
  620   HG13  ILE  82          HG13      ILE  82 -11.226  -2.416  -0.049
  621   HG21  ILE  82          HG21      ILE  82 -11.577   1.224   0.097
  622   HG22  ILE  82          HG22      ILE  82 -12.291   0.914  -1.507
  623   HG23  ILE  82          HG23      ILE  82 -13.338   1.302  -0.135
  624   HD11  ILE  82          HD11      ILE  82 -11.262  -0.622  -2.504
  625   HD12  ILE  82          HD12      ILE  82 -10.258  -2.076  -2.293
  626   HD13  ILE  82          HD13      ILE  82 -12.028  -2.220  -2.324
  627    H    ASN  83           H        ASN  83 -12.921   1.393   2.536
  628    HA   ASN  83           HA       ASN  83 -15.830   1.704   2.382
  629    HB2  ASN  83           HB2      ASN  83 -15.324   0.188   4.371
  630    HB3  ASN  83           HB3      ASN  83 -14.457   1.552   5.094
  631   HD21  ASN  83          HD21      ASN  83 -15.687   3.368   5.891
  632   HD22  ASN  83          HD22      ASN  83 -17.425   3.253   6.060
  633    H    LEU  84           H        LEU  84 -16.470   3.892   3.339
  634    HA   LEU  84           HA       LEU  84 -14.565   5.938   2.709
  635    HB2  LEU  84           HB2      LEU  84 -17.329   5.797   3.490
  636    HB3  LEU  84           HB3      LEU  84 -16.499   6.856   4.629
  637    HG   LEU  84           HG       LEU  84 -15.443   7.950   2.466
  638   HD11  LEU  84          HD11      LEU  84 -16.967   7.861   0.529
  639   HD12  LEU  84          HD12      LEU  84 -16.277   6.265   0.882
  640   HD13  LEU  84          HD13      LEU  84 -17.952   6.630   1.363
  641   HD21  LEU  84          HD21      LEU  84 -17.419   9.459   2.356
  642   HD22  LEU  84          HD22      LEU  84 -16.967   9.065   4.029
  643   HD23  LEU  84          HD23      LEU  84 -18.362   8.259   3.278
  644    H    ALA  85           H        ALA  85 -13.682   7.535   4.360
  645    HA   ALA  85           HA       ALA  85 -12.360   5.972   6.433
  646    HB1  ALA  85           HB1      ALA  85 -12.147   8.898   5.672
  647    HB2  ALA  85           HB2      ALA  85 -11.026   8.009   6.736
  648    HB3  ALA  85           HB3      ALA  85 -11.150   7.576   5.013
  649    H    ALA  86           H        ALA  86 -15.329   7.559   6.396
  650    HA   ALA  86           HA       ALA  86 -15.186   7.995   9.334
  651    HB1  ALA  86           HB1      ALA  86 -16.482  10.069   9.059
  652    HB2  ALA  86           HB2      ALA  86 -14.937  10.150   8.182
  653    HB3  ALA  86           HB3      ALA  86 -16.456   9.861   7.294
  654    H    GLU  87           H        GLU  87 -16.431   5.981   7.220
  655    HA   GLU  87           HA       GLU  87 -19.068   5.927   8.587
  656    HB2  GLU  87           HB2      GLU  87 -18.689   5.615   5.582
  657    HB3  GLU  87           HB3      GLU  87 -20.210   5.418   6.479
  658    HG2  GLU  87           HG2      GLU  87 -19.974   7.809   7.250
  659    HG3  GLU  87           HG3      GLU  87 -18.594   7.972   6.149
  660    HA   PRO  88           HA       PRO  88 -16.827   1.787   8.081
  661    HB2  PRO  88           HB2      PRO  88 -16.317   1.197  10.723
  662    HB3  PRO  88           HB3      PRO  88 -15.205   2.129   9.687
  663    HG2  PRO  88           HG2      PRO  88 -17.280   3.205  11.621
  664    HG3  PRO  88           HG3      PRO  88 -15.551   3.686  11.471
  665    HD2  PRO  88           HD2      PRO  88 -17.518   5.136  10.297
  666    HD3  PRO  88           HD3      PRO  88 -15.959   4.858   9.461
  667    H    LYS  89           H        LYS  89 -17.882  -0.164   8.289
  668    HA   LYS  89           HA       LYS  89 -20.485  -0.166   9.754
  669    HB2  LYS  89           HB2      LYS  89 -19.952  -1.206   6.947
  670    HB3  LYS  89           HB3      LYS  89 -21.487  -1.320   7.829
  671    HG2  LYS  89           HG2      LYS  89 -21.627   1.145   7.934
  672    HG3  LYS  89           HG3      LYS  89 -20.079   1.263   7.061
  673    HD2  LYS  89           HD2      LYS  89 -21.086   0.051   5.136
  674    HD3  LYS  89           HD3      LYS  89 -22.636  -0.009   6.008
  675    HE2  LYS  89           HE2      LYS  89 -22.682   1.868   4.463
  676    HE3  LYS  89           HE3      LYS  89 -22.636   2.480   6.126
  677    HZ1  LYS  89           HZ1      LYS  89 -21.096   3.654   4.691
  678    HZ2  LYS  89           HZ2      LYS  89 -20.274   2.841   5.861
  679    HZ3  LYS  89           HZ3      LYS  89 -20.309   2.259   4.327
  680    H    VAL  90           H        VAL  90 -17.490  -1.508   9.531
  681    HA   VAL  90           HA       VAL  90 -18.438  -4.155  10.504
  682    HB   VAL  90           HB       VAL  90 -17.620  -4.195   8.144
  683   HG11  VAL  90          HG11      VAL  90 -15.211  -4.000   7.712
  684   HG12  VAL  90          HG12      VAL  90 -15.879  -2.465   8.302
  685   HG13  VAL  90          HG13      VAL  90 -14.923  -3.499   9.390
  686   HG21  VAL  90          HG21      VAL  90 -16.213  -6.168   8.407
  687   HG22  VAL  90          HG22      VAL  90 -15.854  -5.740  10.088
  688   HG23  VAL  90          HG23      VAL  90 -17.512  -6.198   9.611
  689    H    ASN  91           H        ASN  91 -16.989  -5.228  11.929
  690    HA   ASN  91           HA       ASN  91 -15.975  -3.451  13.951
  691    HB2  ASN  91           HB2      ASN  91 -15.629  -6.449  13.623
  692    HB3  ASN  91           HB3      ASN  91 -15.495  -5.527  15.129
  693   HD21  ASN  91          HD21      ASN  91 -17.700  -6.774  12.652
  694   HD22  ASN  91          HD22      ASN  91 -19.184  -6.525  13.554
  695    H    ARG  92           H        ARG  92 -14.647  -4.541  11.113
  696    HA   ARG  92           HA       ARG  92 -12.623  -4.988  10.286
  697    HB2  ARG  92           HB2      ARG  92 -11.084  -3.171  10.458
  698    HB3  ARG  92           HB3      ARG  92 -12.768  -2.609  10.385
  699    HG2  ARG  92           HG2      ARG  92 -12.784  -2.165  12.773
  700    HG3  ARG  92           HG3      ARG  92 -11.126  -2.783  12.951
  701    HD2  ARG  92           HD2      ARG  92 -10.223  -0.944  11.705
  702    HD3  ARG  92           HD3      ARG  92 -11.806  -0.532  11.030
  703    HE   ARG  92           HE       ARG  92 -12.548   0.178  13.200
  704   HH11  ARG  92          HH11      ARG  92  -9.039  -0.283  12.900
  705   HH12  ARG  92          HH12      ARG  92  -8.660   0.846  14.175
  706   HH21  ARG  92          HH21      ARG  92 -12.002   1.656  14.877
  707   HH22  ARG  92          HH22      ARG  92 -10.330   1.921  15.306
  708    H    GLY  93           H        GLY  93 -13.128  -6.726  12.370
  709    HA2  GLY  93           HA2      GLY  93 -10.916  -6.896  14.216
  710    HA3  GLY  93           HA3      GLY  93 -12.250  -8.055  14.007
  711    H    LYS  94           H        LYS  94  -9.842  -6.883  11.631
  712    HA   LYS  94           HA       LYS  94  -8.341  -7.934  10.319
  713    HB2  LYS  94           HB2      LYS  94  -8.112  -9.906  12.597
  714    HB3  LYS  94           HB3      LYS  94  -6.901  -9.571  11.342
  715    HG2  LYS  94           HG2      LYS  94  -6.776  -7.203  12.133
  716    HG3  LYS  94           HG3      LYS  94  -7.962  -7.575  13.396
  717    HD2  LYS  94           HD2      LYS  94  -5.217  -8.872  13.108
  718    HD3  LYS  94           HD3      LYS  94  -5.638  -7.597  14.263
  719    HE2  LYS  94           HE2      LYS  94  -7.343  -9.094  15.281
  720    HE3  LYS  94           HE3      LYS  94  -6.899 -10.370  14.137
  721    HZ1  LYS  94           HZ1      LYS  94  -5.093  -9.152  16.116
  722    HZ2  LYS  94           HZ2      LYS  94  -5.797 -10.634  16.249
  723    HZ3  LYS  94           HZ3      LYS  94  -4.692 -10.351  15.066
  724    H    ALA  95           H        ALA  95 -11.285  -9.305  10.937
  725    HA   ALA  95           HA       ALA  95 -11.205 -10.688   8.411
  726    HB1  ALA  95           HB1      ALA  95 -11.780 -12.249  10.980
  727    HB2  ALA  95           HB2      ALA  95 -12.002 -12.866   9.326
  728    HB3  ALA  95           HB3      ALA  95 -10.372 -12.489   9.922
  729    H    GLY  96           H        GLY  96 -13.416 -11.199   7.694
  730    HA2  GLY  96           HA2      GLY  96 -15.358  -9.316   8.743
  731    HA3  GLY  96           HA3      GLY  96 -15.565 -10.433   7.377
  732    H    VAL  97           H        VAL  97 -14.411 -12.253   9.900
  733    HA   VAL  97           HA       VAL  97 -17.022 -13.493  10.322
  734    HB   VAL  97           HB       VAL  97 -14.276 -14.170  11.452
  735   HG11  VAL  97          HG11      VAL  97 -16.814 -15.823  11.142
  736   HG12  VAL  97          HG12      VAL  97 -15.234 -16.453  11.663
  737   HG13  VAL  97          HG13      VAL  97 -16.087 -15.273  12.675
  738   HG21  VAL  97          HG21      VAL  97 -14.159 -15.823   9.604
  739   HG22  VAL  97          HG22      VAL  97 -15.675 -15.171   8.935
  740   HG23  VAL  97          HG23      VAL  97 -14.209 -14.162   9.002
  741    H    LYS  98           H        LYS  98 -14.937 -11.255  12.009
  742    HA   LYS  98           HA       LYS  98 -15.971 -11.845  14.662
  743    HB2  LYS  98           HB2      LYS  98 -14.362  -9.512  13.565
  744    HB3  LYS  98           HB3      LYS  98 -14.705  -9.790  15.287
  745    HG2  LYS  98           HG2      LYS  98 -13.143 -11.675  13.466
  746    HG3  LYS  98           HG3      LYS  98 -12.454 -10.581  14.677
  747    HD2  LYS  98           HD2      LYS  98 -13.701 -11.779  16.466
  748    HD3  LYS  98           HD3      LYS  98 -14.341 -12.910  15.249
  749    HE2  LYS  98           HE2      LYS  98 -12.063 -13.595  14.654
  750    HE3  LYS  98           HE3      LYS  98 -11.393 -12.443  15.821
  751    HZ1  LYS  98           HZ1      LYS  98 -11.505 -14.663  16.724
  752    HZ2  LYS  98           HZ2      LYS  98 -12.502 -13.667  17.568
  753    HZ3  LYS  98           HZ3      LYS  98 -13.125 -14.736  16.487
  754    H    ARG  99           H        ARG  99 -17.237 -10.515  15.973
  755    HA   ARG  99           HA       ARG  99 -18.862  -8.398  14.734
  756    HB2  ARG  99           HB2      ARG  99 -19.772 -11.053  14.704
  757    HB3  ARG  99           HB3      ARG  99 -20.516 -10.388  16.161
  758    HG2  ARG  99           HG2      ARG  99 -22.016 -10.037  14.296
  759    HG3  ARG  99           HG3      ARG  99 -21.353  -8.455  14.750
  760    HD2  ARG  99           HD2      ARG  99 -19.679  -8.647  12.928
  761    HD3  ARG  99           HD3      ARG  99 -20.312 -10.250  12.514
  762    HE   ARG  99           HE       ARG  99 -22.436  -8.339  12.440
  763   HH11  ARG  99          HH11      ARG  99 -19.516  -9.262  10.669
  764   HH12  ARG  99          HH12      ARG  99 -20.109  -8.647   9.143
  765   HH21  ARG  99          HH21      ARG  99 -23.188  -7.563  10.425
  766   HH22  ARG  99          HH22      ARG  99 -22.176  -7.696   9.005
  767    H    SER 100           H        SER 100 -20.491  -7.568  16.505
  768    HA   SER 100           HA       SER 100 -18.963  -6.866  18.828
  769    HB2  SER 100           HB2      SER 100 -21.941  -6.633  18.259
  770    HB3  SER 100           HB3      SER 100 -21.065  -5.799  19.562
  771    HG   SER 100           HG       SER 100 -21.331  -4.511  17.659
  772    H    ALA 101           H        ALA 101 -19.543  -7.372  21.089
  773    HA   ALA 101           HA       ALA 101 -19.772 -10.195  21.399
  774    HB1  ALA 101           HB1      ALA 101 -19.608  -9.690  23.814
  775    HB2  ALA 101           HB2      ALA 101 -18.425  -8.749  22.878
  776    HB3  ALA 101           HB3      ALA 101 -19.912  -7.972  23.474
  777    H    ALA 102           H        ALA 102 -22.205  -8.102  20.680
  778    HA   ALA 102           HA       ALA 102 -24.264  -9.676  22.166
  779    HB1  ALA 102           HB1      ALA 102 -24.342  -6.864  21.030
  780    HB2  ALA 102           HB2      ALA 102 -25.674  -7.667  21.899
  781    HB3  ALA 102           HB3      ALA 102 -24.157  -7.274  22.754
  782    H    GLU 103           H        GLU 103 -22.769  -9.314  19.198
  783    HA   GLU 103           HA       GLU 103 -25.191 -10.188  17.712
  784    HB2  GLU 103           HB2      GLU 103 -22.970  -8.336  16.764
  785    HB3  GLU 103           HB3      GLU 103 -24.281  -8.970  15.750
  786    HG2  GLU 103           HG2      GLU 103 -25.947  -7.887  17.235
  787    HG3  GLU 103           HG3      GLU 103 -24.633  -7.211  18.208
  788    H    MET 104           H        MET 104 -22.599 -11.431  19.042
  789    HA   MET 104           HA       MET 104 -21.051 -12.585  16.942
  790    HB2  MET 104           HB2      MET 104 -21.620 -13.312  19.827
  791    HB3  MET 104           HB3      MET 104 -20.611 -14.355  18.811
  792    HG2  MET 104           HG2      MET 104 -19.891 -11.493  18.674
  793    HG3  MET 104           HG3      MET 104 -19.713 -12.211  20.278
  794    HE1  MET 104           HE1      MET 104 -19.303 -14.254  16.911
  795    HE2  MET 104           HE2      MET 104 -18.788 -12.607  16.463
  796    HE3  MET 104           HE3      MET 104 -17.597 -13.925  16.517
  797    H    TYR 105           H        TYR 105 -24.282 -13.307  18.036
  798    HA   TYR 105           HA       TYR 105 -24.286 -15.714  16.287
  799    HB2  TYR 105           HB2      TYR 105 -25.601 -15.598  19.015
  800    HB3  TYR 105           HB3      TYR 105 -25.453 -16.997  17.951
  801    HD1  TYR 105           HD1      TYR 105 -22.962 -17.710  17.360
  802    HD2  TYR 105           HD2      TYR 105 -24.069 -15.254  20.710
  803    HE1  TYR 105           HE1      TYR 105 -20.796 -18.244  18.464
  804    HE2  TYR 105           HE2      TYR 105 -21.914 -15.797  21.828
  805    HH   TYR 105           HH       TYR 105 -19.476 -17.941  20.304
  806    H    GLY 106           H        GLY 106 -25.746 -12.795  17.284
  807    HA2  GLY 106           HA2      GLY 106 -27.601 -11.681  16.530
  808    HA3  GLY 106           HA3      GLY 106 -27.826 -12.964  15.325
  809    H5'    A   1           H5'        A   1   1.775 -12.859   7.889
  810   H5''    A   1          H5''        A   1   3.113 -12.900   6.727
  811    H4'    A   1           H4'        A   1   3.426 -11.848   9.571
  812    H3'    A   1           H3'        A   1   1.718 -10.571   7.937
  813    H2'    A   1           H2'        A   1   3.008 -10.740   5.953
  814   HO2'    A   1          HO2'        A   1   2.530  -8.511   6.250
  815    H1'    A   1           H1'        A   1   5.471  -9.764   7.311
  816    H8     A   1           H8         A   1   5.540  -9.479   4.465
  817    H61    A   1           H61        A   1   7.656 -14.899   2.304
  818    H62    A   1           H62        A   1   7.375 -13.214   1.907
  819    H2     A   1           H2         A   1   6.350 -15.566   6.412
  820    H5'    U   2           H5'        U   2   1.340  -7.304   8.367
  821   H5''    U   2          H5''        U   2   0.818  -6.726   9.959
  822    H4'    U   2           H4'        U   2  -0.930  -6.122   8.524
  823    H3'    U   2           H3'        U   2  -1.514  -7.859  10.572
  824    H2'    U   2           H2'        U   2  -1.334  -9.786   9.066
  825   HO2'    U   2          HO2'        U   2  -4.035  -8.989   9.382
  826    H1'    U   2           H1'        U   2  -2.993  -8.121   7.152
  827    H3     U   2           H3         U   2  -3.698 -11.966   4.812
  828    H5     U   2           H5         U   2   0.404 -12.099   5.739
  829    H6     U   2           H6         U   2   0.161  -9.984   6.868
  830    H5'    U   3           H5'        U   3  -6.638  -5.935   9.320
  831   H5''    U   3          H5''        U   3  -5.262  -5.650   8.243
  832    H4'    U   3           H4'        U   3  -5.339  -3.287   8.585
  833    H3'    U   3           H3'        U   3  -6.047  -3.691  11.166
  834    H2'    U   3           H2'        U   3  -8.127  -4.724  10.674
  835   HO2'    U   3          HO2'        U   3  -8.301  -2.565  11.935
  836    H1'    U   3           H1'        U   3  -8.727  -2.490   8.725
  837    H3     U   3           H3         U   3 -12.542  -4.262   7.107
  838    H5     U   3           H5         U   3 -10.637  -7.571   8.859
  839    H6     U   3           H6         U   3  -8.749  -6.145   9.362
  840    H5'    U   4           H5'        U   4  -5.956   0.987   9.545
  841   H5''    U   4          H5''        U   4  -5.028   1.377  11.005
  842    H4'    U   4           H4'        U   4  -5.857   3.441  10.176
  843    H3'    U   4           H3'        U   4  -6.765   2.469  12.758
  844    H2'    U   4           H2'        U   4  -9.020   2.578  12.133
  845   HO2'    U   4          HO2'        U   4  -8.255   5.258  12.680
  846    H1'    U   4           H1'        U   4  -8.194   4.804  10.240
  847    H3     U   4           H3         U   4 -12.217   5.718   8.552
  848    H5     U   4           H5         U   4 -12.689   1.756   9.873
  849    H6     U   4           H6         U   4 -10.391   1.794  10.637
  850    H5'    U   5           H5'        U   5  -3.898   3.561  10.334
  851   H5''    U   5          H5''        U   5  -2.520   3.651  11.443
  852    H4'    U   5           H4'        U   5  -1.665   4.391   9.389
  853    H3'    U   5           H3'        U   5  -1.606   6.113  11.516
  854    H2'    U   5           H2'        U   5  -3.543   7.351  10.956
  855   HO2'    U   5          HO2'        U   5  -1.435   8.677  10.658
  856    H1'    U   5           H1'        U   5  -2.819   7.367   8.040
  857    H3     U   5           H3         U   5  -6.775   9.129   6.874
  858    H5     U   5           H5         U   5  -7.734   6.905  10.318
  859    H6     U   5           H6         U   5  -5.413   6.225  10.447
  860    H5'    U   6           H5'        U   6   1.739   5.634   8.486
  861   H5''    U   6          H5''        U   6   3.113   5.916   9.562
  862    H4'    U   6           H4'        U   6   3.776   5.976   7.178
  863    H3'    U   6           H3'        U   6   4.605   7.712   9.148
  864    H2'    U   6           H2'        U   6   3.009   9.412   8.688
  865   HO2'    U   6          HO2'        U   6   5.253   9.914   7.014
  866    H1'    U   6           H1'        U   6   3.350   9.054   5.701
  867    H3     U   6           H3         U   6   0.804  12.844   5.988
  868    H5     U   6           H5         U   6  -1.642   9.708   7.377
  869    H6     U   6           H6         U   6   0.288   8.282   7.392
  870    H5'    C   7           H5'        C   7   8.030   6.347   4.803
  871   H5''    C   7          H5''        C   7   6.773   7.593   4.779
  872    H4'    C   7           H4'        C   7   6.854   6.586   2.594
  873    H3'    C   7           H3'        C   7   4.512   6.795   4.057
  874    H2'    C   7           H2'        C   7   4.560   4.517   4.791
  875   HO2'    C   7          HO2'        C   7   2.983   3.457   3.529
  876    H1'    C   7           H1'        C   7   5.410   3.863   1.948
  877    H41    C   7           H41        C   7   7.144  -1.904   4.074
  878    H42    C   7           H42        C   7   5.962  -1.754   5.365
  879    H5     C   7           H5         C   7   4.716   0.295   5.789
  880    H6     C   7           H6         C   7   4.376   2.573   5.062
  Start of MODEL    7
    1    H1   ALA   2           H        ALA   2   1.837  11.171  -7.022
    2    H2   ALA   2           H2       ALA   2   1.057   9.839  -6.427
    3    HA   ALA   2           HA       ALA   2   0.105  12.606  -6.275
    4    HB1  ALA   2           HB1      ALA   2  -1.096  10.075  -5.083
    5    HB2  ALA   2           HB2      ALA   2  -1.719  11.732  -4.892
    6    HB3  ALA   2           HB3      ALA   2  -1.730  10.960  -6.491
    7    H    SER   3           H        SER   3  -0.242  13.194  -3.869
    8    HA   SER   3           HA       SER   3   2.312  13.153  -2.611
    9    HB2  SER   3           HB2      SER   3  -0.395  13.947  -1.484
   10    HB3  SER   3           HB3      SER   3   1.196  14.413  -0.848
   11    HG   SER   3           HG       SER   3   0.276  16.007  -2.222
   12    H    ASN   4           H        ASN   4   2.300  12.738  -0.077
   13    HA   ASN   4           HA       ASN   4   1.565   9.883   0.225
   14    HB2  ASN   4           HB2      ASN   4   3.513   9.742   1.738
   15    HB3  ASN   4           HB3      ASN   4   3.959  10.271   0.111
   16   HD21  ASN   4          HD21      ASN   4   3.441  11.368   3.476
   17   HD22  ASN   4          HD22      ASN   4   4.391  12.828   3.318
   18    H    VAL   5           H        VAL   5  -0.243  12.192   0.890
   19    HA   VAL   5           HA       VAL   5  -0.299  11.913   3.856
   20    HB   VAL   5           HB       VAL   5  -1.032  14.339   2.179
   21   HG11  VAL   5          HG11      VAL   5  -0.847  13.907   5.189
   22   HG12  VAL   5          HG12      VAL   5  -1.188  15.454   4.384
   23   HG13  VAL   5          HG13      VAL   5  -2.349  14.115   4.253
   24   HG21  VAL   5          HG21      VAL   5   0.986  15.337   3.252
   25   HG22  VAL   5          HG22      VAL   5   1.360  13.747   3.970
   26   HG23  VAL   5          HG23      VAL   5   1.393  13.967   2.203
   27    H    THR   6           H        THR   6  -2.092  11.205   4.734
   28    HA   THR   6           HA       THR   6  -4.648  11.411   3.310
   29    HB   THR   6           HB       THR   6  -5.095   8.998   3.414
   30    HG1  THR   6           HG1      THR   6  -3.706   8.454   5.114
   31   HG21  THR   6          HG21      THR   6  -4.014   9.915   1.349
   32   HG22  THR   6          HG22      THR   6  -2.426   9.450   2.033
   33   HG23  THR   6          HG23      THR   6  -3.641   8.208   1.655
   34    H    ASN   7           H        ASN   7  -3.276  12.151   6.109
   35    HA   ASN   7           HA       ASN   7  -5.384  10.822   7.730
   36    HB2  ASN   7           HB2      ASN   7  -3.969  10.781   9.615
   37    HB3  ASN   7           HB3      ASN   7  -3.083  10.110   8.257
   38   HD21  ASN   7          HD21      ASN   7  -1.336  10.598   9.945
   39   HD22  ASN   7          HD22      ASN   7  -0.580  12.180   9.863
   40    H    LYS   8           H        LYS   8  -5.444  13.567   6.293
   41    HA   LYS   8           HA       LYS   8  -5.677  15.543   8.370
   42    HB2  LYS   8           HB2      LYS   8  -6.749  15.236   5.560
   43    HB3  LYS   8           HB3      LYS   8  -7.361  16.524   6.596
   44    HG2  LYS   8           HG2      LYS   8  -5.587  17.332   5.162
   45    HG3  LYS   8           HG3      LYS   8  -5.139  17.479   6.861
   46    HD2  LYS   8           HD2      LYS   8  -4.275  15.073   5.231
   47    HD3  LYS   8           HD3      LYS   8  -3.408  16.604   5.086
   48    HE2  LYS   8           HE2      LYS   8  -3.834  15.149   7.728
   49    HE3  LYS   8           HE3      LYS   8  -2.373  15.045   6.738
   50    HZ1  LYS   8           HZ1      LYS   8  -2.156  16.671   8.465
   51    HZ2  LYS   8           HZ2      LYS   8  -2.094  17.406   6.994
   52    HZ3  LYS   8           HZ3      LYS   8  -3.450  17.517   7.917
   53    H    THR   9           H        THR   9  -7.856  16.584   8.935
   54    HA   THR   9           HA       THR   9  -9.921  14.483   9.347
   55    HB   THR   9           HB       THR   9 -10.243  15.287  11.669
   56    HG1  THR   9           HG1      THR   9  -8.580  16.540  12.562
   57   HG21  THR   9          HG21      THR   9  -7.422  14.282  11.086
   58   HG22  THR   9          HG22      THR   9  -8.314  14.113  12.613
   59   HG23  THR   9          HG23      THR   9  -8.884  13.271  11.154
   60    H    ASP  10           H        ASP  10  -9.639  16.861   7.493
   61    HA   ASP  10           HA       ASP  10 -11.468  18.869   8.397
   62    HB2  ASP  10           HB2      ASP  10 -10.531  18.031   5.633
   63    HB3  ASP  10           HB3      ASP  10 -11.504  19.466   5.955
   64    HA   PRO  11           HA       PRO  11 -15.354  17.024   7.964
   65    HB2  PRO  11           HB2      PRO  11 -16.946  19.059   7.032
   66    HB3  PRO  11           HB3      PRO  11 -16.238  19.022   8.685
   67    HG2  PRO  11           HG2      PRO  11 -15.163  20.429   6.219
   68    HG3  PRO  11           HG3      PRO  11 -15.411  21.119   7.859
   69    HD2  PRO  11           HD2      PRO  11 -12.984  20.220   7.089
   70    HD3  PRO  11           HD3      PRO  11 -13.580  19.875   8.741
   71    H    ARG  12           H        ARG  12 -13.693  17.967   5.121
   72    HA   ARG  12           HA       ARG  12 -15.639  16.374   3.515
   73    HB2  ARG  12           HB2      ARG  12 -15.200  17.753   1.590
   74    HB3  ARG  12           HB3      ARG  12 -15.763  18.737   2.942
   75    HG2  ARG  12           HG2      ARG  12 -14.053  20.021   2.040
   76    HG3  ARG  12           HG3      ARG  12 -13.256  19.224   3.403
   77    HD2  ARG  12           HD2      ARG  12 -12.266  17.565   1.843
   78    HD3  ARG  12           HD3      ARG  12 -13.160  18.294   0.494
   79    HE   ARG  12           HE       ARG  12 -11.605  20.315   1.752
   80   HH11  ARG  12          HH11      ARG  12 -11.195  17.395  -0.192
   81   HH12  ARG  12          HH12      ARG  12  -9.680  17.926  -0.889
   82   HH21  ARG  12          HH21      ARG  12  -9.626  20.992   0.825
   83   HH22  ARG  12          HH22      ARG  12  -8.802  19.964  -0.321
   84    H    SER  13           H        SER  13 -12.493  16.541   4.765
   85    HA   SER  13           HA       SER  13 -11.371  14.879   2.589
   86    HB2  SER  13           HB2      SER  13 -10.105  15.946   5.135
   87    HB3  SER  13           HB3      SER  13  -9.261  15.090   3.828
   88    HG   SER  13           HG       SER  13  -9.120  17.365   3.611
   89    H    MET  14           H        MET  14 -12.862  14.614   5.725
   90    HA   MET  14           HA       MET  14 -11.886  11.961   6.366
   91    HB2  MET  14           HB2      MET  14 -14.125  13.775   7.306
   92    HB3  MET  14           HB3      MET  14 -14.031  12.107   7.884
   93    HG2  MET  14           HG2      MET  14 -11.487  13.642   7.975
   94    HG3  MET  14           HG3      MET  14 -12.759  14.211   9.056
   95    HE1  MET  14           HE1      MET  14 -12.597  10.374   8.104
   96    HE2  MET  14           HE2      MET  14 -10.898  10.876   7.912
   97    HE3  MET  14           HE3      MET  14 -11.363   9.779   9.229
   98    H    ASN  15           H        ASN  15 -14.255  13.224   4.162
   99    HA   ASN  15           HA       ASN  15 -15.310  10.475   3.798
  100    HB2  ASN  15           HB2      ASN  15 -17.353  11.727   2.807
  101    HB3  ASN  15           HB3      ASN  15 -17.158  11.614   4.561
  102   HD21  ASN  15          HD21      ASN  15 -16.549  13.450   5.774
  103   HD22  ASN  15          HD22      ASN  15 -16.713  15.068   5.116
  104    H    SER  16           H        SER  16 -13.180  12.559   2.497
  105    HA   SER  16           HA       SER  16 -13.732  11.655  -0.288
  106    HB2  SER  16           HB2      SER  16 -13.403  14.061  -0.051
  107    HB3  SER  16           HB3      SER  16 -11.865  13.789   0.809
  108    HG   SER  16           HG       SER  16 -12.442  12.961  -1.841
  109    H    ARG  17           H        ARG  17 -12.597  10.251   2.251
  110    HA   ARG  17           HA       ARG  17  -9.979   9.369   1.118
  111    HB2  ARG  17           HB2      ARG  17  -9.896  10.621   3.189
  112    HB3  ARG  17           HB3      ARG  17 -10.997   9.478   3.972
  113    HG2  ARG  17           HG2      ARG  17  -9.329   7.654   3.675
  114    HG3  ARG  17           HG3      ARG  17  -8.238   8.806   2.853
  115    HD2  ARG  17           HD2      ARG  17  -9.242   8.989   5.715
  116    HD3  ARG  17           HD3      ARG  17  -7.583   8.626   5.193
  117    HE   ARG  17           HE       ARG  17  -7.983  10.990   3.968
  118   HH11  ARG  17          HH11      ARG  17  -8.609  10.045   7.327
  119   HH12  ARG  17          HH12      ARG  17  -8.479  11.695   7.901
  120   HH21  ARG  17          HH21      ARG  17  -7.878  13.059   4.730
  121   HH22  ARG  17          HH22      ARG  17  -8.081  13.395   6.447
  122    H    VAL  18           H        VAL  18  -9.449   7.173   1.226
  123    HA   VAL  18           HA       VAL  18 -11.775   5.317   1.507
  124    HB   VAL  18           HB       VAL  18  -9.341   5.034  -0.291
  125   HG11  VAL  18          HG11      VAL  18 -10.695   3.258  -1.348
  126   HG12  VAL  18          HG12      VAL  18 -10.344   2.917   0.361
  127   HG13  VAL  18          HG13      VAL  18 -11.956   3.503  -0.119
  128   HG21  VAL  18          HG21      VAL  18 -10.893   5.493  -2.164
  129   HG22  VAL  18          HG22      VAL  18 -12.176   5.906  -1.000
  130   HG23  VAL  18          HG23      VAL  18 -10.702   6.908  -1.123
  131    H    PHE  19           H        PHE  19 -11.566   3.851   3.096
  132    HA   PHE  19           HA       PHE  19  -8.867   3.254   4.181
  133    HB2  PHE  19           HB2      PHE  19 -10.605   3.789   5.795
  134    HB3  PHE  19           HB3      PHE  19 -11.683   2.581   5.090
  135    HD1  PHE  19           HD2      PHE  19  -8.051   2.433   6.092
  136    HD2  PHE  19           HD1      PHE  19 -12.029   0.888   6.622
  137    HE1  PHE  19           HE2      PHE  19  -7.179   0.708   7.650
  138    HE2  PHE  19           HE1      PHE  19 -11.155  -0.839   8.166
  139    HZ   PHE  19           HZ       PHE  19  -8.723  -0.940   8.671
  140    H    ILE  20           H        ILE  20  -7.863   1.323   3.707
  141    HA   ILE  20           HA       ILE  20  -9.414  -0.665   2.102
  142    HB   ILE  20           HB       ILE  20  -6.543   0.249   1.691
  143   HG12  ILE  20          HG12      ILE  20  -8.931   0.690  -0.148
  144   HG13  ILE  20          HG13      ILE  20  -8.340   1.906   0.993
  145   HG21  ILE  20          HG21      ILE  20  -6.946  -2.151   1.148
  146   HG22  ILE  20          HG22      ILE  20  -8.288  -1.678   0.085
  147   HG23  ILE  20          HG23      ILE  20  -6.622  -1.209  -0.315
  148   HD11  ILE  20          HD11      ILE  20  -6.708   0.675  -1.259
  149   HD12  ILE  20          HD12      ILE  20  -7.403   2.308  -1.234
  150   HD13  ILE  20          HD13      ILE  20  -6.118   1.873  -0.085
  151    H    GLY  21           H        GLY  21  -9.757  -2.028   3.840
  152    HA2  GLY  21           HA2      GLY  21  -7.492  -2.775   5.569
  153    HA3  GLY  21           HA3      GLY  21  -9.186  -3.185   5.808
  154    H    ASN  22           H        ASN  22  -7.297  -5.060   6.216
  155    HA   ASN  22           HA       ASN  22  -6.649  -7.137   5.796
  156    HB2  ASN  22           HB2      ASN  22  -9.175  -7.315   5.720
  157    HB3  ASN  22           HB3      ASN  22  -9.040  -7.383   3.952
  158   HD21  ASN  22          HD21      ASN  22  -8.745  -9.371   3.041
  159   HD22  ASN  22          HD22      ASN  22  -8.249 -10.807   3.916
  160    H    LEU  23           H        LEU  23  -5.750  -4.968   3.848
  161    HA   LEU  23           HA       LEU  23  -5.534  -6.168   1.250
  162    HB2  LEU  23           HB2      LEU  23  -5.473  -3.755   1.647
  163    HB3  LEU  23           HB3      LEU  23  -4.009  -3.926   2.623
  164    HG   LEU  23           HG       LEU  23  -2.749  -4.672   0.645
  165   HD11  LEU  23          HD11      LEU  23  -5.339  -4.146  -0.879
  166   HD12  LEU  23          HD12      LEU  23  -3.752  -4.503  -1.603
  167   HD13  LEU  23          HD13      LEU  23  -4.584  -5.742  -0.649
  168   HD21  LEU  23          HD21      LEU  23  -4.357  -2.108   0.259
  169   HD22  LEU  23          HD22      LEU  23  -2.856  -2.504  -0.602
  170   HD23  LEU  23          HD23      LEU  23  -2.835  -2.281   1.162
  171    H    ASN  24           H        ASN  24  -3.775  -7.155   0.220
  172    HA   ASN  24           HA       ASN  24  -1.870  -8.566   1.923
  173    HB2  ASN  24           HB2      ASN  24  -2.763  -9.676  -0.050
  174    HB3  ASN  24           HB3      ASN  24  -2.239  -8.340  -1.088
  175   HD21  ASN  24          HD21      ASN  24  -0.039  -8.096  -1.612
  176   HD22  ASN  24          HD22      ASN  24   1.116  -9.398  -1.353
  177    H    THR  25           H        THR  25  -0.541  -7.098   2.940
  178    HA   THR  25           HA       THR  25   0.570  -4.874   1.369
  179    HB   THR  25           HB       THR  25   1.197  -3.992   3.601
  180    HG1  THR  25           HG1      THR  25   1.355  -5.951   4.725
  181   HG21  THR  25          HG21      THR  25  -1.169  -3.570   4.283
  182   HG22  THR  25          HG22      THR  25  -0.970  -3.454   2.519
  183   HG23  THR  25          HG23      THR  25  -1.705  -4.900   3.243
  184    H    LEU  26           H        LEU  26   1.535  -7.954   1.647
  185    HA   LEU  26           HA       LEU  26   4.348  -7.346   2.314
  186    HB2  LEU  26           HB2      LEU  26   3.258  -9.990   1.334
  187    HB3  LEU  26           HB3      LEU  26   4.761  -9.656   2.203
  188    HG   LEU  26           HG       LEU  26   1.933  -9.765   3.246
  189   HD11  LEU  26          HD11      LEU  26   3.345 -11.802   3.163
  190   HD12  LEU  26          HD12      LEU  26   4.613 -10.963   4.086
  191   HD13  LEU  26          HD13      LEU  26   3.059 -11.317   4.851
  192   HD21  LEU  26          HD21      LEU  26   2.676  -8.941   5.414
  193   HD22  LEU  26          HD22      LEU  26   2.881  -7.671   4.210
  194   HD23  LEU  26          HD23      LEU  26   4.302  -8.590   4.760
  195    H    VAL  27           H        VAL  27   2.339  -7.294  -0.456
  196    HA   VAL  27           HA       VAL  27   4.741  -7.376  -2.223
  197    HB   VAL  27           HB       VAL  27   2.057  -8.647  -2.897
  198   HG11  VAL  27          HG11      VAL  27   4.775  -8.700  -4.267
  199   HG12  VAL  27          HG12      VAL  27   3.356  -9.656  -4.760
  200   HG13  VAL  27          HG13      VAL  27   3.307  -7.892  -4.866
  201   HG21  VAL  27          HG21      VAL  27   3.153  -9.981  -1.134
  202   HG22  VAL  27          HG22      VAL  27   3.243 -10.814  -2.693
  203   HG23  VAL  27          HG23      VAL  27   4.673  -9.966  -2.060
  204    H    VAL  28           H        VAL  28   1.668  -5.911  -1.333
  205    HA   VAL  28           HA       VAL  28   1.641  -4.226  -3.724
  206    HB   VAL  28           HB       VAL  28  -0.323  -5.006  -2.095
  207   HG11  VAL  28          HG11      VAL  28   0.365  -2.241  -1.031
  208   HG12  VAL  28          HG12      VAL  28  -0.916  -3.341  -0.464
  209   HG13  VAL  28          HG13      VAL  28   0.791  -3.741  -0.170
  210   HG21  VAL  28          HG21      VAL  28  -0.224  -2.234  -3.336
  211   HG22  VAL  28          HG22      VAL  28  -0.596  -3.744  -4.204
  212   HG23  VAL  28          HG23      VAL  28  -1.683  -3.163  -2.925
  213    H    LYS  29           H        LYS  29   1.963  -1.880  -3.610
  214    HA   LYS  29           HA       LYS  29   3.533  -0.908  -1.306
  215    HB2  LYS  29           HB2      LYS  29   4.988   0.273  -3.205
  216    HB3  LYS  29           HB3      LYS  29   5.422  -1.285  -2.517
  217    HG2  LYS  29           HG2      LYS  29   3.620  -1.353  -4.912
  218    HG3  LYS  29           HG3      LYS  29   5.292  -0.843  -5.173
  219    HD2  LYS  29           HD2      LYS  29   6.198  -2.843  -4.274
  220    HD3  LYS  29           HD3      LYS  29   4.641  -3.359  -3.593
  221    HE2  LYS  29           HE2      LYS  29   3.702  -3.687  -5.776
  222    HE3  LYS  29           HE3      LYS  29   5.137  -2.987  -6.566
  223    HZ1  LYS  29           HZ1      LYS  29   5.182  -5.371  -6.633
  224    HZ2  LYS  29           HZ2      LYS  29   6.408  -4.834  -5.683
  225    HZ3  LYS  29           HZ3      LYS  29   5.050  -5.468  -4.996
  226    H    LYS  30           H        LYS  30   3.953   1.581  -1.694
  227    HA   LYS  30           HA       LYS  30   1.397   2.814  -1.759
  228    HB2  LYS  30           HB2      LYS  30   3.306   3.829  -0.623
  229    HB3  LYS  30           HB3      LYS  30   4.176   4.005  -2.164
  230    HG2  LYS  30           HG2      LYS  30   2.509   5.537  -3.019
  231    HG3  LYS  30           HG3      LYS  30   1.449   5.249  -1.624
  232    HD2  LYS  30           HD2      LYS  30   3.087   6.270  -0.132
  233    HD3  LYS  30           HD3      LYS  30   4.218   6.528  -1.487
  234    HE2  LYS  30           HE2      LYS  30   1.381   7.622  -1.420
  235    HE3  LYS  30           HE3      LYS  30   2.788   8.539  -0.835
  236    HZ1  LYS  30           HZ1      LYS  30   3.736   8.358  -3.035
  237    HZ2  LYS  30           HZ2      LYS  30   2.429   7.523  -3.577
  238    HZ3  LYS  30           HZ3      LYS  30   2.268   9.084  -3.104
  239    H    SER  31           H        SER  31   3.801   2.268  -4.313
  240    HA   SER  31           HA       SER  31   2.544   4.068  -6.199
  241    HB2  SER  31           HB2      SER  31   4.213   3.093  -7.763
  242    HB3  SER  31           HB3      SER  31   4.941   3.659  -6.242
  243    HG   SER  31           HG       SER  31   5.662   1.560  -6.876
  244    H    ASP  32           H        ASP  32   1.764   0.947  -5.059
  245    HA   ASP  32           HA       ASP  32   0.413   0.153  -7.560
  246    HB2  ASP  32           HB2      ASP  32   1.098  -1.135  -4.929
  247    HB3  ASP  32           HB3      ASP  32  -0.295  -1.736  -5.805
  248    H    VAL  33           H        VAL  33  -0.291   1.227  -4.181
  249    HA   VAL  33           HA       VAL  33  -3.128   0.876  -4.478
  250    HB   VAL  33           HB       VAL  33  -1.555   2.642  -2.568
  251   HG11  VAL  33          HG11      VAL  33  -4.408   1.574  -2.451
  252   HG12  VAL  33          HG12      VAL  33  -3.585   2.486  -1.164
  253   HG13  VAL  33          HG13      VAL  33  -3.941   3.268  -2.721
  254   HG21  VAL  33          HG21      VAL  33  -1.880   0.756  -0.983
  255   HG22  VAL  33          HG22      VAL  33  -2.654  -0.191  -2.270
  256   HG23  VAL  33          HG23      VAL  33  -0.935   0.244  -2.394
  257    H    GLU  34           H        GLU  34  -0.908   3.672  -5.042
  258    HA   GLU  34           HA       GLU  34  -3.153   5.346  -5.806
  259    HB2  GLU  34           HB2      GLU  34  -1.538   7.027  -6.334
  260    HB3  GLU  34           HB3      GLU  34  -1.100   6.279  -4.787
  261    HG2  GLU  34           HG2      GLU  34   0.592   4.888  -5.951
  262    HG3  GLU  34           HG3      GLU  34   0.169   5.668  -7.487
  263    H    ALA  35           H        ALA  35  -2.043   2.686  -7.300
  264    HA   ALA  35           HA       ALA  35  -2.500   3.822 -10.023
  265    HB1  ALA  35           HB1      ALA  35  -0.890   1.386  -9.176
  266    HB2  ALA  35           HB2      ALA  35  -1.126   1.962 -10.849
  267    HB3  ALA  35           HB3      ALA  35  -0.219   2.956  -9.684
  268    H    ILE  36           H        ILE  36  -3.816   1.901  -7.549
  269    HA   ILE  36           HA       ILE  36  -5.450   0.286  -9.450
  270    HB   ILE  36           HB       ILE  36  -4.832   0.047  -6.492
  271   HG12  ILE  36          HG12      ILE  36  -4.328  -1.964  -8.718
  272   HG13  ILE  36          HG13      ILE  36  -3.169  -0.674  -8.375
  273   HG21  ILE  36          HG21      ILE  36  -6.656  -1.682  -8.220
  274   HG22  ILE  36          HG22      ILE  36  -6.157  -2.062  -6.559
  275   HG23  ILE  36          HG23      ILE  36  -7.173  -0.647  -6.865
  276   HD11  ILE  36          HD11      ILE  36  -2.492  -2.646  -7.150
  277   HD12  ILE  36          HD12      ILE  36  -3.067  -1.419  -5.996
  278   HD13  ILE  36          HD13      ILE  36  -4.104  -2.805  -6.411
  279    H    PHE  37           H        PHE  37  -5.545   2.991  -7.216
  280    HA   PHE  37           HA       PHE  37  -8.523   2.970  -7.341
  281    HB2  PHE  37           HB2      PHE  37  -6.533   4.173  -5.401
  282    HB3  PHE  37           HB3      PHE  37  -8.245   4.614  -5.418
  283    HD1  PHE  37           HD1      PHE  37  -6.042   1.558  -5.280
  284    HD2  PHE  37           HD2      PHE  37  -9.739   3.427  -4.100
  285    HE1  PHE  37           HE1      PHE  37  -6.617  -0.434  -3.944
  286    HE2  PHE  37           HE2      PHE  37 -10.312   1.427  -2.753
  287    HZ   PHE  37           HZ       PHE  37  -8.737  -0.505  -2.660
  288    H    SER  38           H        SER  38  -5.837   4.421  -8.833
  289    HA   SER  38           HA       SER  38  -6.890   7.100  -9.064
  290    HB2  SER  38           HB2      SER  38  -4.501   6.549  -9.232
  291    HB3  SER  38           HB3      SER  38  -4.813   5.631 -10.720
  292    HG   SER  38           HG       SER  38  -4.121   7.776 -11.128
  293    H    LYS  39           H        LYS  39  -7.882   4.147 -10.484
  294    HA   LYS  39           HA       LYS  39  -8.822   5.394 -12.974
  295    HB2  LYS  39           HB2      LYS  39  -9.602   3.201 -13.578
  296    HB3  LYS  39           HB3      LYS  39  -7.936   3.084 -12.993
  297    HG2  LYS  39           HG2      LYS  39  -8.663   2.204 -10.865
  298    HG3  LYS  39           HG3      LYS  39 -10.368   2.539 -11.243
  299    HD2  LYS  39           HD2      LYS  39 -10.286   0.975 -13.140
  300    HD3  LYS  39           HD3      LYS  39  -8.589   0.590 -12.770
  301    HE2  LYS  39           HE2      LYS  39 -10.909   0.227 -10.836
  302    HE3  LYS  39           HE3      LYS  39 -10.284  -1.060 -11.886
  303    HZ1  LYS  39           HZ1      LYS  39  -8.164  -0.846 -10.814
  304    HZ2  LYS  39           HZ2      LYS  39  -8.701   0.368  -9.850
  305    HZ3  LYS  39           HZ3      LYS  39  -9.324  -1.132  -9.678
  306    H    TYR  40           H        TYR  40  -9.903   5.411  -9.818
  307    HA   TYR  40           HA       TYR  40 -12.757   5.603 -10.673
  308    HB2  TYR  40           HB2      TYR  40 -11.411   4.423  -8.269
  309    HB3  TYR  40           HB3      TYR  40 -12.976   5.204  -8.049
  310    HD1  TYR  40           HD2      TYR  40 -14.871   4.521  -9.717
  311    HD2  TYR  40           HD1      TYR  40 -11.388   2.138  -8.873
  312    HE1  TYR  40           HE2      TYR  40 -16.092   2.485 -10.446
  313    HE2  TYR  40           HE1      TYR  40 -12.599   0.105  -9.618
  314    HH   TYR  40           HH       TYR  40 -14.553  -0.749 -10.442
  315    H    GLY  41           H        GLY  41 -10.085   7.469  -9.795
  316    HA2  GLY  41           HA2      GLY  41 -11.556   9.850  -9.688
  317    HA3  GLY  41           HA3      GLY  41 -11.330   9.328  -8.013
  318    H    LYS  42           H        LYS  42 -10.283  11.724  -8.826
  319    HA   LYS  42           HA       LYS  42  -7.476  11.438  -9.549
  320    HB2  LYS  42           HB2      LYS  42  -8.604  13.450 -10.249
  321    HB3  LYS  42           HB3      LYS  42  -9.222  13.745  -8.611
  322    HG2  LYS  42           HG2      LYS  42  -7.352  15.250  -9.100
  323    HG3  LYS  42           HG3      LYS  42  -6.968  14.159  -7.774
  324    HD2  LYS  42           HD2      LYS  42  -5.718  12.686  -9.401
  325    HD3  LYS  42           HD3      LYS  42  -6.015  13.916 -10.655
  326    HE2  LYS  42           HE2      LYS  42  -4.893  15.613  -9.219
  327    HE3  LYS  42           HE3      LYS  42  -4.618  14.370  -7.982
  328    HZ1  LYS  42           HZ1      LYS  42  -2.686  14.711  -9.372
  329    HZ2  LYS  42           HZ2      LYS  42  -3.262  13.183  -9.554
  330    HZ3  LYS  42           HZ3      LYS  42  -3.535  14.314 -10.720
  331    H    ILE  43           H        ILE  43  -6.070  10.577  -8.132
  332    HA   ILE  43           HA       ILE  43  -6.516  10.881  -5.246
  333    HB   ILE  43           HB       ILE  43  -4.317   9.476  -6.813
  334   HG12  ILE  43          HG12      ILE  43  -6.801   8.463  -5.367
  335   HG13  ILE  43          HG13      ILE  43  -6.538   8.456  -7.123
  336   HG21  ILE  43          HG21      ILE  43  -3.601  10.224  -4.547
  337   HG22  ILE  43          HG22      ILE  43  -5.028   9.427  -3.852
  338   HG23  ILE  43          HG23      ILE  43  -3.743   8.463  -4.631
  339   HD11  ILE  43          HD11      ILE  43  -4.979   6.829  -5.067
  340   HD12  ILE  43          HD12      ILE  43  -6.183   6.238  -6.213
  341   HD13  ILE  43          HD13      ILE  43  -4.639   6.885  -6.817
  342    H    VAL  44           H        VAL  44  -5.624  12.390  -4.012
  343    HA   VAL  44           HA       VAL  44  -3.347  13.980  -5.091
  344    HB   VAL  44           HB       VAL  44  -4.250  15.853  -3.682
  345   HG11  VAL  44          HG11      VAL  44  -6.083  14.831  -5.885
  346   HG12  VAL  44          HG12      VAL  44  -5.917  16.518  -5.338
  347   HG13  VAL  44          HG13      VAL  44  -4.556  15.714  -6.140
  348   HG21  VAL  44          HG21      VAL  44  -5.716  14.450  -2.221
  349   HG22  VAL  44          HG22      VAL  44  -6.614  15.767  -3.009
  350   HG23  VAL  44          HG23      VAL  44  -6.759  14.114  -3.628
  351    H    GLY  45           H        GLY  45  -3.983  11.560  -3.076
  352    HA2  GLY  45           HA2      GLY  45  -1.558  11.930  -1.568
  353    HA3  GLY  45           HA3      GLY  45  -2.984  12.176  -0.552
  354    H    CYS  46           H        CYS  46  -0.895   9.897  -0.750
  355    HA   CYS  46           HA       CYS  46  -2.881   7.729  -0.554
  356    HB2  CYS  46           HB2      CYS  46  -2.215   7.758  -2.934
  357    HB3  CYS  46           HB3      CYS  46  -0.506   7.613  -2.458
  358    HG   CYS  46           HG       CYS  46  -1.381   5.295  -3.311
  359    H    SER  47           H        SER  47  -2.156   6.002   0.746
  360    HA   SER  47           HA       SER  47   0.618   5.972   1.695
  361    HB2  SER  47           HB2      SER  47  -0.531   7.652   3.150
  362    HB3  SER  47           HB3      SER  47  -1.688   6.393   3.637
  363    HG   SER  47           HG       SER  47   0.177   6.676   5.041
  364    H    VAL  48           H        VAL  48   1.090   3.998   2.887
  365    HA   VAL  48           HA       VAL  48  -1.022   1.961   2.976
  366    HB   VAL  48           HB       VAL  48  -0.365   1.695   0.718
  367   HG11  VAL  48          HG11      VAL  48   2.522   1.694   1.673
  368   HG12  VAL  48          HG12      VAL  48   1.970   1.294   0.025
  369   HG13  VAL  48          HG13      VAL  48   1.716   2.928   0.668
  370   HG21  VAL  48          HG21      VAL  48   0.510  -0.555   0.658
  371   HG22  VAL  48          HG22      VAL  48   1.186  -0.394   2.293
  372   HG23  VAL  48          HG23      VAL  48  -0.576  -0.404   2.050
  373    H    HIS  49           H        HIS  49  -0.576   0.242   4.327
  374    HA   HIS  49           HA       HIS  49   1.830   0.487   6.053
  375    HB2  HIS  49           HB2      HIS  49  -1.010   0.287   7.105
  376    HB3  HIS  49           HB3      HIS  49   0.472   0.619   8.017
  377    HD2  HIS  49           HD3      HIS  49  -2.192   2.279   5.839
  378    HE1  HIS  49           HE1      HIS  49   0.372   5.421   7.119
  379    HE2  HIS  49           HE2      HIS  49  -1.818   4.876   5.942
  380    H    LYS  50           H        LYS  50   1.097  -1.454   7.948
  381    HA   LYS  50           HA       LYS  50   0.938  -3.885   6.296
  382    HB2  LYS  50           HB2      LYS  50   1.442  -3.370   9.240
  383    HB3  LYS  50           HB3      LYS  50   1.149  -4.994   8.589
  384    HG2  LYS  50           HG2      LYS  50   3.019  -4.681   6.978
  385    HG3  LYS  50           HG3      LYS  50   3.383  -3.111   7.735
  386    HD2  LYS  50           HD2      LYS  50   3.831  -4.207   9.877
  387    HD3  LYS  50           HD3      LYS  50   3.273  -5.762   9.236
  388    HE2  LYS  50           HE2      LYS  50   5.689  -5.755   9.236
  389    HE3  LYS  50           HE3      LYS  50   5.096  -5.746   7.569
  390    HZ1  LYS  50           HZ1      LYS  50   6.890  -4.184   7.891
  391    HZ2  LYS  50           HZ2      LYS  50   5.514  -3.384   7.496
  392    HZ3  LYS  50           HZ3      LYS  50   6.050  -3.383   9.052
  393    H    GLY  51           H        GLY  51  -0.811  -5.066   5.977
  394    HA2  GLY  51           HA2      GLY  51  -2.870  -6.020   6.257
  395    HA3  GLY  51           HA3      GLY  51  -2.978  -5.281   7.861
  396    H    PHE  52           H        PHE  52  -2.447  -2.548   6.241
  397    HA   PHE  52           HA       PHE  52  -5.021  -2.324   4.864
  398    HB2  PHE  52           HB2      PHE  52  -5.856  -0.518   6.254
  399    HB3  PHE  52           HB3      PHE  52  -5.661  -1.980   7.215
  400    HD1  PHE  52           HD1      PHE  52  -3.810  -2.169   8.878
  401    HD2  PHE  52           HD2      PHE  52  -4.573   1.474   6.708
  402    HE1  PHE  52           HE1      PHE  52  -2.424  -0.919  10.494
  403    HE2  PHE  52           HE2      PHE  52  -3.182   2.721   8.324
  404    HZ   PHE  52           HZ       PHE  52  -2.087   1.527  10.214
  405    H    ALA  53           H        ALA  53  -5.343  -0.067   4.022
  406    HA   ALA  53           HA       ALA  53  -2.923   1.585   3.778
  407    HB1  ALA  53           HB1      ALA  53  -4.330   0.369   1.362
  408    HB2  ALA  53           HB2      ALA  53  -3.004   1.558   1.318
  409    HB3  ALA  53           HB3      ALA  53  -2.718  -0.079   1.958
  410    H    PHE  54           H        PHE  54  -3.498   3.567   2.328
  411    HA   PHE  54           HA       PHE  54  -6.329   4.369   2.653
  412    HB2  PHE  54           HB2      PHE  54  -3.938   5.525   4.055
  413    HB3  PHE  54           HB3      PHE  54  -5.188   6.631   3.481
  414    HD1  PHE  54           HD1      PHE  54  -7.603   6.207   4.111
  415    HD2  PHE  54           HD2      PHE  54  -4.273   4.388   6.142
  416    HE1  PHE  54           HE1      PHE  54  -9.049   5.748   6.072
  417    HE2  PHE  54           HE2      PHE  54  -5.719   3.928   8.096
  418    HZ   PHE  54           HZ       PHE  54  -8.109   4.604   8.058
  419    H    VAL  55           H        VAL  55  -7.031   5.990   1.322
  420    HA   VAL  55           HA       VAL  55  -5.098   7.174  -0.595
  421    HB   VAL  55           HB       VAL  55  -7.709   5.794  -1.334
  422   HG11  VAL  55          HG11      VAL  55  -5.743   7.405  -3.014
  423   HG12  VAL  55          HG12      VAL  55  -7.099   6.448  -3.659
  424   HG13  VAL  55          HG13      VAL  55  -7.428   7.852  -2.639
  425   HG21  VAL  55          HG21      VAL  55  -5.811   4.233  -1.030
  426   HG22  VAL  55          HG22      VAL  55  -6.237   4.384  -2.743
  427   HG23  VAL  55          HG23      VAL  55  -4.813   5.242  -2.104
  428    H    GLN  56           H        GLN  56  -5.579   9.265  -1.139
  429    HA   GLN  56           HA       GLN  56  -7.981  10.469   0.162
  430    HB2  GLN  56           HB2      GLN  56  -5.838  11.012   1.284
  431    HB3  GLN  56           HB3      GLN  56  -5.209  11.646  -0.246
  432    HG2  GLN  56           HG2      GLN  56  -5.939  13.505   1.091
  433    HG3  GLN  56           HG3      GLN  56  -7.095  13.331  -0.235
  434   HE21  GLN  56          HE21      GLN  56  -9.240  12.720   0.227
  435   HE22  GLN  56          HE22      GLN  56  -9.856  12.600   1.869
  436    H    TYR  57           H        TYR  57  -9.401  11.008  -1.343
  437    HA   TYR  57           HA       TYR  57  -8.525  11.705  -4.074
  438    HB2  TYR  57           HB2      TYR  57 -11.227  11.203  -2.788
  439    HB3  TYR  57           HB3      TYR  57 -11.032  11.766  -4.439
  440    HD1  TYR  57           HD2      TYR  57  -8.915  10.257  -5.619
  441    HD2  TYR  57           HD1      TYR  57 -11.837   8.975  -2.748
  442    HE1  TYR  57           HE2      TYR  57  -8.800   7.951  -6.544
  443    HE2  TYR  57           HE1      TYR  57 -11.744   6.658  -3.698
  444    HH   TYR  57           HH       TYR  57 -10.837   5.307  -5.247
  445    H    VAL  58           H        VAL  58 -10.298  13.484  -4.959
  446    HA   VAL  58           HA       VAL  58  -9.540  15.925  -3.515
  447    HB   VAL  58           HB       VAL  58 -10.898  15.439  -6.194
  448   HG11  VAL  58          HG11      VAL  58  -9.928  18.030  -4.916
  449   HG12  VAL  58          HG12      VAL  58 -10.418  17.848  -6.617
  450   HG13  VAL  58          HG13      VAL  58 -11.612  17.619  -5.332
  451   HG21  VAL  58          HG21      VAL  58  -8.102  16.392  -5.450
  452   HG22  VAL  58          HG22      VAL  58  -8.511  14.779  -6.082
  453   HG23  VAL  58          HG23      VAL  58  -8.740  16.209  -7.103
  454    H    ASN  59           H        ASN  59 -12.364  13.888  -4.016
  455    HA   ASN  59           HA       ASN  59 -13.942  15.633  -2.249
  456    HB2  ASN  59           HB2      ASN  59 -15.833  15.764  -3.823
  457    HB3  ASN  59           HB3      ASN  59 -14.389  16.550  -4.469
  458   HD21  ASN  59          HD21      ASN  59 -14.066  16.144  -6.574
  459   HD22  ASN  59          HD22      ASN  59 -14.520  14.664  -7.408
  460    H    GLU  60           H        GLU  60 -16.227  14.609  -1.982
  461    HA   GLU  60           HA       GLU  60 -15.796  11.987  -0.868
  462    HB2  GLU  60           HB2      GLU  60 -17.226  13.476   0.299
  463    HB3  GLU  60           HB3      GLU  60 -18.142  13.887  -1.161
  464    HG2  GLU  60           HG2      GLU  60 -19.190  11.722  -1.233
  465    HG3  GLU  60           HG3      GLU  60 -18.118  11.097   0.023
  466    H    ARG  61           H        ARG  61 -17.262  13.190  -3.837
  467    HA   ARG  61           HA       ARG  61 -18.792  10.893  -4.526
  468    HB2  ARG  61           HB2      ARG  61 -19.375  12.674  -5.793
  469    HB3  ARG  61           HB3      ARG  61 -17.783  13.404  -5.704
  470    HG2  ARG  61           HG2      ARG  61 -18.179  12.960  -7.989
  471    HG3  ARG  61           HG3      ARG  61 -16.943  11.830  -7.442
  472    HD2  ARG  61           HD2      ARG  61 -18.718  10.079  -7.179
  473    HD3  ARG  61           HD3      ARG  61 -19.919  11.242  -7.777
  474    HE   ARG  61           HE       ARG  61 -18.035  11.231  -9.768
  475   HH11  ARG  61          HH11      ARG  61 -19.836   8.659  -8.134
  476   HH12  ARG  61          HH12      ARG  61 -19.827   7.608  -9.530
  477   HH21  ARG  61          HH21      ARG  61 -18.042   9.837 -11.574
  478   HH22  ARG  61          HH22      ARG  61 -18.815   8.272 -11.471
  479    H    ASN  62           H        ASN  62 -15.380  11.752  -5.065
  480    HA   ASN  62           HA       ASN  62 -14.771   9.519  -6.770
  481    HB2  ASN  62           HB2      ASN  62 -13.178  11.472  -5.089
  482    HB3  ASN  62           HB3      ASN  62 -12.387  10.116  -5.909
  483   HD21  ASN  62          HD21      ASN  62 -15.086  12.288  -6.995
  484   HD22  ASN  62          HD22      ASN  62 -14.274  12.757  -8.478
  485    H    ALA  63           H        ALA  63 -14.775   9.976  -3.200
  486    HA   ALA  63           HA       ALA  63 -13.342   7.547  -2.644
  487    HB1  ALA  63           HB1      ALA  63 -15.332   9.073  -0.922
  488    HB2  ALA  63           HB2      ALA  63 -14.214   7.820  -0.363
  489    HB3  ALA  63           HB3      ALA  63 -13.573   9.359  -1.000
  490    H    ARG  64           H        ARG  64 -16.864   8.262  -2.916
  491    HA   ARG  64           HA       ARG  64 -17.576   5.565  -2.142
  492    HB2  ARG  64           HB2      ARG  64 -19.179   7.786  -3.472
  493    HB3  ARG  64           HB3      ARG  64 -19.851   6.275  -2.815
  494    HG2  ARG  64           HG2      ARG  64 -18.881   6.814  -0.595
  495    HG3  ARG  64           HG3      ARG  64 -18.256   8.346  -1.237
  496    HD2  ARG  64           HD2      ARG  64 -20.557   9.040  -1.810
  497    HD3  ARG  64           HD3      ARG  64 -21.189   7.557  -1.073
  498    HE   ARG  64           HE       ARG  64 -20.327   9.958   0.287
  499   HH11  ARG  64          HH11      ARG  64 -20.521   6.433   0.703
  500   HH12  ARG  64          HH12      ARG  64 -20.441   6.562   2.454
  501   HH21  ARG  64          HH21      ARG  64 -20.235  10.029   2.530
  502   HH22  ARG  64          HH22      ARG  64 -20.315   8.539   3.462
  503    H    ALA  65           H        ALA  65 -16.543   7.067  -5.088
  504    HA   ALA  65           HA       ALA  65 -17.672   5.185  -6.936
  505    HB1  ALA  65           HB1      ALA  65 -16.677   7.403  -7.540
  506    HB2  ALA  65           HB2      ALA  65 -15.068   6.757  -7.121
  507    HB3  ALA  65           HB3      ALA  65 -15.983   6.057  -8.473
  508    H    ALA  66           H        ALA  66 -14.570   5.267  -5.085
  509    HA   ALA  66           HA       ALA  66 -13.860   2.635  -6.204
  510    HB1  ALA  66           HB1      ALA  66 -12.397   4.429  -4.237
  511    HB2  ALA  66           HB2      ALA  66 -11.743   2.977  -5.038
  512    HB3  ALA  66           HB3      ALA  66 -12.183   4.406  -6.006
  513    H    VAL  67           H        VAL  67 -15.137   3.998  -3.182
  514    HA   VAL  67           HA       VAL  67 -14.628   1.663  -1.583
  515    HB   VAL  67           HB       VAL  67 -16.438   4.075  -1.303
  516   HG11  VAL  67          HG11      VAL  67 -16.248   1.687   0.559
  517   HG12  VAL  67          HG12      VAL  67 -16.952   3.270   0.986
  518   HG13  VAL  67          HG13      VAL  67 -17.707   2.278  -0.277
  519   HG21  VAL  67          HG21      VAL  67 -13.970   4.245  -0.921
  520   HG22  VAL  67          HG22      VAL  67 -14.938   4.565   0.538
  521   HG23  VAL  67          HG23      VAL  67 -14.116   3.004   0.344
  522    H    ALA  68           H        ALA  68 -16.990   2.416  -4.039
  523    HA   ALA  68           HA       ALA  68 -18.362  -0.154  -3.395
  524    HB1  ALA  68           HB1      ALA  68 -19.335   2.202  -5.048
  525    HB2  ALA  68           HB2      ALA  68 -20.253   0.722  -4.686
  526    HB3  ALA  68           HB3      ALA  68 -19.824   1.846  -3.377
  527    H    GLY  69           H        GLY  69 -16.080   1.285  -5.514
  528    HA2  GLY  69           HA2      GLY  69 -16.833  -0.392  -7.819
  529    HA3  GLY  69           HA3      GLY  69 -15.576   0.851  -7.751
  530    H    GLU  70           H        GLU  70 -14.380  -0.310  -5.228
  531    HA   GLU  70           HA       GLU  70 -13.008  -2.656  -6.508
  532    HB2  GLU  70           HB2      GLU  70 -11.916  -0.438  -4.741
  533    HB3  GLU  70           HB3      GLU  70 -11.005  -1.871  -5.230
  534    HG2  GLU  70           HG2      GLU  70 -12.220   0.116  -7.194
  535    HG3  GLU  70           HG3      GLU  70 -10.560   0.190  -6.604
  536    H    ASP  71           H        ASP  71 -14.916  -1.653  -3.786
  537    HA   ASP  71           HA       ASP  71 -13.671  -3.208  -1.767
  538    HB2  ASP  71           HB2      ASP  71 -15.359  -1.584  -1.216
  539    HB3  ASP  71           HB3      ASP  71 -16.556  -2.409  -2.208
  540    H    GLY  72           H        GLY  72 -13.510  -5.322  -1.396
  541    HA2  GLY  72           HA2      GLY  72 -14.140  -7.549  -1.333
  542    HA3  GLY  72           HA3      GLY  72 -15.508  -7.208  -2.407
  543    H    ARG  73           H        ARG  73 -12.481  -5.944  -3.578
  544    HA   ARG  73           HA       ARG  73 -12.502  -8.036  -5.660
  545    HB2  ARG  73           HB2      ARG  73 -11.346  -6.612  -7.024
  546    HB3  ARG  73           HB3      ARG  73 -12.417  -5.517  -6.125
  547    HG2  ARG  73           HG2      ARG  73 -10.631  -4.668  -4.814
  548    HG3  ARG  73           HG3      ARG  73  -9.554  -6.018  -5.213
  549    HD2  ARG  73           HD2      ARG  73 -10.593  -4.103  -7.317
  550    HD3  ARG  73           HD3      ARG  73  -9.089  -3.822  -6.421
  551    HE   ARG  73           HE       ARG  73  -9.082  -6.479  -7.484
  552   HH11  ARG  73          HH11      ARG  73  -8.800  -3.125  -8.546
  553   HH12  ARG  73          HH12      ARG  73  -7.761  -3.522  -9.902
  554   HH21  ARG  73          HH21      ARG  73  -7.752  -6.970  -9.245
  555   HH22  ARG  73          HH22      ARG  73  -7.189  -5.704 -10.310
  556    H    MET  74           H        MET  74 -10.429  -8.973  -6.428
  557    HA   MET  74           HA       MET  74  -8.688  -9.585  -4.106
  558    HB2  MET  74           HB2      MET  74  -9.632 -11.521  -5.125
  559    HB3  MET  74           HB3      MET  74  -9.126 -11.009  -6.748
  560    HG2  MET  74           HG2      MET  74  -6.842 -11.360  -6.298
  561    HG3  MET  74           HG3      MET  74  -7.080 -11.334  -4.548
  562    HE1  MET  74           HE1      MET  74  -8.383 -14.693  -3.536
  563    HE2  MET  74           HE2      MET  74  -7.670 -13.122  -3.083
  564    HE3  MET  74           HE3      MET  74  -9.295 -13.181  -3.788
  565    H    ILE  75           H        ILE  75  -6.598  -9.140  -4.023
  566    HA   ILE  75           HA       ILE  75  -5.121  -8.236  -6.411
  567    HB   ILE  75           HB       ILE  75  -5.185  -6.687  -3.788
  568   HG12  ILE  75          HG12      ILE  75  -6.262  -5.876  -6.529
  569   HG13  ILE  75          HG13      ILE  75  -7.269  -6.383  -5.159
  570   HG21  ILE  75          HG21      ILE  75  -2.991  -6.662  -4.913
  571   HG22  ILE  75          HG22      ILE  75  -3.764  -6.088  -6.410
  572   HG23  ILE  75          HG23      ILE  75  -3.746  -5.069  -4.949
  573   HD11  ILE  75          HD11      ILE  75  -7.306  -3.994  -5.260
  574   HD12  ILE  75          HD12      ILE  75  -6.385  -4.476  -3.825
  575   HD13  ILE  75          HD13      ILE  75  -5.526  -3.902  -5.265
  576    H    ALA  76           H        ALA  76  -3.084  -9.024  -6.388
  577    HA   ALA  76           HA       ALA  76  -1.377 -10.375  -5.843
  578    HB1  ALA  76           HB1      ALA  76  -0.778  -8.331  -4.651
  579    HB2  ALA  76           HB2      ALA  76  -1.600  -8.930  -3.190
  580    HB3  ALA  76           HB3      ALA  76  -0.165  -9.776  -3.816
  581    H    GLY  77           H        GLY  77  -4.226 -11.403  -4.987
  582    HA2  GLY  77           HA2      GLY  77  -4.452 -13.781  -4.756
  583    HA3  GLY  77           HA3      GLY  77  -3.059 -13.807  -3.670
  584    H    GLN  78           H        GLN  78  -4.820 -11.142  -2.666
  585    HA   GLN  78           HA       GLN  78  -6.719 -12.745  -1.017
  586    HB2  GLN  78           HB2      GLN  78  -4.774 -10.630  -0.046
  587    HB3  GLN  78           HB3      GLN  78  -6.213 -11.122   0.864
  588    HG2  GLN  78           HG2      GLN  78  -5.134 -12.855   1.728
  589    HG3  GLN  78           HG3      GLN  78  -4.851 -13.522   0.111
  590   HE21  GLN  78          HE21      GLN  78  -2.994 -12.547  -1.125
  591   HE22  GLN  78          HE22      GLN  78  -1.546 -12.136  -0.218
  592    H    VAL  79           H        VAL  79  -8.461 -11.488  -0.130
  593    HA   VAL  79           HA       VAL  79  -9.251  -9.284  -1.953
  594    HB   VAL  79           HB       VAL  79 -10.853 -10.937   0.033
  595   HG11  VAL  79          HG11      VAL  79 -11.755  -8.775  -1.913
  596   HG12  VAL  79          HG12      VAL  79 -12.837  -9.865  -1.024
  597   HG13  VAL  79          HG13      VAL  79 -11.839  -8.697  -0.140
  598   HG21  VAL  79          HG21      VAL  79 -10.171 -12.175  -1.997
  599   HG22  VAL  79          HG22      VAL  79 -11.912 -11.835  -2.026
  600   HG23  VAL  79          HG23      VAL  79 -10.807 -10.852  -3.014
  601    H    LEU  80           H        LEU  80  -9.898  -7.308  -1.214
  602    HA   LEU  80           HA       LEU  80  -9.051  -6.614   1.553
  603    HB2  LEU  80           HB2      LEU  80  -8.786  -4.255   0.357
  604    HB3  LEU  80           HB3      LEU  80  -7.476  -5.400   0.555
  605    HG   LEU  80           HG       LEU  80  -7.475  -4.352  -1.630
  606   HD11  LEU  80          HD11      LEU  80  -6.609  -6.696  -1.303
  607   HD12  LEU  80          HD12      LEU  80  -8.114  -7.288  -2.066
  608   HD13  LEU  80          HD13      LEU  80  -7.046  -6.234  -2.966
  609   HD21  LEU  80          HD21      LEU  80  -9.153  -4.746  -3.282
  610   HD22  LEU  80          HD22      LEU  80  -9.944  -4.084  -1.825
  611   HD23  LEU  80          HD23      LEU  80 -10.075  -5.817  -2.197
  612    H    ASP  81           H        ASP  81 -10.247  -5.267   2.731
  613    HA   ASP  81           HA       ASP  81 -13.074  -5.024   1.856
  614    HB2  ASP  81           HB2      ASP  81 -11.709  -5.155   4.565
  615    HB3  ASP  81           HB3      ASP  81 -13.438  -4.837   4.365
  616    H    ILE  82           H        ILE  82 -13.425  -3.084   0.953
  617    HA   ILE  82           HA       ILE  82 -11.871  -0.763   1.924
  618    HB   ILE  82           HB       ILE  82 -13.377  -1.282  -0.653
  619   HG12  ILE  82          HG12      ILE  82 -10.377  -1.019  -0.173
  620   HG13  ILE  82          HG13      ILE  82 -11.204  -2.586  -0.189
  621   HG21  ILE  82          HG21      ILE  82 -11.580   1.047   0.138
  622   HG22  ILE  82          HG22      ILE  82 -12.353   0.811  -1.453
  623   HG23  ILE  82          HG23      ILE  82 -13.351   1.111  -0.027
  624   HD11  ILE  82          HD11      ILE  82 -11.208  -0.614  -2.506
  625   HD12  ILE  82          HD12      ILE  82 -10.224  -2.095  -2.391
  626   HD13  ILE  82          HD13      ILE  82 -11.991  -2.213  -2.466
  627    H    ASN  83           H        ASN  83 -12.876   1.145   2.572
  628    HA   ASN  83           HA       ASN  83 -15.798   1.349   2.590
  629    HB2  ASN  83           HB2      ASN  83 -15.118  -0.177   4.531
  630    HB3  ASN  83           HB3      ASN  83 -14.264   1.209   5.217
  631   HD21  ASN  83          HD21      ASN  83 -15.484   2.805   6.333
  632   HD22  ASN  83          HD22      ASN  83 -17.204   2.636   6.582
  633    H    LEU  84           H        LEU  84 -16.502   3.440   3.572
  634    HA   LEU  84           HA       LEU  84 -14.784   5.629   2.882
  635    HB2  LEU  84           HB2      LEU  84 -17.500   5.197   3.661
  636    HB3  LEU  84           HB3      LEU  84 -16.807   6.303   4.856
  637    HG   LEU  84           HG       LEU  84 -17.904   7.490   3.001
  638   HD11  LEU  84          HD11      LEU  84 -14.885   7.865   3.020
  639   HD12  LEU  84          HD12      LEU  84 -16.106   9.043   2.512
  640   HD13  LEU  84          HD13      LEU  84 -16.032   8.533   4.217
  641   HD21  LEU  84          HD21      LEU  84 -17.001   7.516   0.774
  642   HD22  LEU  84          HD22      LEU  84 -17.370   5.824   1.201
  643   HD23  LEU  84          HD23      LEU  84 -15.691   6.415   1.221
  644    H    ALA  85           H        ALA  85 -13.647   7.097   4.312
  645    HA   ALA  85           HA       ALA  85 -12.382   5.606   6.457
  646    HB1  ALA  85           HB1      ALA  85 -11.972   8.472   5.548
  647    HB2  ALA  85           HB2      ALA  85 -10.877   7.521   6.575
  648    HB3  ALA  85           HB3      ALA  85 -11.133   7.043   4.879
  649    H    ALA  86           H        ALA  86 -15.213   7.387   6.406
  650    HA   ALA  86           HA       ALA  86 -14.916   8.063   9.294
  651    HB1  ALA  86           HB1      ALA  86 -16.554   9.498   7.179
  652    HB2  ALA  86           HB2      ALA  86 -16.446   9.931   8.903
  653    HB3  ALA  86           HB3      ALA  86 -15.002  10.063   7.870
  654    H    GLU  87           H        GLU  87 -16.046   5.668   7.573
  655    HA   GLU  87           HA       GLU  87 -18.612   5.572   9.073
  656    HB2  GLU  87           HB2      GLU  87 -18.129   4.482   6.283
  657    HB3  GLU  87           HB3      GLU  87 -19.603   4.297   7.261
  658    HG2  GLU  87           HG2      GLU  87 -19.692   6.842   7.401
  659    HG3  GLU  87           HG3      GLU  87 -18.392   6.884   6.215
  660    HA   PRO  88           HA       PRO  88 -16.064   1.768  10.076
  661    HB2  PRO  88           HB2      PRO  88 -14.934   2.371  12.458
  662    HB3  PRO  88           HB3      PRO  88 -14.197   2.931  10.922
  663    HG2  PRO  88           HG2      PRO  88 -16.096   4.470  12.740
  664    HG3  PRO  88           HG3      PRO  88 -14.485   4.993  12.129
  665    HD2  PRO  88           HD2      PRO  88 -16.800   5.699  10.872
  666    HD3  PRO  88           HD3      PRO  88 -15.309   5.303   9.954
  667    H    LYS  89           H        LYS  89 -18.880   2.826  10.482
  668    HA   LYS  89           HA       LYS  89 -19.659   2.190  13.193
  669    HB2  LYS  89           HB2      LYS  89 -21.131   2.619  10.577
  670    HB3  LYS  89           HB3      LYS  89 -21.977   2.057  12.026
  671    HG2  LYS  89           HG2      LYS  89 -22.191   4.466  11.837
  672    HG3  LYS  89           HG3      LYS  89 -21.280   4.035  13.281
  673    HD2  LYS  89           HD2      LYS  89 -19.169   4.654  12.191
  674    HD3  LYS  89           HD3      LYS  89 -20.030   4.946  10.653
  675    HE2  LYS  89           HE2      LYS  89 -21.351   6.727  11.738
  676    HE3  LYS  89           HE3      LYS  89 -20.549   6.409  13.277
  677    HZ1  LYS  89           HZ1      LYS  89 -19.571   8.271  12.131
  678    HZ2  LYS  89           HZ2      LYS  89 -18.473   7.061  12.271
  679    HZ3  LYS  89           HZ3      LYS  89 -19.208   7.351  10.824
  680    H    VAL  90           H        VAL  90 -18.597   0.257  10.656
  681    HA   VAL  90           HA       VAL  90 -20.114  -2.148  11.458
  682    HB   VAL  90           HB       VAL  90 -19.735  -1.644   9.086
  683   HG11  VAL  90          HG11      VAL  90 -17.574  -0.484   9.244
  684   HG12  VAL  90          HG12      VAL  90 -16.777  -2.006   9.720
  685   HG13  VAL  90          HG13      VAL  90 -17.485  -1.837   8.101
  686   HG21  VAL  90          HG21      VAL  90 -19.926  -4.008   9.848
  687   HG22  VAL  90          HG22      VAL  90 -18.969  -3.809   8.369
  688   HG23  VAL  90          HG23      VAL  90 -18.140  -4.098   9.904
  689    H    ASN  91           H        ASN  91 -18.829  -4.146  11.888
  690    HA   ASN  91           HA       ASN  91 -17.231  -3.715  14.207
  691    HB2  ASN  91           HB2      ASN  91 -17.402  -6.312  12.668
  692    HB3  ASN  91           HB3      ASN  91 -17.249  -6.061  14.418
  693   HD21  ASN  91          HD21      ASN  91 -19.415  -5.992  11.627
  694   HD22  ASN  91          HD22      ASN  91 -20.916  -5.967  12.535
  695    H    ARG  92           H        ARG  92 -16.297  -3.084  11.204
  696    HA   ARG  92           HA       ARG  92 -14.554  -3.076   9.929
  697    HB2  ARG  92           HB2      ARG  92 -13.855  -1.943  12.236
  698    HB3  ARG  92           HB3      ARG  92 -12.638  -3.237  12.230
  699    HG2  ARG  92           HG2      ARG  92 -12.009  -2.525   9.895
  700    HG3  ARG  92           HG3      ARG  92 -13.199  -1.212  10.020
  701    HD2  ARG  92           HD2      ARG  92 -10.792  -1.608  11.848
  702    HD3  ARG  92           HD3      ARG  92 -10.857  -0.456  10.506
  703    HE   ARG  92           HE       ARG  92 -13.013   0.301  11.981
  704   HH11  ARG  92          HH11      ARG  92  -9.660  -0.407  12.885
  705   HH12  ARG  92          HH12      ARG  92  -9.663   0.723  14.215
  706   HH21  ARG  92          HH21      ARG  92 -12.985   1.754  13.740
  707   HH22  ARG  92          HH22      ARG  92 -11.535   1.947  14.694
  708    H    GLY  93           H        GLY  93 -15.315  -5.818  11.207
  709    HA2  GLY  93           HA2      GLY  93 -14.927  -8.001  10.620
  710    HA3  GLY  93           HA3      GLY  93 -13.871  -7.396   9.330
  711    H    LYS  94           H        LYS  94 -11.730  -6.493  10.221
  712    HA   LYS  94           HA       LYS  94  -9.664  -7.044  10.767
  713    HB2  LYS  94           HB2      LYS  94 -10.816  -8.140  13.328
  714    HB3  LYS  94           HB3      LYS  94  -9.142  -7.612  13.030
  715    HG2  LYS  94           HG2      LYS  94 -10.096  -5.335  12.390
  716    HG3  LYS  94           HG3      LYS  94 -11.648  -5.880  13.047
  717    HD2  LYS  94           HD2      LYS  94  -9.020  -5.733  14.575
  718    HD3  LYS  94           HD3      LYS  94 -10.369  -4.587  14.715
  719    HE2  LYS  94           HE2      LYS  94 -11.843  -6.426  15.490
  720    HE3  LYS  94           HE3      LYS  94 -10.484  -7.559  15.383
  721    HZ1  LYS  94           HZ1      LYS  94 -10.791  -6.727  17.615
  722    HZ2  LYS  94           HZ2      LYS  94  -9.335  -6.250  17.025
  723    HZ3  LYS  94           HZ3      LYS  94 -10.581  -5.177  17.116
  724    H    ALA  95           H        ALA  95  -8.112  -8.507  10.582
  725    HA   ALA  95           HA       ALA  95  -7.130 -10.327   9.755
  726    HB1  ALA  95           HB1      ALA  95  -7.619 -11.093  12.042
  727    HB2  ALA  95           HB2      ALA  95  -9.122 -11.840  11.459
  728    HB3  ALA  95           HB3      ALA  95  -7.547 -12.432  10.870
  729    H    GLY  96           H        GLY  96  -7.257 -12.303   8.424
  730    HA2  GLY  96           HA2      GLY  96  -9.302 -12.015   6.351
  731    HA3  GLY  96           HA3      GLY  96  -7.890 -13.100   6.339
  732    H    VAL  97           H        VAL  97  -9.541 -13.361   9.279
  733    HA   VAL  97           HA       VAL  97 -10.379 -16.069   8.677
  734    HB   VAL  97           HB       VAL  97 -10.828 -14.348  11.154
  735   HG11  VAL  97          HG11      VAL  97 -12.203 -16.378  11.154
  736   HG12  VAL  97          HG12      VAL  97 -10.781 -17.366  10.739
  737   HG13  VAL  97          HG13      VAL  97 -10.872 -16.552  12.316
  738   HG21  VAL  97          HG21      VAL  97  -8.517 -16.202  10.432
  739   HG22  VAL  97          HG22      VAL  97  -8.435 -14.433  10.602
  740   HG23  VAL  97          HG23      VAL  97  -8.768 -15.436  12.020
  741    H    LYS  98           H        LYS  98 -11.908 -12.931   8.751
  742    HA   LYS  98           HA       LYS  98 -14.616 -13.959   9.094
  743    HB2  LYS  98           HB2      LYS  98 -13.573 -11.233   8.252
  744    HB3  LYS  98           HB3      LYS  98 -15.253 -11.596   8.708
  745    HG2  LYS  98           HG2      LYS  98 -12.798 -11.815  10.502
  746    HG3  LYS  98           HG3      LYS  98 -14.029 -10.539  10.547
  747    HD2  LYS  98           HD2      LYS  98 -15.747 -12.185  11.183
  748    HD3  LYS  98           HD3      LYS  98 -14.557 -13.499  11.075
  749    HE2  LYS  98           HE2      LYS  98 -14.797 -12.886  13.388
  750    HE3  LYS  98           HE3      LYS  98 -13.186 -12.415  12.816
  751    HZ1  LYS  98           HZ1      LYS  98 -15.493 -10.597  13.082
  752    HZ2  LYS  98           HZ2      LYS  98 -14.238 -10.695  14.140
  753    HZ3  LYS  98           HZ3      LYS  98 -13.972 -10.168  12.611
  754    H    ARG  99           H        ARG  99 -16.330 -13.575   7.525
  755    HA   ARG  99           HA       ARG  99 -15.409 -14.004   4.710
  756    HB2  ARG  99           HB2      ARG  99 -17.423 -15.443   6.415
  757    HB3  ARG  99           HB3      ARG  99 -17.804 -15.196   4.708
  758    HG2  ARG  99           HG2      ARG  99 -16.731 -17.336   4.918
  759    HG3  ARG  99           HG3      ARG  99 -15.622 -16.229   4.082
  760    HD2  ARG  99           HD2      ARG  99 -14.461 -15.821   6.252
  761    HD3  ARG  99           HD3      ARG  99 -15.533 -16.999   7.029
  762    HE   ARG  99           HE       ARG  99 -14.552 -18.732   5.569
  763   HH11  ARG  99          HH11      ARG  99 -12.792 -15.663   5.830
  764   HH12  ARG  99          HH12      ARG  99 -11.261 -16.376   5.397
  765   HH21  ARG  99          HH21      ARG  99 -12.529 -19.625   4.991
  766   HH22  ARG  99          HH22      ARG  99 -11.114 -18.605   4.925
  767    H    SER 100           H        SER 100 -17.059 -13.478   3.094
  768    HA   SER 100           HA       SER 100 -18.067 -10.786   3.516
  769    HB2  SER 100           HB2      SER 100 -17.091 -11.536   1.366
  770    HB3  SER 100           HB3      SER 100 -18.387 -12.736   1.204
  771    HG   SER 100           HG       SER 100 -18.633  -9.911   1.233
  772    H    ALA 101           H        ALA 101 -20.303 -10.127   3.321
  773    HA   ALA 101           HA       ALA 101 -22.095 -11.841   4.757
  774    HB1  ALA 101           HB1      ALA 101 -22.623  -9.292   3.177
  775    HB2  ALA 101           HB2      ALA 101 -23.721 -10.025   4.371
  776    HB3  ALA 101           HB3      ALA 101 -22.148  -9.382   4.893
  777    H    ALA 102           H        ALA 102 -21.135 -11.924   1.524
  778    HA   ALA 102           HA       ALA 102 -23.700 -13.125   0.617
  779    HB1  ALA 102           HB1      ALA 102 -21.255 -12.188  -0.915
  780    HB2  ALA 102           HB2      ALA 102 -22.758 -12.816  -1.634
  781    HB3  ALA 102           HB3      ALA 102 -22.777 -11.276  -0.733
  782    H    GLU 103           H        GLU 103 -20.740 -14.007   1.954
  783    HA   GLU 103           HA       GLU 103 -20.819 -16.680   0.635
  784    HB2  GLU 103           HB2      GLU 103 -18.385 -15.142   1.623
  785    HB3  GLU 103           HB3      GLU 103 -18.377 -16.789   0.969
  786    HG2  GLU 103           HG2      GLU 103 -19.302 -15.930  -1.175
  787    HG3  GLU 103           HG3      GLU 103 -19.220 -14.280  -0.534
  788    H    MET 104           H        MET 104 -21.754 -15.218   3.343
  789    HA   MET 104           HA       MET 104 -20.450 -16.802   5.376
  790    HB2  MET 104           HB2      MET 104 -22.763 -14.892   5.240
  791    HB3  MET 104           HB3      MET 104 -22.697 -15.997   6.622
  792    HG2  MET 104           HG2      MET 104 -20.404 -14.206   5.777
  793    HG3  MET 104           HG3      MET 104 -21.583 -13.830   7.046
  794    HE1  MET 104           HE1      MET 104 -18.444 -14.453   9.154
  795    HE2  MET 104           HE2      MET 104 -18.575 -13.662   7.560
  796    HE3  MET 104           HE3      MET 104 -19.830 -13.394   8.797
  797    H    TYR 105           H        TYR 105 -20.962 -18.716   6.240
  798    HA   TYR 105           HA       TYR 105 -21.734 -20.801   6.388
  799    HB2  TYR 105           HB2      TYR 105 -24.267 -19.191   6.296
  800    HB3  TYR 105           HB3      TYR 105 -24.265 -20.937   6.630
  801    HD1  TYR 105           HD2      TYR 105 -22.581 -17.777   7.763
  802    HD2  TYR 105           HD1      TYR 105 -24.110 -21.639   8.847
  803    HE1  TYR 105           HE2      TYR 105 -22.089 -17.291  10.151
  804    HE2  TYR 105           HE1      TYR 105 -23.632 -21.171  11.239
  805    HH   TYR 105           HH       TYR 105 -22.815 -19.655  12.750
  806    H    GLY 106           H        GLY 106 -21.650 -19.482   3.536
  807    HA2  GLY 106           HA2      GLY 106 -21.960 -21.930   2.097
  808    HA3  GLY 106           HA3      GLY 106 -23.384 -20.911   1.825
  809    H5'    A   1           H5'        A   1   2.407 -12.610   8.444
  810   H5''    A   1          H5''        A   1   3.888 -12.151   7.571
  811    H4'    A   1           H4'        A   1   3.338 -11.489  10.504
  812    H3'    A   1           H3'        A   1   1.874 -10.327   8.563
  813    H2'    A   1           H2'        A   1   3.621 -10.041   6.986
  814   HO2'    A   1          HO2'        A   1   3.425  -7.680   8.554
  815    H1'    A   1           H1'        A   1   5.509  -8.859   8.956
  816    H8     A   1           H8         A   1   6.020  -8.449   6.096
  817    H61    A   1           H61        A   1   9.654 -13.226   4.541
  818    H62    A   1           H62        A   1   9.081 -11.638   4.056
  819    H2     A   1           H2         A   1   7.707 -14.264   8.306
  820    H5'    U   2           H5'        U   2   0.646  -6.916   9.507
  821   H5''    U   2          H5''        U   2  -0.256  -6.927  11.035
  822    H4'    U   2           H4'        U   2  -1.852  -6.241   9.455
  823    H3'    U   2           H3'        U   2  -2.288  -8.638  10.781
  824    H2'    U   2           H2'        U   2  -1.428  -9.947   8.948
  825   HO2'    U   2          HO2'        U   2  -3.558 -10.700   9.472
  826    H1'    U   2           H1'        U   2  -3.048  -8.155   7.132
  827    H3     U   2           H3         U   2  -2.112 -10.898   3.644
  828    H5     U   2           H5         U   2   1.429 -10.983   5.916
  829    H6     U   2           H6         U   2   0.402  -9.456   7.478
  830    H5'    U   3           H5'        U   3  -6.781  -6.036   9.734
  831   H5''    U   3          H5''        U   3  -5.739  -5.976   8.293
  832    H4'    U   3           H4'        U   3  -5.615  -3.447   8.651
  833    H3'    U   3           H3'        U   3  -6.634  -3.898  11.115
  834    H2'    U   3           H2'        U   3  -8.534  -5.087  10.289
  835   HO2'    U   3          HO2'        U   3  -9.066  -2.824  11.463
  836    H1'    U   3           H1'        U   3  -9.047  -2.849   8.328
  837    H3     U   3           H3         U   3 -12.730  -4.888   6.721
  838    H5     U   3           H5         U   3 -10.371  -8.115   7.999
  839    H6     U   3           H6         U   3  -8.644  -6.517   8.643
  840    H5'    U   4           H5'        U   4  -5.989   0.638   9.647
  841   H5''    U   4          H5''        U   4  -5.301   0.848  11.265
  842    H4'    U   4           H4'        U   4  -5.615   3.027  10.234
  843    H3'    U   4           H3'        U   4  -6.704   2.334  12.785
  844    H2'    U   4           H2'        U   4  -8.929   2.491  12.046
  845   HO2'    U   4          HO2'        U   4  -8.621   4.212  13.588
  846    H1'    U   4           H1'        U   4  -8.003   4.712  10.201
  847    H3     U   4           H3         U   4 -12.168   5.612   8.711
  848    H5     U   4           H5         U   4 -12.322   1.481   9.462
  849    H6     U   4           H6         U   4 -10.029   1.597  10.250
  850    H5'    U   5           H5'        U   5  -3.633   3.253  10.586
  851   H5''    U   5          H5''        U   5  -2.260   3.450  11.688
  852    H4'    U   5           H4'        U   5  -1.457   4.076   9.555
  853    H3'    U   5           H3'        U   5  -1.385   5.921  11.598
  854    H2'    U   5           H2'        U   5  -3.316   7.120  10.976
  855   HO2'    U   5          HO2'        U   5  -1.159   8.391  10.484
  856    H1'    U   5           H1'        U   5  -2.581   6.897   8.062
  857    H3     U   5           H3         U   5  -6.424   8.757   6.744
  858    H5     U   5           H5         U   5  -7.521   6.868  10.344
  859    H6     U   5           H6         U   5  -5.230   6.083  10.548
  860    H5'    U   6           H5'        U   6   1.794   5.217   8.537
  861   H5''    U   6          H5''        U   6   3.243   5.537   9.494
  862    H4'    U   6           H4'        U   6   3.718   5.314   7.077
  863    H3'    U   6           H3'        U   6   4.845   7.166   8.766
  864    H2'    U   6           H2'        U   6   3.373   8.942   8.240
  865   HO2'    U   6          HO2'        U   6   4.468  10.257   6.632
  866    H1'    U   6           H1'        U   6   3.369   8.279   5.300
  867    H3     U   6           H3         U   6   1.057  12.243   5.561
  868    H5     U   6           H5         U   6  -1.413   9.336   7.320
  869    H6     U   6           H6         U   6   0.458   7.820   7.300
  870    H5'    C   7           H5'        C   7   8.062   8.199   7.222
  871   H5''    C   7          H5''        C   7   9.238   6.895   6.995
  872    H4'    C   7           H4'        C   7  10.221   8.593   8.403
  873    H3'    C   7           H3'        C   7   9.579   5.941   9.627
  874    H2'    C   7           H2'        C   7  10.077   6.690  11.865
  875   HO2'    C   7          HO2'        C   7  11.919   7.988  11.216
  876    H1'    C   7           H1'        C   7   8.679   8.963  11.781
  877    H41    C   7           H41        C   7   3.260   5.588  11.704
  878    H42    C   7           H42        C   7   4.213   4.149  12.018
  879    H5     C   7           H5         C   7   6.657   4.147  11.927
  880    H6     C   7           H6         C   7   8.605   5.497  11.565
  Start of MODEL    8
    1    H1   ALA   2           H        ALA   2   2.103  10.380  -6.704
    2    H2   ALA   2           H2       ALA   2   1.054   9.293  -6.030
    3    HA   ALA   2           HA       ALA   2   0.601  12.177  -6.311
    4    HB1  ALA   2           HB1      ALA   2  -1.480  10.867  -6.514
    5    HB2  ALA   2           HB2      ALA   2  -1.125  10.058  -4.968
    6    HB3  ALA   2           HB3      ALA   2  -1.448  11.808  -5.016
    7    H    SER   3           H        SER   3   0.053  13.017  -3.956
    8    HA   SER   3           HA       SER   3   2.465  12.931  -2.479
    9    HB2  SER   3           HB2      SER   3  -0.305  13.832  -1.608
   10    HB3  SER   3           HB3      SER   3   1.234  14.287  -0.847
   11    HG   SER   3           HG       SER   3   0.472  15.852  -2.367
   12    H    ASN   4           H        ASN   4   2.281  12.588   0.074
   13    HA   ASN   4           HA       ASN   4   1.501   9.746   0.336
   14    HB2  ASN   4           HB2      ASN   4   3.299   9.542   1.959
   15    HB3  ASN   4           HB3      ASN   4   3.900  10.162   0.422
   16   HD21  ASN   4          HD21      ASN   4   5.558  10.508   2.472
   17   HD22  ASN   4          HD22      ASN   4   5.553  12.163   3.048
   18    H    VAL   5           H        VAL   5  -0.325  12.137   0.908
   19    HA   VAL   5           HA       VAL   5  -0.606  11.764   3.851
   20    HB   VAL   5           HB       VAL   5  -1.384  14.180   2.183
   21   HG11  VAL   5          HG11      VAL   5  -1.213  13.780   5.199
   22   HG12  VAL   5          HG12      VAL   5  -1.654  15.280   4.363
   23   HG13  VAL   5          HG13      VAL   5  -2.720  13.860   4.258
   24   HG21  VAL   5          HG21      VAL   5   1.047  13.969   2.236
   25   HG22  VAL   5          HG22      VAL   5   0.543  15.271   3.333
   26   HG23  VAL   5          HG23      VAL   5   1.012  13.689   3.999
   27    H    THR   6           H        THR   6  -2.453  11.032   4.615
   28    HA   THR   6           HA       THR   6  -4.926  11.162   2.994
   29    HB   THR   6           HB       THR   6  -5.372   8.771   3.341
   30    HG1  THR   6           HG1      THR   6  -3.961   8.420   5.106
   31   HG21  THR   6          HG21      THR   6  -3.855   7.880   1.664
   32   HG22  THR   6          HG22      THR   6  -4.283   9.546   1.217
   33   HG23  THR   6          HG23      THR   6  -2.692   9.192   1.943
   34    H    ASN   7           H        ASN   7  -3.498  11.837   5.883
   35    HA   ASN   7           HA       ASN   7  -5.783  10.886   7.496
   36    HB2  ASN   7           HB2      ASN   7  -3.423  10.456   8.199
   37    HB3  ASN   7           HB3      ASN   7  -3.227  12.189   8.476
   38   HD21  ASN   7          HD21      ASN   7  -2.732  10.791  10.608
   39   HD22  ASN   7          HD22      ASN   7  -4.065  10.752  11.744
   40    H    LYS   8           H        LYS   8  -4.613  13.544   9.054
   41    HA   LYS   8           HA       LYS   8  -5.654  15.450   9.695
   42    HB2  LYS   8           HB2      LYS   8  -6.145  15.611   6.719
   43    HB3  LYS   8           HB3      LYS   8  -6.743  16.840   7.833
   44    HG2  LYS   8           HG2      LYS   8  -4.697  17.599   6.893
   45    HG3  LYS   8           HG3      LYS   8  -4.420  17.282   8.604
   46    HD2  LYS   8           HD2      LYS   8  -3.847  15.075   6.645
   47    HD3  LYS   8           HD3      LYS   8  -2.757  16.470   6.639
   48    HE2  LYS   8           HE2      LYS   8  -3.433  14.864   9.135
   49    HE3  LYS   8           HE3      LYS   8  -1.994  14.601   8.132
   50    HZ1  LYS   8           HZ1      LYS   8  -2.670  17.103   9.529
   51    HZ2  LYS   8           HZ2      LYS   8  -1.529  16.018   9.997
   52    HZ3  LYS   8           HZ3      LYS   8  -1.340  16.858   8.593
   53    H    THR   9           H        THR   9  -7.939  16.640   9.644
   54    HA   THR   9           HA       THR   9 -10.037  14.544   9.658
   55    HB   THR   9           HB       THR   9 -10.712  15.235  11.959
   56    HG1  THR   9           HG1      THR   9  -9.152  16.357  13.167
   57   HG21  THR   9          HG21      THR   9  -7.867  14.159  11.746
   58   HG22  THR   9          HG22      THR   9  -8.990  13.939  13.115
   59   HG23  THR   9          HG23      THR   9  -9.343  13.198  11.540
   60    H    ASP  10           H        ASP  10  -9.583  16.906   7.925
   61    HA   ASP  10           HA       ASP  10 -11.366  18.991   8.713
   62    HB2  ASP  10           HB2      ASP  10 -10.387  18.104   5.973
   63    HB3  ASP  10           HB3      ASP  10 -11.267  19.596   6.284
   64    HA   PRO  11           HA       PRO  11 -15.293  17.293   8.224
   65    HB2  PRO  11           HB2      PRO  11 -16.798  19.377   7.266
   66    HB3  PRO  11           HB3      PRO  11 -16.111  19.329   8.925
   67    HG2  PRO  11           HG2      PRO  11 -14.953  20.678   6.462
   68    HG3  PRO  11           HG3      PRO  11 -15.191  21.382   8.101
   69    HD2  PRO  11           HD2      PRO  11 -12.795  20.397   7.361
   70    HD3  PRO  11           HD3      PRO  11 -13.423  20.078   9.007
   71    H    ARG  12           H        ARG  12 -13.619  18.241   5.362
   72    HA   ARG  12           HA       ARG  12 -15.578  16.637   3.785
   73    HB2  ARG  12           HB2      ARG  12 -15.165  17.993   1.840
   74    HB3  ARG  12           HB3      ARG  12 -15.699  19.006   3.185
   75    HG2  ARG  12           HG2      ARG  12 -13.982  20.263   2.270
   76    HG3  ARG  12           HG3      ARG  12 -13.148  19.436   3.592
   77    HD2  ARG  12           HD2      ARG  12 -12.258  17.772   1.971
   78    HD3  ARG  12           HD3      ARG  12 -13.190  18.545   0.675
   79    HE   ARG  12           HE       ARG  12 -11.395  20.367   2.072
   80   HH11  ARG  12          HH11      ARG  12 -11.650  17.993  -0.532
   81   HH12  ARG  12          HH12      ARG  12 -10.302  18.650  -1.425
   82   HH21  ARG  12          HH21      ARG  12  -9.618  21.194   0.900
   83   HH22  ARG  12          HH22      ARG  12  -9.140  20.445  -0.605
   84    H    SER  13           H        SER  13 -12.467  16.768   5.048
   85    HA   SER  13           HA       SER  13 -11.264  15.168   2.888
   86    HB2  SER  13           HB2      SER  13  -9.922  16.857   4.054
   87    HB3  SER  13           HB3      SER  13 -10.189  16.011   5.603
   88    HG   SER  13           HG       SER  13  -8.194  15.491   4.472
   89    H    MET  14           H        MET  14 -12.799  14.807   6.046
   90    HA   MET  14           HA       MET  14 -12.007  12.110   6.598
   91    HB2  MET  14           HB2      MET  14 -14.225  13.972   7.476
   92    HB3  MET  14           HB3      MET  14 -14.215  12.285   8.015
   93    HG2  MET  14           HG2      MET  14 -11.605  13.657   8.263
   94    HG3  MET  14           HG3      MET  14 -12.892  14.348   9.249
   95    HE1  MET  14           HE1      MET  14 -11.870   9.812   9.556
   96    HE2  MET  14           HE2      MET  14 -13.039  10.470   8.398
   97    HE3  MET  14           HE3      MET  14 -11.314  10.847   8.220
   98    H    ASN  15           H        ASN  15 -14.045  13.412   4.175
   99    HA   ASN  15           HA       ASN  15 -15.216  10.727   3.759
  100    HB2  ASN  15           HB2      ASN  15 -17.243  12.013   2.805
  101    HB3  ASN  15           HB3      ASN  15 -17.056  11.889   4.560
  102   HD21  ASN  15          HD21      ASN  15 -16.537  13.703   5.795
  103   HD22  ASN  15          HD22      ASN  15 -16.638  15.326   5.147
  104    H    SER  16           H        SER  16 -12.918  12.624   2.581
  105    HA   SER  16           HA       SER  16 -13.630  11.982  -0.240
  106    HB2  SER  16           HB2      SER  16 -12.148  13.739  -0.940
  107    HB3  SER  16           HB3      SER  16 -13.288  14.407   0.255
  108    HG   SER  16           HG       SER  16 -11.117  15.008   0.656
  109    H    ARG  17           H        ARG  17 -11.991  10.736   2.318
  110    HA   ARG  17           HA       ARG  17  -9.815   9.658   0.594
  111    HB2  ARG  17           HB2      ARG  17  -8.516   9.310   2.518
  112    HB3  ARG  17           HB3      ARG  17  -9.266  10.901   2.750
  113    HG2  ARG  17           HG2      ARG  17 -11.076   9.728   4.090
  114    HG3  ARG  17           HG3      ARG  17 -10.098   8.233   3.938
  115    HD2  ARG  17           HD2      ARG  17  -9.677   9.312   6.090
  116    HD3  ARG  17           HD3      ARG  17  -8.225   9.339   5.072
  117    HE   ARG  17           HE       ARG  17  -9.239  11.721   4.442
  118   HH11  ARG  17          HH11      ARG  17  -8.902  10.228   7.646
  119   HH12  ARG  17          HH12      ARG  17  -8.835  11.775   8.458
  120   HH21  ARG  17          HH21      ARG  17  -9.305  13.683   5.567
  121   HH22  ARG  17          HH22      ARG  17  -9.101  13.697   7.312
  122    H    VAL  18           H        VAL  18  -9.242   7.324   1.200
  123    HA   VAL  18           HA       VAL  18 -11.761   5.720   1.483
  124    HB   VAL  18           HB       VAL  18  -9.396   5.186  -0.355
  125   HG11  VAL  18          HG11      VAL  18 -12.111   3.853  -0.069
  126   HG12  VAL  18          HG12      VAL  18 -10.906   3.480  -1.326
  127   HG13  VAL  18          HG13      VAL  18 -10.538   3.162   0.386
  128   HG21  VAL  18          HG21      VAL  18 -10.957   5.692  -2.201
  129   HG22  VAL  18          HG22      VAL  18 -12.173   6.247  -1.025
  130   HG23  VAL  18          HG23      VAL  18 -10.637   7.126  -1.209
  131    H    PHE  19           H        PHE  19 -11.669   4.145   3.007
  132    HA   PHE  19           HA       PHE  19  -9.038   3.440   4.162
  133    HB2  PHE  19           HB2      PHE  19 -10.874   3.950   5.707
  134    HB3  PHE  19           HB3      PHE  19 -11.899   2.757   4.912
  135    HD1  PHE  19           HD1      PHE  19  -8.294   2.472   5.989
  136    HD2  PHE  19           HD2      PHE  19 -12.352   1.159   6.525
  137    HE1  PHE  19           HE1      PHE  19  -7.523   0.722   7.573
  138    HE2  PHE  19           HE2      PHE  19 -11.575  -0.590   8.103
  139    HZ   PHE  19           HZ       PHE  19  -9.160  -0.815   8.620
  140    H    ILE  20           H        ILE  20  -8.072   1.455   3.788
  141    HA   ILE  20           HA       ILE  20  -9.564  -0.508   2.106
  142    HB   ILE  20           HB       ILE  20  -6.679   0.383   1.736
  143   HG12  ILE  20          HG12      ILE  20  -9.038   0.892  -0.123
  144   HG13  ILE  20          HG13      ILE  20  -8.423   2.090   1.023
  145   HG21  ILE  20          HG21      ILE  20  -6.750  -1.056  -0.264
  146   HG22  ILE  20          HG22      ILE  20  -7.151  -2.008   1.168
  147   HG23  ILE  20          HG23      ILE  20  -8.447  -1.478   0.079
  148   HD11  ILE  20          HD11      ILE  20  -6.810   0.806  -1.215
  149   HD12  ILE  20          HD12      ILE  20  -7.468   2.455  -1.206
  150   HD13  ILE  20          HD13      ILE  20  -6.201   2.002  -0.047
  151    H    GLY  21           H        GLY  21  -9.951  -1.609   4.068
  152    HA2  GLY  21           HA2      GLY  21  -7.677  -2.506   5.702
  153    HA3  GLY  21           HA3      GLY  21  -9.392  -2.802   5.999
  154    H    ASN  22           H        ASN  22  -7.759  -4.838   6.441
  155    HA   ASN  22           HA       ASN  22  -7.334  -6.979   6.046
  156    HB2  ASN  22           HB2      ASN  22  -9.874  -6.797   5.793
  157    HB3  ASN  22           HB3      ASN  22  -9.607  -6.987   4.051
  158   HD21  ASN  22          HD21      ASN  22  -8.860  -9.042   3.254
  159   HD22  ASN  22          HD22      ASN  22  -8.920 -10.482   4.249
  160    H    LEU  23           H        LEU  23  -6.101  -4.897   4.228
  161    HA   LEU  23           HA       LEU  23  -5.805  -6.127   1.642
  162    HB2  LEU  23           HB2      LEU  23  -5.706  -3.702   2.095
  163    HB3  LEU  23           HB3      LEU  23  -4.231  -3.934   3.038
  164    HG   LEU  23           HG       LEU  23  -3.026  -4.688   1.023
  165   HD11  LEU  23          HD11      LEU  23  -4.885  -5.736  -0.232
  166   HD12  LEU  23          HD12      LEU  23  -5.653  -4.138  -0.429
  167   HD13  LEU  23          HD13      LEU  23  -4.091  -4.482  -1.201
  168   HD21  LEU  23          HD21      LEU  23  -3.061  -2.300   1.537
  169   HD22  LEU  23          HD22      LEU  23  -4.615  -2.112   0.685
  170   HD23  LEU  23          HD23      LEU  23  -3.148  -2.515  -0.226
  171    H    ASN  24           H        ASN  24  -3.896  -7.019   0.726
  172    HA   ASN  24           HA       ASN  24  -2.651  -9.058   2.269
  173    HB2  ASN  24           HB2      ASN  24  -2.964  -9.281  -0.103
  174    HB3  ASN  24           HB3      ASN  24  -2.112  -7.768  -0.420
  175   HD21  ASN  24          HD21      ASN  24  -0.233  -8.108  -1.360
  176   HD22  ASN  24          HD22      ASN  24   0.902  -9.387  -0.952
  177    H    THR  25           H        THR  25  -1.383  -5.941   1.056
  178    HA   THR  25           HA       THR  25   0.403  -4.695   1.534
  179    HB   THR  25           HB       THR  25   0.747  -4.122   3.835
  180    HG1  THR  25           HG1      THR  25  -0.492  -6.613   4.314
  181   HG21  THR  25          HG21      THR  25  -1.524  -3.609   4.469
  182   HG22  THR  25          HG22      THR  25  -1.431  -3.541   2.695
  183   HG23  THR  25          HG23      THR  25  -2.158  -4.957   3.502
  184    H    LEU  26           H        LEU  26   1.006  -7.896   1.398
  185    HA   LEU  26           HA       LEU  26   3.834  -7.547   2.278
  186    HB2  LEU  26           HB2      LEU  26   2.509 -10.052   1.187
  187    HB3  LEU  26           HB3      LEU  26   4.092  -9.906   1.945
  188    HG   LEU  26           HG       LEU  26   1.365  -9.832   3.234
  189   HD11  LEU  26          HD11      LEU  26   2.471 -11.574   4.632
  190   HD12  LEU  26          HD12      LEU  26   2.528 -11.973   2.900
  191   HD13  LEU  26          HD13      LEU  26   3.974 -11.338   3.723
  192   HD21  LEU  26          HD21      LEU  26   2.564  -7.907   4.222
  193   HD22  LEU  26          HD22      LEU  26   3.983  -8.941   4.521
  194   HD23  LEU  26          HD23      LEU  26   2.449  -9.245   5.372
  195    H    VAL  27           H        VAL  27   1.870  -7.306  -0.495
  196    HA   VAL  27           HA       VAL  27   4.258  -7.463  -2.280
  197    HB   VAL  27           HB       VAL  27   1.511  -8.564  -2.973
  198   HG11  VAL  27          HG11      VAL  27   2.858  -7.901  -4.923
  199   HG12  VAL  27          HG12      VAL  27   4.248  -8.821  -4.290
  200   HG13  VAL  27          HG13      VAL  27   2.774  -9.669  -4.810
  201   HG21  VAL  27          HG21      VAL  27   2.483  -9.970  -1.188
  202   HG22  VAL  27          HG22      VAL  27   2.535 -10.814  -2.739
  203   HG23  VAL  27          HG23      VAL  27   4.011 -10.065  -2.090
  204    H    VAL  28           H        VAL  28   1.406  -5.783  -1.229
  205    HA   VAL  28           HA       VAL  28   1.326  -4.121  -3.634
  206    HB   VAL  28           HB       VAL  28  -0.581  -4.825  -1.840
  207   HG11  VAL  28          HG11      VAL  28   0.212  -1.996  -1.062
  208   HG12  VAL  28          HG12      VAL  28  -1.126  -2.950  -0.394
  209   HG13  VAL  28          HG13      VAL  28   0.556  -3.425  -0.056
  210   HG21  VAL  28          HG21      VAL  28  -0.934  -3.743  -4.044
  211   HG22  VAL  28          HG22      VAL  28  -1.958  -3.041  -2.778
  212   HG23  VAL  28          HG23      VAL  28  -0.511  -2.169  -3.330
  213    H    LYS  29           H        LYS  29   1.769  -1.779  -3.504
  214    HA   LYS  29           HA       LYS  29   3.446  -0.898  -1.253
  215    HB2  LYS  29           HB2      LYS  29   5.000   0.103  -3.158
  216    HB3  LYS  29           HB3      LYS  29   5.287  -1.496  -2.472
  217    HG2  LYS  29           HG2      LYS  29   3.472  -1.395  -4.850
  218    HG3  LYS  29           HG3      LYS  29   5.175  -1.002  -5.129
  219    HD2  LYS  29           HD2      LYS  29   5.945  -3.079  -4.244
  220    HD3  LYS  29           HD3      LYS  29   4.354  -3.484  -3.574
  221    HE2  LYS  29           HE2      LYS  29   3.397  -3.694  -5.767
  222    HE3  LYS  29           HE3      LYS  29   4.883  -3.089  -6.539
  223    HZ1  LYS  29           HZ1      LYS  29   6.017  -5.044  -5.687
  224    HZ2  LYS  29           HZ2      LYS  29   4.608  -5.599  -5.031
  225    HZ3  LYS  29           HZ3      LYS  29   4.757  -5.473  -6.658
  226    H    LYS  30           H        LYS  30   4.126   1.482  -1.710
  227    HA   LYS  30           HA       LYS  30   1.785   3.068  -1.804
  228    HB2  LYS  30           HB2      LYS  30   3.773   3.802  -0.630
  229    HB3  LYS  30           HB3      LYS  30   4.752   3.668  -2.093
  230    HG2  LYS  30           HG2      LYS  30   4.280   6.003  -1.571
  231    HG3  LYS  30           HG3      LYS  30   3.573   5.546  -3.119
  232    HD2  LYS  30           HD2      LYS  30   1.337   5.395  -2.099
  233    HD3  LYS  30           HD3      LYS  30   2.033   5.644  -0.488
  234    HE2  LYS  30           HE2      LYS  30   1.006   7.703  -1.457
  235    HE3  LYS  30           HE3      LYS  30   2.725   7.886  -1.050
  236    HZ1  LYS  30           HZ1      LYS  30   1.649   7.384  -3.753
  237    HZ2  LYS  30           HZ2      LYS  30   2.201   8.826  -3.194
  238    HZ3  LYS  30           HZ3      LYS  30   3.233   7.558  -3.377
  239    H    SER  31           H        SER  31   3.835   1.870  -4.403
  240    HA   SER  31           HA       SER  31   2.738   3.855  -6.287
  241    HB2  SER  31           HB2      SER  31   4.341   2.822  -7.868
  242    HB3  SER  31           HB3      SER  31   5.127   3.365  -6.365
  243    HG   SER  31           HG       SER  31   5.756   1.248  -7.007
  244    H    ASP  32           H        ASP  32   1.738   0.871  -5.031
  245    HA   ASP  32           HA       ASP  32   0.403   0.066  -7.557
  246    HB2  ASP  32           HB2      ASP  32   1.033  -1.248  -4.926
  247    HB3  ASP  32           HB3      ASP  32  -0.361  -1.801  -5.828
  248    H    VAL  33           H        VAL  33  -0.318   1.148  -4.178
  249    HA   VAL  33           HA       VAL  33  -3.152   0.794  -4.509
  250    HB   VAL  33           HB       VAL  33  -1.616   2.598  -2.598
  251   HG11  VAL  33          HG11      VAL  33  -4.007   3.195  -2.788
  252   HG12  VAL  33          HG12      VAL  33  -4.460   1.499  -2.502
  253   HG13  VAL  33          HG13      VAL  33  -3.662   2.438  -1.218
  254   HG21  VAL  33          HG21      VAL  33  -1.957   0.721  -1.001
  255   HG22  VAL  33          HG22      VAL  33  -2.677  -0.249  -2.306
  256   HG23  VAL  33          HG23      VAL  33  -0.961   0.222  -2.380
  257    H    GLU  34           H        GLU  34  -0.921   3.525  -5.121
  258    HA   GLU  34           HA       GLU  34  -3.090   5.291  -5.882
  259    HB2  GLU  34           HB2      GLU  34  -1.349   6.848  -6.494
  260    HB3  GLU  34           HB3      GLU  34  -0.970   6.117  -4.919
  261    HG2  GLU  34           HG2      GLU  34   0.602   4.565  -6.010
  262    HG3  GLU  34           HG3      GLU  34   0.216   5.258  -7.592
  263    H    ALA  35           H        ALA  35  -2.030   2.554  -7.351
  264    HA   ALA  35           HA       ALA  35  -2.515   3.655 -10.084
  265    HB1  ALA  35           HB1      ALA  35  -0.964   1.180  -9.226
  266    HB2  ALA  35           HB2      ALA  35  -1.188   1.750 -10.898
  267    HB3  ALA  35           HB3      ALA  35  -0.244   2.719  -9.746
  268    H    ILE  36           H        ILE  36  -3.854   1.817  -7.566
  269    HA   ILE  36           HA       ILE  36  -5.524   0.172  -9.407
  270    HB   ILE  36           HB       ILE  36  -4.904   0.032  -6.445
  271   HG12  ILE  36          HG12      ILE  36  -4.419  -2.062  -8.593
  272   HG13  ILE  36          HG13      ILE  36  -3.253  -0.771  -8.292
  273   HG21  ILE  36          HG21      ILE  36  -6.251  -2.074  -6.451
  274   HG22  ILE  36          HG22      ILE  36  -7.239  -0.643  -6.756
  275   HG23  ILE  36          HG23      ILE  36  -6.776  -1.697  -8.109
  276   HD11  ILE  36          HD11      ILE  36  -2.599  -2.710  -7.008
  277   HD12  ILE  36          HD12      ILE  36  -3.137  -1.436  -5.896
  278   HD13  ILE  36          HD13      ILE  36  -4.208  -2.815  -6.254
  279    H    PHE  37           H        PHE  37  -5.571   2.953  -7.277
  280    HA   PHE  37           HA       PHE  37  -8.550   3.003  -7.393
  281    HB2  PHE  37           HB2      PHE  37  -6.526   4.185  -5.477
  282    HB3  PHE  37           HB3      PHE  37  -8.219   4.669  -5.494
  283    HD1  PHE  37           HD1      PHE  37  -6.090   1.573  -5.279
  284    HD2  PHE  37           HD2      PHE  37  -9.753   3.538  -4.175
  285    HE1  PHE  37           HE1      PHE  37  -6.709  -0.372  -3.888
  286    HE2  PHE  37           HE2      PHE  37 -10.379   1.588  -2.782
  287    HZ   PHE  37           HZ       PHE  37  -8.837  -0.370  -2.614
  288    H    SER  38           H        SER  38  -5.791   4.383  -8.864
  289    HA   SER  38           HA       SER  38  -6.834   7.054  -9.178
  290    HB2  SER  38           HB2      SER  38  -4.448   6.508  -9.317
  291    HB3  SER  38           HB3      SER  38  -4.737   5.551 -10.789
  292    HG   SER  38           HG       SER  38  -4.051   7.682 -11.245
  293    H    LYS  39           H        LYS  39  -7.819   4.082 -10.505
  294    HA   LYS  39           HA       LYS  39  -8.683   5.161 -13.083
  295    HB2  LYS  39           HB2      LYS  39  -9.595   2.933 -13.451
  296    HB3  LYS  39           HB3      LYS  39  -7.932   2.805 -12.852
  297    HG2  LYS  39           HG2      LYS  39  -8.743   2.318 -10.588
  298    HG3  LYS  39           HG3      LYS  39 -10.424   2.572 -11.104
  299    HD2  LYS  39           HD2      LYS  39 -10.228   0.696 -12.701
  300    HD3  LYS  39           HD3      LYS  39  -8.562   0.395 -12.134
  301    HE2  LYS  39           HE2      LYS  39  -9.398  -0.000  -9.852
  302    HE3  LYS  39           HE3      LYS  39 -11.042   0.403 -10.358
  303    HZ1  LYS  39           HZ1      LYS  39  -9.474  -1.889 -11.325
  304    HZ2  LYS  39           HZ2      LYS  39 -10.745  -1.930 -10.272
  305    HZ3  LYS  39           HZ3      LYS  39 -10.986  -1.487 -11.837
  306    H    TYR  40           H        TYR  40  -9.832   5.495  -9.948
  307    HA   TYR  40           HA       TYR  40 -12.651   5.742 -10.897
  308    HB2  TYR  40           HB2      TYR  40 -11.455   4.557  -8.416
  309    HB3  TYR  40           HB3      TYR  40 -13.005   5.381  -8.282
  310    HD1  TYR  40           HD1      TYR  40 -14.604   4.757 -10.484
  311    HD2  TYR  40           HD2      TYR  40 -11.714   2.238  -8.536
  312    HE1  TYR  40           HE1      TYR  40 -15.815   2.753 -11.295
  313    HE2  TYR  40           HE2      TYR  40 -12.933   0.228  -9.332
  314    HH   TYR  40           HH       TYR  40 -15.877   0.464 -11.361
  315    H    GLY  41           H        GLY  41  -9.962   7.539  -9.961
  316    HA2  GLY  41           HA2      GLY  41 -11.406   9.953  -9.891
  317    HA3  GLY  41           HA3      GLY  41 -11.180   9.437  -8.217
  318    H    LYS  42           H        LYS  42 -10.096  11.814  -9.092
  319    HA   LYS  42           HA       LYS  42  -7.287  11.460  -9.765
  320    HB2  LYS  42           HB2      LYS  42  -8.378  13.498 -10.476
  321    HB3  LYS  42           HB3      LYS  42  -8.972  13.815  -8.833
  322    HG2  LYS  42           HG2      LYS  42  -7.059  15.264  -9.371
  323    HG3  LYS  42           HG3      LYS  42  -6.721  14.190  -8.015
  324    HD2  LYS  42           HD2      LYS  42  -5.520  12.637  -9.617
  325    HD3  LYS  42           HD3      LYS  42  -5.741  13.874 -10.883
  326    HE2  LYS  42           HE2      LYS  42  -4.562  15.519  -9.445
  327    HE3  LYS  42           HE3      LYS  42  -4.351  14.276  -8.200
  328    HZ1  LYS  42           HZ1      LYS  42  -3.047  13.012  -9.761
  329    HZ2  LYS  42           HZ2      LYS  42  -3.250  14.156 -10.930
  330    HZ3  LYS  42           HZ3      LYS  42  -2.402  14.511  -9.570
  331    H    ILE  43           H        ILE  43  -5.920  10.566  -8.328
  332    HA   ILE  43           HA       ILE  43  -6.396  10.893  -5.446
  333    HB   ILE  43           HB       ILE  43  -4.237   9.421  -7.000
  334   HG12  ILE  43          HG12      ILE  43  -6.748   8.518  -5.520
  335   HG13  ILE  43          HG13      ILE  43  -6.486   8.458  -7.272
  336   HG21  ILE  43          HG21      ILE  43  -4.920   9.377  -4.033
  337   HG22  ILE  43          HG22      ILE  43  -3.645   8.423  -4.829
  338   HG23  ILE  43          HG23      ILE  43  -3.494  10.181  -4.733
  339   HD11  ILE  43          HD11      ILE  43  -4.631   6.832  -6.913
  340   HD12  ILE  43          HD12      ILE  43  -4.994   6.841  -5.167
  341   HD13  ILE  43          HD13      ILE  43  -6.202   6.243  -6.307
  342    H    VAL  44           H        VAL  44  -5.489  12.410  -4.227
  343    HA   VAL  44           HA       VAL  44  -3.155  13.916  -5.303
  344    HB   VAL  44           HB       VAL  44  -4.031  15.848  -3.961
  345   HG11  VAL  44          HG11      VAL  44  -5.876  14.804  -6.148
  346   HG12  VAL  44          HG12      VAL  44  -5.675  16.501  -5.645
  347   HG13  VAL  44          HG13      VAL  44  -4.325  15.648  -6.411
  348   HG21  VAL  44          HG21      VAL  44  -5.547  14.541  -2.472
  349   HG22  VAL  44          HG22      VAL  44  -6.391  15.857  -3.325
  350   HG23  VAL  44          HG23      VAL  44  -6.585  14.182  -3.878
  351    H    GLY  45           H        GLY  45  -3.890  11.569  -3.254
  352    HA2  GLY  45           HA2      GLY  45  -1.486  11.875  -1.715
  353    HA3  GLY  45           HA3      GLY  45  -2.923  12.188  -0.728
  354    H    CYS  46           H        CYS  46  -0.954   9.841  -0.751
  355    HA   CYS  46           HA       CYS  46  -3.007   7.755  -0.573
  356    HB2  CYS  46           HB2      CYS  46  -2.377   7.671  -2.959
  357    HB3  CYS  46           HB3      CYS  46  -0.666   7.558  -2.518
  358    HG   CYS  46           HG       CYS  46  -3.100   5.514  -1.607
  359    H    SER  47           H        SER  47  -2.284   5.961   0.710
  360    HA   SER  47           HA       SER  47   0.494   5.959   1.643
  361    HB2  SER  47           HB2      SER  47  -0.668   7.617   3.123
  362    HB3  SER  47           HB3      SER  47  -1.796   6.338   3.613
  363    HG   SER  47           HG       SER  47   0.071   6.620   5.004
  364    H    VAL  48           H        VAL  48   1.019   3.976   2.769
  365    HA   VAL  48           HA       VAL  48  -1.097   1.932   2.833
  366    HB   VAL  48           HB       VAL  48  -0.324   1.725   0.581
  367   HG11  VAL  48          HG11      VAL  48   2.491   1.499   1.712
  368   HG12  VAL  48          HG12      VAL  48   2.017   1.204   0.022
  369   HG13  VAL  48          HG13      VAL  48   1.848   2.829   0.711
  370   HG21  VAL  48          HG21      VAL  48  -0.765  -0.368   1.842
  371   HG22  VAL  48          HG22      VAL  48   0.440  -0.572   0.556
  372   HG23  VAL  48          HG23      VAL  48   0.964  -0.466   2.250
  373    H    HIS  49           H        HIS  49  -0.699   0.241   4.216
  374    HA   HIS  49           HA       HIS  49   1.658   0.505   6.008
  375    HB2  HIS  49           HB2      HIS  49  -1.209   0.256   6.974
  376    HB3  HIS  49           HB3      HIS  49   0.230   0.627   7.928
  377    HD2  HIS  49           HD3      HIS  49  -2.439   2.211   5.714
  378    HE1  HIS  49           HE1      HIS  49   0.061   5.414   6.956
  379    HE2  HIS  49           HE2      HIS  49  -2.121   4.812   5.799
  380    H    LYS  50           H        LYS  50   0.876  -1.430   7.866
  381    HA   LYS  50           HA       LYS  50   0.657  -3.873   6.206
  382    HB2  LYS  50           HB2      LYS  50   1.504  -3.282   9.046
  383    HB3  LYS  50           HB3      LYS  50   1.025  -4.921   8.579
  384    HG2  LYS  50           HG2      LYS  50   3.118  -3.358   7.017
  385    HG3  LYS  50           HG3      LYS  50   3.524  -4.380   8.408
  386    HD2  LYS  50           HD2      LYS  50   2.507  -6.330   7.339
  387    HD3  LYS  50           HD3      LYS  50   2.048  -5.362   5.926
  388    HE2  LYS  50           HE2      LYS  50   4.911  -5.711   6.882
  389    HE3  LYS  50           HE3      LYS  50   4.149  -6.741   5.663
  390    HZ1  LYS  50           HZ1      LYS  50   4.462  -3.823   5.437
  391    HZ2  LYS  50           HZ2      LYS  50   5.391  -4.941   4.673
  392    HZ3  LYS  50           HZ3      LYS  50   3.795  -4.820   4.304
  393    H    GLY  51           H        GLY  51  -1.096  -5.084   6.073
  394    HA2  GLY  51           HA2      GLY  51  -3.149  -5.981   6.515
  395    HA3  GLY  51           HA3      GLY  51  -3.184  -5.115   8.061
  396    H    PHE  52           H        PHE  52  -2.625  -2.527   6.221
  397    HA   PHE  52           HA       PHE  52  -5.200  -2.293   4.868
  398    HB2  PHE  52           HB2      PHE  52  -5.995  -0.419   6.208
  399    HB3  PHE  52           HB3      PHE  52  -5.884  -1.870   7.192
  400    HD1  PHE  52           HD1      PHE  52  -4.022  -2.106   8.865
  401    HD2  PHE  52           HD2      PHE  52  -4.718   1.535   6.689
  402    HE1  PHE  52           HE1      PHE  52  -2.618  -0.869  10.493
  403    HE2  PHE  52           HE2      PHE  52  -3.308   2.764   8.311
  404    HZ   PHE  52           HZ       PHE  52  -2.253   1.568  10.209
  405    H    ALA  53           H        ALA  53  -5.487  -0.030   4.009
  406    HA   ALA  53           HA       ALA  53  -3.049   1.593   3.736
  407    HB1  ALA  53           HB1      ALA  53  -4.500   0.355   1.366
  408    HB2  ALA  53           HB2      ALA  53  -3.182   1.553   1.277
  409    HB3  ALA  53           HB3      ALA  53  -2.868  -0.070   1.927
  410    H    PHE  54           H        PHE  54  -3.631   3.566   2.307
  411    HA   PHE  54           HA       PHE  54  -6.467   4.352   2.565
  412    HB2  PHE  54           HB2      PHE  54  -4.112   5.572   3.980
  413    HB3  PHE  54           HB3      PHE  54  -5.382   6.632   3.367
  414    HD1  PHE  54           HD2      PHE  54  -7.730   6.388   4.113
  415    HD2  PHE  54           HD1      PHE  54  -4.487   4.302   6.022
  416    HE1  PHE  54           HE2      PHE  54  -9.166   5.967   6.103
  417    HE2  PHE  54           HE1      PHE  54  -5.928   3.873   7.988
  418    HZ   PHE  54           HZ       PHE  54  -8.260   4.713   8.029
  419    H    VAL  55           H        VAL  55  -7.086   6.047   1.208
  420    HA   VAL  55           HA       VAL  55  -5.069   7.102  -0.706
  421    HB   VAL  55           HB       VAL  55  -7.741   5.830  -1.435
  422   HG11  VAL  55          HG11      VAL  55  -5.713   7.332  -3.136
  423   HG12  VAL  55          HG12      VAL  55  -7.076   6.381  -3.777
  424   HG13  VAL  55          HG13      VAL  55  -7.389   7.829  -2.804
  425   HG21  VAL  55          HG21      VAL  55  -5.907   4.201  -1.086
  426   HG22  VAL  55          HG22      VAL  55  -6.325   4.324  -2.803
  427   HG23  VAL  55          HG23      VAL  55  -4.870   5.146  -2.185
  428    H    GLN  56           H        GLN  56  -5.587   9.188  -1.479
  429    HA   GLN  56           HA       GLN  56  -7.861  10.512  -0.078
  430    HB2  GLN  56           HB2      GLN  56  -5.738  11.015   1.027
  431    HB3  GLN  56           HB3      GLN  56  -5.017  11.510  -0.519
  432    HG2  GLN  56           HG2      GLN  56  -5.630  13.472   0.766
  433    HG3  GLN  56           HG3      GLN  56  -6.663  13.359  -0.670
  434   HE21  GLN  56          HE21      GLN  56  -8.858  13.146  -0.426
  435   HE22  GLN  56          HE22      GLN  56  -9.676  13.109   1.121
  436    H    TYR  57           H        TYR  57  -9.300  11.072  -1.571
  437    HA   TYR  57           HA       TYR  57  -8.426  11.791  -4.300
  438    HB2  TYR  57           HB2      TYR  57 -11.143  11.324  -3.037
  439    HB3  TYR  57           HB3      TYR  57 -10.901  11.864  -4.693
  440    HD1  TYR  57           HD2      TYR  57  -8.826  10.309  -5.831
  441    HD2  TYR  57           HD1      TYR  57 -11.777   9.097  -2.954
  442    HE1  TYR  57           HE2      TYR  57  -8.738   7.993  -6.731
  443    HE2  TYR  57           HE1      TYR  57 -11.699   6.770  -3.867
  444    HH   TYR  57           HH       TYR  57 -10.767   5.376  -5.371
  445    H    VAL  58           H        VAL  58 -10.061  13.630  -5.182
  446    HA   VAL  58           HA       VAL  58  -9.256  16.010  -3.705
  447    HB   VAL  58           HB       VAL  58 -10.774  15.623  -6.313
  448   HG11  VAL  58          HG11      VAL  58 -10.191  18.008  -6.743
  449   HG12  VAL  58          HG12      VAL  58 -11.293  17.837  -5.368
  450   HG13  VAL  58          HG13      VAL  58  -9.561  18.138  -5.088
  451   HG21  VAL  58          HG21      VAL  58  -8.429  14.813  -6.349
  452   HG22  VAL  58          HG22      VAL  58  -8.617  16.276  -7.341
  453   HG23  VAL  58          HG23      VAL  58  -7.885  16.390  -5.728
  454    H    ASN  59           H        ASN  59 -12.103  14.004  -4.032
  455    HA   ASN  59           HA       ASN  59 -13.631  15.734  -2.218
  456    HB2  ASN  59           HB2      ASN  59 -15.552  15.891  -3.808
  457    HB3  ASN  59           HB3      ASN  59 -14.119  16.742  -4.394
  458   HD21  ASN  59          HD21      ASN  59 -13.699  16.417  -6.503
  459   HD22  ASN  59          HD22      ASN  59 -14.072  14.953  -7.400
  460    H    GLU  60           H        GLU  60 -15.959  14.735  -2.040
  461    HA   GLU  60           HA       GLU  60 -15.606  12.039  -1.060
  462    HB2  GLU  60           HB2      GLU  60 -17.032  13.494   0.172
  463    HB3  GLU  60           HB3      GLU  60 -17.911  14.008  -1.278
  464    HG2  GLU  60           HG2      GLU  60 -18.977  11.865  -1.514
  465    HG3  GLU  60           HG3      GLU  60 -17.953  11.153  -0.259
  466    H    ARG  61           H        ARG  61 -17.080  13.468  -3.961
  467    HA   ARG  61           HA       ARG  61 -18.640  11.270  -4.807
  468    HB2  ARG  61           HB2      ARG  61 -19.088  13.188  -5.952
  469    HB3  ARG  61           HB3      ARG  61 -17.425  13.756  -5.896
  470    HG2  ARG  61           HG2      ARG  61 -17.938  13.399  -8.178
  471    HG3  ARG  61           HG3      ARG  61 -16.769  12.188  -7.667
  472    HD2  ARG  61           HD2      ARG  61 -18.450  11.087  -9.020
  473    HD3  ARG  61           HD3      ARG  61 -18.697  10.579  -7.332
  474    HE   ARG  61           HE       ARG  61 -20.299  12.891  -7.974
  475   HH11  ARG  61          HH11      ARG  61 -20.138   9.386  -8.387
  476   HH12  ARG  61          HH12      ARG  61 -21.873   9.202  -8.535
  477   HH21  ARG  61          HH21      ARG  61 -22.547  12.635  -8.172
  478   HH22  ARG  61          HH22      ARG  61 -23.240  11.047  -8.402
  479    H    ASN  62           H        ASN  62 -15.179  12.006  -5.282
  480    HA   ASN  62           HA       ASN  62 -14.658   9.784  -7.036
  481    HB2  ASN  62           HB2      ASN  62 -13.000  11.646  -5.318
  482    HB3  ASN  62           HB3      ASN  62 -12.257  10.273  -6.156
  483   HD21  ASN  62          HD21      ASN  62 -14.814  12.647  -7.157
  484   HD22  ASN  62          HD22      ASN  62 -14.009  13.050  -8.666
  485    H    ALA  63           H        ALA  63 -14.690  10.200  -3.481
  486    HA   ALA  63           HA       ALA  63 -13.419   7.683  -2.915
  487    HB1  ALA  63           HB1      ALA  63 -14.268   8.026  -0.642
  488    HB2  ALA  63           HB2      ALA  63 -13.564   9.532  -1.285
  489    HB3  ALA  63           HB3      ALA  63 -15.332   9.327  -1.207
  490    H    ARG  64           H        ARG  64 -16.875   8.638  -3.302
  491    HA   ARG  64           HA       ARG  64 -17.926   6.057  -2.609
  492    HB2  ARG  64           HB2      ARG  64 -19.050   8.176  -4.490
  493    HB3  ARG  64           HB3      ARG  64 -19.960   6.853  -3.759
  494    HG2  ARG  64           HG2      ARG  64 -18.621   9.136  -2.241
  495    HG3  ARG  64           HG3      ARG  64 -20.345   9.009  -2.619
  496    HD2  ARG  64           HD2      ARG  64 -20.506   6.960  -1.260
  497    HD3  ARG  64           HD3      ARG  64 -18.768   7.047  -0.904
  498    HE   ARG  64           HE       ARG  64 -19.835   9.533  -0.163
  499   HH11  ARG  64          HH11      ARG  64 -20.326   6.154   0.798
  500   HH12  ARG  64          HH12      ARG  64 -20.707   6.584   2.451
  501   HH21  ARG  64          HH21      ARG  64 -20.381  10.037   1.955
  502   HH22  ARG  64          HH22      ARG  64 -20.787   8.775   3.095
  503    H    ALA  65           H        ALA  65 -16.409   7.339  -5.532
  504    HA   ALA  65           HA       ALA  65 -17.499   5.415  -7.352
  505    HB1  ALA  65           HB1      ALA  65 -16.419   7.577  -7.989
  506    HB2  ALA  65           HB2      ALA  65 -14.852   6.909  -7.463
  507    HB3  ALA  65           HB3      ALA  65 -15.715   6.175  -8.829
  508    H    ALA  66           H        ALA  66 -14.521   5.467  -5.306
  509    HA   ALA  66           HA       ALA  66 -13.812   2.797  -6.357
  510    HB1  ALA  66           HB1      ALA  66 -12.381   4.605  -4.388
  511    HB2  ALA  66           HB2      ALA  66 -11.739   3.110  -5.114
  512    HB3  ALA  66           HB3      ALA  66 -12.099   4.517  -6.146
  513    H    VAL  67           H        VAL  67 -15.163   4.254  -3.417
  514    HA   VAL  67           HA       VAL  67 -14.778   1.931  -1.763
  515    HB   VAL  67           HB       VAL  67 -16.541   4.396  -1.575
  516   HG11  VAL  67          HG11      VAL  67 -16.488   1.998   0.292
  517   HG12  VAL  67          HG12      VAL  67 -17.158   3.599   0.706
  518   HG13  VAL  67          HG13      VAL  67 -17.892   2.647  -0.592
  519   HG21  VAL  67          HG21      VAL  67 -14.296   3.270   0.142
  520   HG22  VAL  67          HG22      VAL  67 -14.106   4.541  -1.091
  521   HG23  VAL  67          HG23      VAL  67 -15.109   4.830   0.352
  522    H    ALA  68           H        ALA  68 -17.042   2.749  -4.281
  523    HA   ALA  68           HA       ALA  68 -18.506   0.216  -3.683
  524    HB1  ALA  68           HB1      ALA  68 -19.315   2.560  -5.448
  525    HB2  ALA  68           HB2      ALA  68 -20.295   1.120  -5.097
  526    HB3  ALA  68           HB3      ALA  68 -19.897   2.258  -3.793
  527    H    GLY  69           H        GLY  69 -16.076   1.527  -5.731
  528    HA2  GLY  69           HA2      GLY  69 -16.792  -0.203  -8.016
  529    HA3  GLY  69           HA3      GLY  69 -15.516   1.026  -7.943
  530    H    GLU  70           H        GLU  70 -14.470  -0.143  -5.326
  531    HA   GLU  70           HA       GLU  70 -13.045  -2.499  -6.533
  532    HB2  GLU  70           HB2      GLU  70 -12.035  -0.261  -4.747
  533    HB3  GLU  70           HB3      GLU  70 -11.105  -1.711  -5.145
  534    HG2  GLU  70           HG2      GLU  70 -12.179   0.235  -7.219
  535    HG3  GLU  70           HG3      GLU  70 -10.557   0.314  -6.522
  536    H    ASP  71           H        ASP  71 -15.028  -1.424  -3.886
  537    HA   ASP  71           HA       ASP  71 -13.865  -2.962  -1.807
  538    HB2  ASP  71           HB2      ASP  71 -15.513  -1.274  -1.345
  539    HB3  ASP  71           HB3      ASP  71 -16.717  -2.081  -2.344
  540    H    GLY  72           H        GLY  72 -13.769  -5.060  -1.357
  541    HA2  GLY  72           HA2      GLY  72 -14.445  -7.268  -1.254
  542    HA3  GLY  72           HA3      GLY  72 -15.778  -6.926  -2.377
  543    H    ARG  73           H        ARG  73 -12.690  -5.759  -3.473
  544    HA   ARG  73           HA       ARG  73 -12.684  -7.907  -5.501
  545    HB2  ARG  73           HB2      ARG  73 -11.449  -6.552  -6.878
  546    HB3  ARG  73           HB3      ARG  73 -12.542  -5.414  -6.062
  547    HG2  ARG  73           HG2      ARG  73 -10.796  -4.549  -4.698
  548    HG3  ARG  73           HG3      ARG  73  -9.721  -5.916  -5.027
  549    HD2  ARG  73           HD2      ARG  73 -10.669  -4.022  -7.201
  550    HD3  ARG  73           HD3      ARG  73  -9.183  -3.771  -6.267
  551    HE   ARG  73           HE       ARG  73  -9.232  -6.434  -7.325
  552   HH11  ARG  73          HH11      ARG  73  -8.750  -3.078  -8.330
  553   HH12  ARG  73          HH12      ARG  73  -7.685  -3.505  -9.651
  554   HH21  ARG  73          HH21      ARG  73  -7.846  -6.961  -9.044
  555   HH22  ARG  73          HH22      ARG  73  -7.188  -5.705 -10.068
  556    H    MET  74           H        MET  74 -10.623  -8.926  -6.175
  557    HA   MET  74           HA       MET  74  -8.945  -9.465  -3.795
  558    HB2  MET  74           HB2      MET  74  -9.880 -11.427  -4.770
  559    HB3  MET  74           HB3      MET  74  -9.327 -10.977  -6.397
  560    HG2  MET  74           HG2      MET  74  -7.054 -11.329  -5.871
  561    HG3  MET  74           HG3      MET  74  -7.344 -11.247  -4.132
  562    HE1  MET  74           HE1      MET  74  -8.002 -12.977  -2.635
  563    HE2  MET  74           HE2      MET  74  -9.601 -13.055  -3.395
  564    HE3  MET  74           HE3      MET  74  -8.703 -14.562  -3.063
  565    H    ILE  75           H        ILE  75  -6.846  -9.036  -3.677
  566    HA   ILE  75           HA       ILE  75  -5.334  -8.213  -6.067
  567    HB   ILE  75           HB       ILE  75  -5.383  -6.615  -3.479
  568   HG12  ILE  75          HG12      ILE  75  -6.467  -5.856  -6.233
  569   HG13  ILE  75          HG13      ILE  75  -7.467  -6.309  -4.848
  570   HG21  ILE  75          HG21      ILE  75  -3.936  -5.032  -4.671
  571   HG22  ILE  75          HG22      ILE  75  -3.193  -6.632  -4.609
  572   HG23  ILE  75          HG23      ILE  75  -3.962  -6.081  -6.114
  573   HD11  ILE  75          HD11      ILE  75  -7.469  -3.929  -4.992
  574   HD12  ILE  75          HD12      ILE  75  -6.516  -4.380  -3.566
  575   HD13  ILE  75          HD13      ILE  75  -5.693  -3.860  -5.060
  576    H    ALA  76           H        ALA  76  -3.296  -9.054  -6.008
  577    HA   ALA  76           HA       ALA  76  -1.625 -10.420  -5.397
  578    HB1  ALA  76           HB1      ALA  76  -1.865  -8.890  -2.789
  579    HB2  ALA  76           HB2      ALA  76  -0.433  -9.775  -3.366
  580    HB3  ALA  76           HB3      ALA  76  -1.007  -8.344  -4.253
  581    H    GLY  77           H        GLY  77  -4.500 -11.366  -4.575
  582    HA2  GLY  77           HA2      GLY  77  -4.792 -13.724  -4.268
  583    HA3  GLY  77           HA3      GLY  77  -3.405 -13.747  -3.167
  584    H    GLN  78           H        GLN  78  -5.144 -11.027  -2.291
  585    HA   GLN  78           HA       GLN  78  -7.062 -12.528  -0.567
  586    HB2  GLN  78           HB2      GLN  78  -5.077 -10.404   0.309
  587    HB3  GLN  78           HB3      GLN  78  -6.513 -10.835   1.242
  588    HG2  GLN  78           HG2      GLN  78  -5.469 -12.594   2.150
  589    HG3  GLN  78           HG3      GLN  78  -5.157 -13.281   0.553
  590   HE21  GLN  78          HE21      GLN  78  -3.289 -12.198  -0.687
  591   HE22  GLN  78          HE22      GLN  78  -1.851 -11.839   0.257
  592    H    VAL  79           H        VAL  79  -8.823 -11.262   0.191
  593    HA   VAL  79           HA       VAL  79  -9.544  -9.084  -1.686
  594    HB   VAL  79           HB       VAL  79 -11.201 -10.681   0.304
  595   HG11  VAL  79          HG11      VAL  79 -12.044  -8.548  -1.705
  596   HG12  VAL  79          HG12      VAL  79 -13.158  -9.610  -0.817
  597   HG13  VAL  79          HG13      VAL  79 -12.168  -8.435   0.063
  598   HG21  VAL  79          HG21      VAL  79 -10.491 -11.963  -1.686
  599   HG22  VAL  79          HG22      VAL  79 -12.230 -11.627  -1.741
  600   HG23  VAL  79          HG23      VAL  79 -11.119 -10.672  -2.744
  601    H    LEU  80           H        LEU  80 -10.216  -7.081  -0.983
  602    HA   LEU  80           HA       LEU  80  -9.376  -6.360   1.783
  603    HB2  LEU  80           HB2      LEU  80  -9.091  -4.015   0.527
  604    HB3  LEU  80           HB3      LEU  80  -7.787  -5.152   0.810
  605    HG   LEU  80           HG       LEU  80  -7.725  -4.184  -1.411
  606   HD11  LEU  80          HD11      LEU  80  -6.900  -6.546  -0.948
  607   HD12  LEU  80          HD12      LEU  80  -8.364  -7.124  -1.782
  608   HD13  LEU  80          HD13      LEU  80  -7.219  -6.111  -2.639
  609   HD21  LEU  80          HD21      LEU  80 -10.188  -3.924  -1.702
  610   HD22  LEU  80          HD22      LEU  80 -10.312  -5.665  -2.011
  611   HD23  LEU  80          HD23      LEU  80  -9.347  -4.637  -3.103
  612    H    ASP  81           H        ASP  81 -10.565  -4.953   2.930
  613    HA   ASP  81           HA       ASP  81 -13.373  -4.671   2.015
  614    HB2  ASP  81           HB2      ASP  81 -12.906  -5.887   4.136
  615    HB3  ASP  81           HB3      ASP  81 -12.071  -4.463   4.759
  616    H    ILE  82           H        ILE  82 -13.577  -2.801   0.890
  617    HA   ILE  82           HA       ILE  82 -12.053  -0.433   1.803
  618    HB   ILE  82           HB       ILE  82 -13.497  -1.047  -0.790
  619   HG12  ILE  82          HG12      ILE  82 -10.507  -0.769  -0.258
  620   HG13  ILE  82          HG13      ILE  82 -11.339  -2.335  -0.213
  621   HG21  ILE  82          HG21      ILE  82 -12.446   1.003  -1.646
  622   HG22  ILE  82          HG22      ILE  82 -13.486   1.370  -0.258
  623   HG23  ILE  82          HG23      ILE  82 -11.717   1.305  -0.048
  624   HD11  ILE  82          HD11      ILE  82 -12.108  -2.055  -2.501
  625   HD12  ILE  82          HD12      ILE  82 -11.299  -0.477  -2.622
  626   HD13  ILE  82          HD13      ILE  82 -10.333  -1.959  -2.417
  627    H    ASN  83           H        ASN  83 -13.056   1.493   2.368
  628    HA   ASN  83           HA       ASN  83 -15.966   1.716   2.290
  629    HB2  ASN  83           HB2      ASN  83 -15.344   0.136   4.230
  630    HB3  ASN  83           HB3      ASN  83 -14.603   1.542   5.006
  631   HD21  ASN  83          HD21      ASN  83 -16.004   3.261   5.792
  632   HD22  ASN  83          HD22      ASN  83 -17.718   2.959   5.979
  633    H    LEU  84           H        LEU  84 -16.697   3.791   3.226
  634    HA   LEU  84           HA       LEU  84 -14.912   5.970   2.736
  635    HB2  LEU  84           HB2      LEU  84 -17.685   5.550   3.284
  636    HB3  LEU  84           HB3      LEU  84 -17.093   6.612   4.557
  637    HG   LEU  84           HG       LEU  84 -18.016   7.850   2.645
  638   HD11  LEU  84          HD11      LEU  84 -16.225   8.845   4.025
  639   HD12  LEU  84          HD12      LEU  84 -15.002   8.209   2.895
  640   HD13  LEU  84          HD13      LEU  84 -16.186   9.418   2.343
  641   HD21  LEU  84          HD21      LEU  84 -17.375   6.221   0.854
  642   HD22  LEU  84          HD22      LEU  84 -15.682   6.776   1.017
  643   HD23  LEU  84          HD23      LEU  84 -16.939   7.903   0.483
  644    H    ALA  85           H        ALA  85 -13.847   7.360   4.339
  645    HA   ALA  85           HA       ALA  85 -12.836   5.704   6.498
  646    HB1  ALA  85           HB1      ALA  85 -12.142   8.542   5.676
  647    HB2  ALA  85           HB2      ALA  85 -11.219   7.524   6.809
  648    HB3  ALA  85           HB3      ALA  85 -11.356   7.049   5.096
  649    H    ALA  86           H        ALA  86 -15.551   7.596   6.372
  650    HA   ALA  86           HA       ALA  86 -15.416   8.061   9.309
  651    HB1  ALA  86           HB1      ALA  86 -16.702   9.852   7.213
  652    HB2  ALA  86           HB2      ALA  86 -16.739  10.105   8.975
  653    HB3  ALA  86           HB3      ALA  86 -15.191  10.190   8.099
  654    H    GLU  87           H        GLU  87 -16.574   5.935   7.311
  655    HA   GLU  87           HA       GLU  87 -19.249   5.868   8.607
  656    HB2  GLU  87           HB2      GLU  87 -18.739   5.302   5.668
  657    HB3  GLU  87           HB3      GLU  87 -20.291   5.163   6.520
  658    HG2  GLU  87           HG2      GLU  87 -20.096   7.620   7.092
  659    HG3  GLU  87           HG3      GLU  87 -18.676   7.700   6.039
  660    HA   PRO  88           HA       PRO  88 -16.802   1.803   8.532
  661    HB2  PRO  88           HB2      PRO  88 -16.264   1.510  11.214
  662    HB3  PRO  88           HB3      PRO  88 -15.188   2.387  10.085
  663    HG2  PRO  88           HG2      PRO  88 -17.318   3.553  11.904
  664    HG3  PRO  88           HG3      PRO  88 -15.608   4.077  11.718
  665    HD2  PRO  88           HD2      PRO  88 -17.610   5.334  10.396
  666    HD3  PRO  88           HD3      PRO  88 -16.038   5.015   9.588
  667    H    LYS  89           H        LYS  89 -17.788  -0.144   8.922
  668    HA   LYS  89           HA       LYS  89 -20.093  -0.249  10.762
  669    HB2  LYS  89           HB2      LYS  89 -20.840   0.390   8.422
  670    HB3  LYS  89           HB3      LYS  89 -20.222  -1.162   7.856
  671    HG2  LYS  89           HG2      LYS  89 -22.665  -1.177   8.220
  672    HG3  LYS  89           HG3      LYS  89 -21.845  -2.365   9.233
  673    HD2  LYS  89           HD2      LYS  89 -23.627  -1.146  10.447
  674    HD3  LYS  89           HD3      LYS  89 -22.039  -0.901  11.184
  675    HE2  LYS  89           HE2      LYS  89 -21.848   1.289  10.007
  676    HE3  LYS  89           HE3      LYS  89 -23.427   1.016   9.256
  677    HZ1  LYS  89           HZ1      LYS  89 -22.934   1.233  12.157
  678    HZ2  LYS  89           HZ2      LYS  89 -23.579   2.408  11.207
  679    HZ3  LYS  89           HZ3      LYS  89 -24.398   1.004  11.447
  680    H    VAL  90           H        VAL  90 -17.188  -1.444   9.931
  681    HA   VAL  90           HA       VAL  90 -17.897  -4.304  10.282
  682    HB   VAL  90           HB       VAL  90 -16.587  -3.642   8.290
  683   HG11  VAL  90          HG11      VAL  90 -14.407  -2.910  10.292
  684   HG12  VAL  90          HG12      VAL  90 -14.234  -2.969   8.528
  685   HG13  VAL  90          HG13      VAL  90 -15.307  -1.766   9.264
  686   HG21  VAL  90          HG21      VAL  90 -16.389  -5.910   9.306
  687   HG22  VAL  90          HG22      VAL  90 -14.919  -5.384   8.464
  688   HG23  VAL  90          HG23      VAL  90 -14.978  -5.339  10.237
  689    H    ASN  91           H        ASN  91 -16.631  -5.602  11.732
  690    HA   ASN  91           HA       ASN  91 -16.376  -4.243  14.289
  691    HB2  ASN  91           HB2      ASN  91 -15.732  -7.146  13.722
  692    HB3  ASN  91           HB3      ASN  91 -16.329  -6.416  15.219
  693   HD21  ASN  91          HD21      ASN  91 -17.147  -7.565  11.996
  694   HD22  ASN  91          HD22      ASN  91 -18.890  -7.553  12.201
  695    H    ARG  92           H        ARG  92 -14.278  -4.421  11.797
  696    HA   ARG  92           HA       ARG  92 -12.048  -4.608  11.478
  697    HB2  ARG  92           HB2      ARG  92 -12.063  -3.155  14.152
  698    HB3  ARG  92           HB3      ARG  92 -10.659  -3.268  13.066
  699    HG2  ARG  92           HG2      ARG  92 -12.087  -2.287  11.232
  700    HG3  ARG  92           HG3      ARG  92 -13.350  -1.992  12.441
  701    HD2  ARG  92           HD2      ARG  92 -10.518  -0.851  12.491
  702    HD3  ARG  92           HD3      ARG  92 -11.979   0.026  12.035
  703    HE   ARG  92           HE       ARG  92 -12.785  -0.149  14.319
  704   HH11  ARG  92          HH11      ARG  92  -9.379  -1.051  13.865
  705   HH12  ARG  92          HH12      ARG  92  -8.981  -0.786  15.543
  706   HH21  ARG  92          HH21      ARG  92 -12.219   0.176  16.489
  707   HH22  ARG  92          HH22      ARG  92 -10.575  -0.106  17.015
  708    H    GLY  93           H        GLY  93 -13.074  -6.963  12.265
  709    HA2  GLY  93           HA2      GLY  93 -11.738  -8.143  14.518
  710    HA3  GLY  93           HA3      GLY  93 -12.709  -8.969  13.280
  711    H    LYS  94           H        LYS  94 -10.185  -7.096  11.879
  712    HA   LYS  94           HA       LYS  94  -8.380  -7.598  10.718
  713    HB2  LYS  94           HB2      LYS  94  -7.715  -9.851  12.567
  714    HB3  LYS  94           HB3      LYS  94  -6.633  -8.752  11.707
  715    HG2  LYS  94           HG2      LYS  94  -7.359  -6.861  13.127
  716    HG3  LYS  94           HG3      LYS  94  -8.439  -7.932  14.033
  717    HD2  LYS  94           HD2      LYS  94  -5.409  -8.178  13.858
  718    HD3  LYS  94           HD3      LYS  94  -6.331  -7.601  15.254
  719    HE2  LYS  94           HE2      LYS  94  -6.469 -10.397  14.053
  720    HE3  LYS  94           HE3      LYS  94  -5.625  -9.941  15.542
  721    HZ1  LYS  94           HZ1      LYS  94  -8.528  -9.728  15.096
  722    HZ2  LYS  94           HZ2      LYS  94  -7.774 -10.857  16.015
  723    HZ3  LYS  94           HZ3      LYS  94  -7.734  -9.277  16.468
  724    H    ALA  95           H        ALA  95  -7.066  -9.423   9.793
  725    HA   ALA  95           HA       ALA  95  -8.763 -10.949   8.010
  726    HB1  ALA  95           HB1      ALA  95  -5.771 -10.858   8.467
  727    HB2  ALA  95           HB2      ALA  95  -6.572 -11.571   7.031
  728    HB3  ALA  95           HB3      ALA  95  -6.673  -9.813   7.351
  729    H    GLY  96           H        GLY  96  -8.507 -13.253   7.592
  730    HA2  GLY  96           HA2      GLY  96  -8.605 -14.859   9.996
  731    HA3  GLY  96           HA3      GLY  96  -8.746 -15.424   8.313
  732    H    VAL  97           H        VAL  97  -6.007 -13.606   8.309
  733    HA   VAL  97           HA       VAL  97  -4.240 -15.892   8.217
  734    HB   VAL  97           HB       VAL  97  -3.693 -12.892   8.221
  735   HG11  VAL  97          HG11      VAL  97  -1.950 -15.255   7.415
  736   HG12  VAL  97          HG12      VAL  97  -1.560 -13.544   7.111
  737   HG13  VAL  97          HG13      VAL  97  -1.669 -14.142   8.778
  738   HG21  VAL  97          HG21      VAL  97  -5.133 -13.589   6.337
  739   HG22  VAL  97          HG22      VAL  97  -3.502 -13.201   5.756
  740   HG23  VAL  97          HG23      VAL  97  -3.993 -14.900   5.942
  741    H    LYS  98           H        LYS  98  -5.233 -13.600  10.669
  742    HA   LYS  98           HA       LYS  98  -2.975 -14.258  12.429
  743    HB2  LYS  98           HB2      LYS  98  -5.443 -12.524  12.839
  744    HB3  LYS  98           HB3      LYS  98  -4.077 -12.640  13.960
  745    HG2  LYS  98           HG2      LYS  98  -4.040 -11.557  11.110
  746    HG3  LYS  98           HG3      LYS  98  -3.871 -10.624  12.598
  747    HD2  LYS  98           HD2      LYS  98  -1.895 -12.692  11.542
  748    HD3  LYS  98           HD3      LYS  98  -1.694 -10.935  11.521
  749    HE2  LYS  98           HE2      LYS  98  -1.714 -10.863  13.971
  750    HE3  LYS  98           HE3      LYS  98  -2.016 -12.604  14.054
  751    HZ1  LYS  98           HZ1      LYS  98   0.093 -12.982  13.002
  752    HZ2  LYS  98           HZ2      LYS  98   0.377 -11.375  12.862
  753    HZ3  LYS  98           HZ3      LYS  98   0.312 -12.065  14.351
  754    H    ARG  99           H        ARG  99  -3.211 -15.204  14.491
  755    HA   ARG  99           HA       ARG  99  -5.531 -17.078  14.712
  756    HB2  ARG  99           HB2      ARG  99  -2.587 -17.339  15.236
  757    HB3  ARG  99           HB3      ARG  99  -3.700 -18.182  16.320
  758    HG2  ARG  99           HG2      ARG  99  -3.013 -19.669  14.536
  759    HG3  ARG  99           HG3      ARG  99  -4.750 -19.339  14.431
  760    HD2  ARG  99           HD2      ARG  99  -4.356 -17.727  12.619
  761    HD3  ARG  99           HD3      ARG  99  -2.596 -17.962  12.773
  762    HE   ARG  99           HE       ARG  99  -3.998 -20.452  12.328
  763   HH11  ARG  99          HH11      ARG  99  -2.748 -17.592  10.644
  764   HH12  ARG  99          HH12      ARG  99  -2.545 -18.447   9.135
  765   HH21  ARG  99          HH21      ARG  99  -3.721 -21.514  10.344
  766   HH22  ARG  99          HH22      ARG  99  -3.115 -20.641   8.957
  767    H    SER 100           H        SER 100  -6.207 -17.649  16.860
  768    HA   SER 100           HA       SER 100  -6.437 -15.317  18.609
  769    HB2  SER 100           HB2      SER 100  -7.424 -18.180  18.870
  770    HB3  SER 100           HB3      SER 100  -7.903 -16.823  19.916
  771    HG   SER 100           HG       SER 100  -9.382 -17.241  18.173
  772    H    ALA 101           H        ALA 101  -5.787 -15.317  20.872
  773    HA   ALA 101           HA       ALA 101  -3.145 -16.341  21.254
  774    HB1  ALA 101           HB1      ALA 101  -5.131 -15.163  23.241
  775    HB2  ALA 101           HB2      ALA 101  -3.385 -15.364  23.504
  776    HB3  ALA 101           HB3      ALA 101  -3.972 -14.241  22.255
  777    H    ALA 102           H        ALA 102  -6.134 -17.920  21.475
  778    HA   ALA 102           HA       ALA 102  -5.139 -19.890  23.472
  779    HB1  ALA 102           HB1      ALA 102  -7.894 -19.410  22.300
  780    HB2  ALA 102           HB2      ALA 102  -7.494 -20.591  23.570
  781    HB3  ALA 102           HB3      ALA 102  -7.339 -18.843  23.896
  782    H    GLU 103           H        GLU 103  -5.202 -19.355  20.168
  783    HA   GLU 103           HA       GLU 103  -5.277 -22.273  19.557
  784    HB2  GLU 103           HB2      GLU 103  -6.188 -19.944  17.830
  785    HB3  GLU 103           HB3      GLU 103  -6.100 -21.639  17.314
  786    HG2  GLU 103           HG2      GLU 103  -7.680 -22.263  19.130
  787    HG3  GLU 103           HG3      GLU 103  -7.815 -20.554  19.584
  788    H    MET 104           H        MET 104  -3.076 -20.143  20.244
  789    HA   MET 104           HA       MET 104  -1.496 -20.010  17.841
  790    HB2  MET 104           HB2      MET 104  -0.905 -19.512  20.779
  791    HB3  MET 104           HB3      MET 104   0.364 -19.442  19.534
  792    HG2  MET 104           HG2      MET 104  -2.164 -17.792  19.478
  793    HG3  MET 104           HG3      MET 104  -0.570 -17.234  20.004
  794    HE1  MET 104           HE1      MET 104  -0.491 -15.269  18.451
  795    HE2  MET 104           HE2      MET 104  -0.894 -15.307  16.713
  796    HE3  MET 104           HE3      MET 104  -2.150 -15.664  17.928
  797    H    TYR 105           H        TYR 105   0.870 -20.817  18.020
  798    HA   TYR 105           HA       TYR 105   0.774 -23.632  17.652
  799    HB2  TYR 105           HB2      TYR 105   3.206 -21.848  17.967
  800    HB3  TYR 105           HB3      TYR 105   3.108 -23.369  17.086
  801    HD1  TYR 105           HD1      TYR 105   2.157 -19.787  17.110
  802    HD2  TYR 105           HD2      TYR 105   2.163 -23.437  14.833
  803    HE1  TYR 105           HE1      TYR 105   1.505 -18.517  15.089
  804    HE2  TYR 105           HE2      TYR 105   1.538 -22.166  12.789
  805    HH   TYR 105           HH       TYR 105   1.028 -18.620  12.848
  806    H    GLY 106           H        GLY 106   1.215 -21.772  20.504
  807    HA2  GLY 106           HA2      GLY 106   1.603 -22.400  22.684
  808    HA3  GLY 106           HA3      GLY 106   1.600 -24.097  22.159
  809    H5'    A   1           H5'        A   1   1.919 -12.971   8.781
  810   H5''    A   1          H5''        A   1   3.473 -12.934   7.924
  811    H4'    A   1           H4'        A   1   3.093 -11.777  10.721
  812    H3'    A   1           H3'        A   1   1.706 -10.681   8.698
  813    H2'    A   1           H2'        A   1   3.340 -10.779   7.001
  814   HO2'    A   1          HO2'        A   1   3.814  -8.323   8.356
  815    H1'    A   1           H1'        A   1   5.632  -9.823   8.588
  816    H8     A   1           H8         A   1   5.373 -10.320   5.553
  817    H61    A   1           H61        A   1   8.537 -15.631   5.056
  818    H62    A   1           H62        A   1   7.900 -14.251   4.173
  819    H2     A   1           H2         A   1   7.476 -15.148   9.257
  820    H5'    U   2           H5'        U   2   1.016  -7.030   9.260
  821   H5''    U   2          H5''        U   2   0.211  -6.736  10.815
  822    H4'    U   2           H4'        U   2  -1.354  -5.991   9.254
  823    H3'    U   2           H3'        U   2  -2.077  -8.145  10.837
  824    H2'    U   2           H2'        U   2  -1.507  -9.766   9.154
  825   HO2'    U   2          HO2'        U   2  -4.247  -9.062   8.868
  826    H1'    U   2           H1'        U   2  -2.914  -7.998   7.144
  827    H3     U   2           H3         U   2  -2.353 -11.320   4.095
  828    H5     U   2           H5         U   2   1.253 -11.366   6.251
  829    H6     U   2           H6         U   2   0.415  -9.518   7.576
  830    H5'    U   3           H5'        U   3  -6.577  -5.830  10.123
  831   H5''    U   3          H5''        U   3  -5.790  -5.840   8.524
  832    H4'    U   3           H4'        U   3  -5.946  -3.260   8.645
  833    H3'    U   3           H3'        U   3  -6.803  -3.755  11.232
  834    H2'    U   3           H2'        U   3  -8.820  -4.809  10.595
  835   HO2'    U   3          HO2'        U   3  -9.193  -2.540  11.621
  836    H1'    U   3           H1'        U   3  -9.157  -2.768   8.393
  837    H3     U   3           H3         U   3 -12.989  -4.664   6.915
  838    H5     U   3           H5         U   3 -10.975  -7.888   8.705
  839    H6     U   3           H6         U   3  -9.130  -6.378   9.194
  840    H5'    U   4           H5'        U   4  -6.306   0.770   9.604
  841   H5''    U   4          H5''        U   4  -5.465   1.063  11.137
  842    H4'    U   4           H4'        U   4  -5.965   3.195  10.167
  843    H3'    U   4           H3'        U   4  -6.992   2.419  12.745
  844    H2'    U   4           H2'        U   4  -9.225   2.574  12.055
  845   HO2'    U   4          HO2'        U   4  -8.895   4.301  13.592
  846    H1'    U   4           H1'        U   4  -8.318   4.793  10.203
  847    H3     U   4           H3         U   4 -12.434   5.759   8.686
  848    H5     U   4           H5         U   4 -12.703   1.646   9.519
  849    H6     U   4           H6         U   4 -10.411   1.718  10.313
  850    H5'    U   5           H5'        U   5  -4.028   3.352  10.394
  851   H5''    U   5          H5''        U   5  -2.640   3.460  11.484
  852    H4'    U   5           H4'        U   5  -1.790   4.129   9.401
  853    H3'    U   5           H3'        U   5  -1.695   5.906  11.489
  854    H2'    U   5           H2'        U   5  -3.599   7.171  10.900
  855   HO2'    U   5          HO2'        U   5  -1.446   8.424  10.543
  856    H1'    U   5           H1'        U   5  -2.873   7.080   7.985
  857    H3     U   5           H3         U   5  -6.741   8.960   6.746
  858    H5     U   5           H5         U   5  -7.804   6.907  10.267
  859    H6     U   5           H6         U   5  -5.515   6.122  10.420
  860    H5'    U   6           H5'        U   6   1.460   5.221   8.430
  861   H5''    U   6          H5''        U   6   2.955   5.458   9.341
  862    H4'    U   6           H4'        U   6   3.323   5.375   6.890
  863    H3'    U   6           H3'        U   6   4.569   7.045   8.637
  864    H2'    U   6           H2'        U   6   3.053   8.894   8.367
  865   HO2'    U   6          HO2'        U   6   5.228   9.544   7.764
  866    H1'    U   6           H1'        U   6   3.003   8.471   5.379
  867    H3     U   6           H3         U   6   0.622  12.366   5.748
  868    H5     U   6           H5         U   6  -1.712   9.462   7.689
  869    H6     U   6           H6         U   6   0.147   7.927   7.513
  870    H5'    C   7           H5'        C   7   8.611   5.072   6.204
  871   H5''    C   7          H5''        C   7   6.974   4.547   5.766
  872    H4'    C   7           H4'        C   7   8.102   3.540   8.365
  873    H3'    C   7           H3'        C   7   9.799   3.330   6.206
  874    H2'    C   7           H2'        C   7   8.141   2.311   4.803
  875   HO2'    C   7          HO2'        C   7   8.777   0.071   4.701
  876    H1'    C   7           H1'        C   7   7.515   0.613   7.242
  877    H41    C   7           H41        C   7   2.326  -1.522   4.210
  878    H42    C   7           H42        C   7   3.152  -1.239   2.690
  879    H5     C   7           H5         C   7   5.259  -0.034   2.523
  880    H6     C   7           H6         C   7   7.007   1.045   3.772
  Start of MODEL    9
    1    H1   ALA   2           H        ALA   2   2.062  10.420  -6.503
    2    H2   ALA   2           H2       ALA   2   1.044   9.320  -5.801
    3    HA   ALA   2           HA       ALA   2   0.538  12.195  -6.100
    4    HB1  ALA   2           HB1      ALA   2  -1.124  10.060  -4.695
    5    HB2  ALA   2           HB2      ALA   2  -1.485  11.800  -4.778
    6    HB3  ALA   2           HB3      ALA   2  -1.519  10.825  -6.256
    7    H    SER   3           H        SER   3  -0.015  13.023  -3.722
    8    HA   SER   3           HA       SER   3   2.444  13.000  -2.315
    9    HB2  SER   3           HB2      SER   3  -0.317  13.852  -1.372
   10    HB3  SER   3           HB3      SER   3   1.239  14.328  -0.651
   11    HG   SER   3           HG       SER   3   0.411  15.879  -2.138
   12    H    ASN   4           H        ASN   4   2.426  12.637   0.187
   13    HA   ASN   4           HA       ASN   4   1.585   9.821   0.595
   14    HB2  ASN   4           HB2      ASN   4   3.491   9.720   2.182
   15    HB3  ASN   4           HB3      ASN   4   3.991  10.132   0.537
   16   HD21  ASN   4          HD21      ASN   4   3.380  11.474   3.800
   17   HD22  ASN   4          HD22      ASN   4   4.385  12.889   3.581
   18    H    VAL   5           H        VAL   5  -0.182  12.184   1.111
   19    HA   VAL   5           HA       VAL   5  -0.365  12.022   4.088
   20    HB   VAL   5           HB       VAL   5  -0.991  14.384   2.279
   21   HG11  VAL   5          HG11      VAL   5  -0.907  14.103   5.311
   22   HG12  VAL   5          HG12      VAL   5  -1.227  15.603   4.411
   23   HG13  VAL   5          HG13      VAL   5  -2.385  14.265   4.315
   24   HG21  VAL   5          HG21      VAL   5   1.343  13.833   4.154
   25   HG22  VAL   5          HG22      VAL   5   1.410  14.013   2.378
   26   HG23  VAL   5          HG23      VAL   5   0.995  15.407   3.392
   27    H    THR   6           H        THR   6  -2.208  11.295   4.874
   28    HA   THR   6           HA       THR   6  -4.693  11.556   3.324
   29    HB   THR   6           HB       THR   6  -5.190   9.148   3.450
   30    HG1  THR   6           HG1      THR   6  -3.853   8.603   5.198
   31   HG21  THR   6          HG21      THR   6  -4.030  10.032   1.408
   32   HG22  THR   6          HG22      THR   6  -2.474   9.546   2.140
   33   HG23  THR   6          HG23      THR   6  -3.691   8.321   1.745
   34    H    ASN   7           H        ASN   7  -3.480  12.375   6.100
   35    HA   ASN   7           HA       ASN   7  -5.598  11.071   7.745
   36    HB2  ASN   7           HB2      ASN   7  -3.295  10.278   8.199
   37    HB3  ASN   7           HB3      ASN   7  -2.852  11.924   8.698
   38   HD21  ASN   7          HD21      ASN   7  -2.345  11.256  10.802
   39   HD22  ASN   7          HD22      ASN   7  -3.573  10.766  11.956
   40    H    LYS   8           H        LYS   8  -5.822  13.666   6.302
   41    HA   LYS   8           HA       LYS   8  -5.857  15.704   8.394
   42    HB2  LYS   8           HB2      LYS   8  -6.933  15.474   5.577
   43    HB3  LYS   8           HB3      LYS   8  -7.464  16.784   6.627
   44    HG2  LYS   8           HG2      LYS   8  -5.623  17.471   5.183
   45    HG3  LYS   8           HG3      LYS   8  -5.221  17.633   6.890
   46    HD2  LYS   8           HD2      LYS   8  -4.410  15.155   5.353
   47    HD3  LYS   8           HD3      LYS   8  -3.476  16.648   5.198
   48    HE2  LYS   8           HE2      LYS   8  -4.043  15.266   7.856
   49    HE3  LYS   8           HE3      LYS   8  -2.558  15.084   6.921
   50    HZ1  LYS   8           HZ1      LYS   8  -2.197  17.447   7.135
   51    HZ2  LYS   8           HZ2      LYS   8  -3.579  17.623   8.003
   52    HZ3  LYS   8           HZ3      LYS   8  -2.327  16.755   8.617
   53    H    THR   9           H        THR   9  -7.988  16.790   8.983
   54    HA   THR   9           HA       THR   9 -10.093  14.729   9.404
   55    HB   THR   9           HB       THR   9 -10.376  15.521  11.728
   56    HG1  THR   9           HG1      THR   9  -8.654  16.729  12.610
   57   HG21  THR   9          HG21      THR   9  -7.575  14.480  11.102
   58   HG22  THR   9          HG22      THR   9  -8.454  14.313  12.640
   59   HG23  THR   9          HG23      THR   9  -9.047  13.482  11.188
   60    H    ASP  10           H        ASP  10  -9.768  17.127   7.579
   61    HA   ASP  10           HA       ASP  10 -11.622  19.117   8.515
   62    HB2  ASP  10           HB2      ASP  10 -10.561  18.404   5.755
   63    HB3  ASP  10           HB3      ASP  10 -11.585  19.805   6.091
   64    HA   PRO  11           HA       PRO  11 -15.463  17.258   7.933
   65    HB2  PRO  11           HB2      PRO  11 -17.057  19.292   6.991
   66    HB3  PRO  11           HB3      PRO  11 -16.400  19.237   8.661
   67    HG2  PRO  11           HG2      PRO  11 -15.266  20.693   6.253
   68    HG3  PRO  11           HG3      PRO  11 -15.570  21.352   7.896
   69    HD2  PRO  11           HD2      PRO  11 -13.121  20.491   7.168
   70    HD3  PRO  11           HD3      PRO  11 -13.747  20.113   8.804
   71    H    ARG  12           H        ARG  12 -13.743  18.244   5.146
   72    HA   ARG  12           HA       ARG  12 -15.644  16.664   3.475
   73    HB2  ARG  12           HB2      ARG  12 -15.161  18.043   1.570
   74    HB3  ARG  12           HB3      ARG  12 -15.729  19.036   2.913
   75    HG2  ARG  12           HG2      ARG  12 -13.979  20.305   2.087
   76    HG3  ARG  12           HG3      ARG  12 -13.189  19.434   3.408
   77    HD2  ARG  12           HD2      ARG  12 -12.273  17.807   1.767
   78    HD3  ARG  12           HD3      ARG  12 -13.140  18.643   0.462
   79    HE   ARG  12           HE       ARG  12 -11.359  20.373   2.004
   80   HH11  ARG  12          HH11      ARG  12 -11.560  18.130  -0.730
   81   HH12  ARG  12          HH12      ARG  12 -10.164  18.805  -1.532
   82   HH21  ARG  12          HH21      ARG  12  -9.545  21.229   0.932
   83   HH22  ARG  12          HH22      ARG  12  -9.029  20.558  -0.594
   84    H    SER  13           H        SER  13 -12.541  16.793   4.822
   85    HA   SER  13           HA       SER  13 -11.342  15.148   2.686
   86    HB2  SER  13           HB2      SER  13  -9.294  15.370   3.873
   87    HB3  SER  13           HB3      SER  13 -10.065  16.966   3.932
   88    HG   SER  13           HG       SER  13 -10.876  16.311   6.030
   89    H    MET  14           H        MET  14 -12.940  14.857   5.780
   90    HA   MET  14           HA       MET  14 -12.057  12.191   6.417
   91    HB2  MET  14           HB2      MET  14 -14.280  14.045   7.297
   92    HB3  MET  14           HB3      MET  14 -14.243  12.370   7.875
   93    HG2  MET  14           HG2      MET  14 -11.667  13.839   8.044
   94    HG3  MET  14           HG3      MET  14 -12.959  14.454   9.070
   95    HE1  MET  14           HE1      MET  14 -11.678   9.992   9.337
   96    HE2  MET  14           HE2      MET  14 -12.820  10.607   8.137
   97    HE3  MET  14           HE3      MET  14 -11.099  11.079   8.052
   98    H    ASN  15           H        ASN  15 -14.242  13.460   4.060
   99    HA   ASN  15           HA       ASN  15 -15.364  10.739   3.712
  100    HB2  ASN  15           HB2      ASN  15 -17.381  12.015   2.682
  101    HB3  ASN  15           HB3      ASN  15 -17.222  11.893   4.438
  102   HD21  ASN  15          HD21      ASN  15 -16.664  13.715   5.671
  103   HD22  ASN  15          HD22      ASN  15 -16.771  15.336   5.011
  104    H    SER  16           H        SER  16 -13.214  12.866   2.403
  105    HA   SER  16           HA       SER  16 -13.787  11.928  -0.360
  106    HB2  SER  16           HB2      SER  16 -12.230  13.596  -1.117
  107    HB3  SER  16           HB3      SER  16 -13.366  14.373   0.022
  108    HG   SER  16           HG       SER  16 -11.159  14.897   0.414
  109    H    ARG  17           H        ARG  17 -12.629  10.540   2.177
  110    HA   ARG  17           HA       ARG  17 -10.028   9.604   1.059
  111    HB2  ARG  17           HB2      ARG  17 -10.000  10.847   3.164
  112    HB3  ARG  17           HB3      ARG  17 -11.103   9.676   3.895
  113    HG2  ARG  17           HG2      ARG  17  -9.408   7.882   3.633
  114    HG3  ARG  17           HG3      ARG  17  -8.315   9.037   2.827
  115    HD2  ARG  17           HD2      ARG  17  -9.364   9.203   5.674
  116    HD3  ARG  17           HD3      ARG  17  -7.690   8.862   5.171
  117    HE   ARG  17           HE       ARG  17  -8.069  11.227   3.973
  118   HH11  ARG  17          HH11      ARG  17  -8.831  10.278   7.308
  119   HH12  ARG  17          HH12      ARG  17  -8.794  11.935   7.869
  120   HH21  ARG  17          HH21      ARG  17  -8.078  13.302   4.722
  121   HH22  ARG  17          HH22      ARG  17  -8.382  13.639   6.421
  122    H    VAL  18           H        VAL  18  -9.503   7.374   1.331
  123    HA   VAL  18           HA       VAL  18 -11.861   5.553   1.541
  124    HB   VAL  18           HB       VAL  18  -9.444   5.246  -0.278
  125   HG11  VAL  18          HG11      VAL  18 -12.062   3.721  -0.072
  126   HG12  VAL  18          HG12      VAL  18 -10.805   3.464  -1.306
  127   HG13  VAL  18          HG13      VAL  18 -10.455   3.129   0.401
  128   HG21  VAL  18          HG21      VAL  18 -10.793   7.113  -1.113
  129   HG22  VAL  18          HG22      VAL  18 -11.012   5.682  -2.132
  130   HG23  VAL  18          HG23      VAL  18 -12.278   6.134  -0.959
  131    H    PHE  19           H        PHE  19 -11.659   4.048   3.079
  132    HA   PHE  19           HA       PHE  19  -8.982   3.447   4.215
  133    HB2  PHE  19           HB2      PHE  19 -10.777   3.948   5.791
  134    HB3  PHE  19           HB3      PHE  19 -11.813   2.738   5.042
  135    HD1  PHE  19           HD2      PHE  19  -8.190   2.550   6.075
  136    HD2  PHE  19           HD1      PHE  19 -12.203   1.105   6.633
  137    HE1  PHE  19           HE2      PHE  19  -7.356   0.822   7.637
  138    HE2  PHE  19           HE1      PHE  19 -11.365  -0.614   8.214
  139    HZ   PHE  19           HZ       PHE  19  -8.936  -0.769   8.705
  140    H    ILE  20           H        ILE  20  -7.986   1.481   3.831
  141    HA   ILE  20           HA       ILE  20  -9.487  -0.523   2.208
  142    HB   ILE  20           HB       ILE  20  -6.611   0.376   1.799
  143   HG12  ILE  20          HG12      ILE  20  -8.993   0.822  -0.040
  144   HG13  ILE  20          HG13      ILE  20  -8.383   2.049   1.079
  145   HG21  ILE  20          HG21      ILE  20  -7.063  -2.029   1.288
  146   HG22  ILE  20          HG22      ILE  20  -8.389  -1.542   0.215
  147   HG23  ILE  20          HG23      ILE  20  -6.708  -1.115  -0.178
  148   HD11  ILE  20          HD11      ILE  20  -6.762   0.754  -1.153
  149   HD12  ILE  20          HD12      ILE  20  -7.443   2.395  -1.156
  150   HD13  ILE  20          HD13      ILE  20  -6.162   1.964  -0.001
  151    H    GLY  21           H        GLY  21  -9.845  -1.809   4.008
  152    HA2  GLY  21           HA2      GLY  21  -7.555  -2.564   5.719
  153    HA3  GLY  21           HA3      GLY  21  -9.259  -2.909   6.018
  154    H    ASN  22           H        ASN  22  -7.523  -4.874   6.464
  155    HA   ASN  22           HA       ASN  22  -6.993  -6.995   6.085
  156    HB2  ASN  22           HB2      ASN  22  -9.533  -6.975   5.914
  157    HB3  ASN  22           HB3      ASN  22  -9.331  -7.140   4.169
  158   HD21  ASN  22          HD21      ASN  22  -8.862  -9.167   3.316
  159   HD22  ASN  22          HD22      ASN  22  -8.618 -10.594   4.299
  160    H    LEU  23           H        LEU  23  -5.964  -4.866   4.094
  161    HA   LEU  23           HA       LEU  23  -5.620  -6.215   1.587
  162    HB2  LEU  23           HB2      LEU  23  -5.542  -3.764   1.938
  163    HB3  LEU  23           HB3      LEU  23  -4.060  -3.941   2.873
  164    HG   LEU  23           HG       LEU  23  -2.870  -4.774   0.874
  165   HD11  LEU  23          HD11      LEU  23  -3.977  -4.680  -1.339
  166   HD12  LEU  23          HD12      LEU  23  -4.720  -5.906  -0.309
  167   HD13  LEU  23          HD13      LEU  23  -5.531  -4.337  -0.538
  168   HD21  LEU  23          HD21      LEU  23  -3.039  -2.660  -0.463
  169   HD22  LEU  23          HD22      LEU  23  -2.942  -2.360   1.292
  170   HD23  LEU  23          HD23      LEU  23  -4.500  -2.237   0.446
  171    H    ASN  24           H        ASN  24  -3.643  -7.171   0.735
  172    HA   ASN  24           HA       ASN  24  -2.498  -9.058   2.545
  173    HB2  ASN  24           HB2      ASN  24  -1.167  -9.744   0.650
  174    HB3  ASN  24           HB3      ASN  24  -2.819  -9.421   0.111
  175   HD21  ASN  24          HD21      ASN  24   0.169  -9.218  -0.978
  176   HD22  ASN  24          HD22      ASN  24   0.097  -7.725  -1.903
  177    H    THR  25           H        THR  25  -1.263  -6.053   1.108
  178    HA   THR  25           HA       THR  25   0.530  -4.773   1.444
  179    HB   THR  25           HB       THR  25   0.914  -4.026   3.658
  180    HG1  THR  25           HG1      THR  25  -0.214  -6.506   4.419
  181   HG21  THR  25          HG21      THR  25  -1.376  -3.618   4.408
  182   HG22  THR  25          HG22      THR  25  -1.324  -3.588   2.629
  183   HG23  THR  25          HG23      THR  25  -1.961  -5.014   3.489
  184    H    LEU  26           H        LEU  26   1.118  -7.937   1.372
  185    HA   LEU  26           HA       LEU  26   3.968  -7.631   2.196
  186    HB2  LEU  26           HB2      LEU  26   2.575 -10.134   1.207
  187    HB3  LEU  26           HB3      LEU  26   4.178  -9.993   1.917
  188    HG   LEU  26           HG       LEU  26   1.486  -9.890   3.268
  189   HD11  LEU  26          HD11      LEU  26   2.676 -12.027   3.002
  190   HD12  LEU  26          HD12      LEU  26   4.136 -11.321   3.738
  191   HD13  LEU  26          HD13      LEU  26   2.681 -11.555   4.716
  192   HD21  LEU  26          HD21      LEU  26   4.099  -8.900   4.493
  193   HD22  LEU  26          HD22      LEU  26   2.564  -9.199   5.360
  194   HD23  LEU  26          HD23      LEU  26   2.658  -7.906   4.164
  195    H    VAL  27           H        VAL  27   1.922  -7.496  -0.556
  196    HA   VAL  27           HA       VAL  27   4.277  -7.746  -2.363
  197    HB   VAL  27           HB       VAL  27   1.491  -8.720  -3.064
  198   HG11  VAL  27          HG11      VAL  27   4.243  -9.217  -4.272
  199   HG12  VAL  27          HG12      VAL  27   2.727  -9.961  -4.824
  200   HG13  VAL  27          HG13      VAL  27   2.955  -8.209  -4.976
  201   HG21  VAL  27          HG21      VAL  27   2.277 -10.117  -1.200
  202   HG22  VAL  27          HG22      VAL  27   2.369 -11.022  -2.716
  203   HG23  VAL  27          HG23      VAL  27   3.849 -10.335  -2.007
  204    H    VAL  28           H        VAL  28   1.497  -5.958  -1.311
  205    HA   VAL  28           HA       VAL  28   1.367  -4.359  -3.763
  206    HB   VAL  28           HB       VAL  28  -0.510  -5.004  -1.933
  207   HG11  VAL  28          HG11      VAL  28   0.332  -2.182  -1.167
  208   HG12  VAL  28          HG12      VAL  28  -0.979  -3.145  -0.454
  209   HG13  VAL  28          HG13      VAL  28   0.718  -3.616  -0.184
  210   HG21  VAL  28          HG21      VAL  28  -0.442  -2.349  -3.420
  211   HG22  VAL  28          HG22      VAL  28  -0.903  -3.915  -4.125
  212   HG23  VAL  28          HG23      VAL  28  -1.885  -3.203  -2.832
  213    H    LYS  29           H        LYS  29   1.777  -1.990  -3.670
  214    HA   LYS  29           HA       LYS  29   3.600  -1.115  -1.519
  215    HB2  LYS  29           HB2      LYS  29   4.992  -0.065  -3.519
  216    HB3  LYS  29           HB3      LYS  29   5.340  -1.676  -2.910
  217    HG2  LYS  29           HG2      LYS  29   3.320  -1.500  -5.120
  218    HG3  LYS  29           HG3      LYS  29   5.006  -1.135  -5.529
  219    HD2  LYS  29           HD2      LYS  29   5.791  -3.257  -4.814
  220    HD3  LYS  29           HD3      LYS  29   4.305  -3.618  -3.931
  221    HE2  LYS  29           HE2      LYS  29   4.433  -4.891  -6.026
  222    HE3  LYS  29           HE3      LYS  29   3.040  -3.796  -5.984
  223    HZ1  LYS  29           HZ1      LYS  29   4.220  -3.754  -8.097
  224    HZ2  LYS  29           HZ2      LYS  29   4.203  -2.287  -7.372
  225    HZ3  LYS  29           HZ3      LYS  29   5.580  -3.201  -7.356
  226    H    LYS  30           H        LYS  30   4.188   1.284  -1.935
  227    HA   LYS  30           HA       LYS  30   1.817   2.823  -1.860
  228    HB2  LYS  30           HB2      LYS  30   3.865   3.623  -0.826
  229    HB3  LYS  30           HB3      LYS  30   4.741   3.504  -2.354
  230    HG2  LYS  30           HG2      LYS  30   4.241   5.837  -1.861
  231    HG3  LYS  30           HG3      LYS  30   3.393   5.320  -3.315
  232    HD2  LYS  30           HD2      LYS  30   1.334   4.923  -1.847
  233    HD3  LYS  30           HD3      LYS  30   2.217   5.720  -0.528
  234    HE2  LYS  30           HE2      LYS  30   1.616   6.917  -3.268
  235    HE3  LYS  30           HE3      LYS  30   0.713   7.256  -1.786
  236    HZ1  LYS  30           HZ1      LYS  30   3.563   7.856  -2.219
  237    HZ2  LYS  30           HZ2      LYS  30   2.327   8.949  -2.220
  238    HZ3  LYS  30           HZ3      LYS  30   2.720   8.154  -0.837
  239    H    SER  31           H        SER  31   3.828   1.807  -4.584
  240    HA   SER  31           HA       SER  31   2.607   3.764  -6.387
  241    HB2  SER  31           HB2      SER  31   4.137   2.743  -8.048
  242    HB3  SER  31           HB3      SER  31   4.987   3.246  -6.572
  243    HG   SER  31           HG       SER  31   5.563   1.128  -7.257
  244    H    ASP  32           H        ASP  32   1.637   0.757  -5.150
  245    HA   ASP  32           HA       ASP  32   0.215   0.012  -7.641
  246    HB2  ASP  32           HB2      ASP  32   0.956  -1.341  -5.065
  247    HB3  ASP  32           HB3      ASP  32  -0.502  -1.877  -5.887
  248    H    VAL  33           H        VAL  33  -0.403   1.084  -4.237
  249    HA   VAL  33           HA       VAL  33  -3.249   0.787  -4.481
  250    HB   VAL  33           HB       VAL  33  -1.625   2.598  -2.646
  251   HG11  VAL  33          HG11      VAL  33  -4.475   1.515  -2.443
  252   HG12  VAL  33          HG12      VAL  33  -3.634   2.460  -1.194
  253   HG13  VAL  33          HG13      VAL  33  -4.026   3.208  -2.760
  254   HG21  VAL  33          HG21      VAL  33  -1.920   0.757  -1.006
  255   HG22  VAL  33          HG22      VAL  33  -2.690  -0.232  -2.265
  256   HG23  VAL  33          HG23      VAL  33  -0.978   0.228  -2.412
  257    H    GLU  34           H        GLU  34  -0.967   3.415  -5.265
  258    HA   GLU  34           HA       GLU  34  -3.138   5.235  -5.940
  259    HB2  GLU  34           HB2      GLU  34  -1.394   6.791  -6.546
  260    HB3  GLU  34           HB3      GLU  34  -1.014   6.040  -4.981
  261    HG2  GLU  34           HG2      GLU  34   0.537   4.482  -6.121
  262    HG3  GLU  34           HG3      GLU  34   0.154   5.242  -7.675
  263    H    ALA  35           H        ALA  35  -2.156   2.495  -7.410
  264    HA   ALA  35           HA       ALA  35  -2.663   3.584 -10.144
  265    HB1  ALA  35           HB1      ALA  35  -1.384   1.652 -10.961
  266    HB2  ALA  35           HB2      ALA  35  -0.403   2.627  -9.840
  267    HB3  ALA  35           HB3      ALA  35  -1.135   1.095  -9.293
  268    H    ILE  36           H        ILE  36  -3.970   1.781  -7.579
  269    HA   ILE  36           HA       ILE  36  -5.702   0.151  -9.373
  270    HB   ILE  36           HB       ILE  36  -4.996  -0.010  -6.423
  271   HG12  ILE  36          HG12      ILE  36  -4.596  -2.086  -8.605
  272   HG13  ILE  36          HG13      ILE  36  -3.400  -0.815  -8.324
  273   HG21  ILE  36          HG21      ILE  36  -6.911  -1.743  -8.034
  274   HG22  ILE  36          HG22      ILE  36  -6.356  -2.085  -6.381
  275   HG23  ILE  36          HG23      ILE  36  -7.356  -0.665  -6.692
  276   HD11  ILE  36          HD11      ILE  36  -4.329  -2.873  -6.288
  277   HD12  ILE  36          HD12      ILE  36  -2.738  -2.779  -7.075
  278   HD13  ILE  36          HD13      ILE  36  -3.242  -1.511  -5.932
  279    H    PHE  37           H        PHE  37  -5.660   2.917  -7.215
  280    HA   PHE  37           HA       PHE  37  -8.642   3.007  -7.271
  281    HB2  PHE  37           HB2      PHE  37  -6.575   4.163  -5.388
  282    HB3  PHE  37           HB3      PHE  37  -8.267   4.651  -5.370
  283    HD1  PHE  37           HD1      PHE  37  -6.142   1.546  -5.215
  284    HD2  PHE  37           HD2      PHE  37  -9.780   3.516  -4.041
  285    HE1  PHE  37           HE1      PHE  37  -6.745  -0.408  -3.834
  286    HE2  PHE  37           HE2      PHE  37 -10.387   1.561  -2.641
  287    HZ   PHE  37           HZ       PHE  37  -8.851  -0.410  -2.525
  288    H    SER  38           H        SER  38  -5.865   4.406  -8.742
  289    HA   SER  38           HA       SER  38  -6.924   7.077  -9.012
  290    HB2  SER  38           HB2      SER  38  -4.531   6.550  -9.151
  291    HB3  SER  38           HB3      SER  38  -4.814   5.614 -10.636
  292    HG   SER  38           HG       SER  38  -4.138   7.773 -11.048
  293    H    LYS  39           H        LYS  39  -7.871   4.117 -10.401
  294    HA   LYS  39           HA       LYS  39  -8.747   5.211 -12.962
  295    HB2  LYS  39           HB2      LYS  39  -9.663   2.984 -13.334
  296    HB3  LYS  39           HB3      LYS  39  -8.009   2.849 -12.725
  297    HG2  LYS  39           HG2      LYS  39  -8.846   2.373 -10.464
  298    HG3  LYS  39           HG3      LYS  39 -10.518   2.622 -11.004
  299    HD2  LYS  39           HD2      LYS  39 -10.301   0.741 -12.593
  300    HD3  LYS  39           HD3      LYS  39  -8.641   0.452 -12.015
  301    HE2  LYS  39           HE2      LYS  39  -9.474   0.041  -9.746
  302    HE3  LYS  39           HE3      LYS  39 -11.125   0.439 -10.252
  303    HZ1  LYS  39           HZ1      LYS  39 -11.053  -1.453 -11.739
  304    HZ2  LYS  39           HZ2      LYS  39  -9.537  -1.843 -11.228
  305    HZ3  LYS  39           HZ3      LYS  39 -10.810  -1.904 -10.179
  306    H    TYR  40           H        TYR  40  -9.891   5.458  -9.800
  307    HA   TYR  40           HA       TYR  40 -12.709   5.788 -10.730
  308    HB2  TYR  40           HB2      TYR  40 -11.509   4.564  -8.262
  309    HB3  TYR  40           HB3      TYR  40 -13.051   5.393  -8.126
  310    HD1  TYR  40           HD1      TYR  40 -14.667   4.810 -10.302
  311    HD2  TYR  40           HD2      TYR  40 -11.768   2.235  -8.437
  312    HE1  TYR  40           HE1      TYR  40 -15.917   2.823 -11.118
  313    HE2  TYR  40           HE2      TYR  40 -13.026   0.247  -9.241
  314    HH   TYR  40           HH       TYR  40 -16.005   0.534 -11.196
  315    H    GLY  41           H        GLY  41  -9.990   7.534  -9.812
  316    HA2  GLY  41           HA2      GLY  41 -11.391   9.963  -9.723
  317    HA3  GLY  41           HA3      GLY  41 -11.189   9.439  -8.046
  318    H    LYS  42           H        LYS  42 -10.084  11.809  -8.850
  319    HA   LYS  42           HA       LYS  42  -7.267  11.454  -9.515
  320    HB2  LYS  42           HB2      LYS  42  -8.333  13.480 -10.256
  321    HB3  LYS  42           HB3      LYS  42  -8.977  13.809  -8.635
  322    HG2  LYS  42           HG2      LYS  42  -7.051  15.262  -9.111
  323    HG3  LYS  42           HG3      LYS  42  -6.731  14.180  -7.754
  324    HD2  LYS  42           HD2      LYS  42  -5.489  12.654  -9.336
  325    HD3  LYS  42           HD3      LYS  42  -5.713  13.891 -10.603
  326    HE2  LYS  42           HE2      LYS  42  -4.575  15.546  -9.144
  327    HE3  LYS  42           HE3      LYS  42  -4.369  14.306  -7.898
  328    HZ1  LYS  42           HZ1      LYS  42  -3.214  14.206 -10.606
  329    HZ2  LYS  42           HZ2      LYS  42  -2.392  14.557  -9.230
  330    HZ3  LYS  42           HZ3      LYS  42  -3.029  13.057  -9.438
  331    H    ILE  43           H        ILE  43  -5.887  10.608  -8.066
  332    HA   ILE  43           HA       ILE  43  -6.407  10.923  -5.189
  333    HB   ILE  43           HB       ILE  43  -4.216   9.468  -6.716
  334   HG12  ILE  43          HG12      ILE  43  -6.741   8.523  -5.301
  335   HG13  ILE  43          HG13      ILE  43  -6.460   8.504  -7.053
  336   HG21  ILE  43          HG21      ILE  43  -4.954   9.416  -3.756
  337   HG22  ILE  43          HG22      ILE  43  -3.677   8.448  -4.537
  338   HG23  ILE  43          HG23      ILE  43  -3.518  10.207  -4.443
  339   HD11  ILE  43          HD11      ILE  43  -4.608   6.886  -6.732
  340   HD12  ILE  43          HD12      ILE  43  -4.962   6.843  -4.984
  341   HD13  ILE  43          HD13      ILE  43  -6.170   6.272  -6.139
  342    H    VAL  44           H        VAL  44  -5.510  12.431  -3.950
  343    HA   VAL  44           HA       VAL  44  -3.192  13.977  -5.016
  344    HB   VAL  44           HB       VAL  44  -4.105  15.879  -3.637
  345   HG11  VAL  44          HG11      VAL  44  -5.899  14.834  -5.867
  346   HG12  VAL  44          HG12      VAL  44  -5.735  16.527  -5.339
  347   HG13  VAL  44          HG13      VAL  44  -4.366  15.699  -6.108
  348   HG21  VAL  44          HG21      VAL  44  -5.613  14.505  -2.197
  349   HG22  VAL  44          HG22      VAL  44  -6.469  15.832  -3.018
  350   HG23  VAL  44          HG23      VAL  44  -6.634  14.177  -3.623
  351    H    GLY  45           H        GLY  45  -3.891  11.606  -2.985
  352    HA2  GLY  45           HA2      GLY  45  -1.493  11.920  -1.427
  353    HA3  GLY  45           HA3      GLY  45  -2.936  12.214  -0.438
  354    H    CYS  46           H        CYS  46  -0.903   9.845  -0.640
  355    HA   CYS  46           HA       CYS  46  -2.948   7.797  -0.263
  356    HB2  CYS  46           HB2      CYS  46  -2.712   7.690  -2.682
  357    HB3  CYS  46           HB3      CYS  46  -0.945   7.645  -2.556
  358    HG   CYS  46           HG       CYS  46  -3.104   5.494  -1.257
  359    H    SER  47           H        SER  47  -2.190   6.074   0.968
  360    HA   SER  47           HA       SER  47   0.690   5.847   1.506
  361    HB2  SER  47           HB2      SER  47   0.409   6.020   3.929
  362    HB3  SER  47           HB3      SER  47  -0.124   7.521   3.150
  363    HG   SER  47           HG       SER  47  -1.751   7.041   4.487
  364    H    VAL  48           H        VAL  48   1.219   3.840   2.616
  365    HA   VAL  48           HA       VAL  48  -0.974   1.878   2.806
  366    HB   VAL  48           HB       VAL  48  -0.303   1.617   0.540
  367   HG11  VAL  48          HG11      VAL  48   1.870   2.713   0.547
  368   HG12  VAL  48          HG12      VAL  48   2.564   1.389   1.523
  369   HG13  VAL  48          HG13      VAL  48   1.997   1.086  -0.139
  370   HG21  VAL  48          HG21      VAL  48   1.064  -0.562   2.164
  371   HG22  VAL  48          HG22      VAL  48  -0.685  -0.458   1.857
  372   HG23  VAL  48          HG23      VAL  48   0.439  -0.689   0.501
  373    H    HIS  49           H        HIS  49  -0.576   0.194   4.213
  374    HA   HIS  49           HA       HIS  49   1.844   0.435   5.923
  375    HB2  HIS  49           HB2      HIS  49  -0.980   0.356   7.011
  376    HB3  HIS  49           HB3      HIS  49   0.507   0.722   7.887
  377    HD2  HIS  49           HD3      HIS  49  -2.076   2.265   5.495
  378    HE1  HIS  49           HE1      HIS  49   0.340   5.478   6.871
  379    HE2  HIS  49           HE2      HIS  49  -1.730   4.859   5.522
  380    H    LYS  50           H        LYS  50   1.209  -1.367   7.885
  381    HA   LYS  50           HA       LYS  50   0.975  -3.910   6.442
  382    HB2  LYS  50           HB2      LYS  50   1.292  -3.149   9.364
  383    HB3  LYS  50           HB3      LYS  50   1.139  -4.819   8.843
  384    HG2  LYS  50           HG2      LYS  50   3.268  -3.115   7.542
  385    HG3  LYS  50           HG3      LYS  50   3.502  -3.655   9.205
  386    HD2  LYS  50           HD2      LYS  50   4.541  -5.263   7.742
  387    HD3  LYS  50           HD3      LYS  50   3.145  -6.006   8.528
  388    HE2  LYS  50           HE2      LYS  50   3.186  -6.690   6.226
  389    HE3  LYS  50           HE3      LYS  50   1.805  -5.611   6.459
  390    HZ1  LYS  50           HZ1      LYS  50   4.418  -4.838   5.331
  391    HZ2  LYS  50           HZ2      LYS  50   3.055  -5.097   4.465
  392    HZ3  LYS  50           HZ3      LYS  50   3.126  -3.832   5.512
  393    H    GLY  51           H        GLY  51  -0.837  -4.990   6.080
  394    HA2  GLY  51           HA2      GLY  51  -2.910  -5.893   6.369
  395    HA3  GLY  51           HA3      GLY  51  -2.986  -5.142   7.971
  396    H    PHE  52           H        PHE  52  -2.451  -2.422   6.288
  397    HA   PHE  52           HA       PHE  52  -5.056  -2.202   4.964
  398    HB2  PHE  52           HB2      PHE  52  -5.810  -0.327   6.306
  399    HB3  PHE  52           HB3      PHE  52  -5.656  -1.764   7.304
  400    HD1  PHE  52           HD2      PHE  52  -3.840  -1.947   8.991
  401    HD2  PHE  52           HD1      PHE  52  -4.397   1.608   6.633
  402    HE1  PHE  52           HE2      PHE  52  -2.374  -0.691  10.538
  403    HE2  PHE  52           HE1      PHE  52  -2.935   2.862   8.180
  404    HZ   PHE  52           HZ       PHE  52  -1.906   1.712  10.133
  405    H    ALA  53           H        ALA  53  -5.362   0.036   4.059
  406    HA   ALA  53           HA       ALA  53  -2.933   1.660   3.727
  407    HB1  ALA  53           HB1      ALA  53  -4.433   0.419   1.385
  408    HB2  ALA  53           HB2      ALA  53  -3.105   1.602   1.274
  409    HB3  ALA  53           HB3      ALA  53  -2.797  -0.024   1.927
  410    H    PHE  54           H        PHE  54  -3.518   3.676   2.400
  411    HA   PHE  54           HA       PHE  54  -6.369   4.441   2.687
  412    HB2  PHE  54           HB2      PHE  54  -4.005   5.637   4.098
  413    HB3  PHE  54           HB3      PHE  54  -5.264   6.715   3.505
  414    HD1  PHE  54           HD2      PHE  54  -7.661   6.337   4.170
  415    HD2  PHE  54           HD1      PHE  54  -4.350   4.447   6.167
  416    HE1  PHE  54           HE2      PHE  54  -9.110   5.874   6.128
  417    HE2  PHE  54           HE1      PHE  54  -5.807   3.970   8.114
  418    HZ   PHE  54           HZ       PHE  54  -8.182   4.683   8.095
  419    H    VAL  55           H        VAL  55  -7.059   6.050   1.350
  420    HA   VAL  55           HA       VAL  55  -5.125   7.220  -0.573
  421    HB   VAL  55           HB       VAL  55  -7.731   5.817  -1.300
  422   HG11  VAL  55          HG11      VAL  55  -7.130   6.439  -3.630
  423   HG12  VAL  55          HG12      VAL  55  -7.467   7.863  -2.633
  424   HG13  VAL  55          HG13      VAL  55  -5.780   7.422  -3.003
  425   HG21  VAL  55          HG21      VAL  55  -4.832   5.279  -2.074
  426   HG22  VAL  55          HG22      VAL  55  -5.819   4.274  -0.986
  427   HG23  VAL  55          HG23      VAL  55  -6.248   4.410  -2.702
  428    H    GLN  56           H        GLN  56  -5.587   9.298  -1.114
  429    HA   GLN  56           HA       GLN  56  -7.982  10.538   0.168
  430    HB2  GLN  56           HB2      GLN  56  -5.851  11.038   1.316
  431    HB3  GLN  56           HB3      GLN  56  -5.174  11.647  -0.207
  432    HG2  GLN  56           HG2      GLN  56  -5.854  13.532   1.109
  433    HG3  GLN  56           HG3      GLN  56  -6.998  13.393  -0.230
  434   HE21  GLN  56          HE21      GLN  56  -9.175  12.831   0.203
  435   HE22  GLN  56          HE22      GLN  56  -9.814  12.765   1.827
  436    H    TYR  57           H        TYR  57  -9.378  11.029  -1.370
  437    HA   TYR  57           HA       TYR  57  -8.455  11.792  -4.068
  438    HB2  TYR  57           HB2      TYR  57 -11.205  11.302  -2.871
  439    HB3  TYR  57           HB3      TYR  57 -10.928  11.852  -4.514
  440    HD1  TYR  57           HD2      TYR  57  -8.796  10.298  -5.599
  441    HD2  TYR  57           HD1      TYR  57 -11.845   9.100  -2.825
  442    HE1  TYR  57           HE2      TYR  57  -8.692   7.980  -6.496
  443    HE2  TYR  57           HE1      TYR  57 -11.760   6.770  -3.749
  444    HH   TYR  57           HH       TYR  57 -10.810   5.382  -5.238
  445    H    VAL  58           H        VAL  58 -10.098  13.594  -5.001
  446    HA   VAL  58           HA       VAL  58  -9.358  16.002  -3.523
  447    HB   VAL  58           HB       VAL  58 -10.741  15.564  -6.197
  448   HG11  VAL  58          HG11      VAL  58  -9.642  18.106  -4.931
  449   HG12  VAL  58          HG12      VAL  58 -10.168  17.954  -6.619
  450   HG13  VAL  58          HG13      VAL  58 -11.350  17.775  -5.308
  451   HG21  VAL  58          HG21      VAL  58  -8.376  14.801  -6.103
  452   HG22  VAL  58          HG22      VAL  58  -8.544  16.249  -7.113
  453   HG23  VAL  58          HG23      VAL  58  -7.906  16.392  -5.459
  454    H    ASN  59           H        ASN  59 -12.207  13.998  -4.031
  455    HA   ASN  59           HA       ASN  59 -13.785  15.768  -2.291
  456    HB2  ASN  59           HB2      ASN  59 -15.639  15.938  -3.907
  457    HB3  ASN  59           HB3      ASN  59 -14.166  16.704  -4.524
  458   HD21  ASN  59          HD21      ASN  59 -13.780  16.279  -6.616
  459   HD22  ASN  59          HD22      ASN  59 -14.242  14.802  -7.460
  460    H    GLU  60           H        GLU  60 -16.086  14.822  -2.095
  461    HA   GLU  60           HA       GLU  60 -15.813  12.207  -0.940
  462    HB2  GLU  60           HB2      GLU  60 -17.227  13.771   0.122
  463    HB3  GLU  60           HB3      GLU  60 -18.044  14.212  -1.388
  464    HG2  GLU  60           HG2      GLU  60 -19.185  12.082  -1.491
  465    HG3  GLU  60           HG3      GLU  60 -18.253  11.463  -0.126
  466    H    ARG  61           H        ARG  61 -17.110  13.416  -3.993
  467    HA   ARG  61           HA       ARG  61 -18.691  11.160  -4.711
  468    HB2  ARG  61           HB2      ARG  61 -19.199  12.953  -5.993
  469    HB3  ARG  61           HB3      ARG  61 -17.591  13.647  -5.866
  470    HG2  ARG  61           HG2      ARG  61 -17.940  13.198  -8.158
  471    HG3  ARG  61           HG3      ARG  61 -16.754  12.035  -7.576
  472    HD2  ARG  61           HD2      ARG  61 -18.566  10.327  -7.355
  473    HD3  ARG  61           HD3      ARG  61 -19.734  11.515  -7.971
  474    HE   ARG  61           HE       ARG  61 -17.746  11.413  -9.905
  475   HH11  ARG  61          HH11      ARG  61 -19.914   9.059  -8.398
  476   HH12  ARG  61          HH12      ARG  61 -19.967   8.033  -9.813
  477   HH21  ARG  61          HH21      ARG  61 -17.855  10.064 -11.739
  478   HH22  ARG  61          HH22      ARG  61 -18.808   8.598 -11.691
  479    H    ASN  62           H        ASN  62 -15.241  11.927  -5.180
  480    HA   ASN  62           HA       ASN  62 -14.674   9.673  -6.873
  481    HB2  ASN  62           HB2      ASN  62 -13.054  11.581  -5.167
  482    HB3  ASN  62           HB3      ASN  62 -12.283  10.212  -5.984
  483   HD21  ASN  62          HD21      ASN  62 -14.923  12.432  -7.103
  484   HD22  ASN  62          HD22      ASN  62 -14.071  12.914  -8.560
  485    H    ALA  63           H        ALA  63 -14.722  10.144  -3.322
  486    HA   ALA  63           HA       ALA  63 -13.362   7.691  -2.709
  487    HB1  ALA  63           HB1      ALA  63 -14.280   8.005  -0.459
  488    HB2  ALA  63           HB2      ALA  63 -13.612   9.535  -1.092
  489    HB3  ALA  63           HB3      ALA  63 -15.373   9.268  -1.061
  490    H    ARG  64           H        ARG  64 -16.866   8.474  -3.090
  491    HA   ARG  64           HA       ARG  64 -17.645   5.799  -2.294
  492    HB2  ARG  64           HB2      ARG  64 -19.180   8.011  -3.712
  493    HB3  ARG  64           HB3      ARG  64 -19.889   6.530  -3.042
  494    HG2  ARG  64           HG2      ARG  64 -19.020   7.128  -0.795
  495    HG3  ARG  64           HG3      ARG  64 -18.343   8.634  -1.457
  496    HD2  ARG  64           HD2      ARG  64 -20.642   9.269  -2.214
  497    HD3  ARG  64           HD3      ARG  64 -21.282   7.847  -1.373
  498    HE   ARG  64           HE       ARG  64 -20.454  10.369  -0.203
  499   HH11  ARG  64          HH11      ARG  64 -20.749   6.902   0.502
  500   HH12  ARG  64          HH12      ARG  64 -20.764   7.167   2.232
  501   HH21  ARG  64          HH21      ARG  64 -20.498  10.645   2.031
  502   HH22  ARG  64          HH22      ARG  64 -20.700   9.268   3.090
  503    H    ALA  65           H        ALA  65 -16.522   7.234  -5.252
  504    HA   ALA  65           HA       ALA  65 -17.635   5.333  -7.080
  505    HB1  ALA  65           HB1      ALA  65 -15.001   6.863  -7.234
  506    HB2  ALA  65           HB2      ALA  65 -15.882   6.139  -8.591
  507    HB3  ALA  65           HB3      ALA  65 -16.588   7.518  -7.715
  508    H    ALA  66           H        ALA  66 -14.579   5.403  -5.150
  509    HA   ALA  66           HA       ALA  66 -13.860   2.754  -6.232
  510    HB1  ALA  66           HB1      ALA  66 -12.167   4.502  -6.007
  511    HB2  ALA  66           HB2      ALA  66 -12.437   4.551  -4.245
  512    HB3  ALA  66           HB3      ALA  66 -11.774   3.085  -5.009
  513    H    VAL  67           H        VAL  67 -15.170   4.172  -3.243
  514    HA   VAL  67           HA       VAL  67 -14.756   1.845  -1.615
  515    HB   VAL  67           HB       VAL  67 -16.521   4.300  -1.425
  516   HG11  VAL  67          HG11      VAL  67 -17.135   3.523   0.869
  517   HG12  VAL  67          HG12      VAL  67 -17.872   2.539  -0.410
  518   HG13  VAL  67          HG13      VAL  67 -16.462   1.917   0.475
  519   HG21  VAL  67          HG21      VAL  67 -14.084   4.432  -0.955
  520   HG22  VAL  67          HG22      VAL  67 -15.084   4.759   0.479
  521   HG23  VAL  67          HG23      VAL  67 -14.281   3.188   0.300
  522    H    ALA  68           H        ALA  68 -17.043   2.621  -4.128
  523    HA   ALA  68           HA       ALA  68 -18.471   0.075  -3.503
  524    HB1  ALA  68           HB1      ALA  68 -19.370   2.415  -5.222
  525    HB2  ALA  68           HB2      ALA  68 -20.311   0.957  -4.858
  526    HB3  ALA  68           HB3      ALA  68 -19.899   2.102  -3.554
  527    H    GLY  69           H        GLY  69 -16.105   1.429  -5.566
  528    HA2  GLY  69           HA2      GLY  69 -16.837  -0.259  -7.874
  529    HA3  GLY  69           HA3      GLY  69 -15.565   0.970  -7.781
  530    H    GLU  70           H        GLU  70 -14.515  -0.228  -5.180
  531    HA   GLU  70           HA       GLU  70 -13.101  -2.581  -6.408
  532    HB2  GLU  70           HB2      GLU  70 -12.051  -0.333  -4.649
  533    HB3  GLU  70           HB3      GLU  70 -11.131  -1.783  -5.074
  534    HG2  GLU  70           HG2      GLU  70 -12.260   0.163  -7.119
  535    HG3  GLU  70           HG3      GLU  70 -10.626   0.253  -6.464
  536    H    ASP  71           H        ASP  71 -15.023  -1.490  -3.715
  537    HA   ASP  71           HA       ASP  71 -13.822  -3.011  -1.655
  538    HB2  ASP  71           HB2      ASP  71 -15.481  -1.340  -1.171
  539    HB3  ASP  71           HB3      ASP  71 -16.687  -2.164  -2.157
  540    H    GLY  72           H        GLY  72 -13.710  -5.106  -1.186
  541    HA2  GLY  72           HA2      GLY  72 -14.377  -7.319  -1.046
  542    HA3  GLY  72           HA3      GLY  72 -15.740  -6.991  -2.127
  543    H    ARG  73           H        ARG  73 -12.698  -5.824  -3.354
  544    HA   ARG  73           HA       ARG  73 -12.778  -7.980  -5.361
  545    HB2  ARG  73           HB2      ARG  73 -11.563  -6.635  -6.773
  546    HB3  ARG  73           HB3      ARG  73 -12.619  -5.494  -5.923
  547    HG2  ARG  73           HG2      ARG  73 -10.820  -4.650  -4.602
  548    HG3  ARG  73           HG3      ARG  73  -9.770  -6.020  -4.975
  549    HD2  ARG  73           HD2      ARG  73 -10.764  -4.112  -7.109
  550    HD3  ARG  73           HD3      ARG  73  -9.250  -3.868  -6.215
  551    HE   ARG  73           HE       ARG  73  -9.356  -6.534  -7.280
  552   HH11  ARG  73          HH11      ARG  73  -8.859  -3.181  -8.286
  553   HH12  ARG  73          HH12      ARG  73  -7.801  -3.614  -9.609
  554   HH21  ARG  73          HH21      ARG  73  -7.998  -7.072  -9.004
  555   HH22  ARG  73          HH22      ARG  73  -7.343  -5.827 -10.040
  556    H    MET  74           H        MET  74 -10.745  -9.022  -6.097
  557    HA   MET  74           HA       MET  74  -8.996  -9.572  -3.770
  558    HB2  MET  74           HB2      MET  74  -9.970 -11.533  -4.717
  559    HB3  MET  74           HB3      MET  74  -9.472 -11.077  -6.359
  560    HG2  MET  74           HG2      MET  74  -7.202 -11.470  -5.933
  561    HG3  MET  74           HG3      MET  74  -7.406 -11.357  -4.177
  562    HE1  MET  74           HE1      MET  74  -8.054 -13.048  -2.626
  563    HE2  MET  74           HE2      MET  74  -9.680 -13.144  -3.324
  564    HE3  MET  74           HE3      MET  74  -8.765 -14.635  -2.993
  565    H    ILE  75           H        ILE  75  -6.897  -9.134  -3.709
  566    HA   ILE  75           HA       ILE  75  -5.443  -8.322  -6.142
  567    HB   ILE  75           HB       ILE  75  -5.439  -6.710  -3.555
  568   HG12  ILE  75          HG12      ILE  75  -6.558  -5.943  -6.288
  569   HG13  ILE  75          HG13      ILE  75  -7.535  -6.405  -4.882
  570   HG21  ILE  75          HG21      ILE  75  -4.059  -6.202  -6.226
  571   HG22  ILE  75          HG22      ILE  75  -3.992  -5.145  -4.799
  572   HG23  ILE  75          HG23      ILE  75  -3.258  -6.749  -4.739
  573   HD11  ILE  75          HD11      ILE  75  -6.544  -4.491  -3.601
  574   HD12  ILE  75          HD12      ILE  75  -5.746  -3.965  -5.102
  575   HD13  ILE  75          HD13      ILE  75  -7.518  -4.013  -5.005
  576    H    ALA  76           H        ALA  76  -3.383  -9.132  -6.120
  577    HA   ALA  76           HA       ALA  76  -1.698 -10.500  -5.538
  578    HB1  ALA  76           HB1      ALA  76  -1.991  -9.091  -2.877
  579    HB2  ALA  76           HB2      ALA  76  -0.533  -9.926  -3.467
  580    HB3  ALA  76           HB3      ALA  76  -1.114  -8.462  -4.293
  581    H    GLY  77           H        GLY  77  -4.609 -11.460  -4.692
  582    HA2  GLY  77           HA2      GLY  77  -4.967 -13.803  -4.398
  583    HA3  GLY  77           HA3      GLY  77  -3.522 -13.893  -3.381
  584    H    GLN  78           H        GLN  78  -5.126 -11.124  -2.378
  585    HA   GLN  78           HA       GLN  78  -6.970 -12.607  -0.561
  586    HB2  GLN  78           HB2      GLN  78  -4.985 -10.430   0.203
  587    HB3  GLN  78           HB3      GLN  78  -6.356 -10.920   1.200
  588    HG2  GLN  78           HG2      GLN  78  -5.090 -12.498   2.120
  589    HG3  GLN  78           HG3      GLN  78  -5.091 -13.349   0.570
  590   HE21  GLN  78          HE21      GLN  78  -3.382 -12.537  -1.047
  591   HE22  GLN  78          HE22      GLN  78  -1.805 -12.145  -0.388
  592    H    VAL  79           H        VAL  79  -8.717 -11.327   0.275
  593    HA   VAL  79           HA       VAL  79  -9.512  -9.171  -1.609
  594    HB   VAL  79           HB       VAL  79 -11.117 -10.749   0.433
  595   HG11  VAL  79          HG11      VAL  79 -13.088  -9.680  -0.655
  596   HG12  VAL  79          HG12      VAL  79 -12.070  -8.507   0.198
  597   HG13  VAL  79          HG13      VAL  79 -11.996  -8.623  -1.575
  598   HG21  VAL  79          HG21      VAL  79 -10.447 -12.042  -1.561
  599   HG22  VAL  79          HG22      VAL  79 -12.190 -11.696  -1.595
  600   HG23  VAL  79          HG23      VAL  79 -11.081 -10.755  -2.618
  601    H    LEU  80           H        LEU  80 -10.155  -7.167  -0.898
  602    HA   LEU  80           HA       LEU  80  -9.256  -6.420   1.846
  603    HB2  LEU  80           HB2      LEU  80  -8.968  -4.100   0.576
  604    HB3  LEU  80           HB3      LEU  80  -7.668  -5.246   0.808
  605    HG   LEU  80           HG       LEU  80  -7.674  -4.270  -1.420
  606   HD11  LEU  80          HD11      LEU  80  -6.799  -6.597  -1.038
  607   HD12  LEU  80          HD12      LEU  80  -8.316  -7.227  -1.728
  608   HD13  LEU  80          HD13      LEU  80  -7.280  -6.203  -2.703
  609   HD21  LEU  80          HD21      LEU  80 -10.153  -4.011  -1.616
  610   HD22  LEU  80          HD22      LEU  80 -10.272  -5.752  -1.940
  611   HD23  LEU  80          HD23      LEU  80  -9.355  -4.702  -3.050
  612    H    ASP  81           H        ASP  81 -10.485  -5.085   3.026
  613    HA   ASP  81           HA       ASP  81 -13.264  -4.727   2.066
  614    HB2  ASP  81           HB2      ASP  81 -12.803  -5.903   4.236
  615    HB3  ASP  81           HB3      ASP  81 -12.069  -4.418   4.845
  616    H    ILE  82           H        ILE  82 -13.629  -2.820   1.064
  617    HA   ILE  82           HA       ILE  82 -12.012  -0.478   1.915
  618    HB   ILE  82           HB       ILE  82 -13.448  -1.088  -0.676
  619   HG12  ILE  82          HG12      ILE  82 -10.461  -0.827  -0.167
  620   HG13  ILE  82          HG13      ILE  82 -11.304  -2.388  -0.094
  621   HG21  ILE  82          HG21      ILE  82 -11.646   1.251   0.065
  622   HG22  ILE  82          HG22      ILE  82 -12.388   0.962  -1.533
  623   HG23  ILE  82          HG23      ILE  82 -13.409   1.337  -0.140
  624   HD11  ILE  82          HD11      ILE  82 -10.314  -2.037  -2.315
  625   HD12  ILE  82          HD12      ILE  82 -12.087  -2.140  -2.376
  626   HD13  ILE  82          HD13      ILE  82 -11.282  -0.559  -2.524
  627    H    ASN  83           H        ASN  83 -12.984   1.402   2.545
  628    HA   ASN  83           HA       ASN  83 -15.905   1.665   2.448
  629    HB2  ASN  83           HB2      ASN  83 -15.264   0.118   4.408
  630    HB3  ASN  83           HB3      ASN  83 -14.517   1.541   5.146
  631   HD21  ASN  83          HD21      ASN  83 -15.920   3.308   5.870
  632   HD22  ASN  83          HD22      ASN  83 -17.630   3.021   6.070
  633    H    LEU  84           H        LEU  84 -16.634   3.765   3.322
  634    HA   LEU  84           HA       LEU  84 -14.897   5.951   2.756
  635    HB2  LEU  84           HB2      LEU  84 -17.634   5.479   3.450
  636    HB3  LEU  84           HB3      LEU  84 -16.997   6.584   4.668
  637    HG   LEU  84           HG       LEU  84 -18.063   7.766   2.788
  638   HD11  LEU  84          HD11      LEU  84 -15.048   8.198   2.859
  639   HD12  LEU  84          HD12      LEU  84 -16.302   9.363   2.378
  640   HD13  LEU  84          HD13      LEU  84 -16.218   8.807   4.064
  641   HD21  LEU  84          HD21      LEU  84 -17.085   7.816   0.581
  642   HD22  LEU  84          HD22      LEU  84 -17.484   6.133   0.987
  643   HD23  LEU  84          HD23      LEU  84 -15.795   6.703   1.066
  644    H    ALA  85           H        ALA  85 -13.738   7.338   4.220
  645    HA   ALA  85           HA       ALA  85 -12.608   5.833   6.407
  646    HB1  ALA  85           HB1      ALA  85 -11.081   7.728   6.602
  647    HB2  ALA  85           HB2      ALA  85 -11.276   7.260   4.894
  648    HB3  ALA  85           HB3      ALA  85 -12.126   8.694   5.528
  649    H    ALA  86           H        ALA  86 -15.401   7.689   6.299
  650    HA   ALA  86           HA       ALA  86 -15.224   8.160   9.228
  651    HB1  ALA  86           HB1      ALA  86 -14.953  10.287   8.051
  652    HB2  ALA  86           HB2      ALA  86 -16.464  10.004   7.152
  653    HB3  ALA  86           HB3      ALA  86 -16.500  10.240   8.921
  654    H    GLU  87           H        GLU  87 -16.496   6.092   7.199
  655    HA   GLU  87           HA       GLU  87 -19.148   6.091   8.543
  656    HB2  GLU  87           HB2      GLU  87 -18.736   5.525   5.592
  657    HB3  GLU  87           HB3      GLU  87 -20.273   5.526   6.478
  658    HG2  GLU  87           HG2      GLU  87 -19.944   7.946   6.995
  659    HG3  GLU  87           HG3      GLU  87 -18.482   7.938   5.991
  660    HA   PRO  88           HA       PRO  88 -16.713   1.999   8.232
  661    HB2  PRO  88           HB2      PRO  88 -16.235   1.533  10.911
  662    HB3  PRO  88           HB3      PRO  88 -15.127   2.434   9.837
  663    HG2  PRO  88           HG2      PRO  88 -17.246   3.561  11.700
  664    HG3  PRO  88           HG3      PRO  88 -15.527   4.066  11.542
  665    HD2  PRO  88           HD2      PRO  88 -17.485   5.428  10.286
  666    HD3  PRO  88           HD3      PRO  88 -15.933   5.099   9.448
  667    H    LYS  89           H        LYS  89 -17.805   0.141   8.232
  668    HA   LYS  89           HA       LYS  89 -20.193  -0.165   9.992
  669    HB2  LYS  89           HB2      LYS  89 -20.765   0.567   7.668
  670    HB3  LYS  89           HB3      LYS  89 -19.992  -0.900   7.045
  671    HG2  LYS  89           HG2      LYS  89 -21.603  -2.289   8.323
  672    HG3  LYS  89           HG3      LYS  89 -22.375  -0.817   8.951
  673    HD2  LYS  89           HD2      LYS  89 -22.150  -1.574   6.007
  674    HD3  LYS  89           HD3      LYS  89 -23.598  -1.800   7.020
  675    HE2  LYS  89           HE2      LYS  89 -23.680   0.649   7.424
  676    HE3  LYS  89           HE3      LYS  89 -22.257   0.864   6.393
  677    HZ1  LYS  89           HZ1      LYS  89 -24.837  -0.258   5.523
  678    HZ2  LYS  89           HZ2      LYS  89 -24.303   1.260   5.198
  679    HZ3  LYS  89           HZ3      LYS  89 -23.520  -0.039   4.565
  680    H    VAL  90           H        VAL  90 -17.227  -1.406   8.808
  681    HA   VAL  90           HA       VAL  90 -17.905  -4.221   9.256
  682    HB   VAL  90           HB       VAL  90 -16.401  -3.472   7.427
  683   HG11  VAL  90          HG11      VAL  90 -15.236  -1.637   8.612
  684   HG12  VAL  90          HG12      VAL  90 -14.451  -2.824   9.680
  685   HG13  VAL  90          HG13      VAL  90 -14.091  -2.814   7.940
  686   HG21  VAL  90          HG21      VAL  90 -16.306  -5.770   8.375
  687   HG22  VAL  90          HG22      VAL  90 -14.758  -5.224   7.699
  688   HG23  VAL  90          HG23      VAL  90 -14.989  -5.249   9.456
  689    H    ASN  91           H        ASN  91 -16.776  -5.545  10.808
  690    HA   ASN  91           HA       ASN  91 -16.823  -4.233  13.397
  691    HB2  ASN  91           HB2      ASN  91 -16.103  -7.116  12.825
  692    HB3  ASN  91           HB3      ASN  91 -16.829  -6.439  14.289
  693   HD21  ASN  91          HD21      ASN  91 -17.366  -7.487  10.968
  694   HD22  ASN  91          HD22      ASN  91 -19.118  -7.488  11.032
  695    H    ARG  92           H        ARG  92 -14.452  -4.396  11.140
  696    HA   ARG  92           HA       ARG  92 -12.201  -4.614  11.075
  697    HB2  ARG  92           HB2      ARG  92 -12.568  -3.024  13.641
  698    HB3  ARG  92           HB3      ARG  92 -10.998  -3.267  12.853
  699    HG2  ARG  92           HG2      ARG  92 -12.004  -2.375  10.716
  700    HG3  ARG  92           HG3      ARG  92 -13.448  -1.923  11.647
  701    HD2  ARG  92           HD2      ARG  92 -10.597  -0.929  12.115
  702    HD3  ARG  92           HD3      ARG  92 -11.893  -0.004  11.377
  703    HE   ARG  92           HE       ARG  92 -13.102  -0.061  13.507
  704   HH11  ARG  92          HH11      ARG  92  -9.653  -0.913  13.629
  705   HH12  ARG  92          HH12      ARG  92  -9.512  -0.520  15.321
  706   HH21  ARG  92          HH21      ARG  92 -12.862   0.435  15.710
  707   HH22  ARG  92          HH22      ARG  92 -11.309   0.236  16.494
  708    H    GLY  93           H        GLY  93 -13.140  -6.967  11.659
  709    HA2  GLY  93           HA2      GLY  93 -12.141  -8.118  14.100
  710    HA3  GLY  93           HA3      GLY  93 -12.781  -8.989  12.688
  711    H    LYS  94           H        LYS  94 -10.386  -6.924  11.591
  712    HA   LYS  94           HA       LYS  94  -8.287  -7.172  10.827
  713    HB2  LYS  94           HB2      LYS  94  -7.864  -8.707  13.392
  714    HB3  LYS  94           HB3      LYS  94  -6.616  -7.932  12.395
  715    HG2  LYS  94           HG2      LYS  94  -7.771  -5.723  12.763
  716    HG3  LYS  94           HG3      LYS  94  -8.862  -6.535  13.906
  717    HD2  LYS  94           HD2      LYS  94  -5.825  -6.374  14.137
  718    HD3  LYS  94           HD3      LYS  94  -6.986  -5.432  15.080
  719    HE2  LYS  94           HE2      LYS  94  -6.788  -8.475  15.090
  720    HE3  LYS  94           HE3      LYS  94  -6.097  -7.409  16.319
  721    HZ1  LYS  94           HZ1      LYS  94  -8.305  -6.624  16.815
  722    HZ2  LYS  94           HZ2      LYS  94  -8.958  -7.605  15.669
  723    HZ3  LYS  94           HZ3      LYS  94  -8.229  -8.249  16.997
  724    H    ALA  95           H        ALA  95 -10.289  -9.555  10.321
  725    HA   ALA  95           HA       ALA  95  -8.229 -11.145   8.966
  726    HB1  ALA  95           HB1      ALA  95 -10.215 -12.379  10.920
  727    HB2  ALA  95           HB2      ALA  95  -9.088 -13.269   9.865
  728    HB3  ALA  95           HB3      ALA  95  -8.460 -12.238  11.165
  729    H    GLY  96           H        GLY  96  -8.985 -12.372   7.290
  730    HA2  GLY  96           HA2      GLY  96 -11.745 -12.705   6.564
  731    HA3  GLY  96           HA3      GLY  96 -10.974 -11.402   5.621
  732    H    VAL  97           H        VAL  97  -9.091 -14.060   6.904
  733    HA   VAL  97           HA       VAL  97  -7.951 -14.575   4.309
  734    HB   VAL  97           HB       VAL  97  -7.584 -16.052   6.942
  735   HG11  VAL  97          HG11      VAL  97  -6.587 -17.192   5.016
  736   HG12  VAL  97          HG12      VAL  97  -5.768 -15.686   4.526
  737   HG13  VAL  97          HG13      VAL  97  -5.317 -16.498   6.043
  738   HG21  VAL  97          HG21      VAL  97  -7.239 -13.648   7.332
  739   HG22  VAL  97          HG22      VAL  97  -5.680 -14.487   7.325
  740   HG23  VAL  97          HG23      VAL  97  -6.187 -13.544   5.901
  741    H    LYS  98           H        LYS  98 -10.447 -16.022   6.272
  742    HA   LYS  98           HA       LYS  98 -10.637 -18.306   4.370
  743    HB2  LYS  98           HB2      LYS  98 -11.083 -18.311   7.378
  744    HB3  LYS  98           HB3      LYS  98 -11.427 -19.677   6.302
  745    HG2  LYS  98           HG2      LYS  98  -8.677 -18.426   6.724
  746    HG3  LYS  98           HG3      LYS  98  -9.260 -19.912   7.492
  747    HD2  LYS  98           HD2      LYS  98  -9.544 -20.964   5.267
  748    HD3  LYS  98           HD3      LYS  98  -8.919 -19.484   4.493
  749    HE2  LYS  98           HE2      LYS  98  -6.801 -19.726   5.736
  750    HE3  LYS  98           HE3      LYS  98  -7.413 -21.196   6.510
  751    HZ1  LYS  98           HZ1      LYS  98  -7.005 -20.830   3.618
  752    HZ2  LYS  98           HZ2      LYS  98  -6.038 -21.700   4.620
  753    HZ3  LYS  98           HZ3      LYS  98  -7.582 -22.193   4.332
  754    H    ARG  99           H        ARG  99 -12.808 -19.247   4.216
  755    HA   ARG  99           HA       ARG  99 -14.817 -17.153   4.028
  756    HB2  ARG  99           HB2      ARG  99 -14.325 -19.238   2.462
  757    HB3  ARG  99           HB3      ARG  99 -15.379 -20.086   3.603
  758    HG2  ARG  99           HG2      ARG  99 -16.713 -19.321   1.752
  759    HG3  ARG  99           HG3      ARG  99 -17.150 -18.346   3.165
  760    HD2  ARG  99           HD2      ARG  99 -15.682 -16.525   2.365
  761    HD3  ARG  99           HD3      ARG  99 -15.201 -17.524   0.979
  762    HE   ARG  99           HE       ARG  99 -17.969 -17.431   0.843
  763   HH11  ARG  99          HH11      ARG  99 -15.376 -15.032   0.884
  764   HH12  ARG  99          HH12      ARG  99 -16.287 -13.857  -0.039
  765   HH21  ARG  99          HH21      ARG  99 -19.134 -15.891  -0.364
  766   HH22  ARG  99          HH22      ARG  99 -18.405 -14.355  -0.761
  767    H    SER 100           H        SER 100 -17.115 -17.658   4.840
  768    HA   SER 100           HA       SER 100 -17.012 -17.958   7.711
  769    HB2  SER 100           HB2      SER 100 -18.566 -16.419   6.564
  770    HB3  SER 100           HB3      SER 100 -19.337 -17.810   5.762
  771    HG   SER 100           HG       SER 100 -20.426 -17.101   7.685
  772    H    ALA 101           H        ALA 101 -18.027 -19.607   8.988
  773    HA   ALA 101           HA       ALA 101 -17.706 -22.252   7.936
  774    HB1  ALA 101           HB1      ALA 101 -19.082 -21.273  10.475
  775    HB2  ALA 101           HB2      ALA 101 -18.582 -22.948  10.144
  776    HB3  ALA 101           HB3      ALA 101 -17.355 -21.671  10.309
  777    H    ALA 102           H        ALA 102 -20.210 -19.997   7.558
  778    HA   ALA 102           HA       ALA 102 -22.282 -22.075   7.110
  779    HB1  ALA 102           HB1      ALA 102 -22.421 -19.042   7.226
  780    HB2  ALA 102           HB2      ALA 102 -23.812 -20.137   7.060
  781    HB3  ALA 102           HB3      ALA 102 -22.844 -20.143   8.559
  782    H    GLU 103           H        GLU 103 -19.881 -20.394   5.438
  783    HA   GLU 103           HA       GLU 103 -21.401 -20.527   2.871
  784    HB2  GLU 103           HB2      GLU 103 -19.132 -18.685   3.706
  785    HB3  GLU 103           HB3      GLU 103 -19.856 -18.732   2.092
  786    HG2  GLU 103           HG2      GLU 103 -21.290 -18.038   4.683
  787    HG3  GLU 103           HG3      GLU 103 -20.732 -16.881   3.466
  788    H    MET 104           H        MET 104 -19.159 -22.157   4.641
  789    HA   MET 104           HA       MET 104 -17.243 -22.728   2.524
  790    HB2  MET 104           HB2      MET 104 -17.671 -23.726   5.334
  791    HB3  MET 104           HB3      MET 104 -16.627 -24.623   4.207
  792    HG2  MET 104           HG2      MET 104 -15.403 -22.580   3.668
  793    HG3  MET 104           HG3      MET 104 -16.335 -21.676   4.860
  794    HE1  MET 104           HE1      MET 104 -13.179 -22.184   4.338
  795    HE2  MET 104           HE2      MET 104 -13.824 -20.961   5.453
  796    HE3  MET 104           HE3      MET 104 -12.566 -22.098   6.018
  797    H    TYR 105           H        TYR 105 -16.858 -25.305   2.295
  798    HA   TYR 105           HA       TYR 105 -18.912 -26.194   0.557
  799    HB2  TYR 105           HB2      TYR 105 -16.711 -27.838   1.840
  800    HB3  TYR 105           HB3      TYR 105 -17.511 -28.141   0.299
  801    HD1  TYR 105           HD1      TYR 105 -16.974 -26.747  -1.682
  802    HD2  TYR 105           HD2      TYR 105 -14.978 -26.163   2.083
  803    HE1  TYR 105           HE1      TYR 105 -15.235 -25.386  -2.819
  804    HE2  TYR 105           HE2      TYR 105 -13.262 -24.773   0.967
  805    HH   TYR 105           HH       TYR 105 -13.322 -24.151  -2.569
  806    H    GLY 106           H        GLY 106 -18.660 -26.462   3.984
  807    HA2  GLY 106           HA2      GLY 106 -20.043 -27.445   5.536
  808    HA3  GLY 106           HA3      GLY 106 -21.128 -27.920   4.219
  809    H5'    A   1           H5'        A   1   2.197 -13.023   8.217
  810   H5''    A   1          H5''        A   1   3.782 -12.837   7.438
  811    H4'    A   1           H4'        A   1   3.240 -12.043  10.334
  812    H3'    A   1           H3'        A   1   1.896 -10.756   8.405
  813    H2'    A   1           H2'        A   1   3.607 -10.606   6.793
  814   HO2'    A   1          HO2'        A   1   3.852  -8.291   8.425
  815    H1'    A   1           H1'        A   1   5.733  -9.714   8.645
  816    H8     A   1           H8         A   1   5.806  -9.681   5.594
  817    H61    A   1           H61        A   1   9.172 -14.765   4.422
  818    H62    A   1           H62        A   1   8.581 -13.255   3.751
  819    H2     A   1           H2         A   1   7.697 -15.103   8.510
  820    H5'    U   2           H5'        U   2   1.203  -7.252   9.158
  821   H5''    U   2          H5''        U   2   0.377  -7.001  10.710
  822    H4'    U   2           H4'        U   2  -1.093  -6.081   9.134
  823    H3'    U   2           H3'        U   2  -1.978  -8.233  10.642
  824    H2'    U   2           H2'        U   2  -1.564  -9.840   8.927
  825   HO2'    U   2          HO2'        U   2  -4.208  -8.854   8.566
  826    H1'    U   2           H1'        U   2  -2.714  -7.944   6.880
  827    H3     U   2           H3         U   2  -2.197 -11.349   3.901
  828    H5     U   2           H5         U   2   1.321 -11.515   6.195
  829    H6     U   2           H6         U   2   0.510  -9.624   7.471
  830    H5'    U   3           H5'        U   3  -6.328  -5.707  10.185
  831   H5''    U   3          H5''        U   3  -5.601  -5.725   8.560
  832    H4'    U   3           H4'        U   3  -5.678  -3.119   8.773
  833    H3'    U   3           H3'        U   3  -6.567  -3.660  11.317
  834    H2'    U   3           H2'        U   3  -8.501  -4.833  10.625
  835   HO2'    U   3          HO2'        U   3  -9.012  -2.613  11.728
  836    H1'    U   3           H1'        U   3  -8.984  -2.711   8.519
  837    H3     U   3           H3         U   3 -12.754  -4.786   7.125
  838    H5     U   3           H5         U   3 -10.382  -7.962   8.527
  839    H6     U   3           H6         U   3  -8.629  -6.347   9.009
  840    H5'    U   4           H5'        U   4  -6.160   0.852   9.753
  841   H5''    U   4          H5''        U   4  -5.368   1.146  11.314
  842    H4'    U   4           H4'        U   4  -5.861   3.270  10.298
  843    H3'    U   4           H3'        U   4  -6.943   2.518  12.873
  844    H2'    U   4           H2'        U   4  -9.162   2.742  12.168
  845   HO2'    U   4          HO2'        U   4  -8.248   5.388  12.654
  846    H1'    U   4           H1'        U   4  -8.179   4.865  10.235
  847    H3     U   4           H3         U   4 -12.255   5.850   8.617
  848    H5     U   4           H5         U   4 -12.608   1.776   9.552
  849    H6     U   4           H6         U   4 -10.333   1.830  10.408
  850    H5'    U   5           H5'        U   5  -3.881   3.326  10.571
  851   H5''    U   5          H5''        U   5  -2.503   3.477  11.676
  852    H4'    U   5           H4'        U   5  -1.674   4.091   9.542
  853    H3'    U   5           H3'        U   5  -1.554   5.896  11.608
  854    H2'    U   5           H2'        U   5  -3.430   7.178  11.005
  855   HO2'    U   5          HO2'        U   5  -1.315   8.430  10.636
  856    H1'    U   5           H1'        U   5  -2.717   6.980   8.091
  857    H3     U   5           H3         U   5  -6.522   8.982   6.826
  858    H5     U   5           H5         U   5  -7.657   7.050  10.386
  859    H6     U   5           H6         U   5  -5.384   6.180  10.554
  860    H5'    U   6           H5'        U   6   1.646   5.306   8.451
  861   H5''    U   6          H5''        U   6   3.107   5.539   9.416
  862    H4'    U   6           H4'        U   6   3.545   5.545   6.970
  863    H3'    U   6           H3'        U   6   4.706   7.206   8.828
  864    H2'    U   6           H2'        U   6   3.217   9.043   8.507
  865   HO2'    U   6          HO2'        U   6   4.311  10.515   7.048
  866    H1'    U   6           H1'        U   6   3.241   8.655   5.521
  867    H3     U   6           H3         U   6   0.912  12.590   6.020
  868    H5     U   6           H5         U   6  -1.531   9.604   7.685
  869    H6     U   6           H6         U   6   0.314   8.067   7.507
  870    H5'    C   7           H5'        C   7   6.982   5.682   9.788
  871   H5''    C   7          H5''        C   7   6.615   7.402   9.498
  872    H4'    C   7           H4'        C   7   9.450   6.293   9.747
  873    H3'    C   7           H3'        C   7   7.856   6.148  11.885
  874    H2'    C   7           H2'        C   7   6.745   8.221  11.516
  875   HO2'    C   7          HO2'        C   7   7.522   8.219  13.683
  876    H1'    C   7           H1'        C   7   9.346   9.701  11.202
  877    H41    C   7           H41        C   7   5.530  13.457   7.549
  878    H42    C   7           H42        C   7   4.369  13.314   8.859
  879    H5     C   7           H5         C   7   4.722  11.823  10.769
  880    H6     C   7           H6         C   7   6.189  10.177  11.729
  Start of MODEL   10
    1    H1   ALA   2           H        ALA   2   1.696  12.703  -6.697
    2    H2   ALA   2           H2       ALA   2   1.394  11.131  -6.277
    3    HA   ALA   2           HA       ALA   2  -0.352  13.425  -5.742
    4    HB1  ALA   2           HB1      ALA   2  -0.654  10.509  -4.907
    5    HB2  ALA   2           HB2      ALA   2  -1.732  11.847  -4.461
    6    HB3  ALA   2           HB3      ALA   2  -1.616  11.341  -6.155
    7    H    SER   3           H        SER   3  -0.708  13.622  -3.282
    8    HA   SER   3           HA       SER   3   1.881  14.006  -2.069
    9    HB2  SER   3           HB2      SER   3  -0.112  15.500  -1.789
   10    HB3  SER   3           HB3      SER   3  -0.886  14.222  -0.828
   11    HG   SER   3           HG       SER   3   0.289  15.811   0.409
   12    H    ASN   4           H        ASN   4   2.055  13.346   0.367
   13    HA   ASN   4           HA       ASN   4   1.678  10.396   0.476
   14    HB2  ASN   4           HB2      ASN   4   4.040  11.312   0.196
   15    HB3  ASN   4           HB3      ASN   4   3.853  12.075   1.780
   16   HD21  ASN   4          HD21      ASN   4   5.617  10.853   2.626
   17   HD22  ASN   4          HD22      ASN   4   5.439   9.151   3.005
   18    H    VAL   5           H        VAL   5  -0.052  12.767   1.536
   19    HA   VAL   5           HA       VAL   5  -0.091  11.856   4.365
   20    HB   VAL   5           HB       VAL   5   0.922  14.151   3.948
   21   HG11  VAL   5          HG11      VAL   5  -0.592  16.006   3.527
   22   HG12  VAL   5          HG12      VAL   5  -0.702  14.841   2.187
   23   HG13  VAL   5          HG13      VAL   5  -1.983  14.906   3.423
   24   HG21  VAL   5          HG21      VAL   5  -0.298  15.163   5.855
   25   HG22  VAL   5          HG22      VAL   5  -1.531  13.881   5.719
   26   HG23  VAL   5          HG23      VAL   5   0.155  13.474   6.139
   27    H    THR   6           H        THR   6  -2.005  11.328   5.207
   28    HA   THR   6           HA       THR   6  -4.482  11.879   3.719
   29    HB   THR   6           HB       THR   6  -5.107   9.505   3.614
   30    HG1  THR   6           HG1      THR   6  -3.781   8.774   5.345
   31   HG21  THR   6          HG21      THR   6  -2.342   9.727   2.386
   32   HG22  THR   6          HG22      THR   6  -3.743   8.791   1.810
   33   HG23  THR   6          HG23      THR   6  -3.765  10.566   1.712
   34    H    ASN   7           H        ASN   7  -3.081  12.186   6.595
   35    HA   ASN   7           HA       ASN   7  -5.243  10.858   8.116
   36    HB2  ASN   7           HB2      ASN   7  -3.810  10.704   9.968
   37    HB3  ASN   7           HB3      ASN   7  -2.870  10.230   8.564
   38   HD21  ASN   7          HD21      ASN   7  -1.274  10.702  10.486
   39   HD22  ASN   7          HD22      ASN   7  -0.569  12.305  10.474
   40    H    LYS   8           H        LYS   8  -5.355  13.599   6.735
   41    HA   LYS   8           HA       LYS   8  -5.639  15.589   8.790
   42    HB2  LYS   8           HB2      LYS   8  -6.613  15.239   5.942
   43    HB3  LYS   8           HB3      LYS   8  -7.238  16.550   6.934
   44    HG2  LYS   8           HG2      LYS   8  -5.404  17.295   5.527
   45    HG3  LYS   8           HG3      LYS   8  -5.035  17.513   7.235
   46    HD2  LYS   8           HD2      LYS   8  -4.084  15.051   5.746
   47    HD3  LYS   8           HD3      LYS   8  -3.212  16.583   5.595
   48    HE2  LYS   8           HE2      LYS   8  -3.787  15.216   8.252
   49    HE3  LYS   8           HE3      LYS   8  -2.267  15.096   7.359
   50    HZ1  LYS   8           HZ1      LYS   8  -2.164  16.784   9.035
   51    HZ2  LYS   8           HZ2      LYS   8  -2.030  17.471   7.543
   52    HZ3  LYS   8           HZ3      LYS   8  -3.441  17.588   8.385
   53    H    THR   9           H        THR   9  -7.879  16.672   9.137
   54    HA   THR   9           HA       THR   9  -9.978  14.607   9.529
   55    HB   THR   9           HB       THR   9 -10.398  15.505  11.815
   56    HG1  THR   9           HG1      THR   9  -8.729  16.721  12.745
   57   HG21  THR   9          HG21      THR   9  -9.086  13.425  11.437
   58   HG22  THR   9          HG22      THR   9  -7.590  14.388  11.404
   59   HG23  THR   9          HG23      THR   9  -8.562  14.299  12.889
   60    H    ASP  10           H        ASP  10  -9.578  16.935   7.631
   61    HA   ASP  10           HA       ASP  10 -11.367  19.021   8.433
   62    HB2  ASP  10           HB2      ASP  10 -10.404  18.083   5.706
   63    HB3  ASP  10           HB3      ASP  10 -11.330  19.560   5.973
   64    HA   PRO  11           HA       PRO  11 -15.286  17.283   7.985
   65    HB2  PRO  11           HB2      PRO  11 -16.809  19.341   6.977
   66    HB3  PRO  11           HB3      PRO  11 -16.131  19.337   8.639
   67    HG2  PRO  11           HG2      PRO  11 -14.975  20.621   6.149
   68    HG3  PRO  11           HG3      PRO  11 -15.230  21.369   7.768
   69    HD2  PRO  11           HD2      PRO  11 -12.816  20.388   7.059
   70    HD3  PRO  11           HD3      PRO  11 -13.443  20.107   8.714
   71    H    ARG  12           H        ARG  12 -13.587  18.170   5.130
   72    HA   ARG  12           HA       ARG  12 -15.544  16.590   3.530
   73    HB2  ARG  12           HB2      ARG  12 -15.062  17.922   1.589
   74    HB3  ARG  12           HB3      ARG  12 -15.586  18.955   2.923
   75    HG2  ARG  12           HG2      ARG  12 -13.835  20.158   2.019
   76    HG3  ARG  12           HG3      ARG  12 -13.033  19.324   3.363
   77    HD2  ARG  12           HD2      ARG  12 -12.167  17.622   1.764
   78    HD3  ARG  12           HD3      ARG  12 -13.047  18.428   0.448
   79    HE   ARG  12           HE       ARG  12 -11.225  20.188   1.895
   80   HH11  ARG  12          HH11      ARG  12 -11.494  17.846  -0.748
   81   HH12  ARG  12          HH12      ARG  12 -10.085  18.459  -1.581
   82   HH21  ARG  12          HH21      ARG  12  -9.401  20.959   0.781
   83   HH22  ARG  12          HH22      ARG  12  -8.912  20.219  -0.724
   84    H    SER  13           H        SER  13 -12.449  16.666   4.850
   85    HA   SER  13           HA       SER  13 -11.273  14.965   2.739
   86    HB2  SER  13           HB2      SER  13  -9.923  16.762   3.792
   87    HB3  SER  13           HB3      SER  13 -10.102  15.943   5.362
   88    HG   SER  13           HG       SER  13  -8.865  14.952   3.014
   89    H    MET  14           H        MET  14 -12.873  14.769   5.854
   90    HA   MET  14           HA       MET  14 -12.029  12.098   6.525
   91    HB2  MET  14           HB2      MET  14 -14.278  13.954   7.346
   92    HB3  MET  14           HB3      MET  14 -14.218  12.293   7.954
   93    HG2  MET  14           HG2      MET  14 -11.664  13.798   8.121
   94    HG3  MET  14           HG3      MET  14 -12.972  14.419   9.128
   95    HE1  MET  14           HE1      MET  14 -12.817  10.542   8.295
   96    HE2  MET  14           HE2      MET  14 -11.107  11.031   8.168
   97    HE3  MET  14           HE3      MET  14 -11.642   9.975   9.496
   98    H    ASN  15           H        ASN  15 -14.043  13.279   4.035
   99    HA   ASN  15           HA       ASN  15 -15.294  10.594   3.756
  100    HB2  ASN  15           HB2      ASN  15 -17.236  11.957   2.684
  101    HB3  ASN  15           HB3      ASN  15 -17.109  11.835   4.443
  102   HD21  ASN  15          HD21      ASN  15 -16.603  13.631   5.691
  103   HD22  ASN  15          HD22      ASN  15 -16.578  15.252   5.032
  104    H    SER  16           H        SER  16 -13.248  12.943   2.340
  105    HA   SER  16           HA       SER  16 -13.741  11.856  -0.364
  106    HB2  SER  16           HB2      SER  16 -12.246  13.566  -1.151
  107    HB3  SER  16           HB3      SER  16 -13.376  14.319   0.004
  108    HG   SER  16           HG       SER  16 -11.267  14.961   0.425
  109    H    ARG  17           H        ARG  17 -12.453  10.643   2.240
  110    HA   ARG  17           HA       ARG  17  -9.900   9.641   1.070
  111    HB2  ARG  17           HB2      ARG  17  -9.847  10.980   3.128
  112    HB3  ARG  17           HB3      ARG  17 -10.883   9.793   3.933
  113    HG2  ARG  17           HG2      ARG  17  -9.110   8.048   3.580
  114    HG3  ARG  17           HG3      ARG  17  -8.076   9.299   2.840
  115    HD2  ARG  17           HD2      ARG  17  -9.152   9.205   5.683
  116    HD3  ARG  17           HD3      ARG  17  -7.453   9.129   5.166
  117    HE   ARG  17           HE       ARG  17  -8.256  11.517   4.136
  118   HH11  ARG  17          HH11      ARG  17  -8.540  10.169   7.414
  119   HH12  ARG  17          HH12      ARG  17  -8.575  11.753   8.149
  120   HH21  ARG  17          HH21      ARG  17  -8.415  13.538   5.156
  121   HH22  ARG  17          HH22      ARG  17  -8.484  13.610   6.907
  122    H    VAL  18           H        VAL  18  -9.397   7.423   1.331
  123    HA   VAL  18           HA       VAL  18 -11.759   5.621   1.696
  124    HB   VAL  18           HB       VAL  18  -9.416   5.251  -0.203
  125   HG11  VAL  18          HG11      VAL  18 -10.844   3.465  -1.142
  126   HG12  VAL  18          HG12      VAL  18 -10.434   3.166   0.556
  127   HG13  VAL  18          HG13      VAL  18 -12.052   3.770   0.132
  128   HG21  VAL  18          HG21      VAL  18 -12.260   6.157  -0.823
  129   HG22  VAL  18          HG22      VAL  18 -10.782   7.125  -1.028
  130   HG23  VAL  18          HG23      VAL  18 -11.022   5.676  -2.018
  131    H    PHE  19           H        PHE  19 -11.487   4.091   3.214
  132    HA   PHE  19           HA       PHE  19  -8.745   3.526   4.212
  133    HB2  PHE  19           HB2      PHE  19 -10.361   4.108   5.921
  134    HB3  PHE  19           HB3      PHE  19 -11.512   2.931   5.291
  135    HD1  PHE  19           HD2      PHE  19  -7.835   2.705   6.107
  136    HD2  PHE  19           HD1      PHE  19 -11.806   1.231   6.832
  137    HE1  PHE  19           HE2      PHE  19  -6.917   0.957   7.605
  138    HE2  PHE  19           HE1      PHE  19 -10.895  -0.511   8.325
  139    HZ   PHE  19           HZ       PHE  19  -8.443  -0.668   8.706
  140    H    ILE  20           H        ILE  20  -7.812   1.549   3.854
  141    HA   ILE  20           HA       ILE  20  -9.417  -0.495   2.367
  142    HB   ILE  20           HB       ILE  20  -6.535   0.348   1.869
  143   HG12  ILE  20          HG12      ILE  20  -8.908   0.739   0.013
  144   HG13  ILE  20          HG13      ILE  20  -8.340   1.997   1.121
  145   HG21  ILE  20          HG21      ILE  20  -6.673  -1.200  -0.051
  146   HG22  ILE  20          HG22      ILE  20  -7.008  -2.065   1.458
  147   HG23  ILE  20          HG23      ILE  20  -8.344  -1.612   0.378
  148   HD11  ILE  20          HD11      ILE  20  -6.653   0.689  -1.061
  149   HD12  ILE  20          HD12      ILE  20  -7.368   2.315  -1.109
  150   HD13  ILE  20          HD13      ILE  20  -6.098   1.936   0.071
  151    H    GLY  21           H        GLY  21  -9.629  -2.092   3.852
  152    HA2  GLY  21           HA2      GLY  21  -7.344  -2.669   5.684
  153    HA3  GLY  21           HA3      GLY  21  -9.039  -3.020   6.009
  154    H    ASN  22           H        ASN  22  -7.258  -4.952   6.447
  155    HA   ASN  22           HA       ASN  22  -6.622  -7.038   6.043
  156    HB2  ASN  22           HB2      ASN  22  -9.149  -7.186   6.006
  157    HB3  ASN  22           HB3      ASN  22  -9.052  -7.280   4.244
  158   HD21  ASN  22          HD21      ASN  22  -8.460  -9.253   3.280
  159   HD22  ASN  22          HD22      ASN  22  -8.127 -10.702   4.208
  160    H    LEU  23           H        LEU  23  -5.595  -4.949   4.202
  161    HA   LEU  23           HA       LEU  23  -5.570  -5.950   1.523
  162    HB2  LEU  23           HB2      LEU  23  -5.354  -3.579   2.155
  163    HB3  LEU  23           HB3      LEU  23  -3.815  -3.920   2.947
  164    HG   LEU  23           HG       LEU  23  -2.823  -4.555   0.762
  165   HD11  LEU  23          HD11      LEU  23  -5.514  -3.693  -0.383
  166   HD12  LEU  23          HD12      LEU  23  -4.061  -4.100  -1.324
  167   HD13  LEU  23          HD13      LEU  23  -4.880  -5.356  -0.377
  168   HD21  LEU  23          HD21      LEU  23  -2.891  -2.274  -0.248
  169   HD22  LEU  23          HD22      LEU  23  -2.682  -2.219   1.521
  170   HD23  LEU  23          HD23      LEU  23  -4.267  -1.872   0.793
  171    H    ASN  24           H        ASN  24  -3.940  -6.881   0.314
  172    HA   ASN  24           HA       ASN  24  -2.208  -8.778   1.597
  173    HB2  ASN  24           HB2      ASN  24  -1.604  -9.229  -0.804
  174    HB3  ASN  24           HB3      ASN  24  -3.352  -9.275  -0.484
  175   HD21  ASN  24          HD21      ASN  24  -0.741  -7.418  -1.977
  176   HD22  ASN  24          HD22      ASN  24  -1.786  -6.395  -2.951
  177    H    THR  25           H        THR  25  -1.279  -6.624   2.795
  178    HA   THR  25           HA       THR  25   0.443  -4.938   1.303
  179    HB   THR  25           HB       THR  25   1.170  -4.118   3.513
  180    HG1  THR  25           HG1      THR  25   1.217  -6.136   4.584
  181   HG21  THR  25          HG21      THR  25  -1.047  -3.452   2.552
  182   HG22  THR  25          HG22      THR  25  -1.806  -4.792   3.446
  183   HG23  THR  25          HG23      THR  25  -1.044  -3.453   4.332
  184    H    LEU  26           H        LEU  26   1.017  -8.166   1.790
  185    HA   LEU  26           HA       LEU  26   3.900  -7.860   2.291
  186    HB2  LEU  26           HB2      LEU  26   2.442 -10.357   1.370
  187    HB3  LEU  26           HB3      LEU  26   4.033 -10.228   2.134
  188    HG   LEU  26           HG       LEU  26   1.293  -9.937   3.368
  189   HD11  LEU  26          HD11      LEU  26   3.811 -11.554   3.963
  190   HD12  LEU  26          HD12      LEU  26   2.319 -11.645   4.916
  191   HD13  LEU  26          HD13      LEU  26   2.319 -12.164   3.212
  192   HD21  LEU  26          HD21      LEU  26   2.327  -9.241   5.470
  193   HD22  LEU  26          HD22      LEU  26   2.608  -8.016   4.222
  194   HD23  LEU  26          HD23      LEU  26   3.922  -9.127   4.672
  195    H    VAL  27           H        VAL  27   1.771  -7.628  -0.365
  196    HA   VAL  27           HA       VAL  27   4.008  -8.091  -2.288
  197    HB   VAL  27           HB       VAL  27   1.078  -8.841  -2.641
  198   HG11  VAL  27          HG11      VAL  27   3.533  -9.320  -4.393
  199   HG12  VAL  27          HG12      VAL  27   1.925 -10.021  -4.678
  200   HG13  VAL  27          HG13      VAL  27   2.148  -8.265  -4.782
  201   HG21  VAL  27          HG21      VAL  27   2.163 -10.370  -1.062
  202   HG22  VAL  27          HG22      VAL  27   1.912 -11.184  -2.614
  203   HG23  VAL  27          HG23      VAL  27   3.529 -10.586  -2.179
  204    H    VAL  28           H        VAL  28   1.310  -6.109  -1.190
  205    HA   VAL  28           HA       VAL  28   1.283  -4.505  -3.613
  206    HB   VAL  28           HB       VAL  28  -0.536  -4.968  -1.627
  207   HG11  VAL  28          HG11      VAL  28   0.412  -2.117  -1.170
  208   HG12  VAL  28          HG12      VAL  28  -0.902  -2.980  -0.347
  209   HG13  VAL  28          HG13      VAL  28   0.785  -3.468  -0.069
  210   HG21  VAL  28          HG21      VAL  28  -0.944  -4.132  -3.915
  211   HG22  VAL  28          HG22      VAL  28  -1.863  -3.222  -2.697
  212   HG23  VAL  28          HG23      VAL  28  -0.395  -2.512  -3.410
  213    H    LYS  29           H        LYS  29   1.819  -2.209  -3.623
  214    HA   LYS  29           HA       LYS  29   3.677  -1.284  -1.524
  215    HB2  LYS  29           HB2      LYS  29   4.974  -0.230  -3.595
  216    HB3  LYS  29           HB3      LYS  29   5.386  -1.821  -2.959
  217    HG2  LYS  29           HG2      LYS  29   3.301  -1.721  -5.107
  218    HG3  LYS  29           HG3      LYS  29   4.972  -1.369  -5.579
  219    HD2  LYS  29           HD2      LYS  29   5.782  -3.466  -4.818
  220    HD3  LYS  29           HD3      LYS  29   4.326  -3.798  -3.881
  221    HE2  LYS  29           HE2      LYS  29   4.390  -5.140  -5.946
  222    HE3  LYS  29           HE3      LYS  29   3.000  -4.051  -5.894
  223    HZ1  LYS  29           HZ1      LYS  29   4.117  -4.079  -8.034
  224    HZ2  LYS  29           HZ2      LYS  29   4.095  -2.588  -7.369
  225    HZ3  LYS  29           HZ3      LYS  29   5.492  -3.479  -7.356
  226    H    LYS  30           H        LYS  30   4.164   1.172  -1.995
  227    HA   LYS  30           HA       LYS  30   1.652   2.510  -1.920
  228    HB2  LYS  30           HB2      LYS  30   3.660   3.448  -0.890
  229    HB3  LYS  30           HB3      LYS  30   4.437   3.610  -2.486
  230    HG2  LYS  30           HG2      LYS  30   2.732   5.178  -3.222
  231    HG3  LYS  30           HG3      LYS  30   1.777   4.898  -1.752
  232    HD2  LYS  30           HD2      LYS  30   3.551   5.918  -0.392
  233    HD3  LYS  30           HD3      LYS  30   4.566   6.126  -1.841
  234    HE2  LYS  30           HE2      LYS  30   2.823   7.545  -2.868
  235    HE3  LYS  30           HE3      LYS  30   1.792   7.331  -1.448
  236    HZ1  LYS  30           HZ1      LYS  30   2.995   9.403  -1.391
  237    HZ2  LYS  30           HZ2      LYS  30   3.452   8.433  -0.143
  238    HZ3  LYS  30           HZ3      LYS  30   4.439   8.614  -1.456
  239    H    SER  31           H        SER  31   3.856   1.769  -4.581
  240    HA   SER  31           HA       SER  31   2.632   3.597  -6.466
  241    HB2  SER  31           HB2      SER  31   4.477   1.216  -6.910
  242    HB3  SER  31           HB3      SER  31   4.115   2.497  -8.087
  243    HG   SER  31           HG       SER  31   6.064   2.877  -6.941
  244    H    ASP  32           H        ASP  32   1.637   0.604  -5.158
  245    HA   ASP  32           HA       ASP  32   0.174  -0.177  -7.604
  246    HB2  ASP  32           HB2      ASP  32   0.946  -1.485  -5.015
  247    HB3  ASP  32           HB3      ASP  32  -0.525  -2.032  -5.804
  248    H    VAL  33           H        VAL  33  -0.388   0.964  -4.219
  249    HA   VAL  33           HA       VAL  33  -3.236   0.714  -4.414
  250    HB   VAL  33           HB       VAL  33  -1.563   2.560  -2.659
  251   HG11  VAL  33          HG11      VAL  33  -4.416   1.530  -2.371
  252   HG12  VAL  33          HG12      VAL  33  -3.537   2.509  -1.176
  253   HG13  VAL  33          HG13      VAL  33  -3.942   3.206  -2.757
  254   HG21  VAL  33          HG21      VAL  33  -0.947   0.182  -2.368
  255   HG22  VAL  33          HG22      VAL  33  -1.851   0.774  -0.958
  256   HG23  VAL  33          HG23      VAL  33  -2.664  -0.243  -2.169
  257    H    GLU  34           H        GLU  34  -0.938   3.300  -5.295
  258    HA   GLU  34           HA       GLU  34  -3.085   5.146  -5.974
  259    HB2  GLU  34           HB2      GLU  34  -1.316   6.630  -6.690
  260    HB3  GLU  34           HB3      GLU  34  -0.903   5.926  -5.117
  261    HG2  GLU  34           HG2      GLU  34   0.579   4.295  -6.231
  262    HG3  GLU  34           HG3      GLU  34   0.132   4.947  -7.812
  263    H    ALA  35           H        ALA  35  -2.156   2.338  -7.423
  264    HA   ALA  35           HA       ALA  35  -2.714   3.385 -10.158
  265    HB1  ALA  35           HB1      ALA  35  -1.169   0.906  -9.289
  266    HB2  ALA  35           HB2      ALA  35  -1.469   1.420 -10.964
  267    HB3  ALA  35           HB3      ALA  35  -0.459   2.418  -9.890
  268    H    ILE  36           H        ILE  36  -3.999   1.662  -7.541
  269    HA   ILE  36           HA       ILE  36  -5.787   0.013  -9.267
  270    HB   ILE  36           HB       ILE  36  -4.998  -0.106  -6.346
  271   HG12  ILE  36          HG12      ILE  36  -4.674  -2.218  -8.512
  272   HG13  ILE  36          HG13      ILE  36  -3.468  -0.951  -8.275
  273   HG21  ILE  36          HG21      ILE  36  -6.979  -1.829  -7.889
  274   HG22  ILE  36          HG22      ILE  36  -6.373  -2.191  -6.255
  275   HG23  ILE  36          HG23      ILE  36  -7.361  -0.748  -6.524
  276   HD11  ILE  36          HD11      ILE  36  -2.779  -2.897  -7.023
  277   HD12  ILE  36          HD12      ILE  36  -3.264  -1.624  -5.876
  278   HD13  ILE  36          HD13      ILE  36  -4.355  -2.994  -6.201
  279    H    PHE  37           H        PHE  37  -5.660   2.815  -7.174
  280    HA   PHE  37           HA       PHE  37  -8.644   2.938  -7.156
  281    HB2  PHE  37           HB2      PHE  37  -6.540   4.077  -5.304
  282    HB3  PHE  37           HB3      PHE  37  -8.236   4.569  -5.264
  283    HD1  PHE  37           HD1      PHE  37  -6.120   1.458  -5.123
  284    HD2  PHE  37           HD2      PHE  37  -9.738   3.441  -3.913
  285    HE1  PHE  37           HE1      PHE  37  -6.707  -0.483  -3.721
  286    HE2  PHE  37           HE2      PHE  37 -10.329   1.489  -2.493
  287    HZ   PHE  37           HZ       PHE  37  -8.795  -0.477  -2.391
  288    H    SER  38           H        SER  38  -5.947   4.229  -8.773
  289    HA   SER  38           HA       SER  38  -6.970   6.942  -8.992
  290    HB2  SER  38           HB2      SER  38  -4.584   6.421  -9.148
  291    HB3  SER  38           HB3      SER  38  -4.874   5.461 -10.616
  292    HG   SER  38           HG       SER  38  -4.199   7.620 -11.053
  293    H    LYS  39           H        LYS  39  -7.972   3.975 -10.308
  294    HA   LYS  39           HA       LYS  39  -8.870   5.055 -12.882
  295    HB2  LYS  39           HB2      LYS  39  -9.764   2.818 -13.244
  296    HB3  LYS  39           HB3      LYS  39  -8.092   2.709 -12.660
  297    HG2  LYS  39           HG2      LYS  39  -8.887   2.210 -10.394
  298    HG3  LYS  39           HG3      LYS  39 -10.577   2.443 -10.902
  299    HD2  LYS  39           HD2      LYS  39 -10.360   0.561 -12.493
  300    HD3  LYS  39           HD3      LYS  39  -8.688   0.291 -11.940
  301    HE2  LYS  39           HE2      LYS  39  -9.486  -0.124  -9.661
  302    HE3  LYS  39           HE3      LYS  39 -11.145   0.261 -10.140
  303    HZ1  LYS  39           HZ1      LYS  39 -11.089  -1.620 -11.631
  304    HZ2  LYS  39           HZ2      LYS  39  -9.567  -2.016 -11.137
  305    HZ3  LYS  39           HZ3      LYS  39 -10.824  -2.073 -10.072
  306    H    TYR  40           H        TYR  40  -9.971   5.371  -9.740
  307    HA   TYR  40           HA       TYR  40 -12.810   5.590 -10.625
  308    HB2  TYR  40           HB2      TYR  40 -11.547   4.425  -8.173
  309    HB3  TYR  40           HB3      TYR  40 -13.092   5.239  -7.995
  310    HD1  TYR  40           HD2      TYR  40 -14.796   4.612 -10.094
  311    HD2  TYR  40           HD1      TYR  40 -11.763   2.099  -8.368
  312    HE1  TYR  40           HE2      TYR  40 -16.028   2.605 -10.871
  313    HE2  TYR  40           HE1      TYR  40 -13.012   0.081  -9.128
  314    HH   TYR  40           HH       TYR  40 -14.843  -0.713 -10.241
  315    H    GLY  41           H        GLY  41 -10.135   7.430  -9.808
  316    HA2  GLY  41           HA2      GLY  41 -11.576   9.831  -9.697
  317    HA3  GLY  41           HA3      GLY  41 -11.323   9.320  -8.022
  318    H    LYS  42           H        LYS  42 -10.260  11.703  -8.954
  319    HA   LYS  42           HA       LYS  42  -7.445  11.351  -9.632
  320    HB2  LYS  42           HB2      LYS  42  -8.498  13.363 -10.395
  321    HB3  LYS  42           HB3      LYS  42  -9.192  13.691  -8.798
  322    HG2  LYS  42           HG2      LYS  42  -7.289  15.182  -9.220
  323    HG3  LYS  42           HG3      LYS  42  -6.975  14.109  -7.857
  324    HD2  LYS  42           HD2      LYS  42  -5.655  12.608  -9.396
  325    HD3  LYS  42           HD3      LYS  42  -5.883  13.813 -10.686
  326    HE2  LYS  42           HE2      LYS  42  -4.807  15.524  -9.251
  327    HE3  LYS  42           HE3      LYS  42  -4.625  14.328  -7.957
  328    HZ1  LYS  42           HZ1      LYS  42  -3.195  13.061  -9.406
  329    HZ2  LYS  42           HZ2      LYS  42  -3.386  14.158 -10.621
  330    HZ3  LYS  42           HZ3      LYS  42  -2.608  14.585  -9.240
  331    H    ILE  43           H        ILE  43  -6.061  10.498  -8.176
  332    HA   ILE  43           HA       ILE  43  -6.586  10.818  -5.312
  333    HB   ILE  43           HB       ILE  43  -4.371   9.419  -6.853
  334   HG12  ILE  43          HG12      ILE  43  -6.837   8.443  -5.336
  335   HG13  ILE  43          HG13      ILE  43  -6.585   8.374  -7.088
  336   HG21  ILE  43          HG21      ILE  43  -4.998   9.399  -3.872
  337   HG22  ILE  43          HG22      ILE  43  -3.717   8.459  -4.682
  338   HG23  ILE  43          HG23      ILE  43  -3.599  10.216  -4.622
  339   HD11  ILE  43          HD11      ILE  43  -6.227   6.181  -6.086
  340   HD12  ILE  43          HD12      ILE  43  -4.701   6.799  -6.760
  341   HD13  ILE  43          HD13      ILE  43  -4.996   6.825  -5.002
  342    H    VAL  44           H        VAL  44  -5.795  12.367  -4.089
  343    HA   VAL  44           HA       VAL  44  -3.575  14.070  -5.122
  344    HB   VAL  44           HB       VAL  44  -4.602  15.813  -3.563
  345   HG11  VAL  44          HG11      VAL  44  -6.254  14.856  -5.938
  346   HG12  VAL  44          HG12      VAL  44  -6.231  16.498  -5.252
  347   HG13  VAL  44          HG13      VAL  44  -4.775  15.840  -6.035
  348   HG21  VAL  44          HG21      VAL  44  -7.015  13.957  -3.783
  349   HG22  VAL  44          HG22      VAL  44  -6.083  14.230  -2.288
  350   HG23  VAL  44          HG23      VAL  44  -6.984  15.566  -3.035
  351    H    GLY  45           H        GLY  45  -4.235  11.638  -2.985
  352    HA2  GLY  45           HA2      GLY  45  -1.723  12.076  -1.615
  353    HA3  GLY  45           HA3      GLY  45  -3.116  12.236  -0.533
  354    H    CYS  46           H        CYS  46  -0.955  10.099  -0.739
  355    HA   CYS  46           HA       CYS  46  -2.800   7.839  -0.489
  356    HB2  CYS  46           HB2      CYS  46  -2.332   7.917  -2.932
  357    HB3  CYS  46           HB3      CYS  46  -0.592   7.818  -2.596
  358    HG   CYS  46           HG       CYS  46  -2.945   5.697  -1.651
  359    H    SER  47           H        SER  47  -2.004   6.193   0.762
  360    HA   SER  47           HA       SER  47   0.857   6.021   1.378
  361    HB2  SER  47           HB2      SER  47   0.530   6.190   3.802
  362    HB3  SER  47           HB3      SER  47   0.043   7.700   3.010
  363    HG   SER  47           HG       SER  47  -1.587   7.192   4.384
  364    H    VAL  48           H        VAL  48   1.348   4.018   2.580
  365    HA   VAL  48           HA       VAL  48  -0.855   2.063   2.700
  366    HB   VAL  48           HB       VAL  48  -0.052   1.817   0.446
  367   HG11  VAL  48          HG11      VAL  48   2.722   1.431   1.637
  368   HG12  VAL  48          HG12      VAL  48   2.263   1.165  -0.062
  369   HG13  VAL  48          HG13      VAL  48   2.175   2.795   0.624
  370   HG21  VAL  48          HG21      VAL  48   1.109  -0.439   2.127
  371   HG22  VAL  48          HG22      VAL  48  -0.618  -0.244   1.737
  372   HG23  VAL  48          HG23      VAL  48   0.562  -0.517   0.440
  373    H    HIS  49           H        HIS  49  -0.433   0.305   4.084
  374    HA   HIS  49           HA       HIS  49   1.873   0.668   5.917
  375    HB2  HIS  49           HB2      HIS  49  -1.019   0.404   6.809
  376    HB3  HIS  49           HB3      HIS  49   0.385   0.770   7.813
  377    HD2  HIS  49           HD3      HIS  49  -2.191   2.382   5.521
  378    HE1  HIS  49           HE1      HIS  49   0.315   5.549   6.851
  379    HE2  HIS  49           HE2      HIS  49  -1.822   4.975   5.585
  380    H    LYS  50           H        LYS  50   1.097  -1.202   7.841
  381    HA   LYS  50           HA       LYS  50   1.049  -3.747   6.334
  382    HB2  LYS  50           HB2      LYS  50   1.590  -2.931   9.199
  383    HB3  LYS  50           HB3      LYS  50   1.157  -4.600   8.828
  384    HG2  LYS  50           HG2      LYS  50   3.476  -3.145   7.491
  385    HG3  LYS  50           HG3      LYS  50   3.614  -4.195   8.918
  386    HD2  LYS  50           HD2      LYS  50   2.512  -6.043   7.578
  387    HD3  LYS  50           HD3      LYS  50   2.626  -5.001   6.145
  388    HE2  LYS  50           HE2      LYS  50   4.485  -6.552   6.181
  389    HE3  LYS  50           HE3      LYS  50   5.084  -4.898   6.428
  390    HZ1  LYS  50           HZ1      LYS  50   4.642  -6.940   8.507
  391    HZ2  LYS  50           HZ2      LYS  50   6.101  -6.447   7.941
  392    HZ3  LYS  50           HZ3      LYS  50   5.163  -5.406   8.803
  393    H    GLY  51           H        GLY  51  -0.714  -4.905   6.011
  394    HA2  GLY  51           HA2      GLY  51  -2.790  -5.820   6.284
  395    HA3  GLY  51           HA3      GLY  51  -2.877  -5.084   7.892
  396    H    PHE  52           H        PHE  52  -2.306  -2.372   6.200
  397    HA   PHE  52           HA       PHE  52  -4.918  -2.110   4.905
  398    HB2  PHE  52           HB2      PHE  52  -5.648  -0.227   6.266
  399    HB3  PHE  52           HB3      PHE  52  -5.524  -1.688   7.236
  400    HD1  PHE  52           HD1      PHE  52  -3.708  -1.945   8.903
  401    HD2  PHE  52           HD2      PHE  52  -4.259   1.696   6.683
  402    HE1  PHE  52           HE1      PHE  52  -2.269  -0.740  10.519
  403    HE2  PHE  52           HE2      PHE  52  -2.827   2.899   8.301
  404    HZ   PHE  52           HZ       PHE  52  -1.810   1.679  10.213
  405    H    ALA  53           H        ALA  53  -5.216   0.196   4.094
  406    HA   ALA  53           HA       ALA  53  -2.763   1.763   3.690
  407    HB1  ALA  53           HB1      ALA  53  -4.351   0.582   1.370
  408    HB2  ALA  53           HB2      ALA  53  -3.002   1.738   1.241
  409    HB3  ALA  53           HB3      ALA  53  -2.713   0.097   1.863
  410    H    PHE  54           H        PHE  54  -3.351   3.828   2.428
  411    HA   PHE  54           HA       PHE  54  -6.198   4.583   2.777
  412    HB2  PHE  54           HB2      PHE  54  -3.807   5.725   4.166
  413    HB3  PHE  54           HB3      PHE  54  -5.024   6.857   3.572
  414    HD1  PHE  54           HD2      PHE  54  -7.456   6.477   4.173
  415    HD2  PHE  54           HD1      PHE  54  -4.183   4.625   6.262
  416    HE1  PHE  54           HE2      PHE  54  -8.933   6.073   6.131
  417    HE2  PHE  54           HE1      PHE  54  -5.661   4.195   8.196
  418    HZ   PHE  54           HZ       PHE  54  -8.035   4.931   8.136
  419    H    VAL  55           H        VAL  55  -6.965   6.051   1.361
  420    HA   VAL  55           HA       VAL  55  -5.085   7.194  -0.638
  421    HB   VAL  55           HB       VAL  55  -7.678   5.711  -1.231
  422   HG11  VAL  55          HG11      VAL  55  -5.838   7.322  -3.040
  423   HG12  VAL  55          HG12      VAL  55  -7.146   6.255  -3.603
  424   HG13  VAL  55          HG13      VAL  55  -7.536   7.699  -2.651
  425   HG21  VAL  55          HG21      VAL  55  -5.706   4.249  -0.899
  426   HG22  VAL  55          HG22      VAL  55  -6.195   4.280  -2.604
  427   HG23  VAL  55          HG23      VAL  55  -4.787   5.226  -2.064
  428    H    GLN  56           H        GLN  56  -5.650   9.199  -1.390
  429    HA   GLN  56           HA       GLN  56  -7.937  10.493   0.007
  430    HB2  GLN  56           HB2      GLN  56  -5.273  10.854   0.508
  431    HB3  GLN  56           HB3      GLN  56  -5.540  12.136  -0.667
  432    HG2  GLN  56           HG2      GLN  56  -7.100  11.680   1.914
  433    HG3  GLN  56           HG3      GLN  56  -5.819  12.877   1.689
  434   HE21  GLN  56          HE21      GLN  56  -9.075  11.917   0.556
  435   HE22  GLN  56          HE22      GLN  56  -9.608  13.531   0.160
  436    H    TYR  57           H        TYR  57  -9.399  11.125  -1.409
  437    HA   TYR  57           HA       TYR  57  -8.613  11.763  -4.201
  438    HB2  TYR  57           HB2      TYR  57 -11.300  11.184  -2.910
  439    HB3  TYR  57           HB3      TYR  57 -11.098  11.731  -4.569
  440    HD1  TYR  57           HD1      TYR  57  -8.998  10.256  -5.756
  441    HD2  TYR  57           HD2      TYR  57 -11.834   8.955  -2.815
  442    HE1  TYR  57           HE1      TYR  57  -8.842   7.943  -6.650
  443    HE2  TYR  57           HE2      TYR  57 -11.707   6.630  -3.720
  444    HH   TYR  57           HH       TYR  57  -9.609   5.800  -6.485
  445    H    VAL  58           H        VAL  58 -10.277  13.491  -5.155
  446    HA   VAL  58           HA       VAL  58  -9.600  15.959  -3.782
  447    HB   VAL  58           HB       VAL  58 -11.168  15.375  -6.321
  448   HG11  VAL  58          HG11      VAL  58 -10.091  18.004  -5.218
  449   HG12  VAL  58          HG12      VAL  58 -10.738  17.775  -6.859
  450   HG13  VAL  58          HG13      VAL  58 -11.804  17.592  -5.453
  451   HG21  VAL  58          HG21      VAL  58  -8.320  16.353  -5.868
  452   HG22  VAL  58          HG22      VAL  58  -8.774  14.710  -6.374
  453   HG23  VAL  58          HG23      VAL  58  -9.092  16.088  -7.444
  454    H    ASN  59           H        ASN  59 -12.443  13.870  -4.066
  455    HA   ASN  59           HA       ASN  59 -13.905  15.605  -2.203
  456    HB2  ASN  59           HB2      ASN  59 -15.883  15.744  -3.724
  457    HB3  ASN  59           HB3      ASN  59 -14.468  16.595  -4.368
  458   HD21  ASN  59          HD21      ASN  59 -14.138  16.261  -6.489
  459   HD22  ASN  59          HD22      ASN  59 -14.534  14.783  -7.358
  460    H    GLU  60           H        GLU  60 -16.195  14.649  -1.898
  461    HA   GLU  60           HA       GLU  60 -15.865  12.026  -0.773
  462    HB2  GLU  60           HB2      GLU  60 -17.277  13.617   0.303
  463    HB3  GLU  60           HB3      GLU  60 -18.165  13.968  -1.193
  464    HG2  GLU  60           HG2      GLU  60 -19.212  11.795  -1.186
  465    HG3  GLU  60           HG3      GLU  60 -18.231  11.265   0.182
  466    H    ARG  61           H        ARG  61 -17.283  13.239  -3.768
  467    HA   ARG  61           HA       ARG  61 -18.822  10.946  -4.476
  468    HB2  ARG  61           HB2      ARG  61 -19.416  12.804  -5.653
  469    HB3  ARG  61           HB3      ARG  61 -17.792  13.470  -5.648
  470    HG2  ARG  61           HG2      ARG  61 -18.336  13.041  -7.909
  471    HG3  ARG  61           HG3      ARG  61 -17.091  11.904  -7.421
  472    HD2  ARG  61           HD2      ARG  61 -18.749  10.686  -8.698
  473    HD3  ARG  61           HD3      ARG  61 -18.927  10.198  -6.997
  474    HE   ARG  61           HE       ARG  61 -20.656  12.415  -7.667
  475   HH11  ARG  61          HH11      ARG  61 -20.317   8.907  -7.919
  476   HH12  ARG  61          HH12      ARG  61 -22.041   8.627  -8.035
  477   HH21  ARG  61          HH21      ARG  61 -22.901  12.022  -7.812
  478   HH22  ARG  61          HH22      ARG  61 -23.494  10.386  -7.966
  479    H    ASN  62           H        ASN  62 -15.412  11.845  -5.092
  480    HA   ASN  62           HA       ASN  62 -14.849   9.616  -6.812
  481    HB2  ASN  62           HB2      ASN  62 -13.238  11.578  -5.172
  482    HB3  ASN  62           HB3      ASN  62 -12.446  10.200  -5.964
  483   HD21  ASN  62          HD21      ASN  62 -15.099  12.431  -7.026
  484   HD22  ASN  62          HD22      ASN  62 -14.323  12.832  -8.548
  485    H    ALA  63           H        ALA  63 -14.802  10.086  -3.255
  486    HA   ALA  63           HA       ALA  63 -13.414   7.624  -2.712
  487    HB1  ALA  63           HB1      ALA  63 -13.509   9.446  -1.087
  488    HB2  ALA  63           HB2      ALA  63 -15.276   9.289  -0.983
  489    HB3  ALA  63           HB3      ALA  63 -14.227   7.964  -0.414
  490    H    ARG  64           H        ARG  64 -16.967   8.442  -2.856
  491    HA   ARG  64           HA       ARG  64 -17.760   5.800  -2.135
  492    HB2  ARG  64           HB2      ARG  64 -19.089   8.116  -3.584
  493    HB3  ARG  64           HB3      ARG  64 -19.849   6.524  -3.577
  494    HG2  ARG  64           HG2      ARG  64 -20.814   7.618  -1.756
  495    HG3  ARG  64           HG3      ARG  64 -19.624   6.503  -1.057
  496    HD2  ARG  64           HD2      ARG  64 -18.029   8.410  -0.840
  497    HD3  ARG  64           HD3      ARG  64 -19.270   9.501  -1.480
  498    HE   ARG  64           HE       ARG  64 -19.151   8.282   1.196
  499   HH11  ARG  64          HH11      ARG  64 -21.171   9.972  -1.172
  500   HH12  ARG  64          HH12      ARG  64 -22.355  10.457   0.018
  501   HH21  ARG  64          HH21      ARG  64 -20.740   8.895   2.714
  502   HH22  ARG  64          HH22      ARG  64 -22.088   9.882   2.209
  503    H    ALA  65           H        ALA  65 -16.467   7.138  -5.122
  504    HA   ALA  65           HA       ALA  65 -17.599   5.199  -6.906
  505    HB1  ALA  65           HB1      ALA  65 -14.990   6.742  -7.153
  506    HB2  ALA  65           HB2      ALA  65 -15.912   5.992  -8.468
  507    HB3  ALA  65           HB3      ALA  65 -16.596   7.384  -7.598
  508    H    ALA  66           H        ALA  66 -14.525   5.320  -5.027
  509    HA   ALA  66           HA       ALA  66 -13.812   2.658  -6.070
  510    HB1  ALA  66           HB1      ALA  66 -12.130   4.418  -5.864
  511    HB2  ALA  66           HB2      ALA  66 -12.392   4.479  -4.102
  512    HB3  ALA  66           HB3      ALA  66 -11.733   3.001  -4.855
  513    H    VAL  67           H        VAL  67 -15.162   4.105  -3.133
  514    HA   VAL  67           HA       VAL  67 -14.775   1.808  -1.444
  515    HB   VAL  67           HB       VAL  67 -16.492   4.288  -1.360
  516   HG11  VAL  67          HG11      VAL  67 -16.670   1.915   0.532
  517   HG12  VAL  67          HG12      VAL  67 -17.265   3.554   0.905
  518   HG13  VAL  67          HG13      VAL  67 -17.984   2.627  -0.426
  519   HG21  VAL  67          HG21      VAL  67 -14.360   3.093   0.457
  520   HG22  VAL  67          HG22      VAL  67 -14.101   4.381  -0.748
  521   HG23  VAL  67          HG23      VAL  67 -15.146   4.667   0.664
  522    H    ALA  68           H        ALA  68 -17.047   2.556  -3.992
  523    HA   ALA  68           HA       ALA  68 -18.484   0.012  -3.350
  524    HB1  ALA  68           HB1      ALA  68 -19.366   2.354  -5.073
  525    HB2  ALA  68           HB2      ALA  68 -20.318   0.898  -4.706
  526    HB3  ALA  68           HB3      ALA  68 -19.899   2.037  -3.404
  527    H    GLY  69           H        GLY  69 -16.090   1.329  -5.406
  528    HA2  GLY  69           HA2      GLY  69 -16.841  -0.380  -7.698
  529    HA3  GLY  69           HA3      GLY  69 -15.600   0.882  -7.652
  530    H    GLU  70           H        GLU  70 -14.547  -0.346  -5.003
  531    HA   GLU  70           HA       GLU  70 -13.081  -2.647  -6.256
  532    HB2  GLU  70           HB2      GLU  70 -12.036  -0.373  -4.528
  533    HB3  GLU  70           HB3      GLU  70 -11.103  -1.818  -4.950
  534    HG2  GLU  70           HG2      GLU  70 -12.281   0.084  -7.011
  535    HG3  GLU  70           HG3      GLU  70 -10.642   0.206  -6.368
  536    H    ASP  71           H        ASP  71 -14.996  -1.572  -3.560
  537    HA   ASP  71           HA       ASP  71 -13.762  -3.076  -1.493
  538    HB2  ASP  71           HB2      ASP  71 -15.422  -1.408  -1.000
  539    HB3  ASP  71           HB3      ASP  71 -16.635  -2.247  -1.957
  540    H    GLY  72           H        GLY  72 -13.613  -5.191  -1.062
  541    HA2  GLY  72           HA2      GLY  72 -14.262  -7.402  -0.926
  542    HA3  GLY  72           HA3      GLY  72 -15.656  -7.073  -1.975
  543    H    ARG  73           H        ARG  73 -12.634  -5.905  -3.266
  544    HA   ARG  73           HA       ARG  73 -12.786  -8.036  -5.291
  545    HB2  ARG  73           HB2      ARG  73 -11.607  -6.683  -6.710
  546    HB3  ARG  73           HB3      ARG  73 -12.611  -5.533  -5.804
  547    HG2  ARG  73           HG2      ARG  73 -10.757  -4.752  -4.532
  548    HG3  ARG  73           HG3      ARG  73  -9.741  -6.134  -4.976
  549    HD2  ARG  73           HD2      ARG  73 -10.780  -4.168  -7.035
  550    HD3  ARG  73           HD3      ARG  73  -9.243  -3.950  -6.174
  551    HE   ARG  73           HE       ARG  73  -9.381  -6.587  -7.294
  552   HH11  ARG  73          HH11      ARG  73  -8.898  -3.214  -8.235
  553   HH12  ARG  73          HH12      ARG  73  -7.884  -3.621  -9.601
  554   HH21  ARG  73          HH21      ARG  73  -8.058  -7.086  -9.066
  555   HH22  ARG  73          HH22      ARG  73  -7.433  -5.808 -10.088
  556    H    MET  74           H        MET  74 -10.796  -9.085  -6.094
  557    HA   MET  74           HA       MET  74  -8.982  -9.701  -3.836
  558    HB2  MET  74           HB2      MET  74 -10.008 -11.616  -4.797
  559    HB3  MET  74           HB3      MET  74  -9.552 -11.134  -6.448
  560    HG2  MET  74           HG2      MET  74  -7.286 -11.587  -6.110
  561    HG3  MET  74           HG3      MET  74  -7.417 -11.488  -4.348
  562    HE1  MET  74           HE1      MET  74  -8.078 -13.130  -2.787
  563    HE2  MET  74           HE2      MET  74  -9.725 -13.254  -3.440
  564    HE3  MET  74           HE3      MET  74  -8.786 -14.731  -3.113
  565    H    ILE  75           H        ILE  75  -6.870  -9.312  -3.840
  566    HA   ILE  75           HA       ILE  75  -5.465  -8.439  -6.282
  567    HB   ILE  75           HB       ILE  75  -5.367  -6.906  -3.658
  568   HG12  ILE  75          HG12      ILE  75  -6.676  -6.100  -6.295
  569   HG13  ILE  75          HG13      ILE  75  -7.536  -6.548  -4.812
  570   HG21  ILE  75          HG21      ILE  75  -4.146  -6.278  -6.378
  571   HG22  ILE  75          HG22      ILE  75  -3.990  -5.303  -4.897
  572   HG23  ILE  75          HG23      ILE  75  -3.260  -6.910  -4.970
  573   HD11  ILE  75          HD11      ILE  75  -6.433  -4.633  -3.628
  574   HD12  ILE  75          HD12      ILE  75  -5.748  -4.131  -5.190
  575   HD13  ILE  75          HD13      ILE  75  -7.512  -4.159  -4.960
  576    H    ALA  76           H        ALA  76  -3.408  -9.254  -6.320
  577    HA   ALA  76           HA       ALA  76  -1.731 -10.661  -5.834
  578    HB1  ALA  76           HB1      ALA  76  -1.133  -8.647  -4.502
  579    HB2  ALA  76           HB2      ALA  76  -1.877  -9.415  -3.076
  580    HB3  ALA  76           HB3      ALA  76  -0.461 -10.161  -3.844
  581    H    GLY  77           H        GLY  77  -4.640 -11.571  -4.906
  582    HA2  GLY  77           HA2      GLY  77  -5.024 -13.931  -4.725
  583    HA3  GLY  77           HA3      GLY  77  -3.587 -14.078  -3.703
  584    H    GLN  78           H        GLN  78  -5.053 -11.324  -2.540
  585    HA   GLN  78           HA       GLN  78  -6.926 -12.828  -0.768
  586    HB2  GLN  78           HB2      GLN  78  -4.913 -10.695   0.040
  587    HB3  GLN  78           HB3      GLN  78  -6.218 -11.294   1.061
  588    HG2  GLN  78           HG2      GLN  78  -4.228 -12.427   1.722
  589    HG3  GLN  78           HG3      GLN  78  -5.268 -13.602   0.905
  590   HE21  GLN  78          HE21      GLN  78  -2.919 -11.105  -0.242
  591   HE22  GLN  78          HE22      GLN  78  -1.957 -12.212  -1.208
  592    H    VAL  79           H        VAL  79  -8.521 -11.408   0.281
  593    HA   VAL  79           HA       VAL  79  -9.381  -9.279  -1.616
  594    HB   VAL  79           HB       VAL  79 -10.947 -10.880   0.439
  595   HG11  VAL  79          HG11      VAL  79 -11.899  -8.742  -1.516
  596   HG12  VAL  79          HG12      VAL  79 -12.947  -9.807  -0.571
  597   HG13  VAL  79          HG13      VAL  79 -11.916  -8.631   0.262
  598   HG21  VAL  79          HG21      VAL  79 -10.321 -12.144  -1.596
  599   HG22  VAL  79          HG22      VAL  79 -12.066 -11.796  -1.579
  600   HG23  VAL  79          HG23      VAL  79 -10.988 -10.838  -2.613
  601    H    LEU  80           H        LEU  80 -10.042  -7.299  -0.901
  602    HA   LEU  80           HA       LEU  80  -9.183  -6.537   1.848
  603    HB2  LEU  80           HB2      LEU  80  -8.860  -4.215   0.590
  604    HB3  LEU  80           HB3      LEU  80  -7.567  -5.367   0.851
  605    HG   LEU  80           HG       LEU  80  -7.515  -4.398  -1.377
  606   HD11  LEU  80          HD11      LEU  80  -6.989  -6.321  -2.572
  607   HD12  LEU  80          HD12      LEU  80  -6.687  -6.737  -0.871
  608   HD13  LEU  80          HD13      LEU  80  -8.141  -7.338  -1.719
  609   HD21  LEU  80          HD21      LEU  80  -9.152  -4.883  -3.059
  610   HD22  LEU  80          HD22      LEU  80  -9.964  -4.116  -1.675
  611   HD23  LEU  80          HD23      LEU  80 -10.126  -5.861  -1.934
  612    H    ASP  81           H        ASP  81 -10.360  -5.085   2.937
  613    HA   ASP  81           HA       ASP  81 -13.147  -4.731   1.955
  614    HB2  ASP  81           HB2      ASP  81 -12.913  -6.001   4.018
  615    HB3  ASP  81           HB3      ASP  81 -11.900  -4.731   4.724
  616    H    ILE  82           H        ILE  82 -13.738  -2.750   1.301
  617    HA   ILE  82           HA       ILE  82 -12.010  -0.449   2.101
  618    HB   ILE  82           HB       ILE  82 -13.406  -1.065  -0.511
  619   HG12  ILE  82          HG12      ILE  82 -10.417  -0.815  -0.009
  620   HG13  ILE  82          HG13      ILE  82 -11.254  -2.374   0.106
  621   HG21  ILE  82          HG21      ILE  82 -11.594   1.262   0.227
  622   HG22  ILE  82          HG22      ILE  82 -12.303   0.955  -1.377
  623   HG23  ILE  82          HG23      ILE  82 -13.360   1.347  -0.014
  624   HD11  ILE  82          HD11      ILE  82 -10.285  -2.075  -2.126
  625   HD12  ILE  82          HD12      ILE  82 -12.055  -2.202  -2.172
  626   HD13  ILE  82          HD13      ILE  82 -11.276  -0.617  -2.374
  627    H    ASN  83           H        ASN  83 -13.006   1.397   2.765
  628    HA   ASN  83           HA       ASN  83 -15.864   1.830   2.354
  629    HB2  ASN  83           HB2      ASN  83 -16.446   1.906   4.720
  630    HB3  ASN  83           HB3      ASN  83 -15.915   0.282   4.257
  631   HD21  ASN  83          HD21      ASN  83 -15.103   3.201   6.116
  632   HD22  ASN  83          HD22      ASN  83 -13.809   2.479   7.025
  633    H    LEU  84           H        LEU  84 -16.537   3.971   3.352
  634    HA   LEU  84           HA       LEU  84 -14.570   5.944   2.718
  635    HB2  LEU  84           HB2      LEU  84 -17.342   5.919   3.157
  636    HB3  LEU  84           HB3      LEU  84 -16.695   6.850   4.518
  637    HG   LEU  84           HG       LEU  84 -15.286   8.098   2.671
  638   HD11  LEU  84          HD11      LEU  84 -17.522   6.864   1.027
  639   HD12  LEU  84          HD12      LEU  84 -16.481   8.218   0.513
  640   HD13  LEU  84          HD13      LEU  84 -15.773   6.618   0.821
  641   HD21  LEU  84          HD21      LEU  84 -17.178   9.658   2.308
  642   HD22  LEU  84          HD22      LEU  84 -17.077   9.120   4.004
  643   HD23  LEU  84          HD23      LEU  84 -18.305   8.421   2.921
  644    H    ALA  85           H        ALA  85 -13.439   7.411   4.174
  645    HA   ALA  85           HA       ALA  85 -12.352   5.965   6.386
  646    HB1  ALA  85           HB1      ALA  85 -12.018   8.874   5.589
  647    HB2  ALA  85           HB2      ALA  85 -10.934   7.943   6.666
  648    HB3  ALA  85           HB3      ALA  85 -11.073   7.506   4.950
  649    H    ALA  86           H        ALA  86 -15.249   7.652   6.263
  650    HA   ALA  86           HA       ALA  86 -15.184   8.004   9.216
  651    HB1  ALA  86           HB1      ALA  86 -16.521   9.824   7.176
  652    HB2  ALA  86           HB2      ALA  86 -16.629   9.988   8.942
  653    HB3  ALA  86           HB3      ALA  86 -15.061  10.199   8.130
  654    H    GLU  87           H        GLU  87 -16.269   5.987   6.968
  655    HA   GLU  87           HA       GLU  87 -18.856   5.587   8.352
  656    HB2  GLU  87           HB2      GLU  87 -18.566   5.649   5.322
  657    HB3  GLU  87           HB3      GLU  87 -20.012   5.194   6.241
  658    HG2  GLU  87           HG2      GLU  87 -19.921   7.506   7.314
  659    HG3  GLU  87           HG3      GLU  87 -18.690   7.928   6.115
  660    HA   PRO  88           HA       PRO  88 -16.460   1.642   7.645
  661    HB2  PRO  88           HB2      PRO  88 -15.927   1.001  10.252
  662    HB3  PRO  88           HB3      PRO  88 -14.866   2.054   9.273
  663    HG2  PRO  88           HG2      PRO  88 -16.993   2.879  11.270
  664    HG3  PRO  88           HG3      PRO  88 -15.322   3.518  11.103
  665    HD2  PRO  88           HD2      PRO  88 -17.500   4.787  10.033
  666    HD3  PRO  88           HD3      PRO  88 -15.890   4.804   9.245
  667    H    LYS  89           H        LYS  89 -18.316   0.584   6.974
  668    HA   LYS  89           HA       LYS  89 -20.502   0.066   8.821
  669    HB2  LYS  89           HB2      LYS  89 -20.682   0.475   6.317
  670    HB3  LYS  89           HB3      LYS  89 -19.902  -1.093   6.066
  671    HG2  LYS  89           HG2      LYS  89 -22.340  -1.248   5.842
  672    HG3  LYS  89           HG3      LYS  89 -21.795  -2.204   7.231
  673    HD2  LYS  89           HD2      LYS  89 -22.497  -0.418   8.772
  674    HD3  LYS  89           HD3      LYS  89 -22.901   0.637   7.392
  675    HE2  LYS  89           HE2      LYS  89 -24.567  -0.997   6.624
  676    HE3  LYS  89           HE3      LYS  89 -24.153  -2.067   7.977
  677    HZ1  LYS  89           HZ1      LYS  89 -26.112  -0.751   8.445
  678    HZ2  LYS  89           HZ2      LYS  89 -24.903  -0.340   9.479
  679    HZ3  LYS  89           HZ3      LYS  89 -25.286   0.646   8.219
  680    H    VAL  90           H        VAL  90 -17.434  -1.235   8.282
  681    HA   VAL  90           HA       VAL  90 -18.134  -4.017   8.950
  682    HB   VAL  90           HB       VAL  90 -16.458  -3.389   7.182
  683   HG11  VAL  90          HG11      VAL  90 -14.793  -2.530   9.594
  684   HG12  VAL  90          HG12      VAL  90 -14.206  -2.665   7.925
  685   HG13  VAL  90          HG13      VAL  90 -15.438  -1.455   8.333
  686   HG21  VAL  90          HG21      VAL  90 -16.463  -5.616   8.289
  687   HG22  VAL  90          HG22      VAL  90 -14.855  -5.101   7.744
  688   HG23  VAL  90          HG23      VAL  90 -15.265  -5.015   9.463
  689    H    ASN  91           H        ASN  91 -16.995  -5.129  10.685
  690    HA   ASN  91           HA       ASN  91 -17.063  -3.491  13.125
  691    HB2  ASN  91           HB2      ASN  91 -16.653  -6.485  12.949
  692    HB3  ASN  91           HB3      ASN  91 -17.315  -5.541  14.290
  693   HD21  ASN  91          HD21      ASN  91 -17.914  -6.885  11.089
  694   HD22  ASN  91          HD22      ASN  91 -19.664  -6.742  11.131
  695    H    ARG  92           H        ARG  92 -14.745  -3.972  10.947
  696    HA   ARG  92           HA       ARG  92 -12.519  -4.366  10.864
  697    HB2  ARG  92           HB2      ARG  92 -12.746  -2.752  13.430
  698    HB3  ARG  92           HB3      ARG  92 -11.199  -3.141  12.660
  699    HG2  ARG  92           HG2      ARG  92 -12.058  -2.142  10.521
  700    HG3  ARG  92           HG3      ARG  92 -13.504  -1.600  11.402
  701    HD2  ARG  92           HD2      ARG  92 -10.615  -0.833  12.016
  702    HD3  ARG  92           HD3      ARG  92 -11.791   0.196  11.203
  703    HE   ARG  92           HE       ARG  92 -13.125   0.215  13.277
  704   HH11  ARG  92          HH11      ARG  92  -9.714  -0.770  13.551
  705   HH12  ARG  92          HH12      ARG  92  -9.634  -0.364  15.245
  706   HH21  ARG  92          HH21      ARG  92 -12.957   0.722  15.484
  707   HH22  ARG  92          HH22      ARG  92 -11.448   0.490  16.330
  708    H    GLY  93           H        GLY  93 -13.480  -6.663  11.303
  709    HA2  GLY  93           HA2      GLY  93 -12.722  -7.922  13.776
  710    HA3  GLY  93           HA3      GLY  93 -13.294  -8.719  12.294
  711    H    LYS  94           H        LYS  94 -10.687  -6.769  11.441
  712    HA   LYS  94           HA       LYS  94  -8.575  -7.178  10.809
  713    HB2  LYS  94           HB2      LYS  94  -8.429  -8.781  13.362
  714    HB3  LYS  94           HB3      LYS  94  -7.069  -8.055  12.471
  715    HG2  LYS  94           HG2      LYS  94  -8.097  -5.794  12.829
  716    HG3  LYS  94           HG3      LYS  94  -9.345  -6.544  13.831
  717    HD2  LYS  94           HD2      LYS  94  -6.346  -6.635  14.351
  718    HD3  LYS  94           HD3      LYS  94  -7.507  -5.607  15.208
  719    HE2  LYS  94           HE2      LYS  94  -7.539  -8.655  15.169
  720    HE3  LYS  94           HE3      LYS  94  -6.893  -7.660  16.484
  721    HZ1  LYS  94           HZ1      LYS  94  -9.690  -7.653  15.567
  722    HZ2  LYS  94           HZ2      LYS  94  -9.126  -8.366  16.936
  723    HZ3  LYS  94           HZ3      LYS  94  -9.077  -6.727  16.778
  724    H    ALA  95           H        ALA  95 -10.699  -9.345  10.106
  725    HA   ALA  95           HA       ALA  95  -8.702 -11.189   8.954
  726    HB1  ALA  95           HB1      ALA  95 -11.065 -12.125  10.623
  727    HB2  ALA  95           HB2      ALA  95  -9.932 -13.166   9.733
  728    HB3  ALA  95           HB3      ALA  95  -9.357 -12.197  11.109
  729    H    GLY  96           H        GLY  96  -9.470 -12.356   7.132
  730    HA2  GLY  96           HA2      GLY  96 -11.418 -10.880   5.581
  731    HA3  GLY  96           HA3      GLY  96 -10.460 -12.279   5.059
  732    H    VAL  97           H        VAL  97 -11.942 -13.099   7.959
  733    HA   VAL  97           HA       VAL  97 -13.800 -14.899   6.657
  734    HB   VAL  97           HB       VAL  97 -13.399 -14.176   9.594
  735   HG11  VAL  97          HG11      VAL  97 -14.445 -16.390  10.029
  736   HG12  VAL  97          HG12      VAL  97 -15.568 -15.272   9.235
  737   HG13  VAL  97          HG13      VAL  97 -14.778 -16.559   8.290
  738   HG21  VAL  97          HG21      VAL  97 -12.272 -16.448   7.909
  739   HG22  VAL  97          HG22      VAL  97 -11.346 -15.076   8.563
  740   HG23  VAL  97          HG23      VAL  97 -12.059 -16.257   9.669
  741    H    LYS  98           H        LYS  98 -13.957 -11.685   8.013
  742    HA   LYS  98           HA       LYS  98 -16.868 -11.691   8.286
  743    HB2  LYS  98           HB2      LYS  98 -14.722  -9.552   8.542
  744    HB3  LYS  98           HB3      LYS  98 -16.451  -9.217   8.740
  745    HG2  LYS  98           HG2      LYS  98 -14.854 -11.223  10.388
  746    HG3  LYS  98           HG3      LYS  98 -15.258  -9.572  10.891
  747    HD2  LYS  98           HD2      LYS  98 -17.683 -10.111  10.696
  748    HD3  LYS  98           HD3      LYS  98 -17.269 -11.773  10.236
  749    HE2  LYS  98           HE2      LYS  98 -17.786 -11.784  12.568
  750    HE3  LYS  98           HE3      LYS  98 -16.039 -12.039  12.375
  751    HZ1  LYS  98           HZ1      LYS  98 -15.720  -9.714  12.904
  752    HZ2  LYS  98           HZ2      LYS  98 -17.342  -9.490  13.081
  753    HZ3  LYS  98           HZ3      LYS  98 -16.526 -10.470  14.117
  754    H    ARG  99           H        ARG  99 -18.204 -10.101   7.218
  755    HA   ARG  99           HA       ARG  99 -17.990 -10.353   4.345
  756    HB2  ARG  99           HB2      ARG  99 -19.944  -9.273   6.360
  757    HB3  ARG  99           HB3      ARG  99 -20.087  -8.698   4.703
  758    HG2  ARG  99           HG2      ARG  99 -21.516 -10.678   5.094
  759    HG3  ARG  99           HG3      ARG  99 -20.281 -11.001   3.871
  760    HD2  ARG  99           HD2      ARG  99 -18.904 -12.174   5.529
  761    HD3  ARG  99           HD3      ARG  99 -20.076 -11.778   6.805
  762    HE   ARG  99           HE       ARG  99 -21.604 -13.098   4.948
  763   HH11  ARG  99          HH11      ARG  99 -18.557 -13.895   6.563
  764   HH12  ARG  99          HH12      ARG  99 -18.856 -15.616   6.518
  765   HH21  ARG  99          HH21      ARG  99 -21.945 -15.344   4.885
  766   HH22  ARG  99          HH22      ARG  99 -20.756 -16.433   5.561
  767    H    SER 100           H        SER 100 -18.369  -8.458   2.899
  768    HA   SER 100           HA       SER 100 -16.359  -6.388   3.426
  769    HB2  SER 100           HB2      SER 100 -18.208  -6.828   1.057
  770    HB3  SER 100           HB3      SER 100 -16.792  -5.754   1.104
  771    HG   SER 100           HG       SER 100 -16.386  -7.846   0.173
  772    H    ALA 101           H        ALA 101 -16.870  -4.077   3.248
  773    HA   ALA 101           HA       ALA 101 -18.969  -3.366   4.987
  774    HB1  ALA 101           HB1      ALA 101 -18.314  -1.046   4.393
  775    HB2  ALA 101           HB2      ALA 101 -16.898  -2.080   4.689
  776    HB3  ALA 101           HB3      ALA 101 -17.371  -1.674   3.024
  777    H    ALA 102           H        ALA 102 -19.122  -3.978   1.574
  778    HA   ALA 102           HA       ALA 102 -21.636  -2.428   1.287
  779    HB1  ALA 102           HB1      ALA 102 -19.955  -3.957  -0.716
  780    HB2  ALA 102           HB2      ALA 102 -21.356  -2.923  -1.091
  781    HB3  ALA 102           HB3      ALA 102 -19.867  -2.199  -0.432
  782    H    GLU 103           H        GLU 103 -20.654  -5.513   2.235
  783    HA   GLU 103           HA       GLU 103 -23.203  -6.731   1.306
  784    HB2  GLU 103           HB2      GLU 103 -20.466  -8.042   1.505
  785    HB3  GLU 103           HB3      GLU 103 -21.984  -8.877   1.124
  786    HG2  GLU 103           HG2      GLU 103 -22.275  -7.411  -0.863
  787    HG3  GLU 103           HG3      GLU 103 -20.715  -6.643  -0.511
  788    H    MET 104           H        MET 104 -22.052  -5.405   3.939
  789    HA   MET 104           HA       MET 104 -21.932  -7.494   5.878
  790    HB2  MET 104           HB2      MET 104 -22.780  -4.580   6.152
  791    HB3  MET 104           HB3      MET 104 -22.482  -5.672   7.510
  792    HG2  MET 104           HG2      MET 104 -20.501  -4.670   5.457
  793    HG3  MET 104           HG3      MET 104 -20.549  -4.303   7.180
  794    HE1  MET 104           HE1      MET 104 -21.264  -7.616   7.978
  795    HE2  MET 104           HE2      MET 104 -19.647  -7.970   8.610
  796    HE3  MET 104           HE3      MET 104 -20.428  -6.421   9.010
  797    H    TYR 105           H        TYR 105 -24.643  -5.917   4.289
  798    HA   TYR 105           HA       TYR 105 -26.489  -7.784   5.678
  799    HB2  TYR 105           HB2      TYR 105 -26.938  -4.791   5.366
  800    HB3  TYR 105           HB3      TYR 105 -28.119  -5.954   5.970
  801    HD1  TYR 105           HD2      TYR 105 -25.001  -4.148   6.710
  802    HD2  TYR 105           HD1      TYR 105 -27.946  -6.895   8.200
  803    HE1  TYR 105           HE2      TYR 105 -24.104  -3.848   9.021
  804    HE2  TYR 105           HE1      TYR 105 -27.070  -6.601  10.506
  805    HH   TYR 105           HH       TYR 105 -25.512  -5.560  11.829
  806    H    GLY 106           H        GLY 106 -25.373  -6.291   2.811
  807    HA2  GLY 106           HA2      GLY 106 -26.021  -6.541   0.628
  808    HA3  GLY 106           HA3      GLY 106 -27.218  -7.735   1.157
  809    H5'    A   1           H5'        A   1   1.588 -12.714   8.547
  810   H5''    A   1          H5''        A   1   3.063 -12.595   7.570
  811    H4'    A   1           H4'        A   1   2.869 -11.807  10.518
  812    H3'    A   1           H3'        A   1   1.571 -10.349   8.683
  813    H2'    A   1           H2'        A   1   3.216 -10.503   6.966
  814   HO2'    A   1          HO2'        A   1   2.762  -8.257   7.356
  815    H1'    A   1           H1'        A   1   5.443  -9.721   8.770
  816    H8     A   1           H8         A   1   5.815  -9.484   5.847
  817    H61    A   1           H61        A   1   8.290 -14.935   4.246
  818    H62    A   1           H62        A   1   8.023 -13.276   3.745
  819    H2     A   1           H2         A   1   6.467 -15.454   8.185
  820    H5'    U   2           H5'        U   2   1.052  -6.832   9.605
  821   H5''    U   2          H5''        U   2   0.295  -6.650  11.202
  822    H4'    U   2           H4'        U   2  -1.311  -5.793   9.711
  823    H3'    U   2           H3'        U   2  -2.012  -8.029  11.210
  824    H2'    U   2           H2'        U   2  -1.467  -9.549   9.376
  825   HO2'    U   2          HO2'        U   2  -4.235  -8.882   9.301
  826    H1'    U   2           H1'        U   2  -2.991  -7.555   7.664
  827    H3     U   2           H3         U   2  -2.945 -10.379   4.138
  828    H5     U   2           H5         U   2   0.754 -11.121   6.017
  829    H6     U   2           H6         U   2   0.200  -9.436   7.643
  830    H5'    U   3           H5'        U   3  -6.330  -5.660  10.063
  831   H5''    U   3          H5''        U   3  -5.360  -5.546   8.574
  832    H4'    U   3           H4'        U   3  -5.639  -2.999   8.773
  833    H3'    U   3           H3'        U   3  -6.575  -3.603  11.299
  834    H2'    U   3           H2'        U   3  -8.457  -4.790  10.498
  835   HO2'    U   3          HO2'        U   3  -9.020  -2.560  11.657
  836    H1'    U   3           H1'        U   3  -8.877  -2.582   8.466
  837    H3     U   3           H3         U   3 -12.668  -4.470   6.879
  838    H5     U   3           H5         U   3 -10.523  -7.766   8.379
  839    H6     U   3           H6         U   3  -8.724  -6.244   8.965
  840    H5'    U   4           H5'        U   4  -6.043   0.877   9.786
  841   H5''    U   4          H5''        U   4  -5.291   1.132  11.371
  842    H4'    U   4           H4'        U   4  -5.657   3.283  10.343
  843    H3'    U   4           H3'        U   4  -6.783   2.560  12.892
  844    H2'    U   4           H2'        U   4  -8.986   2.799  12.164
  845   HO2'    U   4          HO2'        U   4  -8.646   4.543  13.659
  846    H1'    U   4           H1'        U   4  -8.006   4.957  10.263
  847    H3     U   4           H3         U   4 -12.112   5.927   8.741
  848    H5     U   4           H5         U   4 -12.372   1.811   9.522
  849    H6     U   4           H6         U   4 -10.088   1.878  10.339
  850    H5'    U   5           H5'        U   5  -3.705   3.377  10.605
  851   H5''    U   5          H5''        U   5  -2.312   3.486  11.694
  852    H4'    U   5           H4'        U   5  -1.491   4.144   9.579
  853    H3'    U   5           H3'        U   5  -1.322   5.888  11.683
  854    H2'    U   5           H2'        U   5  -3.244   7.170  11.150
  855   HO2'    U   5          HO2'        U   5  -1.024   8.382  10.689
  856    H1'    U   5           H1'        U   5  -2.514   7.088   8.220
  857    H3     U   5           H3         U   5  -6.343   9.021   6.927
  858    H5     U   5           H5         U   5  -7.445   7.096  10.505
  859    H6     U   5           H6         U   5  -5.172   6.280  10.688
  860    H5'    U   6           H5'        U   6   1.653   5.102   8.545
  861   H5''    U   6          H5''        U   6   3.137   5.216   9.496
  862    H4'    U   6           H4'        U   6   3.616   5.025   7.101
  863    H3'    U   6           H3'        U   6   4.921   6.709   8.772
  864    H2'    U   6           H2'        U   6   3.491   8.607   8.439
  865   HO2'    U   6          HO2'        U   6   4.596   9.988   6.920
  866    H1'    U   6           H1'        U   6   3.371   8.227   5.475
  867    H3     U   6           H3         U   6   1.090  12.108   6.164
  868    H5     U   6           H5         U   6  -1.359   9.050   7.690
  869    H6     U   6           H6         U   6   0.522   7.548   7.531
  870    H5'    C   7           H5'        C   7   5.597   4.669   9.120
  871   H5''    C   7          H5''        C   7   7.220   5.049   9.741
  872    H4'    C   7           H4'        C   7   6.791   2.795  10.386
  873    H3'    C   7           H3'        C   7   8.967   3.372   8.696
  874    H2'    C   7           H2'        C   7   7.890   2.421   6.780
  875   HO2'    C   7          HO2'        C   7   9.835   1.231   7.108
  876    H1'    C   7           H1'        C   7   6.871   0.329   8.738
  877    H41    C   7           H41        C   7   2.789  -1.533   4.157
  878    H42    C   7           H42        C   7   4.019  -1.156   2.970
  879    H5     C   7           H5         C   7   6.114  -0.013   3.560
  880    H6     C   7           H6         C   7   7.380   0.957   5.368
  Start of MODEL   11
    1    H1   ALA   2           H        ALA   2   2.314  10.733  -6.147
    2    H2   ALA   2           H2       ALA   2   1.308   9.598  -5.484
    3    HA   ALA   2           HA       ALA   2   0.704  12.450  -5.826
    4    HB1  ALA   2           HB1      ALA   2  -0.933  10.270  -4.467
    5    HB2  ALA   2           HB2      ALA   2  -1.365  11.986  -4.609
    6    HB3  ALA   2           HB3      ALA   2  -1.285  10.970  -6.063
    7    H    SER   3           H        SER   3  -0.021  13.232  -3.452
    8    HA   SER   3           HA       SER   3   2.350  13.392  -1.921
    9    HB2  SER   3           HB2      SER   3  -0.537  13.951  -1.142
   10    HB3  SER   3           HB3      SER   3   0.903  14.509  -0.267
   11    HG   SER   3           HG       SER   3   0.065  16.062  -1.763
   12    H    ASN   4           H        ASN   4   2.386  12.914   0.512
   13    HA   ASN   4           HA       ASN   4   1.725  10.032   0.797
   14    HB2  ASN   4           HB2      ASN   4   3.713   9.880   2.215
   15    HB3  ASN   4           HB3      ASN   4   4.131  10.556   0.632
   16   HD21  ASN   4          HD21      ASN   4   3.510  11.378   4.057
   17   HD22  ASN   4          HD22      ASN   4   4.454  12.859   4.041
   18    H    VAL   5           H        VAL   5  -0.012  12.450   1.623
   19    HA   VAL   5           HA       VAL   5  -0.192  11.712   4.502
   20    HB   VAL   5           HB       VAL   5   0.884  13.938   4.055
   21   HG11  VAL   5          HG11      VAL   5  -0.507  15.814   3.404
   22   HG12  VAL   5          HG12      VAL   5  -0.521  14.598   2.108
   23   HG13  VAL   5          HG13      VAL   5  -1.919  14.755   3.202
   24   HG21  VAL   5          HG21      VAL   5  -0.074  13.471   6.207
   25   HG22  VAL   5          HG22      VAL   5  -0.494  15.129   5.754
   26   HG23  VAL   5          HG23      VAL   5  -1.714  13.835   5.619
   27    H    THR   6           H        THR   6  -2.120  11.167   5.246
   28    HA   THR   6           HA       THR   6  -4.542  11.734   3.668
   29    HB   THR   6           HB       THR   6  -5.201   9.358   3.582
   30    HG1  THR   6           HG1      THR   6  -3.919   8.614   5.322
   31   HG21  THR   6          HG21      THR   6  -3.924  10.338   1.649
   32   HG22  THR   6          HG22      THR   6  -2.432   9.660   2.365
   33   HG23  THR   6          HG23      THR   6  -3.739   8.582   1.838
   34    H    ASN   7           H        ASN   7  -3.341  12.251   6.512
   35    HA   ASN   7           HA       ASN   7  -5.534  10.933   8.040
   36    HB2  ASN   7           HB2      ASN   7  -3.181  10.260   8.557
   37    HB3  ASN   7           HB3      ASN   7  -2.896  11.911   9.152
   38   HD21  ASN   7          HD21      ASN   7  -2.396  11.029  11.210
   39   HD22  ASN   7          HD22      ASN   7  -3.658  10.475  12.289
   40    H    LYS   8           H        LYS   8  -5.586  13.626   6.592
   41    HA   LYS   8           HA       LYS   8  -5.812  15.615   8.697
   42    HB2  LYS   8           HB2      LYS   8  -6.638  15.437   5.797
   43    HB3  LYS   8           HB3      LYS   8  -7.239  16.745   6.816
   44    HG2  LYS   8           HG2      LYS   8  -5.262  17.401   5.544
   45    HG3  LYS   8           HG3      LYS   8  -5.012  17.541   7.282
   46    HD2  LYS   8           HD2      LYS   8  -4.114  15.058   5.804
   47    HD3  LYS   8           HD3      LYS   8  -3.145  16.533   5.739
   48    HE2  LYS   8           HE2      LYS   8  -3.960  15.159   8.333
   49    HE3  LYS   8           HE3      LYS   8  -2.396  14.950   7.529
   50    HZ1  LYS   8           HZ1      LYS   8  -3.470  17.496   8.542
   51    HZ2  LYS   8           HZ2      LYS   8  -2.277  16.601   9.238
   52    HZ3  LYS   8           HZ3      LYS   8  -2.029  17.306   7.774
   53    H    THR   9           H        THR   9  -8.001  16.730   9.115
   54    HA   THR   9           HA       THR   9 -10.128  14.665   9.365
   55    HB   THR   9           HB       THR   9 -10.540  15.438  11.693
   56    HG1  THR   9           HG1      THR   9  -8.831  16.583  12.673
   57   HG21  THR   9          HG21      THR   9  -7.744  14.329  11.194
   58   HG22  THR   9          HG22      THR   9  -8.699  14.163  12.684
   59   HG23  THR   9          HG23      THR   9  -9.240  13.375  11.187
   60    H    ASP  10           H        ASP  10  -9.726  17.081   7.590
   61    HA   ASP  10           HA       ASP  10 -11.556  19.100   8.456
   62    HB2  ASP  10           HB2      ASP  10 -10.524  18.290   5.713
   63    HB3  ASP  10           HB3      ASP  10 -11.488  19.738   6.019
   64    HA   PRO  11           HA       PRO  11 -15.454  17.345   7.897
   65    HB2  PRO  11           HB2      PRO  11 -16.979  19.403   6.907
   66    HB3  PRO  11           HB3      PRO  11 -16.325  19.357   8.587
   67    HG2  PRO  11           HG2      PRO  11 -15.156  20.751   6.161
   68    HG3  PRO  11           HG3      PRO  11 -15.441  21.434   7.796
   69    HD2  PRO  11           HD2      PRO  11 -13.008  20.503   7.093
   70    HD3  PRO  11           HD3      PRO  11 -13.652  20.155   8.726
   71    H    ARG  12           H        ARG  12 -13.717  18.253   5.083
   72    HA   ARG  12           HA       ARG  12 -15.661  16.671   3.451
   73    HB2  ARG  12           HB2      ARG  12 -15.115  17.992   1.511
   74    HB3  ARG  12           HB3      ARG  12 -15.662  19.039   2.820
   75    HG2  ARG  12           HG2      ARG  12 -13.854  20.218   1.978
   76    HG3  ARG  12           HG3      ARG  12 -13.117  19.357   3.340
   77    HD2  ARG  12           HD2      ARG  12 -12.267  17.630   1.733
   78    HD3  ARG  12           HD3      ARG  12 -13.044  18.496   0.407
   79    HE   ARG  12           HE       ARG  12 -10.618  19.282   1.899
   80   HH11  ARG  12          HH11      ARG  12 -13.063  20.206  -0.482
   81   HH12  ARG  12          HH12      ARG  12 -12.077  21.475  -1.172
   82   HH21  ARG  12          HH21      ARG  12  -9.362  20.935   0.988
   83   HH22  ARG  12          HH22      ARG  12  -9.986  21.892  -0.335
   84    H    SER  13           H        SER  13 -12.458  16.926   4.679
   85    HA   SER  13           HA       SER  13 -11.322  15.136   2.646
   86    HB2  SER  13           HB2      SER  13 -10.167  16.214   5.237
   87    HB3  SER  13           HB3      SER  13  -9.270  15.325   3.992
   88    HG   SER  13           HG       SER  13  -9.723  16.981   2.530
   89    H    MET  14           H        MET  14 -13.001  14.911   5.678
   90    HA   MET  14           HA       MET  14 -12.080  12.242   6.367
   91    HB2  MET  14           HB2      MET  14 -14.289  14.110   7.254
   92    HB3  MET  14           HB3      MET  14 -14.287  12.435   7.808
   93    HG2  MET  14           HG2      MET  14 -11.684  13.871   8.007
   94    HG3  MET  14           HG3      MET  14 -12.969  14.469   9.049
   95    HE1  MET  14           HE1      MET  14 -12.916  10.629   8.052
   96    HE2  MET  14           HE2      MET  14 -11.191  11.062   7.936
   97    HE3  MET  14           HE3      MET  14 -11.764   9.974   9.223
   98    H    ASN  15           H        ASN  15 -14.200  13.492   3.961
   99    HA   ASN  15           HA       ASN  15 -15.350  10.780   3.632
  100    HB2  ASN  15           HB2      ASN  15 -17.357  12.035   2.597
  101    HB3  ASN  15           HB3      ASN  15 -17.198  11.944   4.353
  102   HD21  ASN  15          HD21      ASN  15 -16.655  13.801   5.561
  103   HD22  ASN  15          HD22      ASN  15 -16.755  15.404   4.870
  104    H    SER  16           H        SER  16 -13.201  12.933   2.314
  105    HA   SER  16           HA       SER  16 -13.756  11.963  -0.437
  106    HB2  SER  16           HB2      SER  16 -12.196  13.637  -1.189
  107    HB3  SER  16           HB3      SER  16 -13.350  14.417  -0.080
  108    HG   SER  16           HG       SER  16 -11.154  14.964   0.340
  109    H    ARG  17           H        ARG  17 -12.582  10.624   2.120
  110    HA   ARG  17           HA       ARG  17  -9.982   9.673   1.011
  111    HB2  ARG  17           HB2      ARG  17  -9.972  10.899   3.123
  112    HB3  ARG  17           HB3      ARG  17 -11.091   9.727   3.834
  113    HG2  ARG  17           HG2      ARG  17  -9.405   7.931   3.575
  114    HG3  ARG  17           HG3      ARG  17  -8.299   9.081   2.782
  115    HD2  ARG  17           HD2      ARG  17  -9.370   9.257   5.628
  116    HD3  ARG  17           HD3      ARG  17  -7.701   8.880   5.146
  117    HE   ARG  17           HE       ARG  17  -8.020  11.256   3.936
  118   HH11  ARG  17          HH11      ARG  17  -8.800  10.288   7.262
  119   HH12  ARG  17          HH12      ARG  17  -8.677  11.933   7.848
  120   HH21  ARG  17          HH21      ARG  17  -7.915  13.326   4.729
  121   HH22  ARG  17          HH22      ARG  17  -8.170  13.634   6.443
  122    H    VAL  18           H        VAL  18  -9.479   7.434   1.240
  123    HA   VAL  18           HA       VAL  18 -11.849   5.630   1.466
  124    HB   VAL  18           HB       VAL  18  -9.447   5.301  -0.369
  125   HG11  VAL  18          HG11      VAL  18 -10.436   3.179   0.314
  126   HG12  VAL  18          HG12      VAL  18 -12.062   3.775  -0.100
  127   HG13  VAL  18          HG13      VAL  18 -10.847   3.515  -1.377
  128   HG21  VAL  18          HG21      VAL  18 -12.294   6.158  -1.028
  129   HG22  VAL  18          HG22      VAL  18 -10.828   7.162  -1.182
  130   HG23  VAL  18          HG23      VAL  18 -11.030   5.733  -2.212
  131    H    PHE  19           H        PHE  19 -11.647   4.112   2.993
  132    HA   PHE  19           HA       PHE  19  -8.980   3.530   4.147
  133    HB2  PHE  19           HB2      PHE  19 -10.788   4.028   5.695
  134    HB3  PHE  19           HB3      PHE  19 -11.823   2.824   4.945
  135    HD1  PHE  19           HD2      PHE  19  -8.185   2.499   5.898
  136    HD2  PHE  19           HD1      PHE  19 -12.250   1.304   6.637
  137    HE1  PHE  19           HE2      PHE  19  -7.393   0.776   7.483
  138    HE2  PHE  19           HE1      PHE  19 -11.460  -0.401   8.241
  139    HZ   PHE  19           HZ       PHE  19  -9.028  -0.682   8.663
  140    H    ILE  20           H        ILE  20  -7.978   1.527   3.792
  141    HA   ILE  20           HA       ILE  20  -9.474  -0.473   2.155
  142    HB   ILE  20           HB       ILE  20  -6.593   0.409   1.732
  143   HG12  ILE  20          HG12      ILE  20  -8.988   0.886  -0.082
  144   HG13  ILE  20          HG13      ILE  20  -8.324   2.111   1.018
  145   HG21  ILE  20          HG21      ILE  20  -6.703  -1.079  -0.230
  146   HG22  ILE  20          HG22      ILE  20  -7.099  -1.993   1.235
  147   HG23  ILE  20          HG23      ILE  20  -8.397  -1.483   0.150
  148   HD11  ILE  20          HD11      ILE  20  -6.769   0.761  -1.225
  149   HD12  ILE  20          HD12      ILE  20  -7.419   2.418  -1.230
  150   HD13  ILE  20          HD13      ILE  20  -6.134   1.969  -0.083
  151    H    GLY  21           H        GLY  21  -9.825  -1.660   4.053
  152    HA2  GLY  21           HA2      GLY  21  -7.493  -2.477   5.668
  153    HA3  GLY  21           HA3      GLY  21  -9.191  -2.797   6.018
  154    H    ASN  22           H        ASN  22  -7.440  -4.790   6.394
  155    HA   ASN  22           HA       ASN  22  -7.011  -6.933   5.992
  156    HB2  ASN  22           HB2      ASN  22  -9.556  -6.801   5.892
  157    HB3  ASN  22           HB3      ASN  22  -9.400  -7.016   4.145
  158   HD21  ASN  22          HD21      ASN  22  -8.729  -9.056   3.323
  159   HD22  ASN  22          HD22      ASN  22  -8.647 -10.482   4.338
  160    H    LEU  23           H        LEU  23  -5.929  -4.842   4.073
  161    HA   LEU  23           HA       LEU  23  -5.771  -6.061   1.469
  162    HB2  LEU  23           HB2      LEU  23  -5.661  -3.640   1.849
  163    HB3  LEU  23           HB3      LEU  23  -4.217  -3.834   2.841
  164    HG   LEU  23           HG       LEU  23  -2.941  -4.618   0.870
  165   HD11  LEU  23          HD11      LEU  23  -3.901  -4.410  -1.379
  166   HD12  LEU  23          HD12      LEU  23  -4.780  -5.633  -0.443
  167   HD13  LEU  23          HD13      LEU  23  -5.490  -4.017  -0.684
  168   HD21  LEU  23          HD21      LEU  23  -4.487  -2.016   0.502
  169   HD22  LEU  23          HD22      LEU  23  -2.993  -2.432  -0.358
  170   HD23  LEU  23          HD23      LEU  23  -2.969  -2.236   1.408
  171    H    ASN  24           H        ASN  24  -4.025  -7.122   0.485
  172    HA   ASN  24           HA       ASN  24  -2.133  -8.474   2.262
  173    HB2  ASN  24           HB2      ASN  24  -3.093  -9.707   0.400
  174    HB3  ASN  24           HB3      ASN  24  -2.561  -8.467  -0.747
  175   HD21  ASN  24          HD21      ASN  24  -0.384  -8.333  -1.363
  176   HD22  ASN  24          HD22      ASN  24   0.757  -9.621  -1.002
  177    H    THR  25           H        THR  25  -0.613  -7.123   3.099
  178    HA   THR  25           HA       THR  25   0.439  -4.966   1.383
  179    HB   THR  25           HB       THR  25   1.107  -3.899   3.474
  180    HG1  THR  25           HG1      THR  25   1.440  -5.917   4.615
  181   HG21  THR  25          HG21      THR  25  -1.724  -4.998   3.713
  182   HG22  THR  25          HG22      THR  25  -1.139  -3.423   4.271
  183   HG23  THR  25          HG23      THR  25  -1.263  -3.747   2.527
  184    H    LEU  26           H        LEU  26   1.367  -7.983   1.622
  185    HA   LEU  26           HA       LEU  26   4.223  -7.400   2.179
  186    HB2  LEU  26           HB2      LEU  26   3.006 -10.063   1.387
  187    HB3  LEU  26           HB3      LEU  26   4.586  -9.753   2.105
  188    HG   LEU  26           HG       LEU  26   1.855  -9.642   3.406
  189   HD11  LEU  26          HD11      LEU  26   3.067 -11.210   4.977
  190   HD12  LEU  26          HD12      LEU  26   3.003 -11.800   3.304
  191   HD13  LEU  26          HD13      LEU  26   4.500 -11.071   3.944
  192   HD21  LEU  26          HD21      LEU  26   4.474  -8.655   4.621
  193   HD22  LEU  26          HD22      LEU  26   2.910  -8.834   5.462
  194   HD23  LEU  26          HD23      LEU  26   3.096  -7.615   4.193
  195    H    VAL  27           H        VAL  27   2.052  -7.442  -0.467
  196    HA   VAL  27           HA       VAL  27   4.342  -7.697  -2.358
  197    HB   VAL  27           HB       VAL  27   1.548  -8.821  -2.798
  198   HG11  VAL  27          HG11      VAL  27   4.141  -9.071  -4.375
  199   HG12  VAL  27          HG12      VAL  27   2.636  -9.961  -4.721
  200   HG13  VAL  27          HG13      VAL  27   2.680  -8.197  -4.883
  201   HG21  VAL  27          HG21      VAL  27   4.155 -10.247  -2.124
  202   HG22  VAL  27          HG22      VAL  27   2.729 -10.143  -1.070
  203   HG23  VAL  27          HG23      VAL  27   2.637 -11.045  -2.599
  204    H    VAL  28           H        VAL  28   1.384  -6.060  -1.354
  205    HA   VAL  28           HA       VAL  28   1.299  -4.431  -3.783
  206    HB   VAL  28           HB       VAL  28  -0.623  -5.167  -2.066
  207   HG11  VAL  28          HG11      VAL  28  -1.175  -3.472  -0.481
  208   HG12  VAL  28          HG12      VAL  28   0.538  -3.863  -0.206
  209   HG13  VAL  28          HG13      VAL  28   0.095  -2.381  -1.093
  210   HG21  VAL  28          HG21      VAL  28  -0.955  -3.947  -4.199
  211   HG22  VAL  28          HG22      VAL  28  -1.991  -3.312  -2.906
  212   HG23  VAL  28          HG23      VAL  28  -0.531  -2.423  -3.381
  213    H    LYS  29           H        LYS  29   1.621  -2.074  -3.699
  214    HA   LYS  29           HA       LYS  29   3.220  -1.064  -1.446
  215    HB2  LYS  29           HB2      LYS  29   4.740   0.011  -3.319
  216    HB3  LYS  29           HB3      LYS  29   5.095  -1.596  -2.691
  217    HG2  LYS  29           HG2      LYS  29   3.264  -1.454  -5.064
  218    HG3  LYS  29           HG3      LYS  29   4.966  -1.043  -5.324
  219    HD2  LYS  29           HD2      LYS  29   5.748  -3.151  -4.560
  220    HD3  LYS  29           HD3      LYS  29   4.196  -3.567  -3.822
  221    HE2  LYS  29           HE2      LYS  29   4.525  -4.803  -5.915
  222    HE3  LYS  29           HE3      LYS  29   3.128  -3.713  -5.993
  223    HZ1  LYS  29           HZ1      LYS  29   4.497  -3.628  -7.976
  224    HZ2  LYS  29           HZ2      LYS  29   4.423  -2.173  -7.228
  225    HZ3  LYS  29           HZ3      LYS  29   5.785  -3.096  -7.100
  226    H    LYS  30           H        LYS  30   3.685   1.368  -1.891
  227    HA   LYS  30           HA       LYS  30   1.197   2.728  -2.104
  228    HB2  LYS  30           HB2      LYS  30   3.147   3.625  -0.922
  229    HB3  LYS  30           HB3      LYS  30   4.044   3.755  -2.450
  230    HG2  LYS  30           HG2      LYS  30   2.402   5.350  -3.327
  231    HG3  LYS  30           HG3      LYS  30   1.417   5.171  -1.864
  232    HD2  LYS  30           HD2      LYS  30   3.298   6.068  -0.509
  233    HD3  LYS  30           HD3      LYS  30   4.267   6.243  -1.999
  234    HE2  LYS  30           HE2      LYS  30   2.443   7.698  -2.935
  235    HE3  LYS  30           HE3      LYS  30   1.623   7.612  -1.362
  236    HZ1  LYS  30           HZ1      LYS  30   4.315   8.702  -1.833
  237    HZ2  LYS  30           HZ2      LYS  30   2.955   9.588  -1.574
  238    HZ3  LYS  30           HZ3      LYS  30   3.554   8.630  -0.374
  239    H    SER  31           H        SER  31   3.637   1.901  -4.531
  240    HA   SER  31           HA       SER  31   2.548   3.658  -6.562
  241    HB2  SER  31           HB2      SER  31   4.217   2.542  -8.019
  242    HB3  SER  31           HB3      SER  31   4.924   3.144  -6.501
  243    HG   SER  31           HG       SER  31   5.572   1.005  -7.008
  244    H    ASP  32           H        ASP  32   1.536   0.690  -5.263
  245    HA   ASP  32           HA       ASP  32   0.197  -0.133  -7.777
  246    HB2  ASP  32           HB2      ASP  32   0.935  -1.435  -5.175
  247    HB3  ASP  32           HB3      ASP  32  -0.541  -1.980  -5.950
  248    H    VAL  33           H        VAL  33  -0.438   1.020  -4.421
  249    HA   VAL  33           HA       VAL  33  -3.289   0.757  -4.690
  250    HB   VAL  33           HB       VAL  33  -1.610   2.463  -2.805
  251   HG11  VAL  33          HG11      VAL  33  -3.655   2.482  -1.400
  252   HG12  VAL  33          HG12      VAL  33  -3.923   3.303  -2.954
  253   HG13  VAL  33          HG13      VAL  33  -4.551   1.663  -2.696
  254   HG21  VAL  33          HG21      VAL  33  -1.190   0.037  -2.602
  255   HG22  VAL  33          HG22      VAL  33  -2.120   0.620  -1.206
  256   HG23  VAL  33          HG23      VAL  33  -2.940  -0.270  -2.506
  257    H    GLU  34           H        GLU  34  -0.957   3.368  -5.455
  258    HA   GLU  34           HA       GLU  34  -3.123   5.177  -6.162
  259    HB2  GLU  34           HB2      GLU  34  -1.463   6.754  -6.740
  260    HB3  GLU  34           HB3      GLU  34  -0.936   5.947  -5.253
  261    HG2  GLU  34           HG2      GLU  34   0.545   4.475  -6.646
  262    HG3  GLU  34           HG3      GLU  34   0.053   5.391  -8.083
  263    H    ALA  35           H        ALA  35  -2.229   2.396  -7.570
  264    HA   ALA  35           HA       ALA  35  -2.734   3.420 -10.325
  265    HB1  ALA  35           HB1      ALA  35  -1.211   0.944  -9.424
  266    HB2  ALA  35           HB2      ALA  35  -1.457   1.465 -11.107
  267    HB3  ALA  35           HB3      ALA  35  -0.475   2.457  -9.999
  268    H    ILE  36           H        ILE  36  -4.025   1.697  -7.711
  269    HA   ILE  36           HA       ILE  36  -5.821   0.069  -9.446
  270    HB   ILE  36           HB       ILE  36  -5.046  -0.061  -6.515
  271   HG12  ILE  36          HG12      ILE  36  -4.749  -2.185  -8.669
  272   HG13  ILE  36          HG13      ILE  36  -3.518  -0.941  -8.432
  273   HG21  ILE  36          HG21      ILE  36  -7.031  -1.800  -8.041
  274   HG22  ILE  36          HG22      ILE  36  -6.452  -2.106  -6.390
  275   HG23  ILE  36          HG23      ILE  36  -7.431  -0.675  -6.715
  276   HD11  ILE  36          HD11      ILE  36  -2.862  -2.879  -7.158
  277   HD12  ILE  36          HD12      ILE  36  -3.347  -1.595  -6.024
  278   HD13  ILE  36          HD13      ILE  36  -4.445  -2.958  -6.354
  279    H    PHE  37           H        PHE  37  -5.673   2.870  -7.346
  280    HA   PHE  37           HA       PHE  37  -8.654   3.010  -7.346
  281    HB2  PHE  37           HB2      PHE  37  -6.560   4.127  -5.463
  282    HB3  PHE  37           HB3      PHE  37  -8.248   4.641  -5.441
  283    HD1  PHE  37           HD2      PHE  37  -6.165   1.511  -5.305
  284    HD2  PHE  37           HD1      PHE  37  -9.776   3.515  -4.099
  285    HE1  PHE  37           HE2      PHE  37  -6.762  -0.422  -3.893
  286    HE2  PHE  37           HE1      PHE  37 -10.383   1.570  -2.685
  287    HZ   PHE  37           HZ       PHE  37  -8.857  -0.402  -2.567
  288    H    SER  38           H        SER  38  -5.946   4.276  -8.947
  289    HA   SER  38           HA       SER  38  -6.930   7.006  -9.167
  290    HB2  SER  38           HB2      SER  38  -4.550   6.434  -9.295
  291    HB3  SER  38           HB3      SER  38  -4.844   5.511 -10.786
  292    HG   SER  38           HG       SER  38  -4.130   7.664 -11.178
  293    H    LYS  39           H        LYS  39  -7.936   4.048 -10.545
  294    HA   LYS  39           HA       LYS  39  -8.846   5.246 -13.061
  295    HB2  LYS  39           HB2      LYS  39  -9.716   3.062 -13.585
  296    HB3  LYS  39           HB3      LYS  39  -8.040   2.923 -13.029
  297    HG2  LYS  39           HG2      LYS  39  -8.752   2.097 -10.864
  298    HG3  LYS  39           HG3      LYS  39 -10.451   2.504 -11.210
  299    HD2  LYS  39           HD2      LYS  39 -10.490   0.899 -13.066
  300    HD3  LYS  39           HD3      LYS  39  -8.804   0.444 -12.732
  301    HE2  LYS  39           HE2      LYS  39 -11.080   0.224 -10.724
  302    HE3  LYS  39           HE3      LYS  39 -10.559  -1.110 -11.774
  303    HZ1  LYS  39           HZ1      LYS  39  -9.522  -1.229  -9.613
  304    HZ2  LYS  39           HZ2      LYS  39  -8.392  -0.983 -10.785
  305    HZ3  LYS  39           HZ3      LYS  39  -8.850   0.252  -9.803
  306    H    TYR  40           H        TYR  40  -9.915   5.457  -9.935
  307    HA   TYR  40           HA       TYR  40 -12.764   5.706 -10.791
  308    HB2  TYR  40           HB2      TYR  40 -11.489   4.520  -8.346
  309    HB3  TYR  40           HB3      TYR  40 -13.051   5.327  -8.183
  310    HD1  TYR  40           HD2      TYR  40 -14.807   4.670 -10.110
  311    HD2  TYR  40           HD1      TYR  40 -11.571   2.208  -8.704
  312    HE1  TYR  40           HE2      TYR  40 -16.029   2.645 -10.856
  313    HE2  TYR  40           HE1      TYR  40 -12.791   0.178  -9.454
  314    HH   TYR  40           HH       TYR  40 -14.676  -0.649 -10.449
  315    H    GLY  41           H        GLY  41 -10.038   7.482  -9.947
  316    HA2  GLY  41           HA2      GLY  41 -11.404   9.917  -9.858
  317    HA3  GLY  41           HA3      GLY  41 -11.218   9.399  -8.171
  318    H    LYS  42           H        LYS  42 -10.073  11.744  -8.944
  319    HA   LYS  42           HA       LYS  42  -7.263  11.339  -9.639
  320    HB2  LYS  42           HB2      LYS  42  -8.299  13.366 -10.413
  321    HB3  LYS  42           HB3      LYS  42  -8.926  13.739  -8.793
  322    HG2  LYS  42           HG2      LYS  42  -6.981  15.150  -9.305
  323    HG3  LYS  42           HG3      LYS  42  -6.679  14.091  -7.928
  324    HD2  LYS  42           HD2      LYS  42  -5.461  12.507  -9.486
  325    HD3  LYS  42           HD3      LYS  42  -5.645  13.738 -10.763
  326    HE2  LYS  42           HE2      LYS  42  -4.488  15.379  -9.282
  327    HE3  LYS  42           HE3      LYS  42  -4.312  14.123  -8.049
  328    HZ1  LYS  42           HZ1      LYS  42  -2.986  12.861  -9.585
  329    HZ2  LYS  42           HZ2      LYS  42  -3.147  14.017 -10.751
  330    HZ3  LYS  42           HZ3      LYS  42  -2.328  14.346  -9.365
  331    H    ILE  43           H        ILE  43  -5.896  10.491  -8.178
  332    HA   ILE  43           HA       ILE  43  -6.402  10.852  -5.307
  333    HB   ILE  43           HB       ILE  43  -4.210   9.388  -6.826
  334   HG12  ILE  43          HG12      ILE  43  -6.745   8.463  -5.406
  335   HG13  ILE  43          HG13      ILE  43  -6.439   8.422  -7.151
  336   HG21  ILE  43          HG21      ILE  43  -4.930   9.387  -3.863
  337   HG22  ILE  43          HG22      ILE  43  -3.671   8.389  -4.632
  338   HG23  ILE  43          HG23      ILE  43  -3.486  10.148  -4.577
  339   HD11  ILE  43          HD11      ILE  43  -4.587   6.810  -6.788
  340   HD12  ILE  43          HD12      ILE  43  -4.974   6.783  -5.048
  341   HD13  ILE  43          HD13      ILE  43  -6.162   6.203  -6.221
  342    H    VAL  44           H        VAL  44  -5.541  12.419  -4.117
  343    HA   VAL  44           HA       VAL  44  -3.216  13.937  -5.199
  344    HB   VAL  44           HB       VAL  44  -4.113  15.843  -3.794
  345   HG11  VAL  44          HG11      VAL  44  -5.892  14.831  -6.048
  346   HG12  VAL  44          HG12      VAL  44  -5.707  16.520  -5.512
  347   HG13  VAL  44          HG13      VAL  44  -4.343  15.677  -6.269
  348   HG21  VAL  44          HG21      VAL  44  -5.661  14.483  -2.383
  349   HG22  VAL  44          HG22      VAL  44  -6.494  15.812  -3.220
  350   HG23  VAL  44          HG23      VAL  44  -6.651  14.152  -3.827
  351    H    GLY  45           H        GLY  45  -3.957  11.595  -3.082
  352    HA2  GLY  45           HA2      GLY  45  -1.457  11.877  -1.729
  353    HA3  GLY  45           HA3      GLY  45  -2.782  12.269  -0.622
  354    H    CYS  46           H        CYS  46  -0.877   9.891  -0.737
  355    HA   CYS  46           HA       CYS  46  -2.933   7.929  -0.135
  356    HB2  CYS  46           HB2      CYS  46  -2.013   6.215  -1.719
  357    HB3  CYS  46           HB3      CYS  46  -2.818   7.575  -2.528
  358    HG   CYS  46           HG       CYS  46  -0.732   6.861  -3.907
  359    H    SER  47           H        SER  47  -2.150   6.146   1.025
  360    HA   SER  47           HA       SER  47   0.718   6.037   1.711
  361    HB2  SER  47           HB2      SER  47  -1.486   6.485   3.765
  362    HB3  SER  47           HB3      SER  47   0.188   6.039   4.138
  363    HG   SER  47           HG       SER  47  -0.679   8.383   2.800
  364    H    VAL  48           H        VAL  48   1.243   4.033   2.865
  365    HA   VAL  48           HA       VAL  48  -0.889   1.969   2.791
  366    HB   VAL  48           HB       VAL  48   1.888   1.700   1.599
  367   HG11  VAL  48          HG11      VAL  48   1.226  -0.412   2.649
  368   HG12  VAL  48          HG12      VAL  48  -0.369  -0.333   1.864
  369   HG13  VAL  48          HG13      VAL  48   1.105  -0.557   0.890
  370   HG21  VAL  48          HG21      VAL  48   0.610   1.270  -0.516
  371   HG22  VAL  48          HG22      VAL  48  -0.885   1.695   0.339
  372   HG23  VAL  48          HG23      VAL  48   0.387   2.918   0.109
  373    H    HIS  49           H        HIS  49  -0.498   0.199   4.250
  374    HA   HIS  49           HA       HIS  49   1.587   0.656   6.303
  375    HB2  HIS  49           HB2      HIS  49  -1.367   0.342   6.930
  376    HB3  HIS  49           HB3      HIS  49  -0.060   0.650   8.073
  377    HD2  HIS  49           HD3      HIS  49  -2.281   2.385   5.459
  378    HE1  HIS  49           HE1      HIS  49  -0.111   5.474   7.411
  379    HE2  HIS  49           HE2      HIS  49  -1.992   4.965   5.762
  380    H    LYS  50           H        LYS  50   0.806  -1.251   8.126
  381    HA   LYS  50           HA       LYS  50   1.019  -3.760   6.582
  382    HB2  LYS  50           HB2      LYS  50   1.071  -3.085   9.548
  383    HB3  LYS  50           HB3      LYS  50   1.196  -4.735   8.938
  384    HG2  LYS  50           HG2      LYS  50   3.137  -2.642   7.933
  385    HG3  LYS  50           HG3      LYS  50   3.350  -3.336   9.539
  386    HD2  LYS  50           HD2      LYS  50   4.692  -4.616   8.018
  387    HD3  LYS  50           HD3      LYS  50   3.362  -5.618   8.595
  388    HE2  LYS  50           HE2      LYS  50   3.695  -6.008   6.236
  389    HE3  LYS  50           HE3      LYS  50   2.140  -5.214   6.475
  390    HZ1  LYS  50           HZ1      LYS  50   3.393  -4.256   4.652
  391    HZ2  LYS  50           HZ2      LYS  50   3.189  -3.129   5.832
  392    HZ3  LYS  50           HZ3      LYS  50   4.639  -3.874   5.647
  393    H    GLY  51           H        GLY  51  -0.712  -4.834   5.946
  394    HA2  GLY  51           HA2      GLY  51  -2.716  -5.958   6.081
  395    HA3  GLY  51           HA3      GLY  51  -2.942  -5.332   7.719
  396    H    PHE  52           H        PHE  52  -2.427  -2.512   6.159
  397    HA   PHE  52           HA       PHE  52  -5.002  -2.326   4.768
  398    HB2  PHE  52           HB2      PHE  52  -5.882  -0.561   6.143
  399    HB3  PHE  52           HB3      PHE  52  -5.648  -2.008   7.103
  400    HD1  PHE  52           HD2      PHE  52  -3.711  -2.127   8.728
  401    HD2  PHE  52           HD1      PHE  52  -4.756   1.487   6.636
  402    HE1  PHE  52           HE2      PHE  52  -2.367  -0.808  10.331
  403    HE2  PHE  52           HE1      PHE  52  -3.414   2.802   8.245
  404    HZ   PHE  52           HZ       PHE  52  -2.208   1.650  10.100
  405    H    ALA  53           H        ALA  53  -5.321  -0.009   3.950
  406    HA   ALA  53           HA       ALA  53  -2.873   1.603   3.723
  407    HB1  ALA  53           HB1      ALA  53  -2.656   0.023   1.878
  408    HB2  ALA  53           HB2      ALA  53  -4.303   0.409   1.315
  409    HB3  ALA  53           HB3      ALA  53  -3.022   1.643   1.251
  410    H    PHE  54           H        PHE  54  -3.419   3.656   2.395
  411    HA   PHE  54           HA       PHE  54  -6.268   4.438   2.693
  412    HB2  PHE  54           HB2      PHE  54  -3.911   5.561   4.162
  413    HB3  PHE  54           HB3      PHE  54  -5.106   6.697   3.547
  414    HD1  PHE  54           HD2      PHE  54  -7.536   6.385   4.096
  415    HD2  PHE  54           HD1      PHE  54  -4.375   4.402   6.232
  416    HE1  PHE  54           HE2      PHE  54  -9.084   5.966   5.991
  417    HE2  PHE  54           HE1      PHE  54  -5.920   3.976   8.119
  418    HZ   PHE  54           HZ       PHE  54  -8.279   4.758   7.998
  419    H    VAL  55           H        VAL  55  -6.978   6.038   1.357
  420    HA   VAL  55           HA       VAL  55  -5.058   7.217  -0.574
  421    HB   VAL  55           HB       VAL  55  -7.654   5.791  -1.282
  422   HG11  VAL  55          HG11      VAL  55  -7.080   6.419  -3.616
  423   HG12  VAL  55          HG12      VAL  55  -7.428   7.838  -2.623
  424   HG13  VAL  55          HG13      VAL  55  -5.737   7.419  -2.998
  425   HG21  VAL  55          HG21      VAL  55  -5.733   4.269  -0.983
  426   HG22  VAL  55          HG22      VAL  55  -6.170   4.402  -2.692
  427   HG23  VAL  55          HG23      VAL  55  -4.756   5.284  -2.071
  428    H    GLN  56           H        GLN  56  -5.572   9.277  -1.201
  429    HA   GLN  56           HA       GLN  56  -7.938  10.531   0.108
  430    HB2  GLN  56           HB2      GLN  56  -5.833  11.029   1.280
  431    HB3  GLN  56           HB3      GLN  56  -5.111  11.605  -0.238
  432    HG2  GLN  56           HG2      GLN  56  -5.795  13.513   1.071
  433    HG3  GLN  56           HG3      GLN  56  -6.860  13.389  -0.334
  434   HE21  GLN  56          HE21      GLN  56  -9.069  12.974  -0.027
  435   HE22  GLN  56          HE22      GLN  56  -9.804  12.905   1.556
  436    H    TYR  57           H        TYR  57  -9.324  10.995  -1.447
  437    HA   TYR  57           HA       TYR  57  -8.406  11.757  -4.148
  438    HB2  TYR  57           HB2      TYR  57 -11.150  11.242  -2.944
  439    HB3  TYR  57           HB3      TYR  57 -10.894  11.820  -4.578
  440    HD1  TYR  57           HD1      TYR  57  -8.801  10.306  -5.740
  441    HD2  TYR  57           HD2      TYR  57 -11.768   9.022  -2.917
  442    HE1  TYR  57           HE1      TYR  57  -8.733   8.016  -6.720
  443    HE2  TYR  57           HE2      TYR  57 -11.715   6.730  -3.905
  444    HH   TYR  57           HH       TYR  57  -9.618   5.907  -6.661
  445    H    VAL  58           H        VAL  58 -10.055  13.531  -5.096
  446    HA   VAL  58           HA       VAL  58  -9.341  15.975  -3.675
  447    HB   VAL  58           HB       VAL  58 -10.781  15.474  -6.310
  448   HG11  VAL  58          HG11      VAL  58  -9.663  18.048  -5.122
  449   HG12  VAL  58          HG12      VAL  58 -10.217  17.852  -6.801
  450   HG13  VAL  58          HG13      VAL  58 -11.376  17.691  -5.472
  451   HG21  VAL  58          HG21      VAL  58  -8.606  16.144  -7.292
  452   HG22  VAL  58          HG22      VAL  58  -7.921  16.315  -5.656
  453   HG23  VAL  58          HG23      VAL  58  -8.415  14.715  -6.257
  454    H    ASN  59           H        ASN  59 -12.190  13.941  -4.098
  455    HA   ASN  59           HA       ASN  59 -13.745  15.716  -2.355
  456    HB2  ASN  59           HB2      ASN  59 -15.618  15.873  -3.985
  457    HB3  ASN  59           HB3      ASN  59 -14.154  16.679  -4.561
  458   HD21  ASN  59          HD21      ASN  59 -13.701  16.283  -6.663
  459   HD22  ASN  59          HD22      ASN  59 -14.117  14.809  -7.525
  460    H    GLU  60           H        GLU  60 -16.062  14.786  -2.182
  461    HA   GLU  60           HA       GLU  60 -15.804  12.159  -1.038
  462    HB2  GLU  60           HB2      GLU  60 -17.224  13.749   0.023
  463    HB3  GLU  60           HB3      GLU  60 -18.031  14.170  -1.499
  464    HG2  GLU  60           HG2      GLU  60 -19.163  12.031  -1.586
  465    HG3  GLU  60           HG3      GLU  60 -18.236  11.428  -0.208
  466    H    ARG  61           H        ARG  61 -17.104  13.404  -4.078
  467    HA   ARG  61           HA       ARG  61 -18.679  11.152  -4.824
  468    HB2  ARG  61           HB2      ARG  61 -19.175  12.997  -6.059
  469    HB3  ARG  61           HB3      ARG  61 -17.538  13.628  -5.982
  470    HG2  ARG  61           HG2      ARG  61 -17.980  13.192  -8.261
  471    HG3  ARG  61           HG3      ARG  61 -16.786  12.030  -7.700
  472    HD2  ARG  61           HD2      ARG  61 -18.412  10.846  -9.055
  473    HD3  ARG  61           HD3      ARG  61 -18.672  10.371  -7.361
  474    HE   ARG  61           HE       ARG  61 -20.321  12.624  -8.085
  475   HH11  ARG  61          HH11      ARG  61 -20.044   9.119  -8.455
  476   HH12  ARG  61          HH12      ARG  61 -21.770   8.895  -8.665
  477   HH21  ARG  61          HH21      ARG  61 -22.556  12.295  -8.338
  478   HH22  ARG  61          HH22      ARG  61 -23.187  10.687  -8.591
  479    H    ASN  62           H        ASN  62 -15.220  11.929  -5.282
  480    HA   ASN  62           HA       ASN  62 -14.657   9.675  -6.972
  481    HB2  ASN  62           HB2      ASN  62 -13.038  11.587  -5.267
  482    HB3  ASN  62           HB3      ASN  62 -12.263  10.215  -6.075
  483   HD21  ASN  62          HD21      ASN  62 -14.901  12.427  -7.203
  484   HD22  ASN  62          HD22      ASN  62 -14.063  12.894  -8.671
  485    H    ALA  63           H        ALA  63 -14.693  10.154  -3.418
  486    HA   ALA  63           HA       ALA  63 -13.337   7.699  -2.798
  487    HB1  ALA  63           HB1      ALA  63 -13.584   9.545  -1.187
  488    HB2  ALA  63           HB2      ALA  63 -15.348   9.288  -1.148
  489    HB3  ALA  63           HB3      ALA  63 -14.255   8.025  -0.550
  490    H    ARG  64           H        ARG  64 -16.835   8.493  -3.168
  491    HA   ARG  64           HA       ARG  64 -17.649   5.822  -2.386
  492    HB2  ARG  64           HB2      ARG  64 -19.130   8.040  -3.849
  493    HB3  ARG  64           HB3      ARG  64 -19.868   6.565  -3.184
  494    HG2  ARG  64           HG2      ARG  64 -19.045   7.170  -0.920
  495    HG3  ARG  64           HG3      ARG  64 -18.348   8.668  -1.576
  496    HD2  ARG  64           HD2      ARG  64 -20.621   9.318  -2.373
  497    HD3  ARG  64           HD3      ARG  64 -21.288   7.895  -1.551
  498    HE   ARG  64           HE       ARG  64 -20.481  10.406  -0.355
  499   HH11  ARG  64          HH11      ARG  64 -20.799   6.939   0.325
  500   HH12  ARG  64          HH12      ARG  64 -20.846   7.190   2.058
  501   HH21  ARG  64          HH21      ARG  64 -20.564  10.670   1.876
  502   HH22  ARG  64          HH22      ARG  64 -20.801   9.288   2.926
  503    H    ALA  65           H        ALA  65 -16.490   7.243  -5.346
  504    HA   ALA  65           HA       ALA  65 -17.598   5.318  -7.160
  505    HB1  ALA  65           HB1      ALA  65 -14.978   6.856  -7.335
  506    HB2  ALA  65           HB2      ALA  65 -15.871   6.127  -8.686
  507    HB3  ALA  65           HB3      ALA  65 -16.570   7.506  -7.812
  508    H    ALA  66           H        ALA  66 -14.553   5.408  -5.215
  509    HA   ALA  66           HA       ALA  66 -13.832   2.747  -6.271
  510    HB1  ALA  66           HB1      ALA  66 -12.419   4.554  -4.281
  511    HB2  ALA  66           HB2      ALA  66 -11.755   3.085  -5.043
  512    HB3  ALA  66           HB3      ALA  66 -12.141   4.502  -6.043
  513    H    VAL  67           H        VAL  67 -15.167   4.184  -3.313
  514    HA   VAL  67           HA       VAL  67 -14.779   1.860  -1.667
  515    HB   VAL  67           HB       VAL  67 -16.527   4.326  -1.504
  516   HG11  VAL  67          HG11      VAL  67 -16.508   1.961   0.408
  517   HG12  VAL  67          HG12      VAL  67 -17.178   3.576   0.776
  518   HG13  VAL  67          HG13      VAL  67 -17.897   2.591  -0.510
  519   HG21  VAL  67          HG21      VAL  67 -14.081   4.429  -1.013
  520   HG22  VAL  67          HG22      VAL  67 -15.094   4.791   0.413
  521   HG23  VAL  67          HG23      VAL  67 -14.303   3.211   0.258
  522    H    ALA  68           H        ALA  68 -17.034   2.629  -4.211
  523    HA   ALA  68           HA       ALA  68 -18.489   0.104  -3.562
  524    HB1  ALA  68           HB1      ALA  68 -19.365   2.458  -5.273
  525    HB2  ALA  68           HB2      ALA  68 -20.324   1.005  -4.914
  526    HB3  ALA  68           HB3      ALA  68 -19.892   2.132  -3.603
  527    H    GLY  69           H        GLY  69 -16.114   1.440  -5.633
  528    HA2  GLY  69           HA2      GLY  69 -16.847  -0.250  -7.940
  529    HA3  GLY  69           HA3      GLY  69 -15.551   0.955  -7.838
  530    H    GLU  70           H        GLU  70 -14.518  -0.243  -5.245
  531    HA   GLU  70           HA       GLU  70 -13.169  -2.648  -6.445
  532    HB2  GLU  70           HB2      GLU  70 -12.038  -0.406  -4.737
  533    HB3  GLU  70           HB3      GLU  70 -11.157  -1.876  -5.189
  534    HG2  GLU  70           HG2      GLU  70 -12.297   0.112  -7.187
  535    HG3  GLU  70           HG3      GLU  70 -10.632   0.127  -6.600
  536    H    ASP  71           H        ASP  71 -15.041  -1.463  -3.758
  537    HA   ASP  71           HA       ASP  71 -13.848  -2.971  -1.687
  538    HB2  ASP  71           HB2      ASP  71 -15.484  -1.271  -1.218
  539    HB3  ASP  71           HB3      ASP  71 -16.715  -2.111  -2.165
  540    H    GLY  72           H        GLY  72 -13.771  -5.064  -1.183
  541    HA2  GLY  72           HA2      GLY  72 -14.465  -7.271  -1.028
  542    HA3  GLY  72           HA3      GLY  72 -15.812  -6.933  -2.131
  543    H    ARG  73           H        ARG  73 -12.744  -5.817  -3.314
  544    HA   ARG  73           HA       ARG  73 -12.807  -8.003  -5.297
  545    HB2  ARG  73           HB2      ARG  73 -11.586  -6.681  -6.728
  546    HB3  ARG  73           HB3      ARG  73 -12.656  -5.522  -5.905
  547    HG2  ARG  73           HG2      ARG  73 -10.867  -4.633  -4.612
  548    HG3  ARG  73           HG3      ARG  73  -9.814  -6.019  -4.939
  549    HD2  ARG  73           HD2      ARG  73 -10.806  -4.186  -7.138
  550    HD3  ARG  73           HD3      ARG  73  -9.298  -3.903  -6.249
  551    HE   ARG  73           HE       ARG  73  -9.326  -6.596  -7.170
  552   HH11  ARG  73          HH11      ARG  73  -9.031  -3.314  -8.431
  553   HH12  ARG  73          HH12      ARG  73  -8.026  -3.795  -9.780
  554   HH21  ARG  73          HH21      ARG  73  -8.029  -7.205  -8.924
  555   HH22  ARG  73          HH22      ARG  73  -7.486  -6.012 -10.078
  556    H    MET  74           H        MET  74 -10.763  -9.023  -6.022
  557    HA   MET  74           HA       MET  74  -9.034  -9.557  -3.675
  558    HB2  MET  74           HB2      MET  74 -10.008 -11.523  -4.592
  559    HB3  MET  74           HB3      MET  74  -9.513 -11.098  -6.243
  560    HG2  MET  74           HG2      MET  74  -7.229 -11.468  -5.789
  561    HG3  MET  74           HG3      MET  74  -7.456 -11.368  -4.043
  562    HE1  MET  74           HE1      MET  74  -9.750 -13.156  -3.230
  563    HE2  MET  74           HE2      MET  74  -8.832 -14.645  -2.880
  564    HE3  MET  74           HE3      MET  74  -8.132 -13.052  -2.504
  565    H    ILE  75           H        ILE  75  -6.922  -9.149  -3.610
  566    HA   ILE  75           HA       ILE  75  -5.460  -8.384  -6.054
  567    HB   ILE  75           HB       ILE  75  -5.477  -6.724  -3.498
  568   HG12  ILE  75          HG12      ILE  75  -6.530  -6.006  -6.272
  569   HG13  ILE  75          HG13      ILE  75  -7.547  -6.436  -4.891
  570   HG21  ILE  75          HG21      ILE  75  -4.040  -6.288  -6.152
  571   HG22  ILE  75          HG22      ILE  75  -4.003  -5.195  -4.753
  572   HG23  ILE  75          HG23      ILE  75  -3.281  -6.805  -4.627
  573   HD11  ILE  75          HD11      ILE  75  -5.747  -4.005  -5.084
  574   HD12  ILE  75          HD12      ILE  75  -7.527  -4.051  -5.067
  575   HD13  ILE  75          HD13      ILE  75  -6.617  -4.504  -3.616
  576    H    ALA  76           H        ALA  76  -3.451  -9.239  -6.032
  577    HA   ALA  76           HA       ALA  76  -1.787 -10.630  -5.455
  578    HB1  ALA  76           HB1      ALA  76  -1.928  -9.064  -2.866
  579    HB2  ALA  76           HB2      ALA  76  -0.530  -9.997  -3.458
  580    HB3  ALA  76           HB3      ALA  76  -1.082  -8.567  -4.354
  581    H    GLY  77           H        GLY  77  -4.647 -11.515  -4.526
  582    HA2  GLY  77           HA2      GLY  77  -4.954 -13.874  -4.216
  583    HA3  GLY  77           HA3      GLY  77  -3.550 -13.909  -3.144
  584    H    GLN  78           H        GLN  78  -5.219 -11.165  -2.219
  585    HA   GLN  78           HA       GLN  78  -7.150 -12.647  -0.501
  586    HB2  GLN  78           HB2      GLN  78  -5.121 -10.582   0.403
  587    HB3  GLN  78           HB3      GLN  78  -6.562 -10.994   1.329
  588    HG2  GLN  78           HG2      GLN  78  -5.542 -12.761   2.229
  589    HG3  GLN  78           HG3      GLN  78  -5.302 -13.469   0.628
  590   HE21  GLN  78          HE21      GLN  78  -3.415 -12.520  -0.650
  591   HE22  GLN  78          HE22      GLN  78  -1.944 -12.182   0.251
  592    H    VAL  79           H        VAL  79  -8.855 -11.325   0.330
  593    HA   VAL  79           HA       VAL  79  -9.585  -9.155  -1.560
  594    HB   VAL  79           HB       VAL  79 -11.217 -10.704   0.486
  595   HG11  VAL  79          HG11      VAL  79 -13.182  -9.611  -0.571
  596   HG12  VAL  79          HG12      VAL  79 -12.147  -8.437   0.260
  597   HG13  VAL  79          HG13      VAL  79 -12.090  -8.573  -1.511
  598   HG21  VAL  79          HG21      VAL  79 -10.577 -11.997  -1.521
  599   HG22  VAL  79          HG22      VAL  79 -12.316 -11.624  -1.538
  600   HG23  VAL  79          HG23      VAL  79 -11.203 -10.695  -2.565
  601    H    LEU  80           H        LEU  80 -10.235  -7.137  -0.878
  602    HA   LEU  80           HA       LEU  80  -9.299  -6.360   1.840
  603    HB2  LEU  80           HB2      LEU  80  -9.007  -4.053   0.550
  604    HB3  LEU  80           HB3      LEU  80  -7.718  -5.212   0.784
  605    HG   LEU  80           HG       LEU  80  -7.735  -4.257  -1.452
  606   HD11  LEU  80          HD11      LEU  80  -7.350  -6.207  -2.712
  607   HD12  LEU  80          HD12      LEU  80  -6.858  -6.573  -1.039
  608   HD13  LEU  80          HD13      LEU  80  -8.382  -7.209  -1.712
  609   HD21  LEU  80          HD21      LEU  80  -9.427  -4.714  -3.065
  610   HD22  LEU  80          HD22      LEU  80 -10.202  -3.980  -1.641
  611   HD23  LEU  80          HD23      LEU  80 -10.349  -5.725  -1.925
  612    H    ASP  81           H        ASP  81 -10.445  -4.946   2.998
  613    HA   ASP  81           HA       ASP  81 -13.274  -4.643   2.171
  614    HB2  ASP  81           HB2      ASP  81 -12.803  -5.808   4.293
  615    HB3  ASP  81           HB3      ASP  81 -11.828  -4.450   4.851
  616    H    ILE  82           H        ILE  82 -13.540  -2.784   1.032
  617    HA   ILE  82           HA       ILE  82 -11.974  -0.411   1.867
  618    HB   ILE  82           HB       ILE  82 -13.456  -1.051  -0.696
  619   HG12  ILE  82          HG12      ILE  82 -10.458  -0.792  -0.235
  620   HG13  ILE  82          HG13      ILE  82 -11.295  -2.351  -0.140
  621   HG21  ILE  82          HG21      ILE  82 -13.405   1.372  -0.186
  622   HG22  ILE  82          HG22      ILE  82 -11.635   1.289  -0.019
  623   HG23  ILE  82          HG23      ILE  82 -12.405   0.975  -1.591
  624   HD11  ILE  82          HD11      ILE  82 -12.097  -2.128  -2.421
  625   HD12  ILE  82          HD12      ILE  82 -11.318  -0.540  -2.587
  626   HD13  ILE  82          HD13      ILE  82 -10.325  -1.997  -2.372
  627    H    ASN  83           H        ASN  83 -12.975   1.485   2.483
  628    HA   ASN  83           HA       ASN  83 -15.896   1.709   2.389
  629    HB2  ASN  83           HB2      ASN  83 -15.239   0.196   4.366
  630    HB3  ASN  83           HB3      ASN  83 -14.511   1.637   5.091
  631   HD21  ASN  83          HD21      ASN  83 -15.938   3.385   5.811
  632   HD22  ASN  83          HD22      ASN  83 -17.648   3.087   5.998
  633    H    LEU  84           H        LEU  84 -16.647   3.800   3.234
  634    HA   LEU  84           HA       LEU  84 -14.925   6.005   2.659
  635    HB2  LEU  84           HB2      LEU  84 -17.670   5.522   3.299
  636    HB3  LEU  84           HB3      LEU  84 -17.063   6.619   4.544
  637    HG   LEU  84           HG       LEU  84 -18.091   7.816   2.667
  638   HD11  LEU  84          HD11      LEU  84 -16.253   8.840   3.979
  639   HD12  LEU  84          HD12      LEU  84 -15.084   8.250   2.763
  640   HD13  LEU  84          HD13      LEU  84 -16.336   9.424   2.305
  641   HD21  LEU  84          HD21      LEU  84 -15.807   6.760   0.955
  642   HD22  LEU  84          HD22      LEU  84 -17.080   7.889   0.463
  643   HD23  LEU  84          HD23      LEU  84 -17.496   6.204   0.852
  644    H    ALA  85           H        ALA  85 -13.798   7.417   4.136
  645    HA   ALA  85           HA       ALA  85 -12.697   5.918   6.344
  646    HB1  ALA  85           HB1      ALA  85 -12.184   8.779   5.468
  647    HB2  ALA  85           HB2      ALA  85 -11.165   7.809   6.560
  648    HB3  ALA  85           HB3      ALA  85 -11.328   7.334   4.854
  649    H    ALA  86           H        ALA  86 -15.496   7.744   6.192
  650    HA   ALA  86           HA       ALA  86 -15.363   8.247   9.120
  651    HB1  ALA  86           HB1      ALA  86 -16.662  10.313   8.771
  652    HB2  ALA  86           HB2      ALA  86 -15.090  10.369   7.944
  653    HB3  ALA  86           HB3      ALA  86 -16.579  10.064   7.011
  654    H    GLU  87           H        GLU  87 -16.589   6.154   7.086
  655    HA   GLU  87           HA       GLU  87 -19.267   6.173   8.372
  656    HB2  GLU  87           HB2      GLU  87 -18.807   5.572   5.431
  657    HB3  GLU  87           HB3      GLU  87 -20.351   5.566   6.300
  658    HG2  GLU  87           HG2      GLU  87 -20.032   7.990   6.820
  659    HG3  GLU  87           HG3      GLU  87 -18.574   7.989   5.815
  660    HA   PRO  88           HA       PRO  88 -17.088   1.973   8.285
  661    HB2  PRO  88           HB2      PRO  88 -16.434   1.657  10.918
  662    HB3  PRO  88           HB3      PRO  88 -15.369   2.506   9.754
  663    HG2  PRO  88           HG2      PRO  88 -17.384   3.747  11.656
  664    HG3  PRO  88           HG3      PRO  88 -15.653   4.192  11.431
  665    HD2  PRO  88           HD2      PRO  88 -17.633   5.549  10.167
  666    HD3  PRO  88           HD3      PRO  88 -16.097   5.177   9.326
  667    H    LYS  89           H        LYS  89 -18.092   0.057   8.936
  668    HA   LYS  89           HA       LYS  89 -20.485   0.243  10.672
  669    HB2  LYS  89           HB2      LYS  89 -21.855  -0.885   8.993
  670    HB3  LYS  89           HB3      LYS  89 -21.258   0.686   8.400
  671    HG2  LYS  89           HG2      LYS  89 -19.448  -0.505   7.147
  672    HG3  LYS  89           HG3      LYS  89 -20.105  -2.056   7.699
  673    HD2  LYS  89           HD2      LYS  89 -21.576   0.003   6.001
  674    HD3  LYS  89           HD3      LYS  89 -20.848  -1.497   5.408
  675    HE2  LYS  89           HE2      LYS  89 -22.345  -2.820   6.875
  676    HE3  LYS  89           HE3      LYS  89 -23.101  -1.328   7.457
  677    HZ1  LYS  89           HZ1      LYS  89 -24.370  -2.344   5.709
  678    HZ2  LYS  89           HZ2      LYS  89 -23.811  -0.878   5.222
  679    HZ3  LYS  89           HZ3      LYS  89 -23.101  -2.255   4.666
  680    H    VAL  90           H        VAL  90 -17.680  -1.286   9.885
  681    HA   VAL  90           HA       VAL  90 -18.597  -3.932  10.922
  682    HB   VAL  90           HB       VAL  90 -17.948  -3.889   8.525
  683   HG11  VAL  90          HG11      VAL  90 -15.576  -3.677   7.925
  684   HG12  VAL  90          HG12      VAL  90 -16.186  -2.164   8.626
  685   HG13  VAL  90          HG13      VAL  90 -15.167  -3.249   9.601
  686   HG21  VAL  90          HG21      VAL  90 -17.733  -5.950   9.898
  687   HG22  VAL  90          HG22      VAL  90 -16.535  -5.861   8.595
  688   HG23  VAL  90          HG23      VAL  90 -16.041  -5.512  10.261
  689    H    ASN  91           H        ASN  91 -17.067  -5.122  12.172
  690    HA   ASN  91           HA       ASN  91 -15.901  -3.460  14.224
  691    HB2  ASN  91           HB2      ASN  91 -15.597  -6.444  13.799
  692    HB3  ASN  91           HB3      ASN  91 -15.466  -5.556  15.322
  693   HD21  ASN  91          HD21      ASN  91 -17.619  -6.964  12.939
  694   HD22  ASN  91          HD22      ASN  91 -19.112  -6.740  13.832
  695    H    ARG  92           H        ARG  92 -14.738  -4.416  11.272
  696    HA   ARG  92           HA       ARG  92 -12.763  -4.883  10.331
  697    HB2  ARG  92           HB2      ARG  92 -11.205  -3.096  10.495
  698    HB3  ARG  92           HB3      ARG  92 -12.854  -2.464  10.703
  699    HG2  ARG  92           HG2      ARG  92 -12.504  -2.311  13.143
  700    HG3  ARG  92           HG3      ARG  92 -10.849  -2.938  12.940
  701    HD2  ARG  92           HD2      ARG  92 -10.626  -0.570  13.056
  702    HD3  ARG  92           HD3      ARG  92 -10.455  -0.959  11.349
  703    HE   ARG  92           HE       ARG  92 -12.546   0.034  10.903
  704   HH11  ARG  92          HH11      ARG  92 -11.896  -0.035  14.383
  705   HH12  ARG  92          HH12      ARG  92 -13.147   1.128  14.758
  706   HH21  ARG  92          HH21      ARG  92 -14.166   1.541  11.422
  707   HH22  ARG  92          HH22      ARG  92 -14.448   1.988  13.090
  708    H    GLY  93           H        GLY  93 -13.269  -6.741  12.232
  709    HA2  GLY  93           HA2      GLY  93 -11.202  -7.112  14.162
  710    HA3  GLY  93           HA3      GLY  93 -12.492  -8.246  13.723
  711    H    LYS  94           H        LYS  94  -9.984  -6.930  11.496
  712    HA   LYS  94           HA       LYS  94  -8.379  -7.883  10.300
  713    HB2  LYS  94           HB2      LYS  94  -8.129  -9.982  12.444
  714    HB3  LYS  94           HB3      LYS  94  -6.885  -9.365  11.354
  715    HG2  LYS  94           HG2      LYS  94  -7.015  -7.127  12.397
  716    HG3  LYS  94           HG3      LYS  94  -8.272  -7.699  13.507
  717    HD2  LYS  94           HD2      LYS  94  -5.440  -8.815  13.350
  718    HD3  LYS  94           HD3      LYS  94  -6.026  -7.654  14.554
  719    HE2  LYS  94           HE2      LYS  94  -7.729  -9.311  15.294
  720    HE3  LYS  94           HE3      LYS  94  -7.090 -10.476  14.125
  721    HZ1  LYS  94           HZ1      LYS  94  -5.580  -9.292  16.361
  722    HZ2  LYS  94           HZ2      LYS  94  -6.180 -10.818  16.314
  723    HZ3  LYS  94           HZ3      LYS  94  -4.984 -10.380  15.276
  724    H    ALA  95           H        ALA  95  -7.512 -10.091   9.584
  725    HA   ALA  95           HA       ALA  95  -9.415 -11.176   7.769
  726    HB1  ALA  95           HB1      ALA  95  -6.984 -10.962   7.442
  727    HB2  ALA  95           HB2      ALA  95  -6.703 -12.140   8.737
  728    HB3  ALA  95           HB3      ALA  95  -7.500 -12.657   7.211
  729    H    GLY  96           H        GLY  96  -8.626 -12.071  11.075
  730    HA2  GLY  96           HA2      GLY  96  -9.691 -13.570  12.452
  731    HA3  GLY  96           HA3      GLY  96 -10.753 -14.030  11.102
  732    H    VAL  97           H        VAL  97  -7.499 -14.215  10.161
  733    HA   VAL  97           HA       VAL  97  -7.627 -17.115  10.065
  734    HB   VAL  97           HB       VAL  97  -5.435 -15.144   9.291
  735   HG11  VAL  97          HG11      VAL  97  -5.783 -18.094   8.625
  736   HG12  VAL  97          HG12      VAL  97  -4.575 -17.012   7.890
  737   HG13  VAL  97          HG13      VAL  97  -4.491 -17.382   9.621
  738   HG21  VAL  97          HG21      VAL  97  -7.545 -16.592   7.628
  739   HG22  VAL  97          HG22      VAL  97  -7.539 -14.854   8.006
  740   HG23  VAL  97          HG23      VAL  97  -6.255 -15.546   6.988
  741    H    LYS  98           H        LYS  98  -6.166 -14.687  12.115
  742    HA   LYS  98           HA       LYS  98  -4.347 -16.595  13.412
  743    HB2  LYS  98           HB2      LYS  98  -5.070 -13.712  14.045
  744    HB3  LYS  98           HB3      LYS  98  -3.777 -14.636  14.828
  745    HG2  LYS  98           HG2      LYS  98  -3.949 -13.875  11.879
  746    HG3  LYS  98           HG3      LYS  98  -2.882 -13.152  13.083
  747    HD2  LYS  98           HD2      LYS  98  -2.798 -16.034  12.098
  748    HD3  LYS  98           HD3      LYS  98  -1.655 -14.754  11.682
  749    HE2  LYS  98           HE2      LYS  98  -2.113 -15.848  14.490
  750    HE3  LYS  98           HE3      LYS  98  -0.779 -16.286  13.417
  751    HZ1  LYS  98           HZ1      LYS  98  -0.112 -14.594  14.957
  752    HZ2  LYS  98           HZ2      LYS  98  -0.087 -13.979  13.431
  753    HZ3  LYS  98           HZ3      LYS  98  -1.302 -13.579  14.458
  754    H    ARG  99           H        ARG  99  -4.458 -17.149  15.640
  755    HA   ARG  99           HA       ARG  99  -7.232 -17.131  16.767
  756    HB2  ARG  99           HB2      ARG  99  -5.182 -19.309  16.474
  757    HB3  ARG  99           HB3      ARG  99  -6.156 -19.276  17.944
  758    HG2  ARG  99           HG2      ARG  99  -7.234 -20.711  16.341
  759    HG3  ARG  99           HG3      ARG  99  -8.232 -19.271  16.597
  760    HD2  ARG  99           HD2      ARG  99  -7.356 -18.278  14.517
  761    HD3  ARG  99           HD3      ARG  99  -6.295 -19.679  14.280
  762    HE   ARG  99           HE       ARG  99  -8.155 -21.003  13.690
  763   HH11  ARG  99          HH11      ARG  99  -9.128 -17.705  14.518
  764   HH12  ARG  99          HH12      ARG  99 -10.731 -17.885  13.844
  765   HH21  ARG  99          HH21      ARG  99 -10.247 -21.207  12.816
  766   HH22  ARG  99          HH22      ARG  99 -11.361 -19.861  12.875
  767    H    SER 100           H        SER 100  -7.451 -17.055  19.003
  768    HA   SER 100           HA       SER 100  -5.400 -15.531  20.427
  769    HB2  SER 100           HB2      SER 100  -7.798 -15.044  20.724
  770    HB3  SER 100           HB3      SER 100  -8.067 -16.709  21.296
  771    HG   SER 100           HG       SER 100  -7.781 -15.175  22.999
  772    H    ALA 101           H        ALA 101  -4.369 -16.298  22.400
  773    HA   ALA 101           HA       ALA 101  -3.374 -18.966  22.121
  774    HB1  ALA 101           HB1      ALA 101  -3.144 -16.995  24.430
  775    HB2  ALA 101           HB2      ALA 101  -2.121 -18.427  24.172
  776    HB3  ALA 101           HB3      ALA 101  -2.065 -17.078  23.017
  777    H    ALA 102           H        ALA 102  -6.341 -17.994  23.304
  778    HA   ALA 102           HA       ALA 102  -6.532 -20.317  25.165
  779    HB1  ALA 102           HB1      ALA 102  -8.236 -17.820  24.882
  780    HB2  ALA 102           HB2      ALA 102  -8.474 -19.104  26.091
  781    HB3  ALA 102           HB3      ALA 102  -7.009 -18.095  26.148
  782    H    GLU 103           H        GLU 103  -7.161 -19.398  22.017
  783    HA   GLU 103           HA       GLU 103  -9.527 -21.199  21.817
  784    HB2  GLU 103           HB2      GLU 103  -8.921 -18.710  20.179
  785    HB3  GLU 103           HB3      GLU 103 -10.296 -19.811  19.939
  786    HG2  GLU 103           HG2      GLU 103 -11.060 -19.320  22.257
  787    HG3  GLU 103           HG3      GLU 103  -9.742 -18.145  22.422
  788    H    MET 104           H        MET 104  -6.372 -21.378  21.396
  789    HA   MET 104           HA       MET 104  -6.199 -21.983  18.575
  790    HB2  MET 104           HB2      MET 104  -4.236 -22.801  20.740
  791    HB3  MET 104           HB3      MET 104  -3.970 -22.726  18.985
  792    HG2  MET 104           HG2      MET 104  -4.639 -20.222  19.219
  793    HG3  MET 104           HG3      MET 104  -4.357 -20.481  20.949
  794    HE1  MET 104           HE1      MET 104  -2.501 -21.763  17.657
  795    HE2  MET 104           HE2      MET 104  -2.949 -20.059  17.423
  796    HE3  MET 104           HE3      MET 104  -1.232 -20.522  17.553
  797    H    TYR 105           H        TYR 105  -5.175 -24.202  17.962
  798    HA   TYR 105           HA       TYR 105  -7.254 -26.157  18.404
  799    HB2  TYR 105           HB2      TYR 105  -4.606 -26.419  16.937
  800    HB3  TYR 105           HB3      TYR 105  -6.044 -27.418  16.725
  801    HD1  TYR 105           HD2      TYR 105  -4.574 -24.057  16.189
  802    HD2  TYR 105           HD1      TYR 105  -7.885 -26.667  15.333
  803    HE1  TYR 105           HE2      TYR 105  -5.395 -22.444  14.498
  804    HE2  TYR 105           HE1      TYR 105  -8.695 -25.079  13.610
  805    HH   TYR 105           HH       TYR 105  -8.337 -23.103  12.536
  806    H    GLY 106           H        GLY 106  -4.377 -25.427  20.085
  807    HA2  GLY 106           HA2      GLY 106  -4.643 -27.467  21.998
  808    HA3  GLY 106           HA3      GLY 106  -3.445 -28.026  20.814
  809    H5'    A   1           H5'        A   1   2.632 -12.714   8.397
  810   H5''    A   1          H5''        A   1   4.082 -12.288   7.464
  811    H4'    A   1           H4'        A   1   3.677 -11.650  10.430
  812    H3'    A   1           H3'        A   1   2.223 -10.368   8.584
  813    H2'    A   1           H2'        A   1   3.920 -10.159   6.926
  814   HO2'    A   1          HO2'        A   1   4.035  -7.815   8.538
  815    H1'    A   1           H1'        A   1   5.937  -9.113   8.837
  816    H8     A   1           H8         A   1   6.335  -8.705   5.953
  817    H61    A   1           H61        A   1   9.696 -13.616   4.202
  818    H62    A   1           H62        A   1   9.169 -12.002   3.763
  819    H2     A   1           H2         A   1   7.894 -14.587   8.067
  820    H5'    U   2           H5'        U   2   1.476  -7.079   9.176
  821   H5''    U   2          H5''        U   2   0.641  -6.719  10.697
  822    H4'    U   2           H4'        U   2  -0.870  -5.980   9.066
  823    H3'    U   2           H3'        U   2  -1.685  -8.014  10.713
  824    H2'    U   2           H2'        U   2  -1.103  -9.718   9.062
  825   HO2'    U   2          HO2'        U   2  -3.849  -9.068   8.942
  826    H1'    U   2           H1'        U   2  -2.473  -7.939   7.037
  827    H3     U   2           H3         U   2  -2.156 -11.308   4.004
  828    H5     U   2           H5         U   2   1.464 -11.578   6.124
  829    H6     U   2           H6         U   2   0.770  -9.658   7.440
  830    H5'    U   3           H5'        U   3  -6.743  -6.118   9.092
  831   H5''    U   3          H5''        U   3  -5.264  -5.822   8.156
  832    H4'    U   3           H4'        U   3  -5.337  -3.505   8.498
  833    H3'    U   3           H3'        U   3  -6.068  -3.909  11.081
  834    H2'    U   3           H2'        U   3  -8.229  -4.748  10.624
  835   HO2'    U   3          HO2'        U   3  -8.235  -2.523  11.796
  836    H1'    U   3           H1'        U   3  -8.718  -2.560   8.607
  837    H3     U   3           H3         U   3 -12.622  -4.321   7.199
  838    H5     U   3           H5         U   3 -10.614  -7.660   8.785
  839    H6     U   3           H6         U   3  -8.714  -6.220   9.237
  840    H5'    U   4           H5'        U   4  -8.064   0.655  11.417
  841   H5''    U   4          H5''        U   4  -7.437   0.499   9.766
  842    H4'    U   4           H4'        U   4  -6.061   2.666  10.365
  843    H3'    U   4           H3'        U   4  -7.274   2.376  12.864
  844    H2'    U   4           H2'        U   4  -9.481   2.617  12.002
  845   HO2'    U   4          HO2'        U   4  -8.529   5.207  12.687
  846    H1'    U   4           H1'        U   4  -8.399   4.850  10.259
  847    H3     U   4           H3         U   4 -12.417   5.941   8.593
  848    H5     U   4           H5         U   4 -12.827   1.827   9.335
  849    H6     U   4           H6         U   4 -10.557   1.815  10.207
  850    H5'    U   5           H5'        U   5  -4.218   3.224  10.592
  851   H5''    U   5          H5''        U   5  -2.854   3.200  11.723
  852    H4'    U   5           H4'        U   5  -1.919   3.879   9.679
  853    H3'    U   5           H3'        U   5  -1.790   5.618  11.807
  854    H2'    U   5           H2'        U   5  -3.607   6.992  11.183
  855   HO2'    U   5          HO2'        U   5  -1.387   8.136  10.891
  856    H1'    U   5           H1'        U   5  -2.801   6.875   8.283
  857    H3     U   5           H3         U   5  -6.501   9.014   6.972
  858    H5     U   5           H5         U   5  -7.813   6.942  10.392
  859    H6     U   5           H6         U   5  -5.562   6.037  10.616
  860    H5'    U   6           H5'        U   6   1.458   4.910   8.773
  861   H5''    U   6          H5''        U   6   2.909   5.096   9.752
  862    H4'    U   6           H4'        U   6   3.380   5.045   7.328
  863    H3'    U   6           H3'        U   6   4.560   6.727   9.166
  864    H2'    U   6           H2'        U   6   3.160   8.617   8.751
  865   HO2'    U   6          HO2'        U   6   5.265   8.731   6.843
  866    H1'    U   6           H1'        U   6   3.120   8.180   5.784
  867    H3     U   6           H3         U   6   0.922  12.140   6.444
  868    H5     U   6           H5         U   6  -1.564   9.176   8.089
  869    H6     U   6           H6         U   6   0.244   7.599   7.827
  870    H5'    C   7           H5'        C   7   4.372   5.126   5.171
  871   H5''    C   7          H5''        C   7   4.704   3.428   5.571
  872    H4'    C   7           H4'        C   7   6.154   4.849   3.312
  873    H3'    C   7           H3'        C   7   3.492   3.391   3.183
  874    H2'    C   7           H2'        C   7   4.126   2.891   0.913
  875   HO2'    C   7          HO2'        C   7   5.010   5.051   0.521
  876    H1'    C   7           H1'        C   7   6.812   2.476   1.584
  877    H41    C   7           H41        C   7   3.239  -3.097   2.195
  878    H42    C   7           H42        C   7   3.891  -3.153   0.570
  879    H5     C   7           H5         C   7   5.256  -1.374  -0.363
  880    H6     C   7           H6         C   7   6.148   0.846   0.026
  Start of MODEL   12
    1    H1   ALA   2           H        ALA   2   1.946  10.657  -6.920
    2    H2   ALA   2           H2       ALA   2   1.057   9.448  -6.222
    3    HA   ALA   2           HA       ALA   2   0.311  12.283  -6.349
    4    HB1  ALA   2           HB1      ALA   2  -1.596  11.665  -4.939
    5    HB2  ALA   2           HB2      ALA   2  -1.635  10.766  -6.466
    6    HB3  ALA   2           HB3      ALA   2  -1.088   9.959  -4.973
    7    H    SER   3           H        SER   3  -0.113  13.028  -3.954
    8    HA   SER   3           HA       SER   3   2.406  12.994  -2.627
    9    HB2  SER   3           HB2      SER   3   0.710  14.842  -2.608
   10    HB3  SER   3           HB3      SER   3  -0.302  13.851  -1.537
   11    HG   SER   3           HG       SER   3   1.085  15.335  -0.431
   12    H    ASN   4           H        ASN   4   2.311  12.650  -0.069
   13    HA   ASN   4           HA       ASN   4   1.515   9.809   0.276
   14    HB2  ASN   4           HB2      ASN   4   3.456   9.540   1.707
   15    HB3  ASN   4           HB3      ASN   4   3.921  10.124   0.107
   16   HD21  ASN   4          HD21      ASN   4   5.796  10.401   1.968
   17   HD22  ASN   4          HD22      ASN   4   5.930  12.051   2.527
   18    H    VAL   5           H        VAL   5  -0.267  12.070   0.906
   19    HA   VAL   5           HA       VAL   5  -0.348  11.846   3.885
   20    HB   VAL   5           HB       VAL   5  -1.055  14.272   2.187
   21   HG11  VAL   5          HG11      VAL   5  -1.197  15.403   4.365
   22   HG12  VAL   5          HG12      VAL   5  -2.340  14.048   4.297
   23   HG13  VAL   5          HG13      VAL   5  -0.815  13.881   5.201
   24   HG21  VAL   5          HG21      VAL   5   1.348  13.922   2.162
   25   HG22  VAL   5          HG22      VAL   5   0.973  15.268   3.258
   26   HG23  VAL   5          HG23      VAL   5   1.374  13.664   3.924
   27    H    THR   6           H        THR   6  -2.175  11.158   4.725
   28    HA   THR   6           HA       THR   6  -4.691  11.423   3.240
   29    HB   THR   6           HB       THR   6  -5.203   9.007   3.394
   30    HG1  THR   6           HG1      THR   6  -3.814   8.476   5.105
   31   HG21  THR   6          HG21      THR   6  -2.538   9.418   1.994
   32   HG22  THR   6          HG22      THR   6  -3.751   8.169   1.655
   33   HG23  THR   6          HG23      THR   6  -4.123   9.871   1.306
   34    H    ASN   7           H        ASN   7  -3.467  12.341   5.935
   35    HA   ASN   7           HA       ASN   7  -5.495  11.031   7.681
   36    HB2  ASN   7           HB2      ASN   7  -3.171  10.281   8.078
   37    HB3  ASN   7           HB3      ASN   7  -2.738  11.944   8.541
   38   HD21  ASN   7          HD21      ASN   7  -2.149  11.303  10.634
   39   HD22  ASN   7          HD22      ASN   7  -3.335  10.832  11.831
   40    H    LYS   8           H        LYS   8  -5.853  13.562   6.204
   41    HA   LYS   8           HA       LYS   8  -5.799  15.673   8.230
   42    HB2  LYS   8           HB2      LYS   8  -6.986  15.348   5.466
   43    HB3  LYS   8           HB3      LYS   8  -7.476  16.693   6.500
   44    HG2  LYS   8           HG2      LYS   8  -5.698  17.313   4.938
   45    HG3  LYS   8           HG3      LYS   8  -5.233  17.561   6.620
   46    HD2  LYS   8           HD2      LYS   8  -4.478  15.004   5.184
   47    HD3  LYS   8           HD3      LYS   8  -3.553  16.484   4.909
   48    HE2  LYS   8           HE2      LYS   8  -3.999  15.261   7.664
   49    HE3  LYS   8           HE3      LYS   8  -2.556  15.035   6.672
   50    HZ1  LYS   8           HZ1      LYS   8  -3.557  17.625   7.653
   51    HZ2  LYS   8           HZ2      LYS   8  -2.279  16.798   8.261
   52    HZ3  LYS   8           HZ3      LYS   8  -2.211  17.399   6.734
   53    H    THR   9           H        THR   9  -7.927  16.763   8.897
   54    HA   THR   9           HA       THR   9  -9.992  14.684   9.421
   55    HB   THR   9           HB       THR   9 -10.172  15.489  11.761
   56    HG1  THR   9           HG1      THR   9  -8.421  16.710  12.546
   57   HG21  THR   9          HG21      THR   9  -8.872  13.457  11.166
   58   HG22  THR   9          HG22      THR   9  -7.407  14.452  11.001
   59   HG23  THR   9          HG23      THR   9  -8.205  14.292  12.581
   60    H    ASP  10           H        ASP  10  -9.743  17.132   7.601
   61    HA   ASP  10           HA       ASP  10 -11.621  19.058   8.597
   62    HB2  ASP  10           HB2      ASP  10 -10.671  18.376   5.790
   63    HB3  ASP  10           HB3      ASP  10 -11.649  19.784   6.193
   64    HA   PRO  11           HA       PRO  11 -15.455  17.140   8.064
   65    HB2  PRO  11           HB2      PRO  11 -17.097  19.177   7.219
   66    HB3  PRO  11           HB3      PRO  11 -16.389  19.081   8.869
   67    HG2  PRO  11           HG2      PRO  11 -15.351  20.624   6.474
   68    HG3  PRO  11           HG3      PRO  11 -15.610  21.227   8.150
   69    HD2  PRO  11           HD2      PRO  11 -13.162  20.419   7.325
   70    HD3  PRO  11           HD3      PRO  11 -13.749  19.999   8.966
   71    H    ARG  12           H        ARG  12 -13.810  18.235   5.272
   72    HA   ARG  12           HA       ARG  12 -15.696  16.630   3.606
   73    HB2  ARG  12           HB2      ARG  12 -15.346  18.082   1.729
   74    HB3  ARG  12           HB3      ARG  12 -15.917  19.020   3.111
   75    HG2  ARG  12           HG2      ARG  12 -14.261  20.372   2.214
   76    HG3  ARG  12           HG3      ARG  12 -13.416  19.573   3.547
   77    HD2  ARG  12           HD2      ARG  12 -12.356  18.007   1.955
   78    HD3  ARG  12           HD3      ARG  12 -13.338  18.668   0.634
   79    HE   ARG  12           HE       ARG  12 -11.778  20.716   1.943
   80   HH11  ARG  12          HH11      ARG  12 -11.590  18.070  -0.388
   81   HH12  ARG  12          HH12      ARG  12 -10.227  18.758  -1.243
   82   HH21  ARG  12          HH21      ARG  12  -9.993  21.593   0.815
   83   HH22  ARG  12          HH22      ARG  12  -9.326  20.742  -0.560
   84    H    SER  13           H        SER  13 -12.712  16.697   4.990
   85    HA   SER  13           HA       SER  13 -11.445  15.195   2.754
   86    HB2  SER  13           HB2      SER  13 -10.212  16.341   5.275
   87    HB3  SER  13           HB3      SER  13  -9.347  15.524   3.956
   88    HG   SER  13           HG       SER  13  -9.330  17.806   3.731
   89    H    MET  14           H        MET  14 -12.980  14.802   5.855
   90    HA   MET  14           HA       MET  14 -11.776  12.210   6.414
   91    HB2  MET  14           HB2      MET  14 -14.072  13.887   7.483
   92    HB3  MET  14           HB3      MET  14 -13.908  12.209   8.003
   93    HG2  MET  14           HG2      MET  14 -11.364  13.654   8.099
   94    HG3  MET  14           HG3      MET  14 -12.598  14.415   9.097
   95    HE1  MET  14           HE1      MET  14 -11.530   9.919   9.609
   96    HE2  MET  14           HE2      MET  14 -12.795  10.486   8.502
   97    HE3  MET  14           HE3      MET  14 -11.102  10.892   8.178
   98    H    ASN  15           H        ASN  15 -14.154  13.348   4.230
   99    HA   ASN  15           HA       ASN  15 -15.271  10.606   3.928
  100    HB2  ASN  15           HB2      ASN  15 -17.277  11.911   2.927
  101    HB3  ASN  15           HB3      ASN  15 -17.070  11.858   4.683
  102   HD21  ASN  15          HD21      ASN  15 -16.439  13.712   5.834
  103   HD22  ASN  15          HD22      ASN  15 -16.536  15.305   5.107
  104    H    SER  16           H        SER  16 -13.071  12.646   2.585
  105    HA   SER  16           HA       SER  16 -13.741  11.804  -0.182
  106    HB2  SER  16           HB2      SER  16 -12.198  13.505  -0.929
  107    HB3  SER  16           HB3      SER  16 -13.335  14.232   0.235
  108    HG   SER  16           HG       SER  16 -11.168  14.803   0.645
  109    H    ARG  17           H        ARG  17 -12.330  10.445   2.344
  110    HA   ARG  17           HA       ARG  17  -9.962   9.418   0.843
  111    HB2  ARG  17           HB2      ARG  17 -10.586   9.514   3.802
  112    HB3  ARG  17           HB3      ARG  17  -9.237   8.595   3.080
  113    HG2  ARG  17           HG2      ARG  17  -8.614  10.806   1.899
  114    HG3  ARG  17           HG3      ARG  17  -9.682  11.596   3.071
  115    HD2  ARG  17           HD2      ARG  17  -7.272   9.813   3.635
  116    HD3  ARG  17           HD3      ARG  17  -7.357  11.565   3.877
  117    HE   ARG  17           HE       ARG  17  -8.634   9.475   5.543
  118   HH11  ARG  17          HH11      ARG  17  -8.248  12.897   4.802
  119   HH12  ARG  17          HH12      ARG  17  -8.513  13.407   6.462
  120   HH21  ARG  17          HH21      ARG  17  -8.928  10.173   7.719
  121   HH22  ARG  17          HH22      ARG  17  -8.935  11.890   8.076
  122    H    VAL  18           H        VAL  18  -9.385   7.182   1.293
  123    HA   VAL  18           HA       VAL  18 -11.774   5.399   1.478
  124    HB   VAL  18           HB       VAL  18  -9.349   5.030  -0.323
  125   HG11  VAL  18          HG11      VAL  18 -10.763   3.286  -1.359
  126   HG12  VAL  18          HG12      VAL  18 -10.434   2.950   0.354
  127   HG13  VAL  18          HG13      VAL  18 -12.020   3.594  -0.138
  128   HG21  VAL  18          HG21      VAL  18 -10.896   5.525  -2.199
  129   HG22  VAL  18          HG22      VAL  18 -12.148   6.007  -1.025
  130   HG23  VAL  18          HG23      VAL  18 -10.639   6.940  -1.166
  131    H    PHE  19           H        PHE  19 -11.590   3.958   3.082
  132    HA   PHE  19           HA       PHE  19  -8.918   3.329   4.207
  133    HB2  PHE  19           HB2      PHE  19 -10.673   3.923   5.782
  134    HB3  PHE  19           HB3      PHE  19 -11.767   2.740   5.082
  135    HD1  PHE  19           HD1      PHE  19  -8.144   2.423   6.096
  136    HD2  PHE  19           HD2      PHE  19 -12.207   1.155   6.712
  137    HE1  PHE  19           HE1      PHE  19  -7.366   0.723   7.718
  138    HE2  PHE  19           HE2      PHE  19 -11.424  -0.548   8.334
  139    HZ   PHE  19           HZ       PHE  19  -9.006  -0.770   8.835
  140    H    ILE  20           H        ILE  20  -7.920   1.403   3.728
  141    HA   ILE  20           HA       ILE  20  -9.486  -0.591   2.147
  142    HB   ILE  20           HB       ILE  20  -6.608   0.288   1.721
  143   HG12  ILE  20          HG12      ILE  20  -9.002   0.758  -0.105
  144   HG13  ILE  20          HG13      ILE  20  -8.395   1.968   1.033
  145   HG21  ILE  20          HG21      ILE  20  -8.395  -1.618   0.133
  146   HG22  ILE  20          HG22      ILE  20  -6.723  -1.176  -0.274
  147   HG23  ILE  20          HG23      ILE  20  -7.059  -2.112   1.188
  148   HD11  ILE  20          HD11      ILE  20  -6.763   0.717  -1.214
  149   HD12  ILE  20          HD12      ILE  20  -7.452   2.352  -1.195
  150   HD13  ILE  20          HD13      ILE  20  -6.174   1.920  -0.042
  151    H    GLY  21           H        GLY  21  -9.858  -1.777   4.039
  152    HA2  GLY  21           HA2      GLY  21  -7.573  -2.615   5.691
  153    HA3  GLY  21           HA3      GLY  21  -9.286  -2.933   5.993
  154    H    ASN  22           H        ASN  22  -7.596  -4.920   6.450
  155    HA   ASN  22           HA       ASN  22  -7.087  -7.045   6.077
  156    HB2  ASN  22           HB2      ASN  22  -9.624  -7.006   5.863
  157    HB3  ASN  22           HB3      ASN  22  -9.399  -7.166   4.117
  158   HD21  ASN  22          HD21      ASN  22  -8.721  -9.173   3.256
  159   HD22  ASN  22          HD22      ASN  22  -8.622 -10.621   4.235
  160    H    LEU  23           H        LEU  23  -5.998  -4.912   4.166
  161    HA   LEU  23           HA       LEU  23  -5.611  -6.194   1.624
  162    HB2  LEU  23           HB2      LEU  23  -5.593  -3.740   2.052
  163    HB3  LEU  23           HB3      LEU  23  -4.110  -3.921   2.991
  164    HG   LEU  23           HG       LEU  23  -2.912  -4.691   0.962
  165   HD11  LEU  23          HD11      LEU  23  -5.575  -4.150  -0.430
  166   HD12  LEU  23          HD12      LEU  23  -4.031  -4.498  -1.249
  167   HD13  LEU  23          HD13      LEU  23  -4.802  -5.747  -0.259
  168   HD21  LEU  23          HD21      LEU  23  -2.942  -2.302   1.463
  169   HD22  LEU  23          HD22      LEU  23  -4.514  -2.122   0.644
  170   HD23  LEU  23          HD23      LEU  23  -3.069  -2.530  -0.297
  171    H    ASN  24           H        ASN  24  -3.614  -7.089   0.773
  172    HA   ASN  24           HA       ASN  24  -2.433  -8.967   2.566
  173    HB2  ASN  24           HB2      ASN  24  -1.156  -9.687   0.702
  174    HB3  ASN  24           HB3      ASN  24  -2.733  -9.210   0.060
  175   HD21  ASN  24          HD21      ASN  24  -2.903  -7.177  -1.145
  176   HD22  ASN  24          HD22      ASN  24  -1.460  -6.450  -1.826
  177    H    THR  25           H        THR  25  -1.297  -5.876   1.235
  178    HA   THR  25           HA       THR  25   0.446  -4.564   1.590
  179    HB   THR  25           HB       THR  25   0.910  -3.938   3.864
  180    HG1  THR  25           HG1      THR  25  -0.245  -6.445   4.441
  181   HG21  THR  25          HG21      THR  25  -1.300  -3.389   2.819
  182   HG22  THR  25          HG22      THR  25  -1.989  -4.838   3.598
  183   HG23  THR  25          HG23      THR  25  -1.379  -3.502   4.588
  184    H    LEU  26           H        LEU  26   1.142  -7.688   1.351
  185    HA   LEU  26           HA       LEU  26   3.988  -7.340   2.176
  186    HB2  LEU  26           HB2      LEU  26   2.672  -9.853   1.109
  187    HB3  LEU  26           HB3      LEU  26   4.251  -9.689   1.866
  188    HG   LEU  26           HG       LEU  26   1.529  -9.699   3.147
  189   HD11  LEU  26          HD11      LEU  26   4.196 -11.078   3.654
  190   HD12  LEU  26          HD12      LEU  26   2.708 -11.376   4.573
  191   HD13  LEU  26          HD13      LEU  26   2.775 -11.784   2.845
  192   HD21  LEU  26          HD21      LEU  26   2.621  -7.716   4.141
  193   HD22  LEU  26          HD22      LEU  26   4.077  -8.695   4.483
  194   HD23  LEU  26          HD23      LEU  26   2.526  -9.054   5.290
  195    H    VAL  27           H        VAL  27   1.871  -7.393  -0.577
  196    HA   VAL  27           HA       VAL  27   4.210  -7.562  -2.430
  197    HB   VAL  27           HB       VAL  27   1.330  -8.377  -2.965
  198   HG11  VAL  27          HG11      VAL  27   3.923  -8.829  -4.502
  199   HG12  VAL  27          HG12      VAL  27   2.341  -9.523  -4.930
  200   HG13  VAL  27          HG13      VAL  27   2.577  -7.770  -4.997
  201   HG21  VAL  27          HG21      VAL  27   2.283  -9.902  -1.303
  202   HG22  VAL  27          HG22      VAL  27   2.171 -10.711  -2.873
  203   HG23  VAL  27          HG23      VAL  27   3.745 -10.106  -2.300
  204    H    VAL  28           H        VAL  28   1.405  -5.792  -1.336
  205    HA   VAL  28           HA       VAL  28   1.283  -4.078  -3.691
  206    HB   VAL  28           HB       VAL  28  -0.526  -4.778  -1.794
  207   HG11  VAL  28          HG11      VAL  28   0.271  -1.927  -1.096
  208   HG12  VAL  28          HG12      VAL  28  -0.979  -2.923  -0.322
  209   HG13  VAL  28          HG13      VAL  28   0.741  -3.343  -0.114
  210   HG21  VAL  28          HG21      VAL  28  -1.954  -3.006  -2.694
  211   HG22  VAL  28          HG22      VAL  28  -0.532  -2.154  -3.332
  212   HG23  VAL  28          HG23      VAL  28  -0.999  -3.747  -3.987
  213    H    LYS  29           H        LYS  29   1.418  -1.610  -3.293
  214    HA   LYS  29           HA       LYS  29   3.262  -0.708  -1.228
  215    HB2  LYS  29           HB2      LYS  29   4.940   0.126  -2.914
  216    HB3  LYS  29           HB3      LYS  29   4.902  -1.629  -2.719
  217    HG2  LYS  29           HG2      LYS  29   3.098  -1.316  -4.777
  218    HG3  LYS  29           HG3      LYS  29   4.135   0.093  -5.044
  219    HD2  LYS  29           HD2      LYS  29   4.994  -1.768  -6.327
  220    HD3  LYS  29           HD3      LYS  29   6.119  -1.472  -4.970
  221    HE2  LYS  29           HE2      LYS  29   5.067  -3.308  -3.700
  222    HE3  LYS  29           HE3      LYS  29   3.900  -3.562  -5.006
  223    HZ1  LYS  29           HZ1      LYS  29   5.730  -4.133  -6.448
  224    HZ2  LYS  29           HZ2      LYS  29   6.812  -3.907  -5.232
  225    HZ3  LYS  29           HZ3      LYS  29   5.704  -5.118  -5.130
  226    H    LYS  30           H        LYS  30   3.924   1.625  -1.775
  227    HA   LYS  30           HA       LYS  30   1.582   3.223  -1.952
  228    HB2  LYS  30           HB2      LYS  30   3.519   3.987  -0.757
  229    HB3  LYS  30           HB3      LYS  30   4.555   3.779  -2.175
  230    HG2  LYS  30           HG2      LYS  30   4.110   6.131  -1.766
  231    HG3  LYS  30           HG3      LYS  30   3.458   5.626  -3.326
  232    HD2  LYS  30           HD2      LYS  30   1.186   5.620  -2.429
  233    HD3  LYS  30           HD3      LYS  30   1.802   5.847  -0.777
  234    HE2  LYS  30           HE2      LYS  30   0.948   7.960  -1.775
  235    HE3  LYS  30           HE3      LYS  30   2.650   8.045  -1.313
  236    HZ1  LYS  30           HZ1      LYS  30   3.230   7.685  -3.613
  237    HZ2  LYS  30           HZ2      LYS  30   1.649   7.615  -4.054
  238    HZ3  LYS  30           HZ3      LYS  30   2.271   9.008  -3.469
  239    H    SER  31           H        SER  31   3.787   2.023  -4.453
  240    HA   SER  31           HA       SER  31   2.705   3.895  -6.443
  241    HB2  SER  31           HB2      SER  31   4.647   1.574  -6.751
  242    HB3  SER  31           HB3      SER  31   4.295   2.825  -7.965
  243    HG   SER  31           HG       SER  31   5.138   4.363  -6.537
  244    H    ASP  32           H        ASP  32   1.700   0.932  -5.090
  245    HA   ASP  32           HA       ASP  32   0.335   0.077  -7.582
  246    HB2  ASP  32           HB2      ASP  32   0.883  -1.141  -4.875
  247    HB3  ASP  32           HB3      ASP  32  -0.406  -1.785  -5.882
  248    H    VAL  33           H        VAL  33  -0.371   1.204  -4.211
  249    HA   VAL  33           HA       VAL  33  -3.202   0.902  -4.572
  250    HB   VAL  33           HB       VAL  33  -1.634   2.639  -2.626
  251   HG11  VAL  33          HG11      VAL  33  -4.529   1.684  -2.595
  252   HG12  VAL  33          HG12      VAL  33  -3.714   2.549  -1.271
  253   HG13  VAL  33          HG13      VAL  33  -3.984   3.365  -2.824
  254   HG21  VAL  33          HG21      VAL  33  -1.110   0.225  -2.442
  255   HG22  VAL  33          HG22      VAL  33  -2.089   0.757  -1.060
  256   HG23  VAL  33          HG23      VAL  33  -2.845  -0.155  -2.391
  257    H    GLU  34           H        GLU  34  -0.911   3.581  -5.235
  258    HA   GLU  34           HA       GLU  34  -3.079   5.366  -5.960
  259    HB2  GLU  34           HB2      GLU  34  -1.398   6.946  -6.520
  260    HB3  GLU  34           HB3      GLU  34  -0.892   6.137  -5.025
  261    HG2  GLU  34           HG2      GLU  34   0.616   4.673  -6.364
  262    HG3  GLU  34           HG3      GLU  34   0.133   5.540  -7.831
  263    H    ALA  35           H        ALA  35  -2.086   2.613  -7.408
  264    HA   ALA  35           HA       ALA  35  -2.583   3.679 -10.149
  265    HB1  ALA  35           HB1      ALA  35  -1.010   1.223  -9.269
  266    HB2  ALA  35           HB2      ALA  35  -1.249   1.765 -10.943
  267    HB3  ALA  35           HB3      ALA  35  -0.306   2.767  -9.814
  268    H    ILE  36           H        ILE  36  -3.873   1.841  -7.595
  269    HA   ILE  36           HA       ILE  36  -5.563   0.182  -9.407
  270    HB   ILE  36           HB       ILE  36  -4.873   0.038  -6.455
  271   HG12  ILE  36          HG12      ILE  36  -4.422  -2.046  -8.623
  272   HG13  ILE  36          HG13      ILE  36  -3.250  -0.758  -8.328
  273   HG21  ILE  36          HG21      ILE  36  -6.770  -1.707  -8.080
  274   HG22  ILE  36          HG22      ILE  36  -6.201  -2.069  -6.433
  275   HG23  ILE  36          HG23      ILE  36  -7.215  -0.649  -6.721
  276   HD11  ILE  36          HD11      ILE  36  -2.577  -2.704  -7.064
  277   HD12  ILE  36          HD12      ILE  36  -3.104  -1.435  -5.936
  278   HD13  ILE  36          HD13      ILE  36  -4.174  -2.817  -6.288
  279    H    PHE  37           H        PHE  37  -5.594   2.945  -7.263
  280    HA   PHE  37           HA       PHE  37  -8.581   2.969  -7.332
  281    HB2  PHE  37           HB2      PHE  37  -6.550   4.155  -5.423
  282    HB3  PHE  37           HB3      PHE  37  -8.249   4.621  -5.417
  283    HD1  PHE  37           HD2      PHE  37  -6.087   1.545  -5.268
  284    HD2  PHE  37           HD1      PHE  37  -9.758   3.447  -4.095
  285    HE1  PHE  37           HE2      PHE  37  -6.666  -0.428  -3.898
  286    HE2  PHE  37           HE1      PHE  37 -10.349   1.465  -2.727
  287    HZ   PHE  37           HZ       PHE  37  -8.780  -0.471  -2.605
  288    H    SER  38           H        SER  38  -5.848   4.397  -8.816
  289    HA   SER  38           HA       SER  38  -6.962   7.046  -9.110
  290    HB2  SER  38           HB2      SER  38  -4.548   6.545  -9.207
  291    HB3  SER  38           HB3      SER  38  -4.799   5.649 -10.724
  292    HG   SER  38           HG       SER  38  -5.640   7.619 -11.593
  293    H    LYS  39           H        LYS  39  -7.987   4.108 -10.368
  294    HA   LYS  39           HA       LYS  39  -8.820   5.173 -12.981
  295    HB2  LYS  39           HB2      LYS  39  -9.689   2.933 -13.367
  296    HB3  LYS  39           HB3      LYS  39  -8.022   2.829 -12.762
  297    HG2  LYS  39           HG2      LYS  39  -8.835   2.329 -10.506
  298    HG3  LYS  39           HG3      LYS  39 -10.516   2.541 -11.032
  299    HD2  LYS  39           HD2      LYS  39 -10.259   0.657 -12.624
  300    HD3  LYS  39           HD3      LYS  39  -8.589   0.414 -12.057
  301    HE2  LYS  39           HE2      LYS  39  -9.398  -0.017  -9.781
  302    HE3  LYS  39           HE3      LYS  39 -11.058   0.351 -10.278
  303    HZ1  LYS  39           HZ1      LYS  39 -10.678  -1.989 -10.190
  304    HZ2  LYS  39           HZ2      LYS  39 -10.973  -1.549 -11.744
  305    HZ3  LYS  39           HZ3      LYS  39  -9.433  -1.897 -11.263
  306    H    TYR  40           H        TYR  40  -9.946   5.428  -9.822
  307    HA   TYR  40           HA       TYR  40 -12.776   5.675 -10.730
  308    HB2  TYR  40           HB2      TYR  40 -11.521   4.493  -8.275
  309    HB3  TYR  40           HB3      TYR  40 -13.071   5.302  -8.102
  310    HD1  TYR  40           HD2      TYR  40 -14.769   4.669 -10.182
  311    HD2  TYR  40           HD1      TYR  40 -11.696   2.175  -8.502
  312    HE1  TYR  40           HE2      TYR  40 -15.987   2.656 -10.960
  313    HE2  TYR  40           HE1      TYR  40 -12.926   0.150  -9.262
  314    HH   TYR  40           HH       TYR  40 -14.752  -0.660 -10.378
  315    H    GLY  41           H        GLY  41 -10.092   7.482  -9.881
  316    HA2  GLY  41           HA2      GLY  41 -11.526   9.892  -9.750
  317    HA3  GLY  41           HA3      GLY  41 -11.265   9.368  -8.077
  318    H    LYS  42           H        LYS  42 -10.193  11.743  -8.875
  319    HA   LYS  42           HA       LYS  42  -7.391  11.385  -9.632
  320    HB2  LYS  42           HB2      LYS  42  -8.478  13.415 -10.363
  321    HB3  LYS  42           HB3      LYS  42  -9.083  13.746  -8.731
  322    HG2  LYS  42           HG2      LYS  42  -7.167  15.197  -9.253
  323    HG3  LYS  42           HG3      LYS  42  -6.814  14.122  -7.904
  324    HD2  LYS  42           HD2      LYS  42  -5.618  12.574  -9.517
  325    HD3  LYS  42           HD3      LYS  42  -5.862  13.806 -10.777
  326    HE2  LYS  42           HE2      LYS  42  -4.673  15.458  -9.342
  327    HE3  LYS  42           HE3      LYS  42  -4.459  14.221  -8.097
  328    HZ1  LYS  42           HZ1      LYS  42  -2.503  14.450  -9.468
  329    HZ2  LYS  42           HZ2      LYS  42  -3.149  12.952  -9.657
  330    HZ3  LYS  42           HZ3      LYS  42  -3.355  14.092 -10.824
  331    H    ILE  43           H        ILE  43  -5.997  10.528  -8.201
  332    HA   ILE  43           HA       ILE  43  -6.446  10.882  -5.318
  333    HB   ILE  43           HB       ILE  43  -4.295   9.398  -6.878
  334   HG12  ILE  43          HG12      ILE  43  -6.786   8.471  -5.380
  335   HG13  ILE  43          HG13      ILE  43  -6.549   8.433  -7.133
  336   HG21  ILE  43          HG21      ILE  43  -4.958   9.390  -3.906
  337   HG22  ILE  43          HG22      ILE  43  -3.690   8.423  -4.698
  338   HG23  ILE  43          HG23      ILE  43  -3.538  10.180  -4.628
  339   HD11  ILE  43          HD11      ILE  43  -4.650   6.848  -6.819
  340   HD12  ILE  43          HD12      ILE  43  -5.002   6.800  -5.072
  341   HD13  ILE  43          HD13      ILE  43  -6.205   6.215  -6.222
  342    H    VAL  44           H        VAL  44  -5.519  12.409  -4.117
  343    HA   VAL  44           HA       VAL  44  -3.212  13.912  -5.255
  344    HB   VAL  44           HB       VAL  44  -4.047  15.838  -3.882
  345   HG11  VAL  44          HG11      VAL  44  -5.954  14.804  -6.021
  346   HG12  VAL  44          HG12      VAL  44  -5.749  16.498  -5.516
  347   HG13  VAL  44          HG13      VAL  44  -4.423  15.653  -6.335
  348   HG21  VAL  44          HG21      VAL  44  -5.513  14.549  -2.348
  349   HG22  VAL  44          HG22      VAL  44  -6.400  15.848  -3.182
  350   HG23  VAL  44          HG23      VAL  44  -6.598  14.172  -3.715
  351    H    GLY  45           H        GLY  45  -3.963  11.590  -3.112
  352    HA2  GLY  45           HA2      GLY  45  -1.483  11.897  -1.656
  353    HA3  GLY  45           HA3      GLY  45  -2.892  12.202  -0.637
  354    H    CYS  46           H        CYS  46  -0.891   9.852  -0.773
  355    HA   CYS  46           HA       CYS  46  -2.936   7.784  -0.429
  356    HB2  CYS  46           HB2      CYS  46  -2.487   7.690  -2.850
  357    HB3  CYS  46           HB3      CYS  46  -0.744   7.534  -2.536
  358    HG   CYS  46           HG       CYS  46  -0.934   5.342  -1.114
  359    H    SER  47           H        SER  47  -2.220   6.125   0.938
  360    HA   SER  47           HA       SER  47   0.632   6.054   1.706
  361    HB2  SER  47           HB2      SER  47  -1.625   6.525   3.692
  362    HB3  SER  47           HB3      SER  47   0.065   6.169   4.108
  363    HG   SER  47           HG       SER  47  -0.455   8.420   4.099
  364    H    VAL  48           H        VAL  48   1.177   4.091   2.882
  365    HA   VAL  48           HA       VAL  48  -0.931   1.999   2.803
  366    HB   VAL  48           HB       VAL  48   1.868   1.593   1.724
  367   HG11  VAL  48          HG11      VAL  48   0.904  -0.507   0.842
  368   HG12  VAL  48          HG12      VAL  48   0.748  -0.446   2.604
  369   HG13  VAL  48          HG13      VAL  48  -0.663  -0.102   1.578
  370   HG21  VAL  48          HG21      VAL  48  -0.737   2.091   0.227
  371   HG22  VAL  48          HG22      VAL  48   0.737   3.085   0.182
  372   HG23  VAL  48          HG23      VAL  48   0.749   1.457  -0.515
  373    H    HIS  49           H        HIS  49  -0.579   0.277   4.277
  374    HA   HIS  49           HA       HIS  49   1.557   0.654   6.292
  375    HB2  HIS  49           HB2      HIS  49  -1.393   0.464   6.973
  376    HB3  HIS  49           HB3      HIS  49  -0.052   0.753   8.093
  377    HD2  HIS  49           HD3      HIS  49  -2.312   2.509   5.532
  378    HE1  HIS  49           HE1      HIS  49   0.110   5.557   7.237
  379    HE2  HIS  49           HE2      HIS  49  -1.888   5.084   5.734
  380    H    LYS  50           H        LYS  50   0.853  -1.266   8.107
  381    HA   LYS  50           HA       LYS  50   0.777  -3.739   6.502
  382    HB2  LYS  50           HB2      LYS  50   1.315  -3.068   9.403
  383    HB3  LYS  50           HB3      LYS  50   0.927  -4.725   8.923
  384    HG2  LYS  50           HG2      LYS  50   3.203  -3.119   7.697
  385    HG3  LYS  50           HG3      LYS  50   3.378  -4.247   9.048
  386    HD2  LYS  50           HD2      LYS  50   2.380  -6.059   7.596
  387    HD3  LYS  50           HD3      LYS  50   2.404  -4.923   6.233
  388    HE2  LYS  50           HE2      LYS  50   4.355  -6.361   6.143
  389    HE3  LYS  50           HE3      LYS  50   4.851  -4.689   6.466
  390    HZ1  LYS  50           HZ1      LYS  50   6.010  -6.233   7.880
  391    HZ2  LYS  50           HZ2      LYS  50   5.022  -5.297   8.804
  392    HZ3  LYS  50           HZ3      LYS  50   4.602  -6.852   8.446
  393    H    GLY  51           H        GLY  51  -0.943  -4.954   6.185
  394    HA2  GLY  51           HA2      GLY  51  -2.995  -5.924   6.454
  395    HA3  GLY  51           HA3      GLY  51  -3.139  -5.149   8.040
  396    H    PHE  52           H        PHE  52  -2.560  -2.483   6.265
  397    HA   PHE  52           HA       PHE  52  -5.132  -2.276   4.904
  398    HB2  PHE  52           HB2      PHE  52  -5.941  -0.392   6.236
  399    HB3  PHE  52           HB3      PHE  52  -5.819  -1.844   7.218
  400    HD1  PHE  52           HD2      PHE  52  -4.052  -2.069   8.934
  401    HD2  PHE  52           HD1      PHE  52  -4.577   1.538   6.664
  402    HE1  PHE  52           HE2      PHE  52  -2.649  -0.849  10.566
  403    HE2  PHE  52           HE1      PHE  52  -3.164   2.767   8.292
  404    HZ   PHE  52           HZ       PHE  52  -2.187   1.569  10.242
  405    H    ALA  53           H        ALA  53  -5.405  -0.015   4.003
  406    HA   ALA  53           HA       ALA  53  -2.948   1.585   3.763
  407    HB1  ALA  53           HB1      ALA  53  -3.028   1.538   1.300
  408    HB2  ALA  53           HB2      ALA  53  -2.780  -0.098   1.958
  409    HB3  ALA  53           HB3      ALA  53  -4.381   0.386   1.355
  410    H    PHE  54           H        PHE  54  -3.469   3.599   2.383
  411    HA   PHE  54           HA       PHE  54  -6.314   4.405   2.657
  412    HB2  PHE  54           HB2      PHE  54  -3.937   5.576   4.072
  413    HB3  PHE  54           HB3      PHE  54  -5.204   6.657   3.493
  414    HD1  PHE  54           HD1      PHE  54  -7.605   6.236   4.126
  415    HD2  PHE  54           HD2      PHE  54  -4.276   4.428   6.169
  416    HE1  PHE  54           HE1      PHE  54  -9.061   5.752   6.072
  417    HE2  PHE  54           HE2      PHE  54  -5.733   3.944   8.106
  418    HZ   PHE  54           HZ       PHE  54  -8.125   4.601   8.058
  419    H    VAL  55           H        VAL  55  -6.973   6.121   1.400
  420    HA   VAL  55           HA       VAL  55  -5.060   7.226  -0.585
  421    HB   VAL  55           HB       VAL  55  -7.774   6.010  -1.242
  422   HG11  VAL  55          HG11      VAL  55  -5.737   7.443  -2.979
  423   HG12  VAL  55          HG12      VAL  55  -7.153   6.564  -3.589
  424   HG13  VAL  55          HG13      VAL  55  -7.383   8.010  -2.590
  425   HG21  VAL  55          HG21      VAL  55  -6.431   4.495  -2.679
  426   HG22  VAL  55          HG22      VAL  55  -4.941   5.233  -2.051
  427   HG23  VAL  55          HG23      VAL  55  -6.003   4.307  -0.965
  428    H    GLN  56           H        GLN  56  -5.582   9.298  -1.262
  429    HA   GLN  56           HA       GLN  56  -7.865  10.634   0.117
  430    HB2  GLN  56           HB2      GLN  56  -5.802  11.231   1.245
  431    HB3  GLN  56           HB3      GLN  56  -5.006  11.562  -0.299
  432    HG2  GLN  56           HG2      GLN  56  -5.551  13.659   0.733
  433    HG3  GLN  56           HG3      GLN  56  -6.600  13.454  -0.680
  434   HE21  GLN  56          HE21      GLN  56  -8.839  13.114  -0.387
  435   HE22  GLN  56          HE22      GLN  56  -9.624  13.344   1.160
  436    H    TYR  57           H        TYR  57  -9.317  11.024  -1.429
  437    HA   TYR  57           HA       TYR  57  -8.445  11.731  -4.151
  438    HB2  TYR  57           HB2      TYR  57 -11.156  11.270  -2.877
  439    HB3  TYR  57           HB3      TYR  57 -10.930  11.815  -4.538
  440    HD1  TYR  57           HD2      TYR  57  -8.866  10.268  -5.711
  441    HD2  TYR  57           HD1      TYR  57 -11.767   9.054  -2.787
  442    HE1  TYR  57           HE2      TYR  57  -8.790   7.950  -6.612
  443    HE2  TYR  57           HE1      TYR  57 -11.708   6.724  -3.702
  444    HH   TYR  57           HH       TYR  57 -10.808   5.331  -5.232
  445    H    VAL  58           H        VAL  58 -10.117  13.538  -5.078
  446    HA   VAL  58           HA       VAL  58  -9.338  15.961  -3.635
  447    HB   VAL  58           HB       VAL  58 -10.774  15.497  -6.276
  448   HG11  VAL  58          HG11      VAL  58 -11.408  17.708  -5.407
  449   HG12  VAL  58          HG12      VAL  58  -9.703  18.077  -5.049
  450   HG13  VAL  58          HG13      VAL  58 -10.249  17.889  -6.731
  451   HG21  VAL  58          HG21      VAL  58  -8.622  16.208  -7.241
  452   HG22  VAL  58          HG22      VAL  58  -7.944  16.394  -5.608
  453   HG23  VAL  58          HG23      VAL  58  -8.397  14.779  -6.206
  454    H    ASN  59           H        ASN  59 -12.180  13.943  -4.000
  455    HA   ASN  59           HA       ASN  59 -13.710  15.723  -2.226
  456    HB2  ASN  59           HB2      ASN  59 -15.627  15.856  -3.784
  457    HB3  ASN  59           HB3      ASN  59 -14.181  16.656  -4.419
  458   HD21  ASN  59          HD21      ASN  59 -13.830  16.263  -6.533
  459   HD22  ASN  59          HD22      ASN  59 -14.270  14.782  -7.374
  460    H    GLU  60           H        GLU  60 -16.005  14.764  -1.944
  461    HA   GLU  60           HA       GLU  60 -15.694  12.146  -0.795
  462    HB2  GLU  60           HB2      GLU  60 -17.094  13.726   0.302
  463    HB3  GLU  60           HB3      GLU  60 -17.948  14.139  -1.189
  464    HG2  GLU  60           HG2      GLU  60 -19.061  11.988  -1.246
  465    HG3  GLU  60           HG3      GLU  60 -18.119  11.411   0.137
  466    H    ARG  61           H        ARG  61 -17.105  13.371  -3.789
  467    HA   ARG  61           HA       ARG  61 -18.694  11.113  -4.488
  468    HB2  ARG  61           HB2      ARG  61 -19.225  12.973  -5.693
  469    HB3  ARG  61           HB3      ARG  61 -17.584  13.594  -5.684
  470    HG2  ARG  61           HG2      ARG  61 -18.136  13.161  -7.939
  471    HG3  ARG  61           HG3      ARG  61 -16.927  11.988  -7.431
  472    HD2  ARG  61           HD2      ARG  61 -18.632  10.818  -8.707
  473    HD3  ARG  61           HD3      ARG  61 -18.808  10.343  -7.007
  474    HE   ARG  61           HE       ARG  61 -20.860  11.425  -6.886
  475   HH11  ARG  61          HH11      ARG  61 -19.278  12.232  -9.950
  476   HH12  ARG  61          HH12      ARG  61 -20.713  12.970 -10.623
  477   HH21  ARG  61          HH21      ARG  61 -22.709  12.382  -7.799
  478   HH22  ARG  61          HH22      ARG  61 -22.644  13.049  -9.414
  479    H    ASN  62           H        ASN  62 -15.262  11.910  -5.087
  480    HA   ASN  62           HA       ASN  62 -14.736   9.658  -6.801
  481    HB2  ASN  62           HB2      ASN  62 -13.088  11.584  -5.148
  482    HB3  ASN  62           HB3      ASN  62 -12.329  10.202  -5.968
  483   HD21  ASN  62          HD21      ASN  62 -14.980  12.430  -7.033
  484   HD22  ASN  62          HD22      ASN  62 -14.180  12.871  -8.531
  485    H    ALA  63           H        ALA  63 -14.701  10.129  -3.249
  486    HA   ALA  63           HA       ALA  63 -13.355   7.650  -2.686
  487    HB1  ALA  63           HB1      ALA  63 -13.468   9.468  -1.054
  488    HB2  ALA  63           HB2      ALA  63 -15.244   9.306  -0.977
  489    HB3  ALA  63           HB3      ALA  63 -14.207   7.974  -0.413
  490    H    ARG  64           H        ARG  64 -16.894   8.491  -2.836
  491    HA   ARG  64           HA       ARG  64 -17.702   5.840  -2.144
  492    HB2  ARG  64           HB2      ARG  64 -19.042   8.174  -3.557
  493    HB3  ARG  64           HB3      ARG  64 -19.811   6.583  -3.503
  494    HG2  ARG  64           HG2      ARG  64 -20.724   7.693  -1.673
  495    HG3  ARG  64           HG3      ARG  64 -19.497   6.609  -0.987
  496    HD2  ARG  64           HD2      ARG  64 -17.930   8.528  -0.833
  497    HD3  ARG  64           HD3      ARG  64 -19.181   9.594  -1.501
  498    HE   ARG  64           HE       ARG  64 -19.049   8.473   1.213
  499   HH11  ARG  64          HH11      ARG  64 -21.074  10.059  -1.217
  500   HH12  ARG  64          HH12      ARG  64 -22.261  10.591  -0.043
  501   HH21  ARG  64          HH21      ARG  64 -20.648   9.139   2.708
  502   HH22  ARG  64          HH22      ARG  64 -21.995  10.106   2.161
  503    H    ALA  65           H        ALA  65 -16.453   7.226  -5.125
  504    HA   ALA  65           HA       ALA  65 -17.615   5.336  -6.929
  505    HB1  ALA  65           HB1      ALA  65 -14.992   6.866  -7.148
  506    HB2  ALA  65           HB2      ALA  65 -15.899   6.140  -8.486
  507    HB3  ALA  65           HB3      ALA  65 -16.592   7.514  -7.592
  508    H    ALA  66           H        ALA  66 -14.525   5.376  -5.062
  509    HA   ALA  66           HA       ALA  66 -13.859   2.729  -6.185
  510    HB1  ALA  66           HB1      ALA  66 -11.735   3.043  -5.012
  511    HB2  ALA  66           HB2      ALA  66 -12.146   4.447  -6.025
  512    HB3  ALA  66           HB3      ALA  66 -12.368   4.530  -4.255
  513    H    VAL  67           H        VAL  67 -15.126   4.142  -3.197
  514    HA   VAL  67           HA       VAL  67 -14.698   1.814  -1.564
  515    HB   VAL  67           HB       VAL  67 -16.470   4.262  -1.370
  516   HG11  VAL  67          HG11      VAL  67 -16.401   1.877   0.514
  517   HG12  VAL  67          HG12      VAL  67 -17.089   3.475   0.911
  518   HG13  VAL  67          HG13      VAL  67 -17.811   2.500  -0.382
  519   HG21  VAL  67          HG21      VAL  67 -14.044   4.435  -0.898
  520   HG22  VAL  67          HG22      VAL  67 -15.017   4.677   0.570
  521   HG23  VAL  67          HG23      VAL  67 -14.193   3.133   0.308
  522    H    ALA  68           H        ALA  68 -17.002   2.613  -4.057
  523    HA   ALA  68           HA       ALA  68 -18.418   0.052  -3.460
  524    HB1  ALA  68           HB1      ALA  68 -19.307   2.414  -5.157
  525    HB2  ALA  68           HB2      ALA  68 -20.255   0.946  -4.820
  526    HB3  ALA  68           HB3      ALA  68 -19.848   2.064  -3.500
  527    H    GLY  69           H        GLY  69 -16.040   1.421  -5.522
  528    HA2  GLY  69           HA2      GLY  69 -16.782  -0.255  -7.836
  529    HA3  GLY  69           HA3      GLY  69 -15.532   0.993  -7.754
  530    H    GLU  70           H        GLU  70 -14.461  -0.281  -5.153
  531    HA   GLU  70           HA       GLU  70 -13.035  -2.588  -6.444
  532    HB2  GLU  70           HB2      GLU  70 -11.997  -0.377  -4.638
  533    HB3  GLU  70           HB3      GLU  70 -11.069  -1.819  -5.074
  534    HG2  GLU  70           HG2      GLU  70 -12.181   0.149  -7.114
  535    HG3  GLU  70           HG3      GLU  70 -10.557   0.251  -6.434
  536    H    ASP  71           H        ASP  71 -14.979  -1.559  -3.761
  537    HA   ASP  71           HA       ASP  71 -13.793  -3.094  -1.706
  538    HB2  ASP  71           HB2      ASP  71 -15.461  -1.452  -1.213
  539    HB3  ASP  71           HB3      ASP  71 -16.655  -2.261  -2.227
  540    H    GLY  72           H        GLY  72 -13.650  -5.209  -1.278
  541    HA2  GLY  72           HA2      GLY  72 -14.300  -7.424  -1.182
  542    HA3  GLY  72           HA3      GLY  72 -15.650  -7.089  -2.283
  543    H    ARG  73           H        ARG  73 -12.596  -5.875  -3.430
  544    HA   ARG  73           HA       ARG  73 -12.602  -8.002  -5.469
  545    HB2  ARG  73           HB2      ARG  73 -11.402  -6.622  -6.847
  546    HB3  ARG  73           HB3      ARG  73 -12.492  -5.505  -6.000
  547    HG2  ARG  73           HG2      ARG  73 -10.735  -4.633  -4.659
  548    HG3  ARG  73           HG3      ARG  73  -9.652  -5.985  -5.021
  549    HD2  ARG  73           HD2      ARG  73 -10.650  -4.095  -7.165
  550    HD3  ARG  73           HD3      ARG  73  -9.159  -3.823  -6.245
  551    HE   ARG  73           HE       ARG  73  -9.188  -6.486  -7.317
  552   HH11  ARG  73          HH11      ARG  73  -8.733  -3.121  -8.299
  553   HH12  ARG  73          HH12      ARG  73  -7.666  -3.530  -9.621
  554   HH21  ARG  73          HH21      ARG  73  -7.802  -6.991  -9.032
  555   HH22  ARG  73          HH22      ARG  73  -7.164  -5.721 -10.059
  556    H    MET  74           H        MET  74 -10.549  -9.009  -6.177
  557    HA   MET  74           HA       MET  74  -8.821  -9.557  -3.833
  558    HB2  MET  74           HB2      MET  74  -9.749 -11.515  -4.838
  559    HB3  MET  74           HB3      MET  74  -9.220 -11.029  -6.457
  560    HG2  MET  74           HG2      MET  74  -6.947 -11.373  -5.968
  561    HG3  MET  74           HG3      MET  74  -7.209 -11.303  -4.222
  562    HE1  MET  74           HE1      MET  74  -7.859 -13.035  -2.718
  563    HE2  MET  74           HE2      MET  74  -9.460 -13.166  -3.474
  564    HE3  MET  74           HE3      MET  74  -8.515 -14.639  -3.143
  565    H    ILE  75           H        ILE  75  -6.732  -9.091  -3.731
  566    HA   ILE  75           HA       ILE  75  -5.244  -8.225  -6.123
  567    HB   ILE  75           HB       ILE  75  -5.340  -6.636  -3.524
  568   HG12  ILE  75          HG12      ILE  75  -6.378  -5.867  -6.290
  569   HG13  ILE  75          HG13      ILE  75  -7.397  -6.350  -4.925
  570   HG21  ILE  75          HG21      ILE  75  -3.129  -6.638  -4.638
  571   HG22  ILE  75          HG22      ILE  75  -3.896  -6.073  -6.143
  572   HG23  ILE  75          HG23      ILE  75  -3.876  -5.038  -4.694
  573   HD11  ILE  75          HD11      ILE  75  -5.626  -3.891  -5.059
  574   HD12  ILE  75          HD12      ILE  75  -7.403  -3.957  -5.043
  575   HD13  ILE  75          HD13      ILE  75  -6.487  -4.436  -3.597
  576    H    ALA  76           H        ALA  76  -3.183  -9.022  -6.069
  577    HA   ALA  76           HA       ALA  76  -1.476 -10.347  -5.470
  578    HB1  ALA  76           HB1      ALA  76  -1.814  -9.030  -2.765
  579    HB2  ALA  76           HB2      ALA  76  -0.338  -9.785  -3.402
  580    HB3  ALA  76           HB3      ALA  76  -0.974  -8.308  -4.160
  581    H    GLY  77           H        GLY  77  -4.391 -11.357  -4.693
  582    HA2  GLY  77           HA2      GLY  77  -4.732 -13.701  -4.444
  583    HA3  GLY  77           HA3      GLY  77  -3.299 -13.807  -3.419
  584    H    GLN  78           H        GLN  78  -4.951 -11.060  -2.402
  585    HA   GLN  78           HA       GLN  78  -6.777 -12.582  -0.604
  586    HB2  GLN  78           HB2      GLN  78  -4.846 -10.370   0.198
  587    HB3  GLN  78           HB3      GLN  78  -6.210 -10.898   1.181
  588    HG2  GLN  78           HG2      GLN  78  -4.918 -12.455   2.087
  589    HG3  GLN  78           HG3      GLN  78  -4.893 -13.295   0.533
  590   HE21  GLN  78          HE21      GLN  78  -3.203 -12.399  -1.073
  591   HE22  GLN  78          HE22      GLN  78  -1.631 -12.002  -0.401
  592    H    VAL  79           H        VAL  79  -8.587 -11.367   0.175
  593    HA   VAL  79           HA       VAL  79  -9.376  -9.190  -1.683
  594    HB   VAL  79           HB       VAL  79 -10.996 -10.821   0.309
  595   HG11  VAL  79          HG11      VAL  79 -11.990  -8.588   0.054
  596   HG12  VAL  79          HG12      VAL  79 -11.881  -8.716  -1.719
  597   HG13  VAL  79          HG13      VAL  79 -12.966  -9.787  -0.808
  598   HG21  VAL  79          HG21      VAL  79 -10.876 -10.801  -2.738
  599   HG22  VAL  79          HG22      VAL  79 -10.261 -12.092  -1.681
  600   HG23  VAL  79          HG23      VAL  79 -12.005 -11.765  -1.754
  601    H    LEU  80           H        LEU  80 -10.083  -7.213  -0.969
  602    HA   LEU  80           HA       LEU  80  -9.251  -6.482   1.795
  603    HB2  LEU  80           HB2      LEU  80  -8.977  -4.137   0.574
  604    HB3  LEU  80           HB3      LEU  80  -7.665  -5.276   0.788
  605    HG   LEU  80           HG       LEU  80  -7.683  -4.252  -1.418
  606   HD11  LEU  80          HD11      LEU  80  -6.759  -6.561  -1.046
  607   HD12  LEU  80          HD12      LEU  80  -8.252  -7.211  -1.784
  608   HD13  LEU  80          HD13      LEU  80  -7.214  -6.150  -2.718
  609   HD21  LEU  80          HD21      LEU  80 -10.169  -4.049  -1.614
  610   HD22  LEU  80          HD22      LEU  80 -10.254  -5.781  -1.967
  611   HD23  LEU  80          HD23      LEU  80  -9.355  -4.698  -3.061
  612    H    ASP  81           H        ASP  81 -10.490  -5.160   2.968
  613    HA   ASP  81           HA       ASP  81 -13.277  -4.850   2.003
  614    HB2  ASP  81           HB2      ASP  81 -12.926  -6.134   4.069
  615    HB3  ASP  81           HB3      ASP  81 -12.014  -4.787   4.774
  616    H    ILE  82           H        ILE  82 -13.587  -2.950   1.019
  617    HA   ILE  82           HA       ILE  82 -12.005  -0.610   1.925
  618    HB   ILE  82           HB       ILE  82 -13.470  -1.193  -0.659
  619   HG12  ILE  82          HG12      ILE  82 -10.482  -0.942  -0.115
  620   HG13  ILE  82          HG13      ILE  82 -11.324  -2.499  -0.121
  621   HG21  ILE  82          HG21      ILE  82 -12.411   0.879  -1.483
  622   HG22  ILE  82          HG22      ILE  82 -13.444   1.218  -0.082
  623   HG23  ILE  82          HG23      ILE  82 -11.675   1.138   0.118
  624   HD11  ILE  82          HD11      ILE  82 -10.299  -2.067  -2.311
  625   HD12  ILE  82          HD12      ILE  82 -12.068  -2.158  -2.410
  626   HD13  ILE  82          HD13      ILE  82 -11.254  -0.576  -2.484
  627    H    ASN  83           H        ASN  83 -12.965   1.270   2.560
  628    HA   ASN  83           HA       ASN  83 -15.879   1.598   2.470
  629    HB2  ASN  83           HB2      ASN  83 -15.268   0.075   4.456
  630    HB3  ASN  83           HB3      ASN  83 -14.463   1.483   5.159
  631   HD21  ASN  83          HD21      ASN  83 -15.807   3.335   5.833
  632   HD22  ASN  83          HD22      ASN  83 -17.528   3.102   6.045
  633    H    LEU  84           H        LEU  84 -16.509   3.799   3.361
  634    HA   LEU  84           HA       LEU  84 -14.558   5.800   2.695
  635    HB2  LEU  84           HB2      LEU  84 -17.323   5.780   3.176
  636    HB3  LEU  84           HB3      LEU  84 -16.660   6.657   4.562
  637    HG   LEU  84           HG       LEU  84 -15.246   7.950   2.737
  638   HD11  LEU  84          HD11      LEU  84 -15.822   6.530   0.835
  639   HD12  LEU  84          HD12      LEU  84 -17.554   6.846   1.090
  640   HD13  LEU  84          HD13      LEU  84 -16.462   8.165   0.599
  641   HD21  LEU  84          HD21      LEU  84 -17.098   9.567   2.468
  642   HD22  LEU  84          HD22      LEU  84 -16.996   8.968   4.136
  643   HD23  LEU  84          HD23      LEU  84 -18.246   8.336   3.033
  644    H    ALA  85           H        ALA  85 -13.622   7.389   4.267
  645    HA   ALA  85           HA       ALA  85 -12.423   5.854   6.438
  646    HB1  ALA  85           HB1      ALA  85 -10.942   7.803   6.636
  647    HB2  ALA  85           HB2      ALA  85 -11.086   7.261   4.950
  648    HB3  ALA  85           HB3      ALA  85 -11.983   8.704   5.495
  649    H    ALA  86           H        ALA  86 -15.266   7.625   6.318
  650    HA   ALA  86           HA       ALA  86 -15.102   8.103   9.250
  651    HB1  ALA  86           HB1      ALA  86 -16.388  10.184   8.944
  652    HB2  ALA  86           HB2      ALA  86 -14.843  10.250   8.068
  653    HB3  ALA  86           HB3      ALA  86 -16.355   9.949   7.182
  654    H    GLU  87           H        GLU  87 -16.409   6.076   7.158
  655    HA   GLU  87           HA       GLU  87 -19.002   6.061   8.607
  656    HB2  GLU  87           HB2      GLU  87 -18.713   5.709   5.597
  657    HB3  GLU  87           HB3      GLU  87 -20.201   5.509   6.543
  658    HG2  GLU  87           HG2      GLU  87 -19.857   7.922   7.340
  659    HG3  GLU  87           HG3      GLU  87 -18.633   8.056   6.065
  660    HA   PRO  88           HA       PRO  88 -16.830   1.886   8.134
  661    HB2  PRO  88           HB2      PRO  88 -16.138   1.375  10.736
  662    HB3  PRO  88           HB3      PRO  88 -15.103   2.286   9.598
  663    HG2  PRO  88           HG2      PRO  88 -17.039   3.402  11.658
  664    HG3  PRO  88           HG3      PRO  88 -15.332   3.874  11.376
  665    HD2  PRO  88           HD2      PRO  88 -17.391   5.289  10.308
  666    HD3  PRO  88           HD3      PRO  88 -15.877   5.016   9.387
  667    H    LYS  89           H        LYS  89 -18.272   0.295   7.986
  668    HA   LYS  89           HA       LYS  89 -20.349  -0.023  10.113
  669    HB2  LYS  89           HB2      LYS  89 -20.372  -0.577   7.132
  670    HB3  LYS  89           HB3      LYS  89 -21.409  -1.492   8.227
  671    HG2  LYS  89           HG2      LYS  89 -22.712   0.294   7.368
  672    HG3  LYS  89           HG3      LYS  89 -22.407   0.605   9.081
  673    HD2  LYS  89           HD2      LYS  89 -20.690   2.262   8.510
  674    HD3  LYS  89           HD3      LYS  89 -20.842   1.854   6.783
  675    HE2  LYS  89           HE2      LYS  89 -22.065   3.903   7.257
  676    HE3  LYS  89           HE3      LYS  89 -23.203   2.616   6.834
  677    HZ1  LYS  89           HZ1      LYS  89 -22.560   3.498   9.574
  678    HZ2  LYS  89           HZ2      LYS  89 -23.933   3.858   8.750
  679    HZ3  LYS  89           HZ3      LYS  89 -23.623   2.305   9.182
  680    H    VAL  90           H        VAL  90 -17.380  -1.129   9.180
  681    HA   VAL  90           HA       VAL  90 -17.948  -3.991   9.608
  682    HB   VAL  90           HB       VAL  90 -16.509  -3.234   7.744
  683   HG11  VAL  90          HG11      VAL  90 -14.577  -2.422   9.959
  684   HG12  VAL  90          HG12      VAL  90 -14.210  -2.471   8.221
  685   HG13  VAL  90          HG13      VAL  90 -15.404  -1.315   8.837
  686   HG21  VAL  90          HG21      VAL  90 -16.298  -5.504   8.742
  687   HG22  VAL  90          HG22      VAL  90 -14.778  -4.900   8.051
  688   HG23  VAL  90          HG23      VAL  90 -15.006  -4.890   9.809
  689    H    ASN  91           H        ASN  91 -16.790  -5.239  11.166
  690    HA   ASN  91           HA       ASN  91 -16.731  -3.841  13.731
  691    HB2  ASN  91           HB2      ASN  91 -16.241  -6.788  13.226
  692    HB3  ASN  91           HB3      ASN  91 -16.863  -6.015  14.692
  693   HD21  ASN  91          HD21      ASN  91 -17.583  -7.037  11.393
  694   HD22  ASN  91          HD22      ASN  91 -19.329  -6.928  11.523
  695    H    ARG  92           H        ARG  92 -14.476  -4.162  11.406
  696    HA   ARG  92           HA       ARG  92 -12.245  -4.487  11.238
  697    HB2  ARG  92           HB2      ARG  92 -12.375  -3.014  13.896
  698    HB3  ARG  92           HB3      ARG  92 -10.887  -3.258  12.958
  699    HG2  ARG  92           HG2      ARG  92 -12.044  -2.202  10.976
  700    HG3  ARG  92           HG3      ARG  92 -13.390  -1.783  12.049
  701    HD2  ARG  92           HD2      ARG  92 -10.487  -0.883  12.354
  702    HD3  ARG  92           HD3      ARG  92 -11.810   0.118  11.767
  703    HE   ARG  92           HE       ARG  92 -12.849   0.004  13.967
  704   HH11  ARG  92          HH11      ARG  92  -9.459  -1.051  13.806
  705   HH12  ARG  92          HH12      ARG  92  -9.186  -0.769  15.506
  706   HH21  ARG  92          HH21      ARG  92 -12.441   0.329  16.175
  707   HH22  ARG  92          HH22      ARG  92 -10.859  -0.005  16.840
  708    H    GLY  93           H        GLY  93 -13.432  -6.784  11.911
  709    HA2  GLY  93           HA2      GLY  93 -12.376  -8.038  14.260
  710    HA3  GLY  93           HA3      GLY  93 -13.232  -8.821  12.917
  711    H    LYS  94           H        LYS  94 -10.548  -7.054  11.780
  712    HA   LYS  94           HA       LYS  94  -8.611  -7.649  10.818
  713    HB2  LYS  94           HB2      LYS  94  -8.335  -9.482  13.207
  714    HB3  LYS  94           HB3      LYS  94  -7.020  -8.867  12.179
  715    HG2  LYS  94           HG2      LYS  94  -7.683  -6.528  12.817
  716    HG3  LYS  94           HG3      LYS  94  -8.871  -7.205  13.946
  717    HD2  LYS  94           HD2      LYS  94  -5.869  -7.689  14.055
  718    HD3  LYS  94           HD3      LYS  94  -6.787  -6.583  15.097
  719    HE2  LYS  94           HE2      LYS  94  -8.132  -8.488  15.931
  720    HE3  LYS  94           HE3      LYS  94  -7.191  -9.600  14.923
  721    HZ1  LYS  94           HZ1      LYS  94  -6.092  -7.908  17.067
  722    HZ2  LYS  94           HZ2      LYS  94  -6.383  -9.523  17.178
  723    HZ3  LYS  94           HZ3      LYS  94  -5.235  -8.961  16.142
  724    H    ALA  95           H        ALA  95 -11.100  -9.551  10.447
  725    HA   ALA  95           HA       ALA  95  -9.644 -11.289   8.568
  726    HB1  ALA  95           HB1      ALA  95 -11.456 -12.384  10.766
  727    HB2  ALA  95           HB2      ALA  95 -10.761 -13.332   9.431
  728    HB3  ALA  95           HB3      ALA  95  -9.696 -12.607  10.656
  729    H    GLY  96           H        GLY  96 -12.632  -9.850   9.813
  730    HA2  GLY  96           HA2      GLY  96 -14.387  -9.017   8.577
  731    HA3  GLY  96           HA3      GLY  96 -13.715  -9.759   7.109
  732    H    VAL  97           H        VAL  97 -13.715 -12.179   9.360
  733    HA   VAL  97           HA       VAL  97 -16.472 -13.092   8.649
  734    HB   VAL  97           HB       VAL  97 -13.941 -14.744   8.954
  735   HG11  VAL  97          HG11      VAL  97 -16.715 -15.444   7.892
  736   HG12  VAL  97          HG12      VAL  97 -15.302 -16.523   7.865
  737   HG13  VAL  97          HG13      VAL  97 -15.992 -16.015   9.416
  738   HG21  VAL  97          HG21      VAL  97 -13.751 -13.318   6.977
  739   HG22  VAL  97          HG22      VAL  97 -14.047 -14.995   6.477
  740   HG23  VAL  97          HG23      VAL  97 -15.375 -13.811   6.431
  741    H    LYS  98           H        LYS  98 -13.996 -12.670  11.084
  742    HA   LYS  98           HA       LYS  98 -15.746 -13.986  13.104
  743    HB2  LYS  98           HB2      LYS  98 -12.710 -14.108  12.874
  744    HB3  LYS  98           HB3      LYS  98 -13.645 -14.748  14.230
  745    HG2  LYS  98           HG2      LYS  98 -13.888 -15.679  11.339
  746    HG3  LYS  98           HG3      LYS  98 -12.967 -16.497  12.606
  747    HD2  LYS  98           HD2      LYS  98 -15.053 -16.787  13.933
  748    HD3  LYS  98           HD3      LYS  98 -15.983 -16.023  12.621
  749    HE2  LYS  98           HE2      LYS  98 -15.206 -17.784  11.062
  750    HE3  LYS  98           HE3      LYS  98 -14.296 -18.545  12.376
  751    HZ1  LYS  98           HZ1      LYS  98 -17.214 -18.181  12.313
  752    HZ2  LYS  98           HZ2      LYS  98 -16.427 -19.596  12.054
  753    HZ3  LYS  98           HZ3      LYS  98 -16.363 -18.889  13.534
  754    H    ARG  99           H        ARG  99 -15.210 -13.283  15.345
  755    HA   ARG  99           HA       ARG  99 -15.044 -10.368  15.472
  756    HB2  ARG  99           HB2      ARG  99 -15.795 -12.616  17.295
  757    HB3  ARG  99           HB3      ARG  99 -15.150 -11.152  18.056
  758    HG2  ARG  99           HG2      ARG  99 -17.564 -10.996  17.921
  759    HG3  ARG  99           HG3      ARG  99 -16.819  -9.773  16.885
  760    HD2  ARG  99           HD2      ARG  99 -17.201 -11.224  14.904
  761    HD3  ARG  99           HD3      ARG  99 -17.909 -12.466  15.952
  762    HE   ARG  99           HE       ARG  99 -19.770 -10.993  16.422
  763   HH11  ARG  99          HH11      ARG  99 -17.658  -9.899  13.797
  764   HH12  ARG  99          HH12      ARG  99 -18.876  -8.850  13.109
  765   HH21  ARG  99          HH21      ARG  99 -21.318  -9.616  15.506
  766   HH22  ARG  99          HH22      ARG  99 -20.933  -8.679  14.081
  767    H    SER 100           H        SER 100 -13.770  -9.473  17.411
  768    HA   SER 100           HA       SER 100 -11.029  -9.778  16.561
  769    HB2  SER 100           HB2      SER 100 -12.343  -7.950  18.618
  770    HB3  SER 100           HB3      SER 100 -10.702  -7.731  17.963
  771    HG   SER 100           HG       SER 100 -12.329  -6.469  16.890
  772    H    ALA 101           H        ALA 101 -12.111 -11.969  18.141
  773    HA   ALA 101           HA       ALA 101 -11.605 -13.350  19.807
  774    HB1  ALA 101           HB1      ALA 101  -8.825 -12.184  19.435
  775    HB2  ALA 101           HB2      ALA 101  -9.214 -13.754  20.170
  776    HB3  ALA 101           HB3      ALA 101  -9.574 -13.463  18.451
  777    H    ALA 102           H        ALA 102 -11.911 -10.235  20.583
  778    HA   ALA 102           HA       ALA 102 -11.642 -10.795  23.488
  779    HB1  ALA 102           HB1      ALA 102 -10.722  -8.303  22.012
  780    HB2  ALA 102           HB2      ALA 102 -10.729  -8.502  23.780
  781    HB3  ALA 102           HB3      ALA 102  -9.654  -9.507  22.776
  782    H    GLU 103           H        GLU 103 -13.470  -9.860  20.833
  783    HA   GLU 103           HA       GLU 103 -15.534  -8.575  22.549
  784    HB2  GLU 103           HB2      GLU 103 -14.889  -8.002  19.626
  785    HB3  GLU 103           HB3      GLU 103 -16.226  -7.294  20.556
  786    HG2  GLU 103           HG2      GLU 103 -14.581  -6.316  22.145
  787    HG3  GLU 103           HG3      GLU 103 -13.263  -6.959  21.149
  788    H    MET 104           H        MET 104 -14.874 -11.440  21.702
  789    HA   MET 104           HA       MET 104 -16.807 -12.163  19.709
  790    HB2  MET 104           HB2      MET 104 -15.449 -13.975  21.739
  791    HB3  MET 104           HB3      MET 104 -16.220 -14.440  20.205
  792    HG2  MET 104           HG2      MET 104 -14.506 -12.807  19.124
  793    HG3  MET 104           HG3      MET 104 -13.657 -12.925  20.668
  794    HE1  MET 104           HE1      MET 104 -14.590 -14.463  17.326
  795    HE2  MET 104           HE2      MET 104 -14.257 -16.207  17.482
  796    HE3  MET 104           HE3      MET 104 -15.642 -15.485  18.335
  797    H    TYR 105           H        TYR 105 -18.343 -14.126  20.347
  798    HA   TYR 105           HA       TYR 105 -20.456 -12.966  21.867
  799    HB2  TYR 105           HB2      TYR 105 -20.098 -15.841  20.963
  800    HB3  TYR 105           HB3      TYR 105 -21.625 -15.023  21.320
  801    HD1  TYR 105           HD1      TYR 105 -22.568 -13.377  19.755
  802    HD2  TYR 105           HD2      TYR 105 -18.914 -15.465  18.883
  803    HE1  TYR 105           HE1      TYR 105 -22.739 -12.673  17.375
  804    HE2  TYR 105           HE2      TYR 105 -19.051 -14.748  16.519
  805    HH   TYR 105           HH       TYR 105 -21.797 -12.778  15.290
  806    H    GLY 106           H        GLY 106 -17.710 -14.769  22.882
  807    HA2  GLY 106           HA2      GLY 106 -18.310 -14.657  25.623
  808    HA3  GLY 106           HA3      GLY 106 -18.795 -16.268  25.057
  809    H5'    A   1           H5'        A   1   2.275 -12.990   8.311
  810   H5''    A   1          H5''        A   1   3.763 -12.649   7.409
  811    H4'    A   1           H4'        A   1   3.280 -11.857  10.326
  812    H3'    A   1           H3'        A   1   1.920 -10.645   8.347
  813    H2'    A   1           H2'        A   1   3.626 -10.482   6.747
  814   HO2'    A   1          HO2'        A   1   2.933  -8.310   7.218
  815    H1'    A   1           H1'        A   1   5.748  -9.529   8.563
  816    H8     A   1           H8         A   1   5.851  -9.581   5.523
  817    H61    A   1           H61        A   1   9.137 -14.738   4.490
  818    H62    A   1           H62        A   1   8.572 -13.231   3.787
  819    H2     A   1           H2         A   1   7.637 -14.967   8.581
  820    H5'    U   2           H5'        U   2   1.030  -7.110   9.204
  821   H5''    U   2          H5''        U   2   0.173  -6.975  10.750
  822    H4'    U   2           H4'        U   2  -1.341  -6.114   9.179
  823    H3'    U   2           H3'        U   2  -2.093  -8.357  10.620
  824    H2'    U   2           H2'        U   2  -1.546  -9.890   8.877
  825   HO2'    U   2          HO2'        U   2  -4.254  -9.087   8.505
  826    H1'    U   2           H1'        U   2  -2.805  -8.028   6.862
  827    H3     U   2           H3         U   2  -2.049 -11.290   3.783
  828    H5     U   2           H5         U   2   1.436 -11.340   6.136
  829    H6     U   2           H6         U   2   0.502  -9.546   7.456
  830    H5'    U   3           H5'        U   3  -6.590  -5.880  10.030
  831   H5''    U   3          H5''        U   3  -5.754  -5.833   8.458
  832    H4'    U   3           H4'        U   3  -5.799  -3.277   8.686
  833    H3'    U   3           H3'        U   3  -6.662  -3.783  11.251
  834    H2'    U   3           H2'        U   3  -8.679  -4.844  10.596
  835   HO2'    U   3          HO2'        U   3  -9.043  -2.588  11.696
  836    H1'    U   3           H1'        U   3  -9.061  -2.707   8.485
  837    H3     U   3           H3         U   3 -12.874  -4.558   6.928
  838    H5     U   3           H5         U   3 -10.857  -7.840   8.614
  839    H6     U   3           H6         U   3  -9.020  -6.354   9.154
  840    H5'    U   4           H5'        U   4  -6.090   0.752   9.728
  841   H5''    U   4          H5''        U   4  -5.294   1.038  11.284
  842    H4'    U   4           H4'        U   4  -5.758   3.168  10.264
  843    H3'    U   4           H3'        U   4  -6.833   2.448  12.849
  844    H2'    U   4           H2'        U   4  -9.048   2.689  12.153
  845   HO2'    U   4          HO2'        U   4  -8.679   4.461  13.623
  846    H1'    U   4           H1'        U   4  -8.045   4.802  10.224
  847    H3     U   4           H3         U   4 -12.111   5.883   8.673
  848    H5     U   4           H5         U   4 -12.563   1.819   9.623
  849    H6     U   4           H6         U   4 -10.251   1.811  10.414
  850    H5'    U   5           H5'        U   5  -3.770   3.259  10.618
  851   H5''    U   5          H5''        U   5  -2.373   3.400  11.693
  852    H4'    U   5           H4'        U   5  -1.568   3.994   9.560
  853    H3'    U   5           H3'        U   5  -1.412   5.840  11.594
  854    H2'    U   5           H2'        U   5  -3.293   7.118  10.990
  855   HO2'    U   5          HO2'        U   5  -1.148   8.339  10.542
  856    H1'    U   5           H1'        U   5  -2.615   6.860   8.069
  857    H3     U   5           H3         U   5  -6.430   8.837   6.801
  858    H5     U   5           H5         U   5  -7.518   7.006  10.428
  859    H6     U   5           H6         U   5  -5.247   6.137  10.588
  860    H5'    U   6           H5'        U   6   1.756   5.084   8.472
  861   H5''    U   6          H5''        U   6   3.260   5.416   9.335
  862    H4'    U   6           H4'        U   6   3.508   5.244   6.849
  863    H3'    U   6           H3'        U   6   4.848   6.977   8.517
  864    H2'    U   6           H2'        U   6   3.339   8.796   8.223
  865   HO2'    U   6          HO2'        U   6   4.356  10.190   6.609
  866    H1'    U   6           H1'        U   6   3.164   8.268   5.255
  867    H3     U   6           H3         U   6   1.008  12.315   5.735
  868    H5     U   6           H5         U   6  -1.469   9.446   7.554
  869    H6     U   6           H6         U   6   0.344   7.862   7.393
  870    H5'    C   7           H5'        C   7   6.765   2.882   7.430
  871   H5''    C   7          H5''        C   7   6.955   2.927   5.664
  872    H4'    C   7           H4'        C   7   4.346   2.095   7.004
  873    H3'    C   7           H3'        C   7   6.733   0.385   6.201
  874    H2'    C   7           H2'        C   7   5.145  -1.358   5.828
  875   HO2'    C   7          HO2'        C   7   4.000  -0.912   7.855
  876    H1'    C   7           H1'        C   7   3.118   0.472   5.013
  877    H41    C   7           H41        C   7   6.340  -1.944  -0.248
  878    H42    C   7           H42        C   7   4.730  -2.643  -0.319
  879    H5     C   7           H5         C   7   3.065  -2.303   1.428
  880    H6     C   7           H6         C   7   2.623  -1.189   3.531
  Start of MODEL   13
    1    H1   ALA   2           H        ALA   2   1.425  13.661  -6.296
    2    H2   ALA   2           H2       ALA   2   1.629  12.059  -5.937
    3    HA   ALA   2           HA       ALA   2  -0.668  13.713  -5.177
    4    HB1  ALA   2           HB1      ALA   2  -1.391  11.736  -3.866
    5    HB2  ALA   2           HB2      ALA   2  -1.367  11.431  -5.607
    6    HB3  ALA   2           HB3      ALA   2  -0.061  10.793  -4.576
    7    H    SER   3           H        SER   3  -0.869  13.863  -2.725
    8    HA   SER   3           HA       SER   3   1.693  14.969  -1.912
    9    HB2  SER   3           HB2      SER   3  -1.071  15.223  -0.691
   10    HB3  SER   3           HB3      SER   3   0.370  16.148  -0.209
   11    HG   SER   3           HG       SER   3  -0.935  17.261  -1.735
   12    H    ASN   4           H        ASN   4   0.705  11.909  -1.486
   13    HA   ASN   4           HA       ASN   4   1.231  10.283   0.014
   14    HB2  ASN   4           HB2      ASN   4   3.464  11.222  -0.643
   15    HB3  ASN   4           HB3      ASN   4   3.442  12.187   0.835
   16   HD21  ASN   4          HD21      ASN   4   5.476  11.025   1.279
   17   HD22  ASN   4          HD22      ASN   4   5.394   9.437   2.019
   18    H    VAL   5           H        VAL   5  -0.829  12.130   0.932
   19    HA   VAL   5           HA       VAL   5  -0.583  11.628   3.818
   20    HB   VAL   5           HB       VAL   5   0.396  13.884   3.317
   21   HG11  VAL   5          HG11      VAL   5  -2.461  14.633   2.589
   22   HG12  VAL   5          HG12      VAL   5  -1.054  15.717   2.679
   23   HG13  VAL   5          HG13      VAL   5  -1.123  14.453   1.429
   24   HG21  VAL   5          HG21      VAL   5  -0.433  13.427   5.517
   25   HG22  VAL   5          HG22      VAL   5  -0.879  15.080   5.069
   26   HG23  VAL   5          HG23      VAL   5  -2.106  13.785   5.018
   27    H    THR   6           H        THR   6  -2.491  11.198   4.801
   28    HA   THR   6           HA       THR   6  -5.051  11.519   3.352
   29    HB   THR   6           HB       THR   6  -5.504   9.124   3.367
   30    HG1  THR   6           HG1      THR   6  -4.136   8.530   5.092
   31   HG21  THR   6          HG21      THR   6  -2.783   9.526   2.074
   32   HG22  THR   6          HG22      THR   6  -4.044   8.358   1.622
   33   HG23  THR   6          HG23      THR   6  -4.311  10.089   1.352
   34    H    ASN   7           H        ASN   7  -3.540  12.049   6.165
   35    HA   ASN   7           HA       ASN   7  -5.680  10.803   7.795
   36    HB2  ASN   7           HB2      ASN   7  -4.216  10.526   9.587
   37    HB3  ASN   7           HB3      ASN   7  -3.348   9.990   8.161
   38   HD21  ASN   7          HD21      ASN   7  -1.628  10.301   9.945
   39   HD22  ASN   7          HD22      ASN   7  -0.823  11.858   9.977
   40    H    LYS   8           H        LYS   8  -5.477  13.662   6.473
   41    HA   LYS   8           HA       LYS   8  -5.616  15.538   8.642
   42    HB2  LYS   8           HB2      LYS   8  -6.637  15.452   5.798
   43    HB3  LYS   8           HB3      LYS   8  -7.183  16.730   6.891
   44    HG2  LYS   8           HG2      LYS   8  -5.321  17.474   5.532
   45    HG3  LYS   8           HG3      LYS   8  -4.910  17.507   7.244
   46    HD2  LYS   8           HD2      LYS   8  -4.173  15.124   5.521
   47    HD3  LYS   8           HD3      LYS   8  -3.198  16.596   5.472
   48    HE2  LYS   8           HE2      LYS   8  -3.803  15.045   8.022
   49    HE3  LYS   8           HE3      LYS   8  -2.324  14.897   7.073
   50    HZ1  LYS   8           HZ1      LYS   8  -2.049  16.419   8.883
   51    HZ2  LYS   8           HZ2      LYS   8  -1.883  17.215   7.460
   52    HZ3  LYS   8           HZ3      LYS   8  -3.261  17.381   8.341
   53    H    THR   9           H        THR   9  -7.807  16.748   9.115
   54    HA   THR   9           HA       THR   9  -9.958  14.725   9.451
   55    HB   THR   9           HB       THR   9 -10.314  15.466  11.775
   56    HG1  THR   9           HG1      THR   9  -9.267  17.451  11.699
   57   HG21  THR   9          HG21      THR   9  -7.510  14.403  11.255
   58   HG22  THR   9          HG22      THR   9  -8.461  14.222  12.746
   59   HG23  THR   9          HG23      THR   9  -9.002  13.431  11.257
   60    H    ASP  10           H        ASP  10  -9.634  16.999   7.580
   61    HA   ASP  10           HA       ASP  10 -11.361  19.118   8.462
   62    HB2  ASP  10           HB2      ASP  10 -10.513  18.157   5.703
   63    HB3  ASP  10           HB3      ASP  10 -11.413  19.645   6.001
   64    HA   PRO  11           HA       PRO  11 -15.303  17.379   8.138
   65    HB2  PRO  11           HB2      PRO  11 -16.860  19.419   7.137
   66    HB3  PRO  11           HB3      PRO  11 -16.128  19.440   8.777
   67    HG2  PRO  11           HG2      PRO  11 -15.045  20.698   6.236
   68    HG3  PRO  11           HG3      PRO  11 -15.256  21.465   7.849
   69    HD2  PRO  11           HD2      PRO  11 -12.866  20.471   7.085
   70    HD3  PRO  11           HD3      PRO  11 -13.442  20.219   8.764
   71    H    ARG  12           H        ARG  12 -13.661  18.196   5.244
   72    HA   ARG  12           HA       ARG  12 -15.676  16.627   3.684
   73    HB2  ARG  12           HB2      ARG  12 -15.113  17.876   1.729
   74    HB3  ARG  12           HB3      ARG  12 -15.487  19.015   3.030
   75    HG2  ARG  12           HG2      ARG  12 -13.589  19.989   2.168
   76    HG3  ARG  12           HG3      ARG  12 -12.859  18.971   3.421
   77    HD2  ARG  12           HD2      ARG  12 -12.522  17.194   1.604
   78    HD3  ARG  12           HD3      ARG  12 -13.065  18.397   0.430
   79    HE   ARG  12           HE       ARG  12 -10.523  18.327   1.927
   80   HH11  ARG  12          HH11      ARG  12 -12.662  20.212  -0.168
   81   HH12  ARG  12          HH12      ARG  12 -11.392  21.301  -0.677
   82   HH21  ARG  12          HH21      ARG  12  -8.897  19.752   1.250
   83   HH22  ARG  12          HH22      ARG  12  -9.271  21.049   0.134
   84    H    SER  13           H        SER  13 -12.288  16.963   4.642
   85    HA   SER  13           HA       SER  13 -11.356  15.097   2.629
   86    HB2  SER  13           HB2      SER  13 -10.037  16.061   5.188
   87    HB3  SER  13           HB3      SER  13  -9.235  15.205   3.853
   88    HG   SER  13           HG       SER  13  -9.015  17.479   3.707
   89    H    MET  14           H        MET  14 -12.767  14.854   5.821
   90    HA   MET  14           HA       MET  14 -11.932  12.166   6.439
   91    HB2  MET  14           HB2      MET  14 -14.125  14.047   7.336
   92    HB3  MET  14           HB3      MET  14 -14.129  12.367   7.894
   93    HG2  MET  14           HG2      MET  14 -11.504  13.724   8.102
   94    HG3  MET  14           HG3      MET  14 -12.775  14.427   9.098
   95    HE1  MET  14           HE1      MET  14 -11.715   9.913   9.446
   96    HE2  MET  14           HE2      MET  14 -12.839  10.556   8.231
   97    HE3  MET  14           HE3      MET  14 -11.100  10.947   8.144
   98    H    ASN  15           H        ASN  15 -14.134  13.470   4.115
   99    HA   ASN  15           HA       ASN  15 -15.237  10.750   3.702
  100    HB2  ASN  15           HB2      ASN  15 -17.305  11.967   2.797
  101    HB3  ASN  15           HB3      ASN  15 -17.077  11.889   4.551
  102   HD21  ASN  15          HD21      ASN  15 -16.482  13.754   5.717
  103   HD22  ASN  15          HD22      ASN  15 -16.691  15.355   5.038
  104    H    SER  16           H        SER  16 -13.018  12.722   2.498
  105    HA   SER  16           HA       SER  16 -13.727  12.078  -0.324
  106    HB2  SER  16           HB2      SER  16 -11.791  14.169   0.744
  107    HB3  SER  16           HB3      SER  16 -12.095  13.798  -0.966
  108    HG   SER  16           HG       SER  16 -13.934  14.799   0.940
  109    H    ARG  17           H        ARG  17 -12.233  10.626   2.120
  110    HA   ARG  17           HA       ARG  17 -10.023   9.618   0.375
  111    HB2  ARG  17           HB2      ARG  17  -8.680   9.222   2.287
  112    HB3  ARG  17           HB3      ARG  17  -9.288  10.884   2.397
  113    HG2  ARG  17           HG2      ARG  17 -11.024  10.118   3.992
  114    HG3  ARG  17           HG3      ARG  17 -10.415   8.439   3.814
  115    HD2  ARG  17           HD2      ARG  17  -9.520   9.507   5.838
  116    HD3  ARG  17           HD3      ARG  17  -8.229   9.128   4.677
  117    HE   ARG  17           HE       ARG  17  -8.521  11.580   3.929
  118   HH11  ARG  17          HH11      ARG  17  -8.971  10.476   7.264
  119   HH12  ARG  17          HH12      ARG  17  -8.632  12.065   7.925
  120   HH21  ARG  17          HH21      ARG  17  -8.072  13.564   4.807
  121   HH22  ARG  17          HH22      ARG  17  -8.130  13.805   6.550
  122    H    VAL  18           H        VAL  18  -9.335   7.354   1.153
  123    HA   VAL  18           HA       VAL  18 -11.780   5.653   1.413
  124    HB   VAL  18           HB       VAL  18  -9.337   5.173  -0.342
  125   HG11  VAL  18          HG11      VAL  18 -10.455   3.119   0.389
  126   HG12  VAL  18          HG12      VAL  18 -12.023   3.766  -0.156
  127   HG13  VAL  18          HG13      VAL  18 -10.740   3.402  -1.336
  128   HG21  VAL  18          HG21      VAL  18 -10.826   5.597  -2.258
  129   HG22  VAL  18          HG22      VAL  18 -12.117   6.126  -1.149
  130   HG23  VAL  18          HG23      VAL  18 -10.601   7.055  -1.282
  131    H    PHE  19           H        PHE  19 -11.641   4.171   3.014
  132    HA   PHE  19           HA       PHE  19  -8.995   3.522   4.189
  133    HB2  PHE  19           HB2      PHE  19 -10.797   4.016   5.741
  134    HB3  PHE  19           HB3      PHE  19 -11.844   2.842   4.947
  135    HD1  PHE  19           HD2      PHE  19  -8.231   2.473   5.948
  136    HD2  PHE  19           HD1      PHE  19 -12.308   1.253   6.582
  137    HE1  PHE  19           HE2      PHE  19  -7.462   0.681   7.467
  138    HE2  PHE  19           HE1      PHE  19 -11.533  -0.540   8.100
  139    HZ   PHE  19           HZ       PHE  19  -9.113  -0.835   8.548
  140    H    ILE  20           H        ILE  20  -8.020   1.512   3.837
  141    HA   ILE  20           HA       ILE  20  -9.522  -0.472   2.190
  142    HB   ILE  20           HB       ILE  20  -6.627   0.375   1.796
  143   HG12  ILE  20          HG12      ILE  20  -8.980   0.895  -0.066
  144   HG13  ILE  20          HG13      ILE  20  -8.342   2.096   1.069
  145   HG21  ILE  20          HG21      ILE  20  -6.729  -1.098  -0.173
  146   HG22  ILE  20          HG22      ILE  20  -7.135  -2.013   1.288
  147   HG23  ILE  20          HG23      ILE  20  -8.422  -1.498   0.186
  148   HD11  ILE  20          HD11      ILE  20  -6.727   0.766  -1.140
  149   HD12  ILE  20          HD12      ILE  20  -7.369   2.422  -1.157
  150   HD13  ILE  20          HD13      ILE  20  -6.124   1.972   0.025
  151    H    GLY  21           H        GLY  21  -9.890  -1.738   4.013
  152    HA2  GLY  21           HA2      GLY  21  -7.598  -2.532   5.707
  153    HA3  GLY  21           HA3      GLY  21  -9.304  -2.862   6.004
  154    H    ASN  22           H        ASN  22  -7.468  -4.820   6.398
  155    HA   ASN  22           HA       ASN  22  -7.021  -6.954   6.020
  156    HB2  ASN  22           HB2      ASN  22  -9.571  -6.877   5.967
  157    HB3  ASN  22           HB3      ASN  22  -9.447  -7.066   4.214
  158   HD21  ASN  22          HD21      ASN  22  -8.825  -9.100   3.352
  159   HD22  ASN  22          HD22      ASN  22  -8.687 -10.531   4.351
  160    H    LEU  23           H        LEU  23  -6.037  -4.862   4.011
  161    HA   LEU  23           HA       LEU  23  -5.866  -6.171   1.456
  162    HB2  LEU  23           HB2      LEU  23  -5.761  -3.751   1.716
  163    HB3  LEU  23           HB3      LEU  23  -4.330  -3.889   2.746
  164    HG   LEU  23           HG       LEU  23  -3.016  -4.748   0.846
  165   HD11  LEU  23          HD11      LEU  23  -3.925  -4.672  -1.432
  166   HD12  LEU  23          HD12      LEU  23  -4.824  -5.841  -0.451
  167   HD13  LEU  23          HD13      LEU  23  -5.537  -4.250  -0.800
  168   HD21  LEU  23          HD21      LEU  23  -3.017  -2.642  -0.470
  169   HD22  LEU  23          HD22      LEU  23  -3.109  -2.334   1.279
  170   HD23  LEU  23          HD23      LEU  23  -4.571  -2.195   0.272
  171    H    ASN  24           H        ASN  24  -4.139  -7.283   0.504
  172    HA   ASN  24           HA       ASN  24  -2.254  -8.615   2.297
  173    HB2  ASN  24           HB2      ASN  24  -3.182  -9.842   0.425
  174    HB3  ASN  24           HB3      ASN  24  -2.642  -8.597  -0.715
  175   HD21  ASN  24          HD21      ASN  24  -0.478  -8.471  -1.327
  176   HD22  ASN  24          HD22      ASN  24   0.677  -9.744  -0.957
  177    H    THR  25           H        THR  25  -0.574  -7.449   3.084
  178    HA   THR  25           HA       THR  25   0.446  -5.224   1.420
  179    HB   THR  25           HB       THR  25   1.170  -4.217   3.536
  180    HG1  THR  25           HG1      THR  25   1.450  -6.148   4.727
  181   HG21  THR  25          HG21      THR  25  -1.144  -3.886   2.572
  182   HG22  THR  25          HG22      THR  25  -1.719  -5.199   3.630
  183   HG23  THR  25          HG23      THR  25  -1.095  -3.709   4.338
  184    H    LEU  26           H        LEU  26   1.289  -8.281   1.607
  185    HA   LEU  26           HA       LEU  26   4.166  -7.802   2.128
  186    HB2  LEU  26           HB2      LEU  26   2.859 -10.402   1.273
  187    HB3  LEU  26           HB3      LEU  26   4.450 -10.153   1.987
  188    HG   LEU  26           HG       LEU  26   1.731 -10.034   3.301
  189   HD11  LEU  26          HD11      LEU  26   2.922 -11.653   4.828
  190   HD12  LEU  26          HD12      LEU  26   2.864 -12.198   3.132
  191   HD13  LEU  26          HD13      LEU  26   4.356 -11.499   3.808
  192   HD21  LEU  26          HD21      LEU  26   2.976  -8.039   4.138
  193   HD22  LEU  26          HD22      LEU  26   4.349  -9.092   4.553
  194   HD23  LEU  26          HD23      LEU  26   2.776  -9.287   5.376
  195    H    VAL  27           H        VAL  27   1.974  -7.685  -0.476
  196    HA   VAL  27           HA       VAL  27   4.216  -7.951  -2.433
  197    HB   VAL  27           HB       VAL  27   1.381  -8.963  -2.853
  198   HG11  VAL  27          HG11      VAL  27   2.391 -10.075  -4.833
  199   HG12  VAL  27          HG12      VAL  27   2.505  -8.312  -4.938
  200   HG13  VAL  27          HG13      VAL  27   3.937  -9.268  -4.488
  201   HG21  VAL  27          HG21      VAL  27   2.512 -10.388  -1.189
  202   HG22  VAL  27          HG22      VAL  27   2.386 -11.236  -2.733
  203   HG23  VAL  27          HG23      VAL  27   3.936 -10.516  -2.250
  204    H    VAL  28           H        VAL  28   1.335  -6.269  -1.313
  205    HA   VAL  28           HA       VAL  28   1.309  -4.533  -3.668
  206    HB   VAL  28           HB       VAL  28  -0.630  -5.264  -1.975
  207   HG11  VAL  28          HG11      VAL  28   0.582  -4.041  -0.080
  208   HG12  VAL  28          HG12      VAL  28   0.183  -2.529  -0.926
  209   HG13  VAL  28          HG13      VAL  28  -1.122  -3.585  -0.327
  210   HG21  VAL  28          HG21      VAL  28  -0.952  -3.992  -4.064
  211   HG22  VAL  28          HG22      VAL  28  -1.949  -3.358  -2.743
  212   HG23  VAL  28          HG23      VAL  28  -0.475  -2.493  -3.224
  213    H    LYS  29           H        LYS  29   1.790  -2.247  -3.520
  214    HA   LYS  29           HA       LYS  29   3.448  -1.365  -1.238
  215    HB2  LYS  29           HB2      LYS  29   4.935  -0.272  -3.151
  216    HB3  LYS  29           HB3      LYS  29   5.294  -1.868  -2.502
  217    HG2  LYS  29           HG2      LYS  29   3.434  -1.765  -4.853
  218    HG3  LYS  29           HG3      LYS  29   5.132  -1.358  -5.140
  219    HD2  LYS  29           HD2      LYS  29   5.920  -3.443  -4.316
  220    HD3  LYS  29           HD3      LYS  29   4.349  -3.869  -3.610
  221    HE2  LYS  29           HE2      LYS  29   3.333  -4.087  -5.774
  222    HE3  LYS  29           HE3      LYS  29   4.786  -3.454  -6.588
  223    HZ1  LYS  29           HZ1      LYS  29   4.593  -5.965  -5.070
  224    HZ2  LYS  29           HZ2      LYS  29   4.678  -5.842  -6.704
  225    HZ3  LYS  29           HZ3      LYS  29   5.966  -5.400  -5.786
  226    H    LYS  30           H        LYS  30   3.974   1.092  -1.630
  227    HA   LYS  30           HA       LYS  30   1.488   2.456  -1.744
  228    HB2  LYS  30           HB2      LYS  30   3.451   3.388  -0.610
  229    HB3  LYS  30           HB3      LYS  30   4.314   3.527  -2.156
  230    HG2  LYS  30           HG2      LYS  30   2.720   5.127  -2.998
  231    HG3  LYS  30           HG3      LYS  30   1.626   4.849  -1.625
  232    HD2  LYS  30           HD2      LYS  30   3.266   5.813  -0.084
  233    HD3  LYS  30           HD3      LYS  30   4.421   6.042  -1.417
  234    HE2  LYS  30           HE2      LYS  30   1.623   7.239  -1.359
  235    HE3  LYS  30           HE3      LYS  30   3.074   8.101  -0.798
  236    HZ1  LYS  30           HZ1      LYS  30   2.572   8.655  -3.063
  237    HZ2  LYS  30           HZ2      LYS  30   3.985   7.821  -3.022
  238    HZ3  LYS  30           HZ3      LYS  30   2.607   7.083  -3.526
  239    H    SER  31           H        SER  31   3.859   1.706  -4.264
  240    HA   SER  31           HA       SER  31   2.773   3.533  -6.223
  241    HB2  SER  31           HB2      SER  31   4.581   1.109  -6.540
  242    HB3  SER  31           HB3      SER  31   4.337   2.395  -7.742
  243    HG   SER  31           HG       SER  31   5.218   3.859  -6.246
  244    H    ASP  32           H        ASP  32   1.715   0.520  -4.989
  245    HA   ASP  32           HA       ASP  32   0.282  -0.195  -7.473
  246    HB2  ASP  32           HB2      ASP  32   0.960  -1.536  -4.867
  247    HB3  ASP  32           HB3      ASP  32  -0.499  -2.043  -5.691
  248    H    VAL  33           H        VAL  33  -0.305   0.946  -4.092
  249    HA   VAL  33           HA       VAL  33  -3.163   0.762  -4.353
  250    HB   VAL  33           HB       VAL  33  -1.479   2.505  -2.509
  251   HG11  VAL  33          HG11      VAL  33  -4.388   1.606  -2.353
  252   HG12  VAL  33          HG12      VAL  33  -3.514   2.514  -1.096
  253   HG13  VAL  33          HG13      VAL  33  -3.824   3.259  -2.682
  254   HG21  VAL  33          HG21      VAL  33  -1.904   0.704  -0.859
  255   HG22  VAL  33          HG22      VAL  33  -2.738  -0.249  -2.105
  256   HG23  VAL  33          HG23      VAL  33  -0.996   0.083  -2.251
  257    H    GLU  34           H        GLU  34  -0.785   3.383  -5.015
  258    HA   GLU  34           HA       GLU  34  -2.884   5.215  -5.803
  259    HB2  GLU  34           HB2      GLU  34  -1.097   6.697  -6.452
  260    HB3  GLU  34           HB3      GLU  34  -0.706   5.970  -4.885
  261    HG2  GLU  34           HG2      GLU  34   0.751   4.318  -6.043
  262    HG3  GLU  34           HG3      GLU  34   0.384   5.089  -7.592
  263    H    ALA  35           H        ALA  35  -1.976   2.409  -7.244
  264    HA   ALA  35           HA       ALA  35  -2.411   3.500  -9.992
  265    HB1  ALA  35           HB1      ALA  35  -0.985   0.962  -9.112
  266    HB2  ALA  35           HB2      ALA  35  -1.193   1.526 -10.785
  267    HB3  ALA  35           HB3      ALA  35  -0.196   2.464  -9.651
  268    H    ILE  36           H        ILE  36  -3.757   1.619  -7.447
  269    HA   ILE  36           HA       ILE  36  -5.525   0.108  -9.290
  270    HB   ILE  36           HB       ILE  36  -4.879  -0.079  -6.333
  271   HG12  ILE  36          HG12      ILE  36  -4.514  -2.163  -8.513
  272   HG13  ILE  36          HG13      ILE  36  -3.283  -0.938  -8.201
  273   HG21  ILE  36          HG21      ILE  36  -6.302  -2.121  -6.319
  274   HG22  ILE  36          HG22      ILE  36  -7.261  -0.669  -6.632
  275   HG23  ILE  36          HG23      ILE  36  -6.827  -1.754  -7.977
  276   HD11  ILE  36          HD11      ILE  36  -3.207  -1.658  -5.808
  277   HD12  ILE  36          HD12      ILE  36  -4.323  -2.986  -6.201
  278   HD13  ILE  36          HD13      ILE  36  -2.713  -2.929  -6.955
  279    H    PHE  37           H        PHE  37  -5.449   2.892  -7.159
  280    HA   PHE  37           HA       PHE  37  -8.426   3.024  -7.260
  281    HB2  PHE  37           HB2      PHE  37  -6.393   4.145  -5.319
  282    HB3  PHE  37           HB3      PHE  37  -8.089   4.652  -5.351
  283    HD1  PHE  37           HD1      PHE  37  -5.978   1.540  -5.142
  284    HD2  PHE  37           HD2      PHE  37  -9.661   3.507  -4.098
  285    HE1  PHE  37           HE1      PHE  37  -6.628  -0.406  -3.767
  286    HE2  PHE  37           HE2      PHE  37 -10.321   1.543  -2.734
  287    HZ   PHE  37           HZ       PHE  37  -8.790  -0.413  -2.554
  288    H    SER  38           H        SER  38  -5.646   4.324  -8.750
  289    HA   SER  38           HA       SER  38  -6.650   7.023  -9.031
  290    HB2  SER  38           HB2      SER  38  -4.256   6.448  -9.115
  291    HB3  SER  38           HB3      SER  38  -4.525   5.546 -10.623
  292    HG   SER  38           HG       SER  38  -3.816   7.688 -10.998
  293    H    LYS  39           H        LYS  39  -7.636   4.065 -10.410
  294    HA   LYS  39           HA       LYS  39  -8.469   5.263 -12.959
  295    HB2  LYS  39           HB2      LYS  39  -9.244   3.066 -13.547
  296    HB3  LYS  39           HB3      LYS  39  -7.598   2.956 -12.903
  297    HG2  LYS  39           HG2      LYS  39  -8.409   2.118 -10.779
  298    HG3  LYS  39           HG3      LYS  39 -10.100   2.454 -11.227
  299    HD2  LYS  39           HD2      LYS  39  -9.924   0.870 -13.105
  300    HD3  LYS  39           HD3      LYS  39  -8.267   0.459 -12.621
  301    HE2  LYS  39           HE2      LYS  39 -10.717   0.161 -10.839
  302    HE3  LYS  39           HE3      LYS  39 -10.041  -1.155 -11.822
  303    HZ1  LYS  39           HZ1      LYS  39  -9.241  -1.215  -9.560
  304    HZ2  LYS  39           HZ2      LYS  39  -7.998  -0.954 -10.603
  305    HZ3  LYS  39           HZ3      LYS  39  -8.594   0.279  -9.695
  306    H    TYR  40           H        TYR  40  -9.662   5.380  -9.856
  307    HA   TYR  40           HA       TYR  40 -12.491   5.558 -10.806
  308    HB2  TYR  40           HB2      TYR  40 -11.241   4.435  -8.325
  309    HB3  TYR  40           HB3      TYR  40 -12.810   5.228  -8.188
  310    HD1  TYR  40           HD2      TYR  40 -14.648   4.501  -9.888
  311    HD2  TYR  40           HD1      TYR  40 -11.194   2.148  -8.886
  312    HE1  TYR  40           HE2      TYR  40 -15.854   2.443 -10.591
  313    HE2  TYR  40           HE1      TYR  40 -12.380   0.092  -9.621
  314    HH   TYR  40           HH       TYR  40 -14.321  -0.788 -10.459
  315    H    GLY  41           H        GLY  41  -9.828   7.420  -9.885
  316    HA2  GLY  41           HA2      GLY  41 -11.273   9.823  -9.860
  317    HA3  GLY  41           HA3      GLY  41 -11.097   9.327  -8.170
  318    H    LYS  42           H        LYS  42  -9.982  11.690  -9.016
  319    HA   LYS  42           HA       LYS  42  -7.152  11.307  -9.623
  320    HB2  LYS  42           HB2      LYS  42  -8.189  13.320 -10.444
  321    HB3  LYS  42           HB3      LYS  42  -8.863  13.696  -8.849
  322    HG2  LYS  42           HG2      LYS  42  -6.928  15.121  -9.320
  323    HG3  LYS  42           HG3      LYS  42  -6.639  14.080  -7.927
  324    HD2  LYS  42           HD2      LYS  42  -5.381  12.489  -9.458
  325    HD3  LYS  42           HD3      LYS  42  -5.537  13.720 -10.739
  326    HE2  LYS  42           HE2      LYS  42  -4.422  15.369  -9.230
  327    HE3  LYS  42           HE3      LYS  42  -4.257  14.112  -7.999
  328    HZ1  LYS  42           HZ1      LYS  42  -2.256  14.357  -9.297
  329    HZ2  LYS  42           HZ2      LYS  42  -2.898  12.864  -9.542
  330    HZ3  LYS  42           HZ3      LYS  42  -3.062  14.030 -10.691
  331    H    ILE  43           H        ILE  43  -5.780  10.523  -8.144
  332    HA   ILE  43           HA       ILE  43  -6.351  10.851  -5.280
  333    HB   ILE  43           HB       ILE  43  -4.096   9.480  -6.785
  334   HG12  ILE  43          HG12      ILE  43  -6.562   8.443  -5.331
  335   HG13  ILE  43          HG13      ILE  43  -6.274   8.396  -7.083
  336   HG21  ILE  43          HG21      ILE  43  -4.781   9.452  -3.813
  337   HG22  ILE  43          HG22      ILE  43  -3.480   8.525  -4.590
  338   HG23  ILE  43          HG23      ILE  43  -3.385  10.288  -4.540
  339   HD11  ILE  43          HD11      ILE  43  -4.694   6.873  -4.962
  340   HD12  ILE  43          HD12      ILE  43  -5.859   6.198  -6.104
  341   HD13  ILE  43          HD13      ILE  43  -4.328   6.889  -6.705
  342    H    VAL  44           H        VAL  44  -5.566  12.423  -4.057
  343    HA   VAL  44           HA       VAL  44  -3.242  14.004  -5.053
  344    HB   VAL  44           HB       VAL  44  -4.232  15.916  -3.763
  345   HG11  VAL  44          HG11      VAL  44  -5.921  14.814  -6.042
  346   HG12  VAL  44          HG12      VAL  44  -5.787  16.517  -5.553
  347   HG13  VAL  44          HG13      VAL  44  -4.380  15.680  -6.240
  348   HG21  VAL  44          HG21      VAL  44  -5.800  14.574  -2.356
  349   HG22  VAL  44          HG22      VAL  44  -6.632  15.858  -3.264
  350   HG23  VAL  44          HG23      VAL  44  -6.736  14.182  -3.827
  351    H    GLY  45           H        GLY  45  -3.956  11.651  -2.983
  352    HA2  GLY  45           HA2      GLY  45  -1.571  12.109  -1.459
  353    HA3  GLY  45           HA3      GLY  45  -3.017  12.337  -0.456
  354    H    CYS  46           H        CYS  46  -0.929  10.098  -0.419
  355    HA   CYS  46           HA       CYS  46  -2.861   7.897  -0.340
  356    HB2  CYS  46           HB2      CYS  46  -2.206   7.966  -2.735
  357    HB3  CYS  46           HB3      CYS  46  -0.496   7.839  -2.264
  358    HG   CYS  46           HG       CYS  46  -1.294   5.530  -3.161
  359    H    SER  47           H        SER  47  -2.143   6.178   0.963
  360    HA   SER  47           HA       SER  47   0.682   6.025   1.708
  361    HB2  SER  47           HB2      SER  47   0.280   6.074   4.104
  362    HB3  SER  47           HB3      SER  47  -0.228   7.613   3.377
  363    HG   SER  47           HG       SER  47  -2.321   7.039   3.643
  364    H    VAL  48           H        VAL  48   1.179   4.003   2.820
  365    HA   VAL  48           HA       VAL  48  -0.962   1.969   2.752
  366    HB   VAL  48           HB       VAL  48   0.066   1.935   0.528
  367   HG11  VAL  48          HG11      VAL  48   2.662   1.310   1.992
  368   HG12  VAL  48          HG12      VAL  48   2.403   1.245   0.237
  369   HG13  VAL  48          HG13      VAL  48   2.288   2.800   1.080
  370   HG21  VAL  48          HG21      VAL  48  -0.737  -0.178   1.541
  371   HG22  VAL  48          HG22      VAL  48   0.607  -0.417   0.407
  372   HG23  VAL  48          HG23      VAL  48   0.908  -0.492   2.156
  373    H    HIS  49           H        HIS  49  -0.561   0.179   4.116
  374    HA   HIS  49           HA       HIS  49   1.666   0.524   6.050
  375    HB2  HIS  49           HB2      HIS  49  -1.239   0.248   6.874
  376    HB3  HIS  49           HB3      HIS  49   0.141   0.674   7.894
  377    HD2  HIS  49           HD3      HIS  49  -2.493   2.144   5.585
  378    HE1  HIS  49           HE1      HIS  49  -0.045   5.427   6.726
  379    HE2  HIS  49           HE2      HIS  49  -2.184   4.753   5.537
  380    H    LYS  50           H        LYS  50   1.042  -1.371   7.896
  381    HA   LYS  50           HA       LYS  50   0.969  -3.886   6.377
  382    HB2  LYS  50           HB2      LYS  50   1.323  -3.118   9.284
  383    HB3  LYS  50           HB3      LYS  50   0.999  -4.798   8.827
  384    HG2  LYS  50           HG2      LYS  50   3.327  -3.185   7.718
  385    HG3  LYS  50           HG3      LYS  50   3.417  -4.285   9.109
  386    HD2  LYS  50           HD2      LYS  50   2.504  -6.125   7.605
  387    HD3  LYS  50           HD3      LYS  50   2.680  -5.010   6.239
  388    HE2  LYS  50           HE2      LYS  50   4.610  -6.472   6.352
  389    HE3  LYS  50           HE3      LYS  50   5.102  -4.806   6.717
  390    HZ1  LYS  50           HZ1      LYS  50   4.601  -6.951   8.674
  391    HZ2  LYS  50           HZ2      LYS  50   6.076  -6.367   8.248
  392    HZ3  LYS  50           HZ3      LYS  50   5.023  -5.402   9.058
  393    H    GLY  51           H        GLY  51  -0.773  -5.044   5.955
  394    HA2  GLY  51           HA2      GLY  51  -2.844  -5.993   6.128
  395    HA3  GLY  51           HA3      GLY  51  -2.998  -5.293   7.749
  396    H    PHE  52           H        PHE  52  -2.442  -2.541   6.030
  397    HA   PHE  52           HA       PHE  52  -5.025  -2.331   4.706
  398    HB2  PHE  52           HB2      PHE  52  -5.926  -0.586   6.110
  399    HB3  PHE  52           HB3      PHE  52  -5.683  -2.050   7.049
  400    HD1  PHE  52           HD2      PHE  52  -3.786  -2.162   8.704
  401    HD2  PHE  52           HD1      PHE  52  -4.786   1.455   6.601
  402    HE1  PHE  52           HE2      PHE  52  -2.463  -0.845  10.338
  403    HE2  PHE  52           HE1      PHE  52  -3.457   2.764   8.226
  404    HZ   PHE  52           HZ       PHE  52  -2.284   1.615  10.090
  405    H    ALA  53           H        ALA  53  -5.393  -0.002   3.957
  406    HA   ALA  53           HA       ALA  53  -2.959   1.635   3.688
  407    HB1  ALA  53           HB1      ALA  53  -4.439   0.511   1.277
  408    HB2  ALA  53           HB2      ALA  53  -3.077   1.660   1.250
  409    HB3  ALA  53           HB3      ALA  53  -2.832   0.001   1.845
  410    H    PHE  54           H        PHE  54  -3.547   3.693   2.376
  411    HA   PHE  54           HA       PHE  54  -6.400   4.432   2.591
  412    HB2  PHE  54           HB2      PHE  54  -4.109   5.607   4.137
  413    HB3  PHE  54           HB3      PHE  54  -5.313   6.708   3.471
  414    HD1  PHE  54           HD1      PHE  54  -7.703   6.523   4.075
  415    HD2  PHE  54           HD2      PHE  54  -4.636   4.291   6.107
  416    HE1  PHE  54           HE1      PHE  54  -9.255   6.113   5.962
  417    HE2  PHE  54           HE2      PHE  54  -6.190   3.889   7.994
  418    HZ   PHE  54           HZ       PHE  54  -8.502   4.798   7.919
  419    H    VAL  55           H        VAL  55  -7.035   6.115   1.260
  420    HA   VAL  55           HA       VAL  55  -5.028   7.272  -0.603
  421    HB   VAL  55           HB       VAL  55  -7.605   5.853  -1.419
  422   HG11  VAL  55          HG11      VAL  55  -5.570   7.431  -3.034
  423   HG12  VAL  55          HG12      VAL  55  -6.884   6.440  -3.725
  424   HG13  VAL  55          HG13      VAL  55  -7.273   7.871  -2.757
  425   HG21  VAL  55          HG21      VAL  55  -5.751   4.286  -1.004
  426   HG22  VAL  55          HG22      VAL  55  -6.072   4.424  -2.743
  427   HG23  VAL  55          HG23      VAL  55  -4.679   5.264  -2.027
  428    H    GLN  56           H        GLN  56  -5.498   9.391  -1.147
  429    HA   GLN  56           HA       GLN  56  -8.001  10.536   0.012
  430    HB2  GLN  56           HB2      GLN  56  -5.996  11.212   1.232
  431    HB3  GLN  56           HB3      GLN  56  -5.221  11.712  -0.285
  432    HG2  GLN  56           HG2      GLN  56  -5.984  13.689   0.812
  433    HG3  GLN  56           HG3      GLN  56  -7.074  13.421  -0.553
  434   HE21  GLN  56          HE21      GLN  56  -9.247  13.215  -0.151
  435   HE22  GLN  56          HE22      GLN  56  -9.957  13.132   1.453
  436    H    TYR  57           H        TYR  57  -9.407  11.136  -1.511
  437    HA   TYR  57           HA       TYR  57  -8.440  11.796  -4.228
  438    HB2  TYR  57           HB2      TYR  57 -11.201  11.282  -3.066
  439    HB3  TYR  57           HB3      TYR  57 -10.906  11.792  -4.724
  440    HD1  TYR  57           HD2      TYR  57  -8.713  10.230  -5.701
  441    HD2  TYR  57           HD1      TYR  57 -11.852   9.089  -3.002
  442    HE1  TYR  57           HE2      TYR  57  -8.554   7.885  -6.520
  443    HE2  TYR  57           HE1      TYR  57 -11.712   6.736  -3.837
  444    HH   TYR  57           HH       TYR  57 -10.702   5.312  -5.253
  445    H    VAL  58           H        VAL  58 -10.072  13.551  -5.227
  446    HA   VAL  58           HA       VAL  58  -9.379  16.008  -3.823
  447    HB   VAL  58           HB       VAL  58 -10.834  15.472  -6.444
  448   HG11  VAL  58          HG11      VAL  58  -9.698  18.059  -5.292
  449   HG12  VAL  58          HG12      VAL  58 -10.289  17.848  -6.959
  450   HG13  VAL  58          HG13      VAL  58 -11.419  17.714  -5.601
  451   HG21  VAL  58          HG21      VAL  58  -8.474  14.710  -6.402
  452   HG22  VAL  58          HG22      VAL  58  -8.687  16.120  -7.463
  453   HG23  VAL  58          HG23      VAL  58  -7.973  16.319  -5.841
  454    H    ASN  59           H        ASN  59 -12.214  13.963  -4.202
  455    HA   ASN  59           HA       ASN  59 -13.753  15.709  -2.410
  456    HB2  ASN  59           HB2      ASN  59 -15.671  15.818  -3.996
  457    HB3  ASN  59           HB3      ASN  59 -14.248  16.668  -4.604
  458   HD21  ASN  59          HD21      ASN  59 -13.890  16.319  -6.727
  459   HD22  ASN  59          HD22      ASN  59 -14.273  14.828  -7.585
  460    H    GLU  60           H        GLU  60 -16.071  14.677  -2.205
  461    HA   GLU  60           HA       GLU  60 -15.674  12.013  -1.166
  462    HB2  GLU  60           HB2      GLU  60 -17.130  13.448   0.035
  463    HB3  GLU  60           HB3      GLU  60 -17.995  13.949  -1.426
  464    HG2  GLU  60           HG2      GLU  60 -19.061  11.794  -1.650
  465    HG3  GLU  60           HG3      GLU  60 -18.047  11.095  -0.385
  466    H    ARG  61           H        ARG  61 -17.143  13.354  -4.106
  467    HA   ARG  61           HA       ARG  61 -18.642  11.102  -4.937
  468    HB2  ARG  61           HB2      ARG  61 -19.123  12.959  -6.147
  469    HB3  ARG  61           HB3      ARG  61 -17.496  13.603  -6.036
  470    HG2  ARG  61           HG2      ARG  61 -17.903  13.197  -8.328
  471    HG3  ARG  61           HG3      ARG  61 -16.725  12.007  -7.787
  472    HD2  ARG  61           HD2      ARG  61 -18.557  10.326  -7.557
  473    HD3  ARG  61           HD3      ARG  61 -19.724  11.535  -8.106
  474    HE   ARG  61           HE       ARG  61 -17.765  10.065  -9.734
  475   HH11  ARG  61          HH11      ARG  61 -19.983  12.813  -9.587
  476   HH12  ARG  61          HH12      ARG  61 -20.101  12.967 -11.323
  477   HH21  ARG  61          HH21      ARG  61 -17.936  10.280 -11.996
  478   HH22  ARG  61          HH22      ARG  61 -18.944  11.531 -12.682
  479    H    ASN  62           H        ASN  62 -15.190  11.904  -5.385
  480    HA   ASN  62           HA       ASN  62 -14.596   9.648  -7.066
  481    HB2  ASN  62           HB2      ASN  62 -13.006  11.572  -5.357
  482    HB3  ASN  62           HB3      ASN  62 -12.220  10.190  -6.149
  483   HD21  ASN  62          HD21      ASN  62 -14.794  12.488  -7.257
  484   HD22  ASN  62          HD22      ASN  62 -13.954  12.896  -8.750
  485    H    ALA  63           H        ALA  63 -14.706  10.137  -3.518
  486    HA   ALA  63           HA       ALA  63 -13.409   7.651  -2.878
  487    HB1  ALA  63           HB1      ALA  63 -13.582   9.515  -1.282
  488    HB2  ALA  63           HB2      ALA  63 -15.356   9.319  -1.236
  489    HB3  ALA  63           HB3      ALA  63 -14.299   8.025  -0.633
  490    H    ARG  64           H        ARG  64 -16.872   8.576  -3.292
  491    HA   ARG  64           HA       ARG  64 -17.908   5.996  -2.567
  492    HB2  ARG  64           HB2      ARG  64 -19.041   8.080  -4.488
  493    HB3  ARG  64           HB3      ARG  64 -19.946   6.763  -3.737
  494    HG2  ARG  64           HG2      ARG  64 -18.620   9.071  -2.252
  495    HG3  ARG  64           HG3      ARG  64 -20.342   8.939  -2.634
  496    HD2  ARG  64           HD2      ARG  64 -20.525   6.928  -1.245
  497    HD3  ARG  64           HD3      ARG  64 -18.782   6.999  -0.887
  498    HE   ARG  64           HE       ARG  64 -19.832   9.499  -0.187
  499   HH11  ARG  64          HH11      ARG  64 -20.295   6.146   0.848
  500   HH12  ARG  64          HH12      ARG  64 -20.674   6.601   2.496
  501   HH21  ARG  64          HH21      ARG  64 -20.367  10.043   1.925
  502   HH22  ARG  64          HH22      ARG  64 -20.760   8.803   3.095
  503    H    ALA  65           H        ALA  65 -16.356   7.226  -5.474
  504    HA   ALA  65           HA       ALA  65 -17.438   5.292  -7.288
  505    HB1  ALA  65           HB1      ALA  65 -14.798   6.806  -7.417
  506    HB2  ALA  65           HB2      ALA  65 -15.666   6.072  -8.774
  507    HB3  ALA  65           HB3      ALA  65 -16.369   7.471  -7.928
  508    H    ALA  66           H        ALA  66 -14.448   5.377  -5.271
  509    HA   ALA  66           HA       ALA  66 -13.742   2.695  -6.278
  510    HB1  ALA  66           HB1      ALA  66 -11.662   3.039  -5.026
  511    HB2  ALA  66           HB2      ALA  66 -12.026   4.427  -6.076
  512    HB3  ALA  66           HB3      ALA  66 -12.321   4.531  -4.319
  513    H    VAL  67           H        VAL  67 -15.121   4.182  -3.372
  514    HA   VAL  67           HA       VAL  67 -14.753   1.874  -1.689
  515    HB   VAL  67           HB       VAL  67 -16.499   4.358  -1.536
  516   HG11  VAL  67          HG11      VAL  67 -16.421   2.012   0.386
  517   HG12  VAL  67          HG12      VAL  67 -17.084   3.624   0.768
  518   HG13  VAL  67          HG13      VAL  67 -17.839   2.636  -0.491
  519   HG21  VAL  67          HG21      VAL  67 -14.047   4.494  -1.104
  520   HG22  VAL  67          HG22      VAL  67 -15.027   4.855   0.339
  521   HG23  VAL  67          HG23      VAL  67 -14.231   3.277   0.180
  522    H    ALA  68           H        ALA  68 -17.011   2.678  -4.228
  523    HA   ALA  68           HA       ALA  68 -18.500   0.172  -3.584
  524    HB1  ALA  68           HB1      ALA  68 -19.870   2.235  -3.677
  525    HB2  ALA  68           HB2      ALA  68 -19.331   2.504  -5.353
  526    HB3  ALA  68           HB3      ALA  68 -20.301   1.073  -4.952
  527    H    GLY  69           H        GLY  69 -16.079   1.437  -5.651
  528    HA2  GLY  69           HA2      GLY  69 -16.842  -0.252  -7.947
  529    HA3  GLY  69           HA3      GLY  69 -15.509   0.904  -7.850
  530    H    GLU  70           H        GLU  70 -14.413  -0.196  -5.309
  531    HA   GLU  70           HA       GLU  70 -13.164  -2.669  -6.471
  532    HB2  GLU  70           HB2      GLU  70 -11.982  -0.443  -4.786
  533    HB3  GLU  70           HB3      GLU  70 -11.129  -1.929  -5.226
  534    HG2  GLU  70           HG2      GLU  70 -12.251   0.051  -7.246
  535    HG3  GLU  70           HG3      GLU  70 -10.587   0.058  -6.661
  536    H    ASP  71           H        ASP  71 -15.036  -1.470  -3.800
  537    HA   ASP  71           HA       ASP  71 -13.852  -2.963  -1.705
  538    HB2  ASP  71           HB2      ASP  71 -15.479  -1.260  -1.235
  539    HB3  ASP  71           HB3      ASP  71 -16.706  -2.086  -2.199
  540    H    GLY  72           H        GLY  72 -13.778  -5.057  -1.199
  541    HA2  GLY  72           HA2      GLY  72 -14.467  -7.256  -1.027
  542    HA3  GLY  72           HA3      GLY  72 -15.835  -6.926  -2.107
  543    H    ARG  73           H        ARG  73 -12.771  -5.827  -3.328
  544    HA   ARG  73           HA       ARG  73 -12.870  -8.009  -5.311
  545    HB2  ARG  73           HB2      ARG  73 -11.663  -6.704  -6.756
  546    HB3  ARG  73           HB3      ARG  73 -12.696  -5.526  -5.924
  547    HG2  ARG  73           HG2      ARG  73 -10.874  -4.652  -4.669
  548    HG3  ARG  73           HG3      ARG  73  -9.849  -6.060  -4.984
  549    HD2  ARG  73           HD2      ARG  73 -10.819  -4.229  -7.195
  550    HD3  ARG  73           HD3      ARG  73  -9.300  -3.973  -6.315
  551    HE   ARG  73           HE       ARG  73  -9.338  -6.661  -7.190
  552   HH11  ARG  73          HH11      ARG  73  -9.156  -3.419  -8.584
  553   HH12  ARG  73          HH12      ARG  73  -8.255  -3.948  -9.988
  554   HH21  ARG  73          HH21      ARG  73  -8.146  -7.314  -8.997
  555   HH22  ARG  73          HH22      ARG  73  -7.686  -6.153 -10.219
  556    H    MET  74           H        MET  74 -10.849  -9.067  -6.041
  557    HA   MET  74           HA       MET  74  -9.106  -9.616  -3.711
  558    HB2  MET  74           HB2      MET  74 -10.098 -11.563  -4.656
  559    HB3  MET  74           HB3      MET  74  -9.582 -11.124  -6.300
  560    HG2  MET  74           HG2      MET  74  -7.312 -11.518  -5.838
  561    HG3  MET  74           HG3      MET  74  -7.549 -11.413  -4.085
  562    HE1  MET  74           HE1      MET  74  -8.211 -13.110  -2.550
  563    HE2  MET  74           HE2      MET  74  -9.827 -13.173  -3.272
  564    HE3  MET  74           HE3      MET  74  -8.948 -14.689  -2.935
  565    H    ILE  75           H        ILE  75  -7.009  -9.194  -3.638
  566    HA   ILE  75           HA       ILE  75  -5.525  -8.412  -6.066
  567    HB   ILE  75           HB       ILE  75  -5.545  -6.785  -3.494
  568   HG12  ILE  75          HG12      ILE  75  -6.558  -6.043  -6.282
  569   HG13  ILE  75          HG13      ILE  75  -7.598  -6.467  -4.917
  570   HG21  ILE  75          HG21      ILE  75  -4.069  -6.357  -6.118
  571   HG22  ILE  75          HG22      ILE  75  -4.040  -5.263  -4.715
  572   HG23  ILE  75          HG23      ILE  75  -3.336  -6.874  -4.577
  573   HD11  ILE  75          HD11      ILE  75  -7.540  -4.079  -5.101
  574   HD12  ILE  75          HD12      ILE  75  -6.674  -4.544  -3.624
  575   HD13  ILE  75          HD13      ILE  75  -5.761  -4.054  -5.069
  576    H    ALA  76           H        ALA  76  -3.507  -9.285  -6.040
  577    HA   ALA  76           HA       ALA  76  -1.847 -10.682  -5.460
  578    HB1  ALA  76           HB1      ALA  76  -2.008  -9.128  -2.868
  579    HB2  ALA  76           HB2      ALA  76  -0.608 -10.063  -3.444
  580    HB3  ALA  76           HB3      ALA  76  -1.149  -8.629  -4.347
  581    H    GLY  77           H        GLY  77  -4.729 -11.571  -4.565
  582    HA2  GLY  77           HA2      GLY  77  -5.044 -13.928  -4.262
  583    HA3  GLY  77           HA3      GLY  77  -3.640 -13.969  -3.186
  584    H    GLN  78           H        GLN  78  -5.289 -11.225  -2.243
  585    HA   GLN  78           HA       GLN  78  -7.243 -12.700  -0.542
  586    HB2  GLN  78           HB2      GLN  78  -5.193 -10.663   0.385
  587    HB3  GLN  78           HB3      GLN  78  -6.647 -11.066   1.299
  588    HG2  GLN  78           HG2      GLN  78  -5.639 -12.838   2.194
  589    HG3  GLN  78           HG3      GLN  78  -5.410 -13.551   0.592
  590   HE21  GLN  78          HE21      GLN  78  -3.511 -12.636  -0.696
  591   HE22  GLN  78          HE22      GLN  78  -2.036 -12.318   0.201
  592    H    VAL  79           H        VAL  79  -8.927 -11.345   0.331
  593    HA   VAL  79           HA       VAL  79  -9.639  -9.182  -1.569
  594    HB   VAL  79           HB       VAL  79 -11.294 -10.717   0.470
  595   HG11  VAL  79          HG11      VAL  79 -12.135  -8.584  -1.544
  596   HG12  VAL  79          HG12      VAL  79 -13.241  -9.605  -0.599
  597   HG13  VAL  79          HG13      VAL  79 -12.198  -8.445   0.231
  598   HG21  VAL  79          HG21      VAL  79 -11.246 -10.709  -2.582
  599   HG22  VAL  79          HG22      VAL  79 -10.652 -12.021  -1.540
  600   HG23  VAL  79          HG23      VAL  79 -12.385 -11.632  -1.566
  601    H    LEU  80           H        LEU  80 -10.283  -7.164  -0.878
  602    HA   LEU  80           HA       LEU  80  -9.342  -6.393   1.841
  603    HB2  LEU  80           HB2      LEU  80  -9.039  -4.088   0.550
  604    HB3  LEU  80           HB3      LEU  80  -7.751  -5.261   0.765
  605    HG   LEU  80           HG       LEU  80  -7.788  -4.290  -1.462
  606   HD11  LEU  80          HD11      LEU  80  -6.919  -6.606  -1.094
  607   HD12  LEU  80          HD12      LEU  80  -8.464  -7.243  -1.720
  608   HD13  LEU  80          HD13      LEU  80  -7.457  -6.248  -2.752
  609   HD21  LEU  80          HD21      LEU  80 -10.419  -5.740  -1.912
  610   HD22  LEU  80          HD22      LEU  80  -9.512  -4.718  -3.060
  611   HD23  LEU  80          HD23      LEU  80 -10.262  -3.999  -1.615
  612    H    ASP  81           H        ASP  81 -10.473  -4.943   2.991
  613    HA   ASP  81           HA       ASP  81 -13.303  -4.655   2.174
  614    HB2  ASP  81           HB2      ASP  81 -12.812  -5.811   4.305
  615    HB3  ASP  81           HB3      ASP  81 -11.845  -4.435   4.841
  616    H    ILE  82           H        ILE  82 -13.505  -2.806   0.983
  617    HA   ILE  82           HA       ILE  82 -11.970  -0.424   1.834
  618    HB   ILE  82           HB       ILE  82 -13.445  -1.072  -0.733
  619   HG12  ILE  82          HG12      ILE  82 -10.456  -0.802  -0.249
  620   HG13  ILE  82          HG13      ILE  82 -11.290  -2.365  -0.166
  621   HG21  ILE  82          HG21      ILE  82 -12.393   0.963  -1.627
  622   HG22  ILE  82          HG22      ILE  82 -13.395   1.356  -0.220
  623   HG23  ILE  82          HG23      ILE  82 -11.622   1.268  -0.055
  624   HD11  ILE  82          HD11      ILE  82 -11.268  -0.547  -2.607
  625   HD12  ILE  82          HD12      ILE  82 -10.312  -2.031  -2.390
  626   HD13  ILE  82          HD13      ILE  82 -12.091  -2.115  -2.460
  627    H    ASN  83           H        ASN  83 -12.969   1.485   2.427
  628    HA   ASN  83           HA       ASN  83 -15.887   1.697   2.359
  629    HB2  ASN  83           HB2      ASN  83 -15.230   0.147   4.316
  630    HB3  ASN  83           HB3      ASN  83 -14.490   1.569   5.062
  631   HD21  ASN  83          HD21      ASN  83 -15.919   3.301   5.834
  632   HD22  ASN  83          HD22      ASN  83 -17.626   2.981   6.032
  633    H    LEU  84           H        LEU  84 -16.631   3.786   3.260
  634    HA   LEU  84           HA       LEU  84 -14.873   5.979   2.736
  635    HB2  LEU  84           HB2      LEU  84 -17.638   5.530   3.299
  636    HB3  LEU  84           HB3      LEU  84 -17.051   6.609   4.563
  637    HG   LEU  84           HG       LEU  84 -18.006   7.831   2.660
  638   HD11  LEU  84          HD11      LEU  84 -14.994   8.210   2.880
  639   HD12  LEU  84          HD12      LEU  84 -16.189   9.408   2.330
  640   HD13  LEU  84          HD13      LEU  84 -16.215   8.850   4.017
  641   HD21  LEU  84          HD21      LEU  84 -15.676   6.756   1.023
  642   HD22  LEU  84          HD22      LEU  84 -16.927   7.887   0.484
  643   HD23  LEU  84          HD23      LEU  84 -17.367   6.211   0.865
  644    H    ALA  85           H        ALA  85 -13.804   7.401   4.302
  645    HA   ALA  85           HA       ALA  85 -12.786   5.796   6.490
  646    HB1  ALA  85           HB1      ALA  85 -12.089   8.598   5.571
  647    HB2  ALA  85           HB2      ALA  85 -11.179   7.655   6.769
  648    HB3  ALA  85           HB3      ALA  85 -11.275   7.077   5.092
  649    H    ALA  86           H        ALA  86 -15.491   7.713   6.316
  650    HA   ALA  86           HA       ALA  86 -15.340   8.247   9.242
  651    HB1  ALA  86           HB1      ALA  86 -16.688  10.265   8.862
  652    HB2  ALA  86           HB2      ALA  86 -15.158  10.332   7.959
  653    HB3  ALA  86           HB3      ALA  86 -16.679   9.947   7.107
  654    H    GLU  87           H        GLU  87 -16.506   6.044   7.308
  655    HA   GLU  87           HA       GLU  87 -19.160   5.973   8.634
  656    HB2  GLU  87           HB2      GLU  87 -18.714   5.440   5.678
  657    HB3  GLU  87           HB3      GLU  87 -20.248   5.303   6.561
  658    HG2  GLU  87           HG2      GLU  87 -20.076   7.748   7.126
  659    HG3  GLU  87           HG3      GLU  87 -18.649   7.851   6.085
  660    HA   PRO  88           HA       PRO  88 -16.751   1.894   8.454
  661    HB2  PRO  88           HB2      PRO  88 -16.223   1.537  11.128
  662    HB3  PRO  88           HB3      PRO  88 -15.134   2.419  10.014
  663    HG2  PRO  88           HG2      PRO  88 -17.242   3.576  11.868
  664    HG3  PRO  88           HG3      PRO  88 -15.530   4.096  11.684
  665    HD2  PRO  88           HD2      PRO  88 -17.531   5.392  10.386
  666    HD3  PRO  88           HD3      PRO  88 -15.970   5.087   9.572
  667    H    LYS  89           H        LYS  89 -17.800  -0.023   8.733
  668    HA   LYS  89           HA       LYS  89 -20.203  -0.143  10.484
  669    HB2  LYS  89           HB2      LYS  89 -20.069  -0.930   7.544
  670    HB3  LYS  89           HB3      LYS  89 -21.426  -1.273   8.633
  671    HG2  LYS  89           HG2      LYS  89 -21.789   1.140   8.980
  672    HG3  LYS  89           HG3      LYS  89 -20.406   1.509   7.921
  673    HD2  LYS  89           HD2      LYS  89 -21.517   0.361   6.044
  674    HD3  LYS  89           HD3      LYS  89 -22.920   0.007   7.081
  675    HE2  LYS  89           HE2      LYS  89 -23.265   2.435   7.427
  676    HE3  LYS  89           HE3      LYS  89 -21.861   2.782   6.402
  677    HZ1  LYS  89           HZ1      LYS  89 -23.913   2.960   5.176
  678    HZ2  LYS  89           HZ2      LYS  89 -23.018   1.718   4.582
  679    HZ3  LYS  89           HZ3      LYS  89 -24.322   1.409   5.536
  680    H    VAL  90           H        VAL  90 -17.251  -1.396   9.743
  681    HA   VAL  90           HA       VAL  90 -18.065  -4.229  10.187
  682    HB   VAL  90           HB       VAL  90 -15.527  -3.077   8.981
  683   HG11  VAL  90          HG11      VAL  90 -16.501  -5.950   9.278
  684   HG12  VAL  90          HG12      VAL  90 -15.098  -5.446   8.324
  685   HG13  VAL  90          HG13      VAL  90 -15.074  -5.231  10.080
  686   HG21  VAL  90          HG21      VAL  90 -17.476  -2.807   7.507
  687   HG22  VAL  90          HG22      VAL  90 -16.413  -4.084   6.885
  688   HG23  VAL  90          HG23      VAL  90 -17.906  -4.522   7.734
  689    H    ASN  91           H        ASN  91 -16.804  -5.509  11.620
  690    HA   ASN  91           HA       ASN  91 -16.455  -4.086  14.105
  691    HB2  ASN  91           HB2      ASN  91 -15.820  -7.009  13.629
  692    HB3  ASN  91           HB3      ASN  91 -16.408  -6.235  15.108
  693   HD21  ASN  91          HD21      ASN  91 -17.247  -7.416  11.894
  694   HD22  ASN  91          HD22      ASN  91 -18.987  -7.414  12.124
  695    H    ARG  92           H        ARG  92 -14.354  -4.321  11.620
  696    HA   ARG  92           HA       ARG  92 -12.128  -4.571  11.301
  697    HB2  ARG  92           HB2      ARG  92 -12.153  -3.005  13.911
  698    HB3  ARG  92           HB3      ARG  92 -10.706  -3.237  12.908
  699    HG2  ARG  92           HG2      ARG  92 -11.963  -2.278  10.956
  700    HG3  ARG  92           HG3      ARG  92 -13.298  -1.883  12.059
  701    HD2  ARG  92           HD2      ARG  92 -10.431  -0.863  12.262
  702    HD3  ARG  92           HD3      ARG  92 -11.814   0.064  11.686
  703    HE   ARG  92           HE       ARG  92 -12.795  -0.105  13.941
  704   HH11  ARG  92          HH11      ARG  92  -9.316  -0.787  13.646
  705   HH12  ARG  92          HH12      ARG  92  -9.009  -0.412  15.319
  706   HH21  ARG  92          HH21      ARG  92 -12.329   0.369  16.104
  707   HH22  ARG  92          HH22      ARG  92 -10.691   0.234  16.703
  708    H    GLY  93           H        GLY  93 -13.082  -6.905  12.055
  709    HA2  GLY  93           HA2      GLY  93 -11.869  -8.039  14.383
  710    HA3  GLY  93           HA3      GLY  93 -12.679  -8.906  13.059
  711    H    LYS  94           H        LYS  94 -10.212  -6.926  11.839
  712    HA   LYS  94           HA       LYS  94  -8.233  -7.301  10.869
  713    HB2  LYS  94           HB2      LYS  94  -7.747  -9.137  13.220
  714    HB3  LYS  94           HB3      LYS  94  -6.513  -8.407  12.171
  715    HG2  LYS  94           HG2      LYS  94  -7.357  -6.136  12.841
  716    HG3  LYS  94           HG3      LYS  94  -8.458  -6.911  13.989
  717    HD2  LYS  94           HD2      LYS  94  -5.420  -7.122  14.002
  718    HD3  LYS  94           HD3      LYS  94  -6.396  -6.133  15.097
  719    HE2  LYS  94           HE2      LYS  94  -6.524  -9.169  14.872
  720    HE3  LYS  94           HE3      LYS  94  -5.654  -8.275  16.124
  721    HZ1  LYS  94           HZ1      LYS  94  -7.744  -7.319  16.825
  722    HZ2  LYS  94           HZ2      LYS  94  -8.559  -8.156  15.669
  723    HZ3  LYS  94           HZ3      LYS  94  -7.805  -8.959  16.888
  724    H    ALA  95           H        ALA  95 -10.526  -9.635  10.732
  725    HA   ALA  95           HA       ALA  95  -9.125 -10.951   8.534
  726    HB1  ALA  95           HB1      ALA  95 -10.180 -12.519  10.930
  727    HB2  ALA  95           HB2      ALA  95  -9.568 -13.228   9.414
  728    HB3  ALA  95           HB3      ALA  95  -8.467 -12.335  10.488
  729    H    GLY  96           H        GLY  96 -10.598 -12.002   7.099
  730    HA2  GLY  96           HA2      GLY  96 -13.277 -10.900   7.118
  731    HA3  GLY  96           HA3      GLY  96 -12.582 -12.021   5.925
  732    H    VAL  97           H        VAL  97 -11.973 -13.399   8.854
  733    HA   VAL  97           HA       VAL  97 -14.061 -15.409   8.522
  734    HB   VAL  97           HB       VAL  97 -11.904 -15.057  10.653
  735   HG11  VAL  97          HG11      VAL  97 -13.534 -17.484   9.804
  736   HG12  VAL  97          HG12      VAL  97 -12.164 -17.507  10.938
  737   HG13  VAL  97          HG13      VAL  97 -13.645 -16.622  11.363
  738   HG21  VAL  97          HG21      VAL  97 -10.920 -15.191   8.397
  739   HG22  VAL  97          HG22      VAL  97 -10.632 -16.695   9.296
  740   HG23  VAL  97          HG23      VAL  97 -11.902 -16.630   8.043
  741    H    LYS  98           H        LYS  98 -13.577 -12.539  10.438
  742    HA   LYS  98           HA       LYS  98 -15.428 -13.295  12.557
  743    HB2  LYS  98           HB2      LYS  98 -14.190 -10.633  11.789
  744    HB3  LYS  98           HB3      LYS  98 -15.112 -10.934  13.273
  745    HG2  LYS  98           HG2      LYS  98 -12.497 -12.300  12.494
  746    HG3  LYS  98           HG3      LYS  98 -12.690 -11.021  13.703
  747    HD2  LYS  98           HD2      LYS  98 -14.194 -12.517  15.013
  748    HD3  LYS  98           HD3      LYS  98 -13.906 -13.816  13.830
  749    HE2  LYS  98           HE2      LYS  98 -11.479 -13.699  14.302
  750    HE3  LYS  98           HE3      LYS  98 -11.774 -12.415  15.488
  751    HZ1  LYS  98           HZ1      LYS  98 -13.112 -13.965  16.742
  752    HZ2  LYS  98           HZ2      LYS  98 -12.825 -15.159  15.648
  753    HZ3  LYS  98           HZ3      LYS  98 -11.592 -14.547  16.543
  754    H    ARG  99           H        ARG  99 -17.420 -12.295  13.014
  755    HA   ARG  99           HA       ARG  99 -18.900 -11.184  10.682
  756    HB2  ARG  99           HB2      ARG  99 -19.076 -13.838  11.674
  757    HB3  ARG  99           HB3      ARG  99 -20.465 -13.010  12.361
  758    HG2  ARG  99           HG2      ARG  99 -21.155 -13.987  10.309
  759    HG3  ARG  99           HG3      ARG  99 -21.054 -12.245   9.989
  760    HD2  ARG  99           HD2      ARG  99 -18.712 -14.100   9.479
  761    HD3  ARG  99           HD3      ARG  99 -20.016 -13.964   8.288
  762    HE   ARG  99           HE       ARG  99 -17.953 -11.994   8.875
  763   HH11  ARG  99          HH11      ARG  99 -21.165 -12.496   7.485
  764   HH12  ARG  99          HH12      ARG  99 -21.087 -11.060   6.491
  765   HH21  ARG  99          HH21      ARG  99 -17.874 -10.139   7.576
  766   HH22  ARG  99          HH22      ARG  99 -19.228  -9.725   6.548
  767    H    SER 100           H        SER 100 -21.172 -10.451  11.456
  768    HA   SER 100           HA       SER 100 -20.832  -8.597  13.649
  769    HB2  SER 100           HB2      SER 100 -22.219  -8.070  11.694
  770    HB3  SER 100           HB3      SER 100 -23.277  -9.453  12.057
  771    HG   SER 100           HG       SER 100 -24.072  -7.440  12.867
  772    H    ALA 101           H        ALA 101 -22.062  -8.613  15.650
  773    HA   ALA 101           HA       ALA 101 -21.989 -11.167  16.909
  774    HB1  ALA 101           HB1      ALA 101 -21.538  -9.024  18.052
  775    HB2  ALA 101           HB2      ALA 101 -23.236  -8.541  17.833
  776    HB3  ALA 101           HB3      ALA 101 -22.830  -9.929  18.873
  777    H    ALA 102           H        ALA 102 -24.304 -10.022  14.793
  778    HA   ALA 102           HA       ALA 102 -26.483 -11.601  16.080
  779    HB1  ALA 102           HB1      ALA 102 -27.970 -10.257  14.631
  780    HB2  ALA 102           HB2      ALA 102 -26.972  -9.219  15.687
  781    HB3  ALA 102           HB3      ALA 102 -26.547  -9.420  13.967
  782    H    GLU 103           H        GLU 103 -24.094 -11.746  13.709
  783    HA   GLU 103           HA       GLU 103 -25.699 -13.591  11.997
  784    HB2  GLU 103           HB2      GLU 103 -23.407 -11.762  11.202
  785    HB3  GLU 103           HB3      GLU 103 -24.278 -12.860  10.117
  786    HG2  GLU 103           HG2      GLU 103 -25.491 -10.505  11.619
  787    HG3  GLU 103           HG3      GLU 103 -25.059 -10.523   9.905
  788    H    MET 104           H        MET 104 -23.553 -13.723  14.406
  789    HA   MET 104           HA       MET 104 -21.376 -15.206  13.236
  790    HB2  MET 104           HB2      MET 104 -22.382 -15.138  16.114
  791    HB3  MET 104           HB3      MET 104 -20.851 -15.828  15.556
  792    HG2  MET 104           HG2      MET 104 -20.600 -13.384  14.465
  793    HG3  MET 104           HG3      MET 104 -21.693 -12.975  15.800
  794    HE1  MET 104           HE1      MET 104 -17.410 -14.663  16.076
  795    HE2  MET 104           HE2      MET 104 -18.790 -15.665  15.555
  796    HE3  MET 104           HE3      MET 104 -18.308 -14.251  14.595
  797    H    TYR 105           H        TYR 105 -24.594 -16.107  14.278
  798    HA   TYR 105           HA       TYR 105 -24.018 -18.928  13.524
  799    HB2  TYR 105           HB2      TYR 105 -25.467 -18.031  16.037
  800    HB3  TYR 105           HB3      TYR 105 -25.338 -19.696  15.469
  801    HD1  TYR 105           HD2      TYR 105 -23.527 -16.850  16.959
  802    HD2  TYR 105           HD1      TYR 105 -23.269 -20.954  15.710
  803    HE1  TYR 105           HE2      TYR 105 -21.400 -17.095  18.223
  804    HE2  TYR 105           HE1      TYR 105 -21.134 -21.207  16.957
  805    HH   TYR 105           HH       TYR 105 -19.577 -20.183  18.289
  806    H    GLY 106           H        GLY 106 -25.879 -16.190  13.116
  807    HA2  GLY 106           HA2      GLY 106 -28.523 -17.258  12.835
  808    HA3  GLY 106           HA3      GLY 106 -27.915 -15.747  12.127
  809    H5'    A   1           H5'        A   1   2.486 -13.178   8.110
  810   H5''    A   1          H5''        A   1   4.000 -12.784   7.265
  811    H4'    A   1           H4'        A   1   3.458 -12.196  10.216
  812    H3'    A   1           H3'        A   1   2.125 -10.840   8.312
  813    H2'    A   1           H2'        A   1   3.875 -10.623   6.757
  814   HO2'    A   1          HO2'        A   1   3.116  -8.487   7.279
  815    H1'    A   1           H1'        A   1   5.884  -9.699   8.724
  816    H8     A   1           H8         A   1   6.240  -9.408   5.763
  817    H61    A   1           H61        A   1   9.590 -14.422   4.295
  818    H62    A   1           H62        A   1   9.081 -12.833   3.754
  819    H2     A   1           H2         A   1   7.790 -15.168   8.199
  820    H5'    U   2           H5'        U   2   1.405  -7.401   9.206
  821   H5''    U   2          H5''        U   2   0.496  -7.207  10.714
  822    H4'    U   2           H4'        U   2  -0.875  -6.233   9.056
  823    H3'    U   2           H3'        U   2  -1.823  -8.396  10.513
  824    H2'    U   2           H2'        U   2  -1.428  -9.983   8.802
  825   HO2'    U   2          HO2'        U   2  -3.706  -9.995   9.289
  826    H1'    U   2           H1'        U   2  -2.443  -8.006   6.759
  827    H3     U   2           H3         U   2  -2.029 -11.371   3.725
  828    H5     U   2           H5         U   2   1.390 -11.813   6.138
  829    H6     U   2           H6         U   2   0.662  -9.888   7.419
  830    H5'    U   3           H5'        U   3  -6.165  -5.860  10.119
  831   H5''    U   3          H5''        U   3  -5.440  -5.853   8.491
  832    H4'    U   3           H4'        U   3  -5.551  -3.274   8.672
  833    H3'    U   3           H3'        U   3  -6.361  -3.821  11.275
  834    H2'    U   3           H2'        U   3  -8.401  -4.826  10.648
  835   HO2'    U   3          HO2'        U   3  -8.714  -2.444  11.628
  836    H1'    U   3           H1'        U   3  -8.757  -2.738   8.490
  837    H3     U   3           H3         U   3 -12.708  -4.550   7.241
  838    H5     U   3           H5         U   3 -10.556  -7.869   8.669
  839    H6     U   3           H6         U   3  -8.677  -6.387   9.089
  840    H5'    U   4           H5'        U   4  -8.321   0.922  11.122
  841   H5''    U   4          H5''        U   4  -7.367   0.672   9.649
  842    H4'    U   4           H4'        U   4  -5.984   2.724  10.312
  843    H3'    U   4           H3'        U   4  -7.129   2.518  12.806
  844    H2'    U   4           H2'        U   4  -9.374   2.701  12.006
  845   HO2'    U   4          HO2'        U   4  -9.021   4.320  13.623
  846    H1'    U   4           H1'        U   4  -8.453   5.019  10.290
  847    H3     U   4           H3         U   4 -12.536   5.842   8.665
  848    H5     U   4           H5         U   4 -12.655   1.699   9.342
  849    H6     U   4           H6         U   4 -10.385   1.825  10.182
  850    H5'    U   5           H5'        U   5  -4.117   3.319  10.455
  851   H5''    U   5          H5''        U   5  -2.714   3.395  11.529
  852    H4'    U   5           H4'        U   5  -1.899   3.999   9.402
  853    H3'    U   5           H3'        U   5  -1.665   5.814  11.437
  854    H2'    U   5           H2'        U   5  -3.594   7.090  10.907
  855   HO2'    U   5          HO2'        U   5  -1.394   8.293  10.383
  856    H1'    U   5           H1'        U   5  -2.915   6.943   7.973
  857    H3     U   5           H3         U   5  -6.766   8.883   6.739
  858    H5     U   5           H5         U   5  -7.801   7.003  10.359
  859    H6     U   5           H6         U   5  -5.529   6.154  10.487
  860    H5'    U   6           H5'        U   6   1.400   5.100   8.215
  861   H5''    U   6          H5''        U   6   2.843   5.348   9.199
  862    H4'    U   6           H4'        U   6   3.374   5.161   6.799
  863    H3'    U   6           H3'        U   6   4.517   6.968   8.513
  864    H2'    U   6           H2'        U   6   3.005   8.752   8.062
  865   HO2'    U   6          HO2'        U   6   4.132  10.148   6.540
  866    H1'    U   6           H1'        U   6   3.027   8.279   5.100
  867    H3     U   6           H3         U   6   0.634  12.120   5.688
  868    H5     U   6           H5         U   6  -1.787   9.018   7.176
  869    H6     U   6           H6         U   6   0.134   7.554   7.055
  870    H5'    C   7           H5'        C   7   4.472   4.218   8.493
  871   H5''    C   7          H5''        C   7   6.013   3.354   8.597
  872    H4'    C   7           H4'        C   7   3.698   2.461   6.806
  873    H3'    C   7           H3'        C   7   3.356   2.377   9.449
  874    H2'    C   7           H2'        C   7   5.535   1.758  10.066
  875   HO2'    C   7          HO2'        C   7   4.164   0.169  10.978
  876    H1'    C   7           H1'        C   7   5.852  -0.439   8.081
  877    H41    C   7           H41        C   7  11.801   2.255   8.317
  878    H42    C   7           H42        C   7  11.611   2.018  10.046
  879    H5     C   7           H5         C   7   9.512   1.261  11.057
  880    H6     C   7           H6         C   7   7.229   0.661  10.605
  Start of MODEL   14
    1    H1   ALA   2           H        ALA   2   2.185  10.667  -6.420
    2    H2   ALA   2           H2       ALA   2   1.222   9.539  -5.685
    3    HA   ALA   2           HA       ALA   2   0.592  12.386  -6.022
    4    HB1  ALA   2           HB1      ALA   2  -1.402  10.928  -6.123
    5    HB2  ALA   2           HB2      ALA   2  -0.952  10.212  -4.555
    6    HB3  ALA   2           HB3      ALA   2  -1.391  11.931  -4.662
    7    H    SER   3           H        SER   3   0.004  13.186  -3.610
    8    HA   SER   3           HA       SER   3   2.477  13.244  -2.194
    9    HB2  SER   3           HB2      SER   3  -0.306  14.045  -1.273
   10    HB3  SER   3           HB3      SER   3   1.231  14.577  -0.564
   11    HG   SER   3           HG       SER   3   0.379  16.087  -2.067
   12    H    ASN   4           H        ASN   4   2.354  12.918   0.340
   13    HA   ASN   4           HA       ASN   4   1.636  10.059   0.692
   14    HB2  ASN   4           HB2      ASN   4   4.079  10.885   0.757
   15    HB3  ASN   4           HB3      ASN   4   3.663  11.649   2.295
   16   HD21  ASN   4          HD21      ASN   4   4.960  10.355   3.620
   17   HD22  ASN   4          HD22      ASN   4   4.707   8.630   3.817
   18    H    VAL   5           H        VAL   5  -0.232  12.431   1.173
   19    HA   VAL   5           HA       VAL   5  -0.461  12.228   4.138
   20    HB   VAL   5           HB       VAL   5  -1.175  14.578   2.345
   21   HG11  VAL   5          HG11      VAL   5  -1.002  14.278   5.373
   22   HG12  VAL   5          HG12      VAL   5  -1.378  15.774   4.492
   23   HG13  VAL   5          HG13      VAL   5  -2.502  14.399   4.417
   24   HG21  VAL   5          HG21      VAL   5   1.243  14.272   2.386
   25   HG22  VAL   5          HG22      VAL   5   0.816  15.645   3.419
   26   HG23  VAL   5          HG23      VAL   5   1.218  14.076   4.161
   27    H    THR   6           H        THR   6  -2.275  11.443   4.918
   28    HA   THR   6           HA       THR   6  -4.772  11.649   3.396
   29    HB   THR   6           HB       THR   6  -5.205   9.239   3.427
   30    HG1  THR   6           HG1      THR   6  -3.918   8.677   5.211
   31   HG21  THR   6          HG21      THR   6  -3.989  10.169   1.439
   32   HG22  THR   6          HG22      THR   6  -2.449   9.696   2.229
   33   HG23  THR   6          HG23      THR   6  -3.632   8.463   1.766
   34    H    ASN   7           H        ASN   7  -3.522  12.375   6.242
   35    HA   ASN   7           HA       ASN   7  -5.654  10.988   7.782
   36    HB2  ASN   7           HB2      ASN   7  -4.304  10.881   9.689
   37    HB3  ASN   7           HB3      ASN   7  -3.341  10.292   8.342
   38   HD21  ASN   7          HD21      ASN   7  -1.684  10.740  10.126
   39   HD22  ASN   7          HD22      ASN   7  -0.955  12.333  10.151
   40    H    LYS   8           H        LYS   8  -5.661  13.778   6.415
   41    HA   LYS   8           HA       LYS   8  -5.952  15.702   8.523
   42    HB2  LYS   8           HB2      LYS   8  -6.966  15.462   5.685
   43    HB3  LYS   8           HB3      LYS   8  -7.601  16.721   6.741
   44    HG2  LYS   8           HG2      LYS   8  -5.798  17.572   5.376
   45    HG3  LYS   8           HG3      LYS   8  -5.387  17.667   7.085
   46    HD2  LYS   8           HD2      LYS   8  -4.488  15.310   5.411
   47    HD3  LYS   8           HD3      LYS   8  -3.623  16.846   5.321
   48    HE2  LYS   8           HE2      LYS   8  -4.101  15.317   7.911
   49    HE3  LYS   8           HE3      LYS   8  -2.617  15.240   6.960
   50    HZ1  LYS   8           HZ1      LYS   8  -2.345  17.597   7.282
   51    HZ2  LYS   8           HZ2      LYS   8  -3.725  17.685   8.175
   52    HZ3  LYS   8           HZ3      LYS   8  -2.438  16.836   8.731
   53    H    THR   9           H        THR   9  -8.069  16.699   9.181
   54    HA   THR   9           HA       THR   9 -10.153  14.603   9.516
   55    HB   THR   9           HB       THR   9 -10.461  15.368  11.857
   56    HG1  THR   9           HG1      THR   9  -8.774  16.620  12.742
   57   HG21  THR   9          HG21      THR   9  -9.077  13.380  11.297
   58   HG22  THR   9          HG22      THR   9  -7.633  14.409  11.240
   59   HG23  THR   9          HG23      THR   9  -8.522  14.207  12.767
   60    H    ASP  10           H        ASP  10  -9.848  17.021   7.714
   61    HA   ASP  10           HA       ASP  10 -11.698  19.009   8.618
   62    HB2  ASP  10           HB2      ASP  10 -10.706  18.203   5.857
   63    HB3  ASP  10           HB3      ASP  10 -11.685  19.639   6.173
   64    HA   PRO  11           HA       PRO  11 -15.563  17.161   8.107
   65    HB2  PRO  11           HB2      PRO  11 -17.157  19.188   7.142
   66    HB3  PRO  11           HB3      PRO  11 -16.482  19.162   8.805
   67    HG2  PRO  11           HG2      PRO  11 -15.356  20.561   6.353
   68    HG3  PRO  11           HG3      PRO  11 -15.640  21.257   7.990
   69    HD2  PRO  11           HD2      PRO  11 -13.198  20.366   7.265
   70    HD3  PRO  11           HD3      PRO  11 -13.827  20.028   8.908
   71    H    ARG  12           H        ARG  12 -13.871  18.169   5.286
   72    HA   ARG  12           HA       ARG  12 -15.778  16.563   3.639
   73    HB2  ARG  12           HB2      ARG  12 -15.227  17.855   1.729
   74    HB3  ARG  12           HB3      ARG  12 -15.621  18.970   3.040
   75    HG2  ARG  12           HG2      ARG  12 -13.744  19.981   2.157
   76    HG3  ARG  12           HG3      ARG  12 -13.006  19.004   3.433
   77    HD2  ARG  12           HD2      ARG  12 -12.536  17.227   1.697
   78    HD3  ARG  12           HD3      ARG  12 -13.236  18.295   0.472
   79    HE   ARG  12           HE       ARG  12 -11.250  19.795   1.749
   80   HH11  ARG  12          HH11      ARG  12 -11.433  16.788  -0.079
   81   HH12  ARG  12          HH12      ARG  12  -9.789  16.907  -0.678
   82   HH21  ARG  12          HH21      ARG  12  -9.120  19.946   0.943
   83   HH22  ARG  12          HH22      ARG  12  -8.487  18.699  -0.105
   84    H    SER  13           H        SER  13 -12.463  16.896   4.786
   85    HA   SER  13           HA       SER  13 -11.404  15.088   2.765
   86    HB2  SER  13           HB2      SER  13 -10.208  16.071   5.384
   87    HB3  SER  13           HB3      SER  13  -9.342  15.222   4.084
   88    HG   SER  13           HG       SER  13  -9.131  17.496   3.920
   89    H    MET  14           H        MET  14 -13.023  14.779   5.828
   90    HA   MET  14           HA       MET  14 -12.112  12.106   6.463
   91    HB2  MET  14           HB2      MET  14 -14.388  13.907   7.326
   92    HB3  MET  14           HB3      MET  14 -14.311  12.229   7.886
   93    HG2  MET  14           HG2      MET  14 -11.771  13.752   8.129
   94    HG3  MET  14           HG3      MET  14 -13.097  14.332   9.135
   95    HE1  MET  14           HE1      MET  14 -12.870  10.492   8.180
   96    HE2  MET  14           HE2      MET  14 -11.166  11.009   8.104
   97    HE3  MET  14           HE3      MET  14 -11.710   9.903   9.386
   98    H    ASN  15           H        ASN  15 -14.216  13.364   4.037
   99    HA   ASN  15           HA       ASN  15 -15.323  10.637   3.621
  100    HB2  ASN  15           HB2      ASN  15 -17.309  11.947   2.575
  101    HB3  ASN  15           HB3      ASN  15 -17.203  11.768   4.330
  102   HD21  ASN  15          HD21      ASN  15 -16.700  13.543   5.643
  103   HD22  ASN  15          HD22      ASN  15 -16.786  15.187   5.044
  104    H    SER  16           H        SER  16 -13.356  13.110   2.362
  105    HA   SER  16           HA       SER  16 -13.723  12.200  -0.422
  106    HB2  SER  16           HB2      SER  16 -11.724  14.153   0.785
  107    HB3  SER  16           HB3      SER  16 -11.968  13.833  -0.944
  108    HG   SER  16           HG       SER  16 -13.853  14.915   0.878
  109    H    ARG  17           H        ARG  17 -12.698  10.599   2.044
  110    HA   ARG  17           HA       ARG  17 -10.057   9.714   0.940
  111    HB2  ARG  17           HB2      ARG  17 -10.032  10.925   3.069
  112    HB3  ARG  17           HB3      ARG  17 -11.124   9.725   3.776
  113    HG2  ARG  17           HG2      ARG  17  -9.413   7.948   3.419
  114    HG3  ARG  17           HG3      ARG  17  -8.334   9.162   2.676
  115    HD2  ARG  17           HD2      ARG  17  -9.410   9.196   5.517
  116    HD3  ARG  17           HD3      ARG  17  -7.734   8.863   5.026
  117    HE   ARG  17           HE       ARG  17  -8.080  11.274   3.904
  118   HH11  ARG  17          HH11      ARG  17  -8.908  10.220   7.195
  119   HH12  ARG  17          HH12      ARG  17  -8.798  11.857   7.815
  120   HH21  ARG  17          HH21      ARG  17  -8.001  13.308   4.737
  121   HH22  ARG  17          HH22      ARG  17  -8.287  13.585   6.453
  122    H    VAL  18           H        VAL  18  -9.584   7.520   0.965
  123    HA   VAL  18           HA       VAL  18 -11.893   5.652   1.332
  124    HB   VAL  18           HB       VAL  18  -9.496   5.337  -0.505
  125   HG11  VAL  18          HG11      VAL  18 -10.452   3.226   0.251
  126   HG12  VAL  18          HG12      VAL  18 -12.085   3.773  -0.212
  127   HG13  VAL  18          HG13      VAL  18 -10.851   3.501  -1.458
  128   HG21  VAL  18          HG21      VAL  18 -12.361   6.136  -1.164
  129   HG22  VAL  18          HG22      VAL  18 -10.908   7.156  -1.357
  130   HG23  VAL  18          HG23      VAL  18 -11.098   5.692  -2.342
  131    H    PHE  19           H        PHE  19 -11.657   4.139   2.806
  132    HA   PHE  19           HA       PHE  19  -8.982   3.656   4.018
  133    HB2  PHE  19           HB2      PHE  19 -10.554   4.210   5.674
  134    HB3  PHE  19           HB3      PHE  19 -11.843   3.291   4.890
  135    HD1  PHE  19           HD2      PHE  19  -8.454   2.718   6.445
  136    HD2  PHE  19           HD1      PHE  19 -12.410   1.225   5.653
  137    HE1  PHE  19           HE2      PHE  19  -7.967   0.723   7.787
  138    HE2  PHE  19           HE1      PHE  19 -11.926  -0.791   7.016
  139    HZ   PHE  19           HZ       PHE  19  -9.703  -1.060   8.077
  140    H    ILE  20           H        ILE  20  -8.049   1.600   3.899
  141    HA   ILE  20           HA       ILE  20  -9.531  -0.462   2.342
  142    HB   ILE  20           HB       ILE  20  -6.649   0.396   1.883
  143   HG12  ILE  20          HG12      ILE  20  -9.008   0.785   0.001
  144   HG13  ILE  20          HG13      ILE  20  -8.420   2.052   1.085
  145   HG21  ILE  20          HG21      ILE  20  -8.447  -1.562   0.378
  146   HG22  ILE  20          HG22      ILE  20  -6.771  -1.156  -0.040
  147   HG23  ILE  20          HG23      ILE  20  -7.122  -2.015   1.471
  148   HD11  ILE  20          HD11      ILE  20  -6.767   0.696  -1.084
  149   HD12  ILE  20          HD12      ILE  20  -7.439   2.340  -1.132
  150   HD13  ILE  20          HD13      ILE  20  -6.177   1.933   0.049
  151    H    GLY  21           H        GLY  21  -9.824  -1.904   3.937
  152    HA2  GLY  21           HA2      GLY  21  -7.621  -2.501   5.844
  153    HA3  GLY  21           HA3      GLY  21  -9.326  -2.883   6.058
  154    H    ASN  22           H        ASN  22  -7.404  -4.766   6.550
  155    HA   ASN  22           HA       ASN  22  -6.816  -6.880   6.194
  156    HB2  ASN  22           HB2      ASN  22  -9.309  -7.061   6.181
  157    HB3  ASN  22           HB3      ASN  22  -9.251  -7.074   4.411
  158   HD21  ASN  22          HD21      ASN  22  -9.270  -9.084   3.524
  159   HD22  ASN  22          HD22      ASN  22  -8.698 -10.541   4.312
  160    H    LEU  23           H        LEU  23  -5.737  -4.847   4.310
  161    HA   LEU  23           HA       LEU  23  -5.741  -5.887   1.652
  162    HB2  LEU  23           HB2      LEU  23  -5.480  -3.514   2.288
  163    HB3  LEU  23           HB3      LEU  23  -3.920  -3.874   3.027
  164    HG   LEU  23           HG       LEU  23  -2.995  -4.498   0.820
  165   HD11  LEU  23          HD11      LEU  23  -5.735  -3.698  -0.252
  166   HD12  LEU  23          HD12      LEU  23  -4.297  -4.079  -1.230
  167   HD13  LEU  23          HD13      LEU  23  -5.064  -5.350  -0.268
  168   HD21  LEU  23          HD21      LEU  23  -4.491  -1.848   0.925
  169   HD22  LEU  23          HD22      LEU  23  -3.182  -2.213  -0.213
  170   HD23  LEU  23          HD23      LEU  23  -2.846  -2.178   1.533
  171    H    ASN  24           H        ASN  24  -4.124  -6.836   0.441
  172    HA   ASN  24           HA       ASN  24  -2.408  -8.750   1.744
  173    HB2  ASN  24           HB2      ASN  24  -1.837  -9.226  -0.686
  174    HB3  ASN  24           HB3      ASN  24  -3.561  -9.340  -0.285
  175   HD21  ASN  24          HD21      ASN  24  -1.108  -7.387  -1.916
  176   HD22  ASN  24          HD22      ASN  24  -2.239  -6.426  -2.860
  177    H    THR  25           H        THR  25  -1.380  -6.681   2.905
  178    HA   THR  25           HA       THR  25   0.253  -4.958   1.362
  179    HB   THR  25           HB       THR  25   1.044  -4.135   3.531
  180    HG1  THR  25           HG1      THR  25   1.265  -6.144   4.580
  181   HG21  THR  25          HG21      THR  25  -1.122  -3.535   4.461
  182   HG22  THR  25          HG22      THR  25  -1.286  -3.614   2.693
  183   HG23  THR  25          HG23      THR  25  -1.886  -4.948   3.712
  184    H    LEU  26           H        LEU  26   0.879  -8.190   1.700
  185    HA   LEU  26           HA       LEU  26   3.774  -7.875   2.119
  186    HB2  LEU  26           HB2      LEU  26   2.277 -10.340   1.164
  187    HB3  LEU  26           HB3      LEU  26   3.907 -10.246   1.833
  188    HG   LEU  26           HG       LEU  26   1.251 -10.037   3.250
  189   HD11  LEU  26          HD11      LEU  26   2.334 -12.230   2.926
  190   HD12  LEU  26          HD12      LEU  26   3.843 -11.603   3.633
  191   HD13  LEU  26          HD13      LEU  26   2.407 -11.786   4.650
  192   HD21  LEU  26          HD21      LEU  26   2.556  -8.121   4.102
  193   HD22  LEU  26          HD22      LEU  26   3.945  -9.197   4.396
  194   HD23  LEU  26          HD23      LEU  26   2.427  -9.401   5.314
  195    H    VAL  27           H        VAL  27   1.544  -7.634  -0.480
  196    HA   VAL  27           HA       VAL  27   3.748  -8.000  -2.470
  197    HB   VAL  27           HB       VAL  27   0.830  -8.804  -2.767
  198   HG11  VAL  27          HG11      VAL  27   3.250  -9.196  -4.579
  199   HG12  VAL  27          HG12      VAL  27   1.645  -9.919  -4.844
  200   HG13  VAL  27          HG13      VAL  27   1.836  -8.158  -4.909
  201   HG21  VAL  27          HG21      VAL  27   1.978 -10.357  -1.239
  202   HG22  VAL  27          HG22      VAL  27   1.730 -11.134  -2.815
  203   HG23  VAL  27          HG23      VAL  27   3.331 -10.506  -2.384
  204    H    VAL  28           H        VAL  28   1.047  -6.085  -1.269
  205    HA   VAL  28           HA       VAL  28   1.064  -4.431  -3.680
  206    HB   VAL  28           HB       VAL  28  -0.866  -4.997  -1.848
  207   HG11  VAL  28          HG11      VAL  28   0.325  -3.555  -0.140
  208   HG12  VAL  28          HG12      VAL  28   0.005  -2.158  -1.207
  209   HG13  VAL  28          HG13      VAL  28  -1.345  -3.071  -0.507
  210   HG21  VAL  28          HG21      VAL  28  -1.161  -4.072  -4.104
  211   HG22  VAL  28          HG22      VAL  28  -2.147  -3.203  -2.904
  212   HG23  VAL  28          HG23      VAL  28  -0.651  -2.468  -3.519
  213    H    LYS  29           H        LYS  29   1.622  -2.169  -3.643
  214    HA   LYS  29           HA       LYS  29   3.263  -1.208  -1.384
  215    HB2  LYS  29           HB2      LYS  29   4.756  -0.196  -3.344
  216    HB3  LYS  29           HB3      LYS  29   5.121  -1.748  -2.599
  217    HG2  LYS  29           HG2      LYS  29   3.293  -1.780  -4.983
  218    HG3  LYS  29           HG3      LYS  29   5.005  -1.428  -5.259
  219    HD2  LYS  29           HD2      LYS  29   5.728  -3.469  -4.245
  220    HD3  LYS  29           HD3      LYS  29   4.110  -3.829  -3.618
  221    HE2  LYS  29           HE2      LYS  29   3.228  -4.097  -5.846
  222    HE3  LYS  29           HE3      LYS  29   4.766  -3.572  -6.572
  223    HZ1  LYS  29           HZ1      LYS  29   4.345  -5.992  -4.947
  224    HZ2  LYS  29           HZ2      LYS  29   4.549  -5.956  -6.575
  225    HZ3  LYS  29           HZ3      LYS  29   5.791  -5.524  -5.586
  226    H    LYS  30           H        LYS  30   3.787   1.234  -1.846
  227    HA   LYS  30           HA       LYS  30   1.296   2.588  -2.046
  228    HB2  LYS  30           HB2      LYS  30   3.214   3.477  -0.827
  229    HB3  LYS  30           HB3      LYS  30   4.154   3.608  -2.333
  230    HG2  LYS  30           HG2      LYS  30   2.584   5.232  -3.244
  231    HG3  LYS  30           HG3      LYS  30   1.492   4.997  -1.861
  232    HD2  LYS  30           HD2      LYS  30   3.208   5.900  -0.344
  233    HD3  LYS  30           HD3      LYS  30   4.320   6.108  -1.732
  234    HE2  LYS  30           HE2      LYS  30   2.714   7.636  -2.799
  235    HE3  LYS  30           HE3      LYS  30   1.574   7.397  -1.460
  236    HZ1  LYS  30           HZ1      LYS  30   4.253   8.593  -1.212
  237    HZ2  LYS  30           HZ2      LYS  30   2.827   9.417  -1.215
  238    HZ3  LYS  30           HZ3      LYS  30   3.166   8.374   0.010
  239    H    SER  31           H        SER  31   3.684   1.706  -4.484
  240    HA   SER  31           HA       SER  31   2.636   3.515  -6.504
  241    HB2  SER  31           HB2      SER  31   4.247   2.332  -7.968
  242    HB3  SER  31           HB3      SER  31   4.994   2.935  -6.471
  243    HG   SER  31           HG       SER  31   5.583   0.771  -6.946
  244    H    ASP  32           H        ASP  32   1.576   0.533  -5.208
  245    HA   ASP  32           HA       ASP  32   0.205  -0.242  -7.720
  246    HB2  ASP  32           HB2      ASP  32   0.824  -1.550  -5.072
  247    HB3  ASP  32           HB3      ASP  32  -0.561  -2.112  -5.995
  248    H    VAL  33           H        VAL  33  -0.422   0.903  -4.355
  249    HA   VAL  33           HA       VAL  33  -3.278   0.680  -4.664
  250    HB   VAL  33           HB       VAL  33  -1.616   2.323  -2.715
  251   HG11  VAL  33          HG11      VAL  33  -4.558   1.523  -2.678
  252   HG12  VAL  33          HG12      VAL  33  -3.679   2.310  -1.341
  253   HG13  VAL  33          HG13      VAL  33  -3.922   3.175  -2.869
  254   HG21  VAL  33          HG21      VAL  33  -2.958  -0.412  -2.499
  255   HG22  VAL  33          HG22      VAL  33  -1.203  -0.111  -2.558
  256   HG23  VAL  33          HG23      VAL  33  -2.156   0.448  -1.166
  257    H    GLU  34           H        GLU  34  -0.906   3.267  -5.381
  258    HA   GLU  34           HA       GLU  34  -3.053   5.117  -6.061
  259    HB2  GLU  34           HB2      GLU  34  -1.381   6.677  -6.625
  260    HB3  GLU  34           HB3      GLU  34  -0.834   5.835  -5.161
  261    HG2  GLU  34           HG2      GLU  34   0.621   4.382  -6.580
  262    HG3  GLU  34           HG3      GLU  34   0.097   5.279  -8.011
  263    H    ALA  35           H        ALA  35  -2.164   2.343  -7.491
  264    HA   ALA  35           HA       ALA  35  -2.709   3.379 -10.237
  265    HB1  ALA  35           HB1      ALA  35  -1.496   1.392 -11.033
  266    HB2  ALA  35           HB2      ALA  35  -0.476   2.375  -9.953
  267    HB3  ALA  35           HB3      ALA  35  -1.221   0.877  -9.354
  268    H    ILE  36           H        ILE  36  -4.005   1.658  -7.599
  269    HA   ILE  36           HA       ILE  36  -5.838   0.053  -9.317
  270    HB   ILE  36           HB       ILE  36  -5.038  -0.072  -6.398
  271   HG12  ILE  36          HG12      ILE  36  -4.795  -2.211  -8.544
  272   HG13  ILE  36          HG13      ILE  36  -3.550  -0.981  -8.336
  273   HG21  ILE  36          HG21      ILE  36  -7.080  -1.757  -7.902
  274   HG22  ILE  36          HG22      ILE  36  -6.475  -2.102  -6.263
  275   HG23  ILE  36          HG23      ILE  36  -7.427  -0.639  -6.561
  276   HD11  ILE  36          HD11      ILE  36  -2.924  -2.949  -7.057
  277   HD12  ILE  36          HD12      ILE  36  -3.329  -1.630  -5.935
  278   HD13  ILE  36          HD13      ILE  36  -4.490  -2.953  -6.212
  279    H    PHE  37           H        PHE  37  -5.646   2.869  -7.250
  280    HA   PHE  37           HA       PHE  37  -8.627   3.062  -7.242
  281    HB2  PHE  37           HB2      PHE  37  -6.514   4.118  -5.346
  282    HB3  PHE  37           HB3      PHE  37  -8.190   4.656  -5.314
  283    HD1  PHE  37           HD2      PHE  37  -6.137   1.504  -5.165
  284    HD2  PHE  37           HD1      PHE  37  -9.757   3.538  -4.030
  285    HE1  PHE  37           HE2      PHE  37  -6.776  -0.427  -3.773
  286    HE2  PHE  37           HE1      PHE  37 -10.413   1.584  -2.647
  287    HZ   PHE  37           HZ       PHE  37  -8.905  -0.401  -2.501
  288    H    SER  38           H        SER  38  -5.846   4.319  -8.784
  289    HA   SER  38           HA       SER  38  -6.841   7.041  -9.016
  290    HB2  SER  38           HB2      SER  38  -4.457   6.519  -9.143
  291    HB3  SER  38           HB3      SER  38  -4.727   5.532 -10.594
  292    HG   SER  38           HG       SER  38  -5.226   8.316 -10.316
  293    H    LYS  39           H        LYS  39  -7.824   4.088 -10.380
  294    HA   LYS  39           HA       LYS  39  -8.698   5.182 -12.942
  295    HB2  LYS  39           HB2      LYS  39  -9.628   2.969 -13.319
  296    HB3  LYS  39           HB3      LYS  39  -7.973   2.826 -12.706
  297    HG2  LYS  39           HG2      LYS  39  -8.821   2.346 -10.439
  298    HG3  LYS  39           HG3      LYS  39 -10.485   2.612 -10.984
  299    HD2  LYS  39           HD2      LYS  39 -10.284   0.723 -12.571
  300    HD3  LYS  39           HD3      LYS  39  -8.633   0.413 -11.982
  301    HE2  LYS  39           HE2      LYS  39  -9.488   0.023  -9.712
  302    HE3  LYS  39           HE3      LYS  39 -11.121   0.471 -10.231
  303    HZ1  LYS  39           HZ1      LYS  39 -11.098  -1.433 -11.705
  304    HZ2  LYS  39           HZ2      LYS  39  -9.591  -1.849 -11.199
  305    HZ3  LYS  39           HZ3      LYS  39 -10.858  -1.883 -10.144
  306    H    TYR  40           H        TYR  40  -9.830   5.492  -9.800
  307    HA   TYR  40           HA       TYR  40 -12.644   5.846 -10.732
  308    HB2  TYR  40           HB2      TYR  40 -11.477   4.631  -8.244
  309    HB3  TYR  40           HB3      TYR  40 -13.023   5.465  -8.140
  310    HD1  TYR  40           HD1      TYR  40 -14.561   4.868 -10.402
  311    HD2  TYR  40           HD2      TYR  40 -11.774   2.298  -8.359
  312    HE1  TYR  40           HE1      TYR  40 -15.782   2.882 -11.244
  313    HE2  TYR  40           HE2      TYR  40 -13.002   0.309  -9.195
  314    HH   TYR  40           HH       TYR  40 -15.898   0.594 -11.278
  315    H    GLY  41           H        GLY  41  -9.894   7.553  -9.797
  316    HA2  GLY  41           HA2      GLY  41 -11.272   9.997  -9.725
  317    HA3  GLY  41           HA3      GLY  41 -11.068   9.483  -8.044
  318    H    LYS  42           H        LYS  42  -9.940  11.826  -8.857
  319    HA   LYS  42           HA       LYS  42  -7.120  11.438  -9.528
  320    HB2  LYS  42           HB2      LYS  42  -8.163  13.463 -10.304
  321    HB3  LYS  42           HB3      LYS  42  -8.835  13.809  -8.704
  322    HG2  LYS  42           HG2      LYS  42  -6.903  15.255  -9.173
  323    HG3  LYS  42           HG3      LYS  42  -6.607  14.200  -7.788
  324    HD2  LYS  42           HD2      LYS  42  -5.329  12.643  -9.326
  325    HD3  LYS  42           HD3      LYS  42  -5.532  13.849 -10.617
  326    HE2  LYS  42           HE2      LYS  42  -4.402  15.538  -9.186
  327    HE3  LYS  42           HE3      LYS  42  -4.234  14.334  -7.898
  328    HZ1  LYS  42           HZ1      LYS  42  -2.231  14.543  -9.198
  329    HZ2  LYS  42           HZ2      LYS  42  -2.862  13.033  -9.368
  330    HZ3  LYS  42           HZ3      LYS  42  -3.025  14.135 -10.574
  331    H    ILE  43           H        ILE  43  -5.789  10.556  -8.056
  332    HA   ILE  43           HA       ILE  43  -6.314  10.904  -5.190
  333    HB   ILE  43           HB       ILE  43  -4.107   9.455  -6.697
  334   HG12  ILE  43          HG12      ILE  43  -6.640   8.511  -5.285
  335   HG13  ILE  43          HG13      ILE  43  -6.330   8.471  -7.031
  336   HG21  ILE  43          HG21      ILE  43  -3.405  10.216  -4.424
  337   HG22  ILE  43          HG22      ILE  43  -4.840   9.411  -3.740
  338   HG23  ILE  43          HG23      ILE  43  -3.547   8.461  -4.513
  339   HD11  ILE  43          HD11      ILE  43  -6.056   6.244  -6.058
  340   HD12  ILE  43          HD12      ILE  43  -4.486   6.841  -6.650
  341   HD13  ILE  43          HD13      ILE  43  -4.858   6.839  -4.910
  342    H    VAL  44           H        VAL  44  -5.465  12.456  -3.971
  343    HA   VAL  44           HA       VAL  44  -3.145  14.009  -5.026
  344    HB   VAL  44           HB       VAL  44  -4.077  15.902  -3.639
  345   HG11  VAL  44          HG11      VAL  44  -5.852  14.880  -5.894
  346   HG12  VAL  44          HG12      VAL  44  -5.689  16.565  -5.358
  347   HG13  VAL  44          HG13      VAL  44  -4.307  15.737  -6.110
  348   HG21  VAL  44          HG21      VAL  44  -6.452  15.855  -3.057
  349   HG22  VAL  44          HG22      VAL  44  -6.596  14.194  -3.661
  350   HG23  VAL  44          HG23      VAL  44  -5.599  14.534  -2.218
  351    H    GLY  45           H        GLY  45  -3.841  11.646  -2.967
  352    HA2  GLY  45           HA2      GLY  45  -1.431  11.996  -1.443
  353    HA3  GLY  45           HA3      GLY  45  -2.859  12.288  -0.440
  354    H    CYS  46           H        CYS  46  -0.811   9.918  -0.689
  355    HA   CYS  46           HA       CYS  46  -2.841   7.891  -0.173
  356    HB2  CYS  46           HB2      CYS  46  -1.882   6.289  -1.838
  357    HB3  CYS  46           HB3      CYS  46  -2.750   7.652  -2.569
  358    HG   CYS  46           HG       CYS  46  -0.660   7.089  -4.016
  359    H    SER  47           H        SER  47  -2.019   6.079   0.937
  360    HA   SER  47           HA       SER  47   0.855   5.905   1.471
  361    HB2  SER  47           HB2      SER  47   0.054   7.656   3.063
  362    HB3  SER  47           HB3      SER  47  -1.114   6.488   3.718
  363    HG   SER  47           HG       SER  47   0.924   6.620   4.863
  364    H    VAL  48           H        VAL  48   1.388   3.961   2.708
  365    HA   VAL  48           HA       VAL  48  -0.774   1.936   2.848
  366    HB   VAL  48           HB       VAL  48   1.846   1.604   1.350
  367   HG11  VAL  48          HG11      VAL  48   0.959  -0.654   0.790
  368   HG12  VAL  48          HG12      VAL  48   1.262  -0.478   2.528
  369   HG13  VAL  48          HG13      VAL  48  -0.402  -0.394   1.902
  370   HG21  VAL  48          HG21      VAL  48  -1.048   1.601   0.414
  371   HG22  VAL  48          HG22      VAL  48   0.197   2.817   0.025
  372   HG23  VAL  48          HG23      VAL  48   0.351   1.159  -0.590
  373    H    HIS  49           H        HIS  49  -0.385   0.276   4.337
  374    HA   HIS  49           HA       HIS  49   1.998   0.526   6.073
  375    HB2  HIS  49           HB2      HIS  49  -0.838   0.449   7.142
  376    HB3  HIS  49           HB3      HIS  49   0.643   0.771   8.045
  377    HD2  HIS  49           HD3      HIS  49  -1.853   2.402   5.612
  378    HE1  HIS  49           HE1      HIS  49   0.568   5.556   7.121
  379    HE2  HIS  49           HE2      HIS  49  -1.480   5.004   5.727
  380    H    LYS  50           H        LYS  50   1.373  -1.334   7.994
  381    HA   LYS  50           HA       LYS  50   1.131  -3.829   6.473
  382    HB2  LYS  50           HB2      LYS  50   1.670  -3.085   9.354
  383    HB3  LYS  50           HB3      LYS  50   1.209  -4.739   8.941
  384    HG2  LYS  50           HG2      LYS  50   3.571  -3.298   7.671
  385    HG3  LYS  50           HG3      LYS  50   3.672  -4.392   9.063
  386    HD2  LYS  50           HD2      LYS  50   2.549  -6.172   7.646
  387    HD3  LYS  50           HD3      LYS  50   2.718  -5.092   6.249
  388    HE2  LYS  50           HE2      LYS  50   4.550  -6.668   6.258
  389    HE3  LYS  50           HE3      LYS  50   5.181  -5.046   6.595
  390    HZ1  LYS  50           HZ1      LYS  50   4.640  -7.163   8.566
  391    HZ2  LYS  50           HZ2      LYS  50   6.124  -6.673   8.065
  392    HZ3  LYS  50           HZ3      LYS  50   5.182  -5.652   8.943
  393    H    GLY  51           H        GLY  51  -0.642  -4.937   6.111
  394    HA2  GLY  51           HA2      GLY  51  -2.731  -5.829   6.334
  395    HA3  GLY  51           HA3      GLY  51  -2.804  -5.179   7.980
  396    H    PHE  52           H        PHE  52  -2.233  -2.389   6.395
  397    HA   PHE  52           HA       PHE  52  -4.949  -2.017   5.299
  398    HB2  PHE  52           HB2      PHE  52  -5.624  -0.349   6.756
  399    HB3  PHE  52           HB3      PHE  52  -5.140  -1.750   7.721
  400    HD1  PHE  52           HD2      PHE  52  -3.187  -1.668   9.174
  401    HD2  PHE  52           HD1      PHE  52  -4.401   1.729   6.840
  402    HE1  PHE  52           HE2      PHE  52  -1.692  -0.209  10.522
  403    HE2  PHE  52           HE1      PHE  52  -2.951   3.185   8.185
  404    HZ   PHE  52           HZ       PHE  52  -1.569   2.219  10.034
  405    H    ALA  53           H        ALA  53  -5.229   0.153   4.332
  406    HA   ALA  53           HA       ALA  53  -2.803   1.751   3.866
  407    HB1  ALA  53           HB1      ALA  53  -4.317   0.363   1.621
  408    HB2  ALA  53           HB2      ALA  53  -3.031   1.582   1.411
  409    HB3  ALA  53           HB3      ALA  53  -2.648   0.012   2.145
  410    H    PHE  54           H        PHE  54  -3.374   3.683   2.436
  411    HA   PHE  54           HA       PHE  54  -6.217   4.477   2.706
  412    HB2  PHE  54           HB2      PHE  54  -3.854   5.714   4.091
  413    HB3  PHE  54           HB3      PHE  54  -5.121   6.775   3.479
  414    HD1  PHE  54           HD2      PHE  54  -7.531   6.353   4.126
  415    HD2  PHE  54           HD1      PHE  54  -4.194   4.583   6.192
  416    HE1  PHE  54           HE2      PHE  54  -8.979   5.923   6.089
  417    HE2  PHE  54           HE1      PHE  54  -5.652   4.132   8.145
  418    HZ   PHE  54           HZ       PHE  54  -8.047   4.800   8.084
  419    H    VAL  55           H        VAL  55  -6.923   6.056   1.359
  420    HA   VAL  55           HA       VAL  55  -5.035   7.243  -0.599
  421    HB   VAL  55           HB       VAL  55  -7.609   5.754  -1.254
  422   HG11  VAL  55          HG11      VAL  55  -5.804   7.471  -3.001
  423   HG12  VAL  55          HG12      VAL  55  -7.098   6.407  -3.607
  424   HG13  VAL  55          HG13      VAL  55  -7.511   7.800  -2.596
  425   HG21  VAL  55          HG21      VAL  55  -5.633   4.293  -1.013
  426   HG22  VAL  55          HG22      VAL  55  -6.132   4.419  -2.710
  427   HG23  VAL  55          HG23      VAL  55  -4.721   5.333  -2.132
  428    H    GLN  56           H        GLN  56  -5.517   9.317  -1.104
  429    HA   GLN  56           HA       GLN  56  -7.963  10.503   0.123
  430    HB2  GLN  56           HB2      GLN  56  -5.882  11.073   1.325
  431    HB3  GLN  56           HB3      GLN  56  -5.171  11.661  -0.190
  432    HG2  GLN  56           HG2      GLN  56  -5.890  13.567   1.048
  433    HG3  GLN  56           HG3      GLN  56  -7.023  13.378  -0.297
  434   HE21  GLN  56          HE21      GLN  56  -9.194  12.890   0.135
  435   HE22  GLN  56          HE22      GLN  56  -9.847  12.818   1.763
  436    H    TYR  57           H        TYR  57  -9.336  11.099  -1.407
  437    HA   TYR  57           HA       TYR  57  -8.367  11.828  -4.110
  438    HB2  TYR  57           HB2      TYR  57 -11.123  11.313  -2.947
  439    HB3  TYR  57           HB3      TYR  57 -10.838  11.884  -4.581
  440    HD1  TYR  57           HD1      TYR  57  -8.666  10.339  -5.645
  441    HD2  TYR  57           HD2      TYR  57 -11.788   9.123  -2.964
  442    HE1  TYR  57           HE1      TYR  57  -8.582   8.046  -6.605
  443    HE2  TYR  57           HE2      TYR  57 -11.705   6.810  -3.928
  444    HH   TYR  57           HH       TYR  57  -9.499   5.957  -6.582
  445    H    VAL  58           H        VAL  58 -10.005  13.610  -5.068
  446    HA   VAL  58           HA       VAL  58  -9.293  16.041  -3.623
  447    HB   VAL  58           HB       VAL  58 -10.687  15.549  -6.284
  448   HG11  VAL  58          HG11      VAL  58  -9.626  18.128  -5.049
  449   HG12  VAL  58          HG12      VAL  58 -10.156  17.938  -6.739
  450   HG13  VAL  58          HG13      VAL  58 -11.327  17.761  -5.420
  451   HG21  VAL  58          HG21      VAL  58  -8.510  16.250  -7.219
  452   HG22  VAL  58          HG22      VAL  58  -7.866  16.430  -5.567
  453   HG23  VAL  58          HG23      VAL  58  -8.322  14.821  -6.183
  454    H    ASN  59           H        ASN  59 -12.140  14.008  -4.093
  455    HA   ASN  59           HA       ASN  59 -13.694  15.763  -2.324
  456    HB2  ASN  59           HB2      ASN  59 -15.585  15.929  -3.917
  457    HB3  ASN  59           HB3      ASN  59 -14.125  16.720  -4.531
  458   HD21  ASN  59          HD21      ASN  59 -13.773  16.349  -6.643
  459   HD22  ASN  59          HD22      ASN  59 -14.232  14.883  -7.502
  460    H    GLU  60           H        GLU  60 -15.975  14.814  -2.092
  461    HA   GLU  60           HA       GLU  60 -15.717  12.176  -0.971
  462    HB2  GLU  60           HB2      GLU  60 -17.102  13.743   0.128
  463    HB3  GLU  60           HB3      GLU  60 -17.926  14.204  -1.381
  464    HG2  GLU  60           HG2      GLU  60 -19.079  12.071  -1.477
  465    HG3  GLU  60           HG3      GLU  60 -18.142  11.458  -0.113
  466    H    ARG  61           H        ARG  61 -17.027  13.450  -3.992
  467    HA   ARG  61           HA       ARG  61 -18.624  11.210  -4.739
  468    HB2  ARG  61           HB2      ARG  61 -19.123  13.054  -5.965
  469    HB3  ARG  61           HB3      ARG  61 -17.495  13.699  -5.882
  470    HG2  ARG  61           HG2      ARG  61 -17.940  13.272  -8.173
  471    HG3  ARG  61           HG3      ARG  61 -16.743  12.103  -7.629
  472    HD2  ARG  61           HD2      ARG  61 -18.563  10.411  -7.354
  473    HD3  ARG  61           HD3      ARG  61 -19.738  11.604  -7.940
  474    HE   ARG  61           HE       ARG  61 -17.918  11.562  -9.967
  475   HH11  ARG  61          HH11      ARG  61 -19.617   8.974  -8.254
  476   HH12  ARG  61          HH12      ARG  61 -19.620   7.906  -9.641
  477   HH21  ARG  61          HH21      ARG  61 -17.949  10.151 -11.752
  478   HH22  ARG  61          HH22      ARG  61 -18.682   8.568 -11.608
  479    H    ASN  62           H        ASN  62 -15.176  12.000  -5.266
  480    HA   ASN  62           HA       ASN  62 -14.613   9.746  -6.962
  481    HB2  ASN  62           HB2      ASN  62 -12.990  11.652  -5.249
  482    HB3  ASN  62           HB3      ASN  62 -12.224  10.279  -6.064
  483   HD21  ASN  62          HD21      ASN  62 -14.841  12.516  -7.192
  484   HD22  ASN  62          HD22      ASN  62 -13.986  12.980  -8.655
  485    H    ALA  63           H        ALA  63 -14.652  10.242  -3.408
  486    HA   ALA  63           HA       ALA  63 -13.337   7.756  -2.819
  487    HB1  ALA  63           HB1      ALA  63 -15.221   9.438  -1.120
  488    HB2  ALA  63           HB2      ALA  63 -14.195   8.104  -0.543
  489    HB3  ALA  63           HB3      ALA  63 -13.449   9.587  -1.191
  490    H    ARG  64           H        ARG  64 -16.861   8.639  -3.065
  491    HA   ARG  64           HA       ARG  64 -17.730   6.018  -2.342
  492    HB2  ARG  64           HB2      ARG  64 -18.970   8.375  -3.794
  493    HB3  ARG  64           HB3      ARG  64 -19.772   6.798  -3.822
  494    HG2  ARG  64           HG2      ARG  64 -20.739   7.894  -2.002
  495    HG3  ARG  64           HG3      ARG  64 -19.586   6.741  -1.298
  496    HD2  ARG  64           HD2      ARG  64 -17.944   8.619  -1.068
  497    HD3  ARG  64           HD3      ARG  64 -19.187   9.737  -1.665
  498    HE   ARG  64           HE       ARG  64 -19.019   8.488   0.981
  499   HH11  ARG  64          HH11      ARG  64 -21.114  10.149  -1.334
  500   HH12  ARG  64          HH12      ARG  64 -22.292  10.598  -0.121
  501   HH21  ARG  64          HH21      ARG  64 -20.614   9.036   2.535
  502   HH22  ARG  64          HH22      ARG  64 -21.988   9.997   2.062
  503    H    ALA  65           H        ALA  65 -16.374   7.325  -5.321
  504    HA   ALA  65           HA       ALA  65 -17.534   5.396  -7.101
  505    HB1  ALA  65           HB1      ALA  65 -14.910   6.923  -7.338
  506    HB2  ALA  65           HB2      ALA  65 -15.824   6.179  -8.664
  507    HB3  ALA  65           HB3      ALA  65 -16.507   7.575  -7.793
  508    H    ALA  66           H        ALA  66 -14.493   5.485  -5.179
  509    HA   ALA  66           HA       ALA  66 -13.757   2.832  -6.229
  510    HB1  ALA  66           HB1      ALA  66 -12.406   4.612  -4.181
  511    HB2  ALA  66           HB2      ALA  66 -11.721   3.156  -4.945
  512    HB3  ALA  66           HB3      ALA  66 -12.080   4.603  -5.930
  513    H    VAL  67           H        VAL  67 -15.185   4.264  -3.322
  514    HA   VAL  67           HA       VAL  67 -14.879   1.950  -1.650
  515    HB   VAL  67           HB       VAL  67 -16.522   4.474  -1.587
  516   HG11  VAL  67          HG11      VAL  67 -16.894   2.073   0.236
  517   HG12  VAL  67          HG12      VAL  67 -17.416   3.737   0.636
  518   HG13  VAL  67          HG13      VAL  67 -18.130   2.885  -0.745
  519   HG21  VAL  67          HG21      VAL  67 -14.165   4.457  -0.873
  520   HG22  VAL  67          HG22      VAL  67 -15.257   4.759   0.500
  521   HG23  VAL  67          HG23      VAL  67 -14.526   3.156   0.293
  522    H    ALA  68           H        ALA  68 -17.104   2.768  -4.247
  523    HA   ALA  68           HA       ALA  68 -18.596   0.257  -3.643
  524    HB1  ALA  68           HB1      ALA  68 -19.371   2.599  -5.420
  525    HB2  ALA  68           HB2      ALA  68 -20.364   1.170  -5.064
  526    HB3  ALA  68           HB3      ALA  68 -19.963   2.317  -3.764
  527    H    GLY  69           H        GLY  69 -16.123   1.510  -5.633
  528    HA2  GLY  69           HA2      GLY  69 -16.811  -0.199  -7.945
  529    HA3  GLY  69           HA3      GLY  69 -15.520   1.008  -7.830
  530    H    GLU  70           H        GLU  70 -14.574  -0.163  -5.169
  531    HA   GLU  70           HA       GLU  70 -13.157  -2.535  -6.333
  532    HB2  GLU  70           HB2      GLU  70 -12.110  -0.266  -4.608
  533    HB3  GLU  70           HB3      GLU  70 -11.188  -1.725  -5.001
  534    HG2  GLU  70           HG2      GLU  70 -12.304   0.194  -7.085
  535    HG3  GLU  70           HG3      GLU  70 -10.668   0.281  -6.416
  536    H    ASP  71           H        ASP  71 -15.081  -1.371  -3.662
  537    HA   ASP  71           HA       ASP  71 -13.944  -2.914  -1.583
  538    HB2  ASP  71           HB2      ASP  71 -15.564  -1.213  -1.119
  539    HB3  ASP  71           HB3      ASP  71 -16.775  -2.006  -2.130
  540    H    GLY  72           H        GLY  72 -13.899  -5.021  -1.108
  541    HA2  GLY  72           HA2      GLY  72 -14.596  -7.219  -0.990
  542    HA3  GLY  72           HA3      GLY  72 -15.952  -6.855  -2.076
  543    H    ARG  73           H        ARG  73 -12.863  -5.775  -3.258
  544    HA   ARG  73           HA       ARG  73 -12.989  -7.913  -5.291
  545    HB2  ARG  73           HB2      ARG  73 -11.764  -6.587  -6.696
  546    HB3  ARG  73           HB3      ARG  73 -12.773  -5.417  -5.825
  547    HG2  ARG  73           HG2      ARG  73 -10.924  -4.650  -4.523
  548    HG3  ARG  73           HG3      ARG  73  -9.932  -6.064  -4.931
  549    HD2  ARG  73           HD2      ARG  73 -10.884  -4.108  -7.036
  550    HD3  ARG  73           HD3      ARG  73  -9.359  -3.903  -6.153
  551    HE   ARG  73           HE       ARG  73  -9.524  -6.556  -7.221
  552   HH11  ARG  73          HH11      ARG  73  -8.971  -3.205  -8.217
  553   HH12  ARG  73          HH12      ARG  73  -7.937  -3.655  -9.554
  554   HH21  ARG  73          HH21      ARG  73  -8.193  -7.113  -8.973
  555   HH22  ARG  73          HH22      ARG  73  -7.532  -5.870 -10.006
  556    H    MET  74           H        MET  74 -11.008  -9.005  -6.021
  557    HA   MET  74           HA       MET  74  -9.229  -9.591  -3.729
  558    HB2  MET  74           HB2      MET  74 -10.255 -11.532  -4.663
  559    HB3  MET  74           HB3      MET  74  -9.776 -11.081  -6.318
  560    HG2  MET  74           HG2      MET  74  -7.506 -11.514  -5.924
  561    HG3  MET  74           HG3      MET  74  -7.682 -11.390  -4.167
  562    HE1  MET  74           HE1      MET  74  -9.979 -13.139  -3.265
  563    HE2  MET  74           HE2      MET  74  -9.067 -14.637  -2.939
  564    HE3  MET  74           HE3      MET  74  -8.344 -13.045  -2.589
  565    H    ILE  75           H        ILE  75  -7.113  -9.214  -3.718
  566    HA   ILE  75           HA       ILE  75  -5.698  -8.401  -6.179
  567    HB   ILE  75           HB       ILE  75  -5.578  -6.843  -3.569
  568   HG12  ILE  75          HG12      ILE  75  -6.858  -6.033  -6.216
  569   HG13  ILE  75          HG13      ILE  75  -7.731  -6.462  -4.734
  570   HG21  ILE  75          HG21      ILE  75  -4.328  -6.273  -6.288
  571   HG22  ILE  75          HG22      ILE  75  -4.168  -5.280  -4.821
  572   HG23  ILE  75          HG23      ILE  75  -3.467  -6.905  -4.865
  573   HD11  ILE  75          HD11      ILE  75  -7.667  -4.073  -4.889
  574   HD12  ILE  75          HD12      ILE  75  -6.605  -4.564  -3.556
  575   HD13  ILE  75          HD13      ILE  75  -5.905  -4.068  -5.118
  576    H    ALA  76           H        ALA  76  -3.661  -9.240  -6.221
  577    HA   ALA  76           HA       ALA  76  -1.996 -10.670  -5.740
  578    HB1  ALA  76           HB1      ALA  76  -0.679 -10.137  -3.799
  579    HB2  ALA  76           HB2      ALA  76  -1.376  -8.623  -4.439
  580    HB3  ALA  76           HB3      ALA  76  -2.076  -9.394  -2.997
  581    H    GLY  77           H        GLY  77  -4.912 -11.517  -4.697
  582    HA2  GLY  77           HA2      GLY  77  -5.308 -13.874  -4.437
  583    HA3  GLY  77           HA3      GLY  77  -3.852 -14.001  -3.448
  584    H    GLN  78           H        GLN  78  -5.379 -11.178  -2.400
  585    HA   GLN  78           HA       GLN  78  -7.214 -12.645  -0.562
  586    HB2  GLN  78           HB2      GLN  78  -5.321 -10.396   0.213
  587    HB3  GLN  78           HB3      GLN  78  -6.587 -11.093   1.232
  588    HG2  GLN  78           HG2      GLN  78  -5.018 -12.452   2.037
  589    HG3  GLN  78           HG3      GLN  78  -5.178 -13.349   0.524
  590   HE21  GLN  78          HE21      GLN  78  -3.699 -12.636  -1.300
  591   HE22  GLN  78          HE22      GLN  78  -2.096 -12.071  -0.875
  592    H    VAL  79           H        VAL  79  -8.918 -11.321   0.319
  593    HA   VAL  79           HA       VAL  79  -9.710  -9.144  -1.547
  594    HB   VAL  79           HB       VAL  79 -11.317 -10.721   0.492
  595   HG11  VAL  79          HG11      VAL  79 -12.238  -8.445   0.297
  596   HG12  VAL  79          HG12      VAL  79 -12.199  -8.555  -1.474
  597   HG13  VAL  79          HG13      VAL  79 -13.289  -9.599  -0.539
  598   HG21  VAL  79          HG21      VAL  79 -10.704 -11.999  -1.529
  599   HG22  VAL  79          HG22      VAL  79 -12.440 -11.618  -1.538
  600   HG23  VAL  79          HG23      VAL  79 -11.328 -10.685  -2.559
  601    H    LEU  80           H        LEU  80 -10.262  -7.138  -0.844
  602    HA   LEU  80           HA       LEU  80  -9.387  -6.427   1.913
  603    HB2  LEU  80           HB2      LEU  80  -9.124  -4.081   0.617
  604    HB3  LEU  80           HB3      LEU  80  -7.815  -5.196   0.932
  605    HG   LEU  80           HG       LEU  80  -7.739  -4.295  -1.314
  606   HD11  LEU  80          HD11      LEU  80  -8.343  -7.251  -1.594
  607   HD12  LEU  80          HD12      LEU  80  -7.196  -6.250  -2.473
  608   HD13  LEU  80          HD13      LEU  80  -6.900  -6.619  -0.761
  609   HD21  LEU  80          HD21      LEU  80 -10.329  -5.779  -1.874
  610   HD22  LEU  80          HD22      LEU  80  -9.341  -4.843  -3.019
  611   HD23  LEU  80          HD23      LEU  80 -10.171  -4.023  -1.676
  612    H    ASP  81           H        ASP  81 -10.489  -4.903   3.030
  613    HA   ASP  81           HA       ASP  81 -13.331  -4.624   2.218
  614    HB2  ASP  81           HB2      ASP  81 -12.805  -5.768   4.357
  615    HB3  ASP  81           HB3      ASP  81 -11.886  -4.360   4.889
  616    H    ILE  82           H        ILE  82 -13.752  -2.720   1.189
  617    HA   ILE  82           HA       ILE  82 -12.180  -0.332   2.019
  618    HB   ILE  82           HB       ILE  82 -13.512  -1.016  -0.610
  619   HG12  ILE  82          HG12      ILE  82 -10.532  -0.757  -0.070
  620   HG13  ILE  82          HG13      ILE  82 -11.381  -2.312   0.026
  621   HG21  ILE  82          HG21      ILE  82 -11.726   1.340   0.130
  622   HG22  ILE  82          HG22      ILE  82 -12.412   1.014  -1.476
  623   HG23  ILE  82          HG23      ILE  82 -13.488   1.416  -0.133
  624   HD11  ILE  82          HD11      ILE  82 -12.165  -2.089  -2.272
  625   HD12  ILE  82          HD12      ILE  82 -11.349  -0.519  -2.434
  626   HD13  ILE  82          HD13      ILE  82 -10.392  -2.000  -2.209
  627    H    ASN  83           H        ASN  83 -13.241   1.470   2.646
  628    HA   ASN  83           HA       ASN  83 -16.022   1.961   2.001
  629    HB2  ASN  83           HB2      ASN  83 -16.825   2.054   4.332
  630    HB3  ASN  83           HB3      ASN  83 -16.408   0.413   3.832
  631   HD21  ASN  83          HD21      ASN  83 -15.293   3.228   5.750
  632   HD22  ASN  83          HD22      ASN  83 -14.239   2.309   6.789
  633    H    LEU  84           H        LEU  84 -16.718   4.111   3.115
  634    HA   LEU  84           HA       LEU  84 -14.668   6.012   2.575
  635    HB2  LEU  84           HB2      LEU  84 -17.454   6.083   3.065
  636    HB3  LEU  84           HB3      LEU  84 -16.717   6.999   4.396
  637    HG   LEU  84           HG       LEU  84 -15.346   8.217   2.563
  638   HD11  LEU  84          HD11      LEU  84 -17.482   6.905   0.842
  639   HD12  LEU  84          HD12      LEU  84 -16.460   8.287   0.355
  640   HD13  LEU  84          HD13      LEU  84 -15.711   6.724   0.707
  641   HD21  LEU  84          HD21      LEU  84 -17.243   9.747   2.102
  642   HD22  LEU  84          HD22      LEU  84 -17.195   9.240   3.809
  643   HD23  LEU  84          HD23      LEU  84 -18.374   8.509   2.691
  644    H    ALA  85           H        ALA  85 -13.496   7.386   4.062
  645    HA   ALA  85           HA       ALA  85 -12.412   5.842   6.199
  646    HB1  ALA  85           HB1      ALA  85 -12.065   8.781   5.536
  647    HB2  ALA  85           HB2      ALA  85 -10.970   7.794   6.542
  648    HB3  ALA  85           HB3      ALA  85 -11.146   7.436   4.807
  649    H    ALA  86           H        ALA  86 -15.264   7.615   6.171
  650    HA   ALA  86           HA       ALA  86 -15.176   7.876   9.134
  651    HB1  ALA  86           HB1      ALA  86 -16.570   9.887   8.924
  652    HB2  ALA  86           HB2      ALA  86 -15.019  10.081   8.078
  653    HB3  ALA  86           HB3      ALA  86 -16.502   9.763   7.149
  654    H    GLU  87           H        GLU  87 -16.297   5.909   6.868
  655    HA   GLU  87           HA       GLU  87 -18.897   5.555   8.234
  656    HB2  GLU  87           HB2      GLU  87 -18.561   5.574   5.208
  657    HB3  GLU  87           HB3      GLU  87 -20.033   5.149   6.100
  658    HG2  GLU  87           HG2      GLU  87 -19.911   7.466   7.169
  659    HG3  GLU  87           HG3      GLU  87 -18.671   7.858   5.973
  660    HA   PRO  88           HA       PRO  88 -16.606   1.519   7.631
  661    HB2  PRO  88           HB2      PRO  88 -16.090   0.936  10.249
  662    HB3  PRO  88           HB3      PRO  88 -14.997   1.937   9.253
  663    HG2  PRO  88           HG2      PRO  88 -17.131   2.881  11.191
  664    HG3  PRO  88           HG3      PRO  88 -15.425   3.436  11.063
  665    HD2  PRO  88           HD2      PRO  88 -17.476   4.801   9.906
  666    HD3  PRO  88           HD3      PRO  88 -15.864   4.679   9.130
  667    H    LYS  89           H        LYS  89 -17.670  -0.448   7.923
  668    HA   LYS  89           HA       LYS  89 -20.237  -0.404   9.430
  669    HB2  LYS  89           HB2      LYS  89 -19.838  -1.331   6.559
  670    HB3  LYS  89           HB3      LYS  89 -21.327  -1.527   7.504
  671    HG2  LYS  89           HG2      LYS  89 -21.521   0.929   7.725
  672    HG3  LYS  89           HG3      LYS  89 -20.032   1.135   6.775
  673    HD2  LYS  89           HD2      LYS  89 -21.076  -0.030   4.864
  674    HD3  LYS  89           HD3      LYS  89 -22.576  -0.229   5.801
  675    HE2  LYS  89           HE2      LYS  89 -22.777   2.229   5.998
  676    HE3  LYS  89           HE3      LYS  89 -21.278   2.431   5.075
  677    HZ1  LYS  89           HZ1      LYS  89 -23.231   2.671   3.691
  678    HZ2  LYS  89           HZ2      LYS  89 -22.365   1.360   3.214
  679    HZ3  LYS  89           HZ3      LYS  89 -23.747   1.160   4.078
  680    H    VAL  90           H        VAL  90 -17.306  -1.797   9.132
  681    HA   VAL  90           HA       VAL  90 -18.308  -4.543   9.742
  682    HB   VAL  90           HB       VAL  90 -15.670  -3.696   8.494
  683   HG11  VAL  90          HG11      VAL  90 -15.370  -5.731   9.819
  684   HG12  VAL  90          HG12      VAL  90 -16.840  -6.444   9.111
  685   HG13  VAL  90          HG13      VAL  90 -15.408  -6.156   8.098
  686   HG21  VAL  90          HG21      VAL  90 -17.553  -3.465   6.924
  687   HG22  VAL  90          HG22      VAL  90 -16.569  -4.877   6.494
  688   HG23  VAL  90          HG23      VAL  90 -18.115  -5.107   7.333
  689    H    ASN  91           H        ASN  91 -17.132  -5.733  11.335
  690    HA   ASN  91           HA       ASN  91 -16.763  -4.114  13.679
  691    HB2  ASN  91           HB2      ASN  91 -16.124  -7.061  13.454
  692    HB3  ASN  91           HB3      ASN  91 -16.759  -6.167  14.846
  693   HD21  ASN  91          HD21      ASN  91 -17.483  -7.642  11.726
  694   HD22  ASN  91          HD22      ASN  91 -19.224  -7.653  11.898
  695    H    ARG  92           H        ARG  92 -14.644  -4.432  11.266
  696    HA   ARG  92           HA       ARG  92 -12.413  -4.638  10.981
  697    HB2  ARG  92           HB2      ARG  92 -12.509  -3.080  13.592
  698    HB3  ARG  92           HB3      ARG  92 -11.028  -3.330  12.650
  699    HG2  ARG  92           HG2      ARG  92 -12.255  -2.386  10.639
  700    HG3  ARG  92           HG3      ARG  92 -13.571  -1.924  11.737
  701    HD2  ARG  92           HD2      ARG  92 -10.671  -0.963  11.830
  702    HD3  ARG  92           HD3      ARG  92 -12.066  -0.012  11.348
  703    HE   ARG  92           HE       ARG  92 -12.844   0.004  13.635
  704   HH11  ARG  92          HH11      ARG  92  -9.642  -1.444  13.199
  705   HH12  ARG  92          HH12      ARG  92  -9.196  -1.231  14.877
  706   HH21  ARG  92          HH21      ARG  92 -12.229   0.269  15.803
  707   HH22  ARG  92          HH22      ARG  92 -10.658  -0.268  16.345
  708    H    GLY  93           H        GLY  93 -13.192  -6.997  11.503
  709    HA2  GLY  93           HA2      GLY  93 -12.161  -8.217  13.885
  710    HA3  GLY  93           HA3      GLY  93 -12.803  -9.047  12.451
  711    H    LYS  94           H        LYS  94 -10.277  -6.825  11.757
  712    HA   LYS  94           HA       LYS  94  -8.179  -7.042  10.995
  713    HB2  LYS  94           HB2      LYS  94  -7.932  -8.982  13.290
  714    HB3  LYS  94           HB3      LYS  94  -6.593  -8.170  12.434
  715    HG2  LYS  94           HG2      LYS  94  -7.611  -5.955  13.055
  716    HG3  LYS  94           HG3      LYS  94  -8.836  -6.808  14.002
  717    HD2  LYS  94           HD2      LYS  94  -5.835  -6.946  14.509
  718    HD3  LYS  94           HD3      LYS  94  -6.988  -5.943  15.407
  719    HE2  LYS  94           HE2      LYS  94  -8.242  -8.013  16.044
  720    HE3  LYS  94           HE3      LYS  94  -6.989  -8.979  15.242
  721    HZ1  LYS  94           HZ1      LYS  94  -6.573  -7.153  17.520
  722    HZ2  LYS  94           HZ2      LYS  94  -6.561  -8.793  17.578
  723    HZ3  LYS  94           HZ3      LYS  94  -5.383  -7.994  16.756
  724    H    ALA  95           H        ALA  95  -7.866 -10.377  11.986
  725    HA   ALA  95           HA       ALA  95  -8.397 -11.421   9.296
  726    HB1  ALA  95           HB1      ALA  95  -6.037 -12.054   8.880
  727    HB2  ALA  95           HB2      ALA  95  -6.211 -10.287   8.997
  728    HB3  ALA  95           HB3      ALA  95  -5.558 -11.208  10.373
  729    H    GLY  96           H        GLY  96  -7.746 -11.824  12.664
  730    HA2  GLY  96           HA2      GLY  96  -8.182 -13.706  13.970
  731    HA3  GLY  96           HA3      GLY  96  -8.307 -14.699  12.500
  732    H    VAL  97           H        VAL  97  -5.574 -13.055  11.897
  733    HA   VAL  97           HA       VAL  97  -3.802 -15.189  12.796
  734    HB   VAL  97           HB       VAL  97  -3.211 -12.498  11.491
  735   HG11  VAL  97          HG11      VAL  97  -1.520 -15.019  11.764
  736   HG12  VAL  97          HG12      VAL  97  -1.083 -13.579  10.814
  737   HG13  VAL  97          HG13      VAL  97  -1.219 -13.471  12.579
  738   HG21  VAL  97          HG21      VAL  97  -3.030 -13.822   9.402
  739   HG22  VAL  97          HG22      VAL  97  -3.536 -15.278  10.287
  740   HG23  VAL  97          HG23      VAL  97  -4.665 -13.919  10.077
  741    H    LYS  98           H        LYS  98  -4.719 -11.938  13.775
  742    HA   LYS  98           HA       LYS  98  -2.757 -11.886  15.980
  743    HB2  LYS  98           HB2      LYS  98  -4.904  -9.939  15.069
  744    HB3  LYS  98           HB3      LYS  98  -3.760  -9.633  16.387
  745    HG2  LYS  98           HG2      LYS  98  -3.031 -10.085  13.459
  746    HG3  LYS  98           HG3      LYS  98  -3.073  -8.527  14.297
  747    HD2  LYS  98           HD2      LYS  98  -1.322  -9.370  15.879
  748    HD3  LYS  98           HD3      LYS  98  -1.215 -10.862  14.909
  749    HE2  LYS  98           HE2      LYS  98  -0.654  -9.514  12.913
  750    HE3  LYS  98           HE3      LYS  98  -0.741  -8.037  13.886
  751    HZ1  LYS  98           HZ1      LYS  98   1.065  -8.890  15.219
  752    HZ2  LYS  98           HZ2      LYS  98   1.140 -10.264  14.311
  753    HZ3  LYS  98           HZ3      LYS  98   1.507  -8.816  13.638
  754    H    ARG  99           H        ARG  99  -3.594 -11.396  18.200
  755    HA   ARG  99           HA       ARG  99  -5.661 -13.328  18.873
  756    HB2  ARG  99           HB2      ARG  99  -3.450 -12.126  20.180
  757    HB3  ARG  99           HB3      ARG  99  -4.880 -11.551  21.044
  758    HG2  ARG  99           HG2      ARG  99  -4.306 -13.516  22.154
  759    HG3  ARG  99           HG3      ARG  99  -5.642 -14.026  21.111
  760    HD2  ARG  99           HD2      ARG  99  -2.675 -14.324  20.470
  761    HD3  ARG  99           HD3      ARG  99  -3.682 -15.599  21.170
  762    HE   ARG  99           HE       ARG  99  -5.019 -15.599  19.094
  763   HH11  ARG  99          HH11      ARG  99  -1.799 -14.124  18.965
  764   HH12  ARG  99          HH12      ARG  99  -1.657 -14.329  17.232
  765   HH21  ARG  99          HH21      ARG  99  -4.785 -15.844  16.836
  766   HH22  ARG  99          HH22      ARG  99  -3.329 -15.282  16.045
  767    H    SER 100           H        SER 100  -7.439 -12.740  20.426
  768    HA   SER 100           HA       SER 100  -9.140 -10.776  19.183
  769    HB2  SER 100           HB2      SER 100 -10.003 -12.830  20.216
  770    HB3  SER 100           HB3      SER 100  -9.404 -12.300  21.804
  771    HG   SER 100           HG       SER 100 -11.629 -11.817  21.451
  772    H    ALA 101           H        ALA 101 -10.136  -8.910  20.340
  773    HA   ALA 101           HA       ALA 101  -8.062  -7.280  21.475
  774    HB1  ALA 101           HB1      ALA 101 -11.073  -6.836  21.286
  775    HB2  ALA 101           HB2      ALA 101  -9.862  -5.584  21.655
  776    HB3  ALA 101           HB3      ALA 101  -9.867  -6.374  20.064
  777    H    ALA 102           H        ALA 102 -10.097  -9.632  22.863
  778    HA   ALA 102           HA       ALA 102  -9.945  -8.440  25.573
  779    HB1  ALA 102           HB1      ALA 102 -11.312 -10.941  24.515
  780    HB2  ALA 102           HB2      ALA 102 -11.460 -10.299  26.168
  781    HB3  ALA 102           HB3      ALA 102 -12.097  -9.366  24.797
  782    H    GLU 103           H        GLU 103  -8.106 -10.362  23.527
  783    HA   GLU 103           HA       GLU 103  -6.672 -11.631  25.807
  784    HB2  GLU 103           HB2      GLU 103  -7.237 -12.839  23.067
  785    HB3  GLU 103           HB3      GLU 103  -6.230 -13.568  24.333
  786    HG2  GLU 103           HG2      GLU 103  -8.194 -13.609  25.854
  787    HG3  GLU 103           HG3      GLU 103  -9.203 -12.945  24.559
  788    H    MET 104           H        MET 104  -6.435  -9.097  24.067
  789    HA   MET 104           HA       MET 104  -4.340  -9.447  22.196
  790    HB2  MET 104           HB2      MET 104  -6.011  -7.572  22.346
  791    HB3  MET 104           HB3      MET 104  -5.140  -6.961  23.756
  792    HG2  MET 104           HG2      MET 104  -4.473  -5.687  21.874
  793    HG3  MET 104           HG3      MET 104  -3.099  -6.697  22.297
  794    HE1  MET 104           HE1      MET 104  -2.878  -9.260  20.900
  795    HE2  MET 104           HE2      MET 104  -2.424  -8.795  19.248
  796    HE3  MET 104           HE3      MET 104  -1.778  -7.883  20.635
  797    H    TYR 105           H        TYR 105  -4.298  -9.134  25.683
  798    HA   TYR 105           HA       TYR 105  -1.325  -9.222  25.617
  799    HB2  TYR 105           HB2      TYR 105  -2.963  -7.455  27.463
  800    HB3  TYR 105           HB3      TYR 105  -1.205  -7.588  27.412
  801    HD1  TYR 105           HD1      TYR 105  -0.003  -6.855  25.258
  802    HD2  TYR 105           HD2      TYR 105  -4.113  -5.937  26.102
  803    HE1  TYR 105           HE1      TYR 105   0.066  -5.036  23.567
  804    HE2  TYR 105           HE2      TYR 105  -4.056  -4.098  24.427
  805    HH   TYR 105           HH       TYR 105  -1.110  -3.348  22.532
  806    H    GLY 106           H        GLY 106  -4.291 -10.408  26.814
  807    HA2  GLY 106           HA2      GLY 106  -4.768 -12.151  28.229
  808    HA3  GLY 106           HA3      GLY 106  -3.025 -12.452  28.384
  809    H5'    A   1           H5'        A   1   2.000 -13.048   8.676
  810   H5''    A   1          H5''        A   1   3.426 -12.906   7.634
  811    H4'    A   1           H4'        A   1   3.290 -11.899  10.517
  812    H3'    A   1           H3'        A   1   1.832 -10.699   8.608
  813    H2'    A   1           H2'        A   1   3.373 -10.773   6.842
  814   HO2'    A   1          HO2'        A   1   2.895  -8.537   7.186
  815    H1'    A   1           H1'        A   1   5.735  -9.882   8.378
  816    H8     A   1           H8         A   1   5.642 -10.064   5.386
  817    H61    A   1           H61        A   1   8.224 -15.593   4.314
  818    H62    A   1           H62        A   1   7.773 -14.060   3.592
  819    H2     A   1           H2         A   1   7.028 -15.527   8.509
  820    H5'    U   2           H5'        U   2   1.215  -7.081   9.356
  821   H5''    U   2          H5''        U   2   0.449  -6.844  10.940
  822    H4'    U   2           H4'        U   2  -1.143  -6.039   9.406
  823    H3'    U   2           H3'        U   2  -1.839  -8.213  10.987
  824    H2'    U   2           H2'        U   2  -1.331  -9.804   9.254
  825   HO2'    U   2          HO2'        U   2  -3.377 -10.522   8.493
  826    H1'    U   2           H1'        U   2  -2.808  -7.937   7.375
  827    H3     U   2           H3         U   2  -2.566 -11.059   4.098
  828    H5     U   2           H5         U   2   1.094 -11.501   6.119
  829    H6     U   2           H6         U   2   0.448  -9.670   7.571
  830    H5'    U   3           H5'        U   3  -6.266  -5.972  10.154
  831   H5''    U   3          H5''        U   3  -5.426  -5.861   8.588
  832    H4'    U   3           H4'        U   3  -5.737  -3.344   8.734
  833    H3'    U   3           H3'        U   3  -6.518  -3.990  11.357
  834    H2'    U   3           H2'        U   3  -8.582  -4.873  10.752
  835   HO2'    U   3          HO2'        U   3  -9.118  -2.080  10.803
  836    H1'    U   3           H1'        U   3  -8.938  -2.843   8.564
  837    H3     U   3           H3         U   3 -12.912  -4.694   7.463
  838    H5     U   3           H5         U   3 -10.586  -7.997   8.656
  839    H6     U   3           H6         U   3  -8.765  -6.473   9.095
  840    H5'    U   4           H5'        U   4  -5.376   0.918  11.365
  841   H5''    U   4          H5''        U   4  -7.115   0.676  11.641
  842    H4'    U   4           H4'        U   4  -5.723   3.024  10.303
  843    H3'    U   4           H3'        U   4  -6.894   2.548  12.870
  844    H2'    U   4           H2'        U   4  -9.094   2.655  12.084
  845   HO2'    U   4          HO2'        U   4  -9.874   4.773  12.451
  846    H1'    U   4           H1'        U   4  -8.106   4.739  10.110
  847    H3     U   4           H3         U   4 -12.202   5.653   8.511
  848    H5     U   4           H5         U   4 -12.422   1.535   9.318
  849    H6     U   4           H6         U   4 -10.171   1.653  10.235
  850    H5'    U   5           H5'        U   5  -3.819   3.529  10.593
  851   H5''    U   5          H5''        U   5  -2.446   3.681  11.704
  852    H4'    U   5           H4'        U   5  -1.610   4.379   9.618
  853    H3'    U   5           H3'        U   5  -1.600   6.178  11.701
  854    H2'    U   5           H2'        U   5  -3.546   7.357  11.064
  855   HO2'    U   5          HO2'        U   5  -1.419   8.683  10.703
  856    H1'    U   5           H1'        U   5  -2.749   7.235   8.163
  857    H3     U   5           H3         U   5  -6.630   9.000   6.800
  858    H5     U   5           H5         U   5  -7.725   7.008  10.343
  859    H6     U   5           H6         U   5  -5.416   6.278  10.564
  860    H5'    U   6           H5'        U   6   1.737   5.609   8.733
  861   H5''    U   6          H5''        U   6   3.132   5.991   9.751
  862    H4'    U   6           H4'        U   6   3.702   5.843   7.337
  863    H3'    U   6           H3'        U   6   4.687   7.696   9.118
  864    H2'    U   6           H2'        U   6   3.088   9.378   8.628
  865   HO2'    U   6          HO2'        U   6   4.178  10.864   7.164
  866    H1'    U   6           H1'        U   6   3.287   8.860   5.659
  867    H3     U   6           H3         U   6   0.784  12.715   5.990
  868    H5     U   6           H5         U   6  -1.651   9.581   7.396
  869    H6     U   6           H6         U   6   0.301   8.165   7.427
  870    H5'    C   7           H5'        C   7   7.571   9.137   7.925
  871   H5''    C   7          H5''        C   7   9.044   8.147   7.855
  872    H4'    C   7           H4'        C   7   7.831   9.216  10.443
  873    H3'    C   7           H3'        C   7  10.027  10.348   8.671
  874    H2'    C   7           H2'        C   7  10.995  11.225  10.656
  875   HO2'    C   7          HO2'        C   7   9.073  12.103  11.552
  876    H1'    C   7           H1'        C   7  10.122   9.057  12.265
  877    H41    C   7           H41        C   7  16.274   8.096   9.915
  878    H42    C   7           H42        C   7  16.455   8.329  11.646
  879    H5     C   7           H5         C   7  14.583   8.850  13.119
  880    H6     C   7           H6         C   7  12.190   9.221  13.207
  Start of MODEL   15
    1    H1   ALA   2           H        ALA   2   2.025  12.439  -6.662
    2    H2   ALA   2           H2       ALA   2   1.625  10.905  -6.188
    3    HA   ALA   2           HA       ALA   2  -0.006  13.312  -5.789
    4    HB1  ALA   2           HB1      ALA   2  -0.489  10.447  -4.870
    5    HB2  ALA   2           HB2      ALA   2  -1.495  11.862  -4.481
    6    HB3  ALA   2           HB3      ALA   2  -1.374  11.297  -6.159
    7    H    SER   3           H        SER   3  -0.438  13.549  -3.318
    8    HA   SER   3           HA       SER   3   2.145  13.931  -2.095
    9    HB2  SER   3           HB2      SER   3   0.190  15.483  -1.916
   10    HB3  SER   3           HB3      SER   3  -0.615  14.277  -0.883
   11    HG   SER   3           HG       SER   3   0.591  15.895   0.269
   12    H    ASN   4           H        ASN   4   2.289  13.381   0.368
   13    HA   ASN   4           HA       ASN   4   1.753  10.475   0.679
   14    HB2  ASN   4           HB2      ASN   4   3.834  10.346   1.938
   15    HB3  ASN   4           HB3      ASN   4   4.130  10.995   0.323
   16   HD21  ASN   4          HD21      ASN   4   6.126  11.424   1.998
   17   HD22  ASN   4          HD22      ASN   4   6.139  13.070   2.607
   18    H    VAL   5           H        VAL   5  -0.055  12.683   1.458
   19    HA   VAL   5           HA       VAL   5  -0.312  11.813   4.268
   20    HB   VAL   5           HB       VAL   5   0.855  14.009   4.273
   21   HG11  VAL   5          HG11      VAL   5  -1.755  15.086   3.128
   22   HG12  VAL   5          HG12      VAL   5  -0.353  16.034   3.659
   23   HG13  VAL   5          HG13      VAL   5  -0.214  14.978   2.240
   24   HG21  VAL   5          HG21      VAL   5  -0.558  13.250   6.142
   25   HG22  VAL   5          HG22      VAL   5  -0.595  15.015   5.959
   26   HG23  VAL   5          HG23      VAL   5  -1.969  14.040   5.398
   27    H    THR   6           H        THR   6  -2.344  11.503   4.934
   28    HA   THR   6           HA       THR   6  -4.629  12.397   3.279
   29    HB   THR   6           HB       THR   6  -5.548  10.231   3.023
   30    HG1  THR   6           HG1      THR   6  -3.589   9.376   4.851
   31   HG21  THR   6          HG21      THR   6  -3.678  10.620   1.446
   32   HG22  THR   6          HG22      THR   6  -2.569   9.784   2.582
   33   HG23  THR   6          HG23      THR   6  -3.915   8.908   1.818
   34    H    ASN   7           H        ASN   7  -3.188  11.986   6.336
   35    HA   ASN   7           HA       ASN   7  -5.497  11.026   7.743
   36    HB2  ASN   7           HB2      ASN   7  -4.125  11.224   9.740
   37    HB3  ASN   7           HB3      ASN   7  -3.310  10.359   8.438
   38   HD21  ASN   7          HD21      ASN   7  -1.560  11.025  10.159
   39   HD22  ASN   7          HD22      ASN   7  -0.693  12.504   9.785
   40    H    LYS   8           H        LYS   8  -5.750  13.669   6.288
   41    HA   LYS   8           HA       LYS   8  -6.059  15.754   8.267
   42    HB2  LYS   8           HB2      LYS   8  -7.015  15.292   5.433
   43    HB3  LYS   8           HB3      LYS   8  -7.642  16.637   6.381
   44    HG2  LYS   8           HG2      LYS   8  -5.780  17.285   4.910
   45    HG3  LYS   8           HG3      LYS   8  -5.473  17.644   6.602
   46    HD2  LYS   8           HD2      LYS   8  -4.429  15.081   5.362
   47    HD3  LYS   8           HD3      LYS   8  -3.579  16.605   5.103
   48    HE2  LYS   8           HE2      LYS   8  -4.202  15.443   7.846
   49    HE3  LYS   8           HE3      LYS   8  -2.654  15.325   7.007
   50    HZ1  LYS   8           HZ1      LYS   8  -2.506  17.716   7.035
   51    HZ2  LYS   8           HZ2      LYS   8  -3.954  17.840   7.798
   52    HZ3  LYS   8           HZ3      LYS   8  -2.679  17.136   8.561
   53    H    THR   9           H        THR   9  -8.121  16.670   8.956
   54    HA   THR   9           HA       THR   9 -10.186  14.565   9.328
   55    HB   THR   9           HB       THR   9 -10.425  15.325  11.700
   56    HG1  THR   9           HG1      THR   9  -9.381  17.308  11.544
   57   HG21  THR   9          HG21      THR   9  -9.146  13.289  11.057
   58   HG22  THR   9          HG22      THR   9  -7.671  14.270  10.938
   59   HG23  THR   9          HG23      THR   9  -8.488  14.077  12.508
   60    H    ASP  10           H        ASP  10  -9.977  17.023   7.568
   61    HA   ASP  10           HA       ASP  10 -11.851  18.943   8.579
   62    HB2  ASP  10           HB2      ASP  10 -10.941  18.238   5.768
   63    HB3  ASP  10           HB3      ASP  10 -11.905  19.664   6.179
   64    HA   PRO  11           HA       PRO  11 -15.690  16.999   8.089
   65    HB2  PRO  11           HB2      PRO  11 -17.333  19.021   7.202
   66    HB3  PRO  11           HB3      PRO  11 -16.648  18.944   8.863
   67    HG2  PRO  11           HG2      PRO  11 -15.583  20.476   6.467
   68    HG3  PRO  11           HG3      PRO  11 -15.860  21.088   8.131
   69    HD2  PRO  11           HD2      PRO  11 -13.408  20.285   7.339
   70    HD3  PRO  11           HD3      PRO  11 -14.005  19.869   8.975
   71    H    ARG  12           H        ARG  12 -13.977  17.913   5.358
   72    HA   ARG  12           HA       ARG  12 -15.898  16.427   3.622
   73    HB2  ARG  12           HB2      ARG  12 -15.484  17.880   1.768
   74    HB3  ARG  12           HB3      ARG  12 -16.029  18.829   3.155
   75    HG2  ARG  12           HG2      ARG  12 -14.315  20.136   2.333
   76    HG3  ARG  12           HG3      ARG  12 -13.472  19.219   3.594
   77    HD2  ARG  12           HD2      ARG  12 -12.608  17.661   1.853
   78    HD3  ARG  12           HD3      ARG  12 -13.528  18.536   0.618
   79    HE   ARG  12           HE       ARG  12 -11.739  20.260   2.123
   80   HH11  ARG  12          HH11      ARG  12 -11.922  17.971  -0.571
   81   HH12  ARG  12          HH12      ARG  12 -10.528  18.640  -1.384
   82   HH21  ARG  12          HH21      ARG  12  -9.913  21.106   1.036
   83   HH22  ARG  12          HH22      ARG  12  -9.399  20.406  -0.480
   84    H    SER  13           H        SER  13 -12.710  16.734   4.855
   85    HA   SER  13           HA       SER  13 -11.510  15.163   2.675
   86    HB2  SER  13           HB2      SER  13 -10.375  16.132   5.321
   87    HB3  SER  13           HB3      SER  13  -9.460  15.333   4.021
   88    HG   SER  13           HG       SER  13  -9.334  17.612   3.891
   89    H    MET  14           H        MET  14 -13.062  14.704   5.760
   90    HA   MET  14           HA       MET  14 -12.032  12.055   6.301
   91    HB2  MET  14           HB2      MET  14 -14.360  13.750   7.270
   92    HB3  MET  14           HB3      MET  14 -14.131  12.106   7.854
   93    HG2  MET  14           HG2      MET  14 -12.028  14.295   7.982
   94    HG3  MET  14           HG3      MET  14 -13.123  13.896   9.307
   95    HE1  MET  14           HE1      MET  14 -12.788  10.548   8.191
   96    HE2  MET  14           HE2      MET  14 -11.876   9.997   9.616
   97    HE3  MET  14           HE3      MET  14 -13.293  11.074   9.816
   98    H    ASN  15           H        ASN  15 -14.349  13.301   4.087
   99    HA   ASN  15           HA       ASN  15 -15.431  10.556   3.680
  100    HB2  ASN  15           HB2      ASN  15 -17.477  11.803   2.724
  101    HB3  ASN  15           HB3      ASN  15 -17.272  11.722   4.477
  102   HD21  ASN  15          HD21      ASN  15 -16.884  13.566   5.675
  103   HD22  ASN  15          HD22      ASN  15 -16.950  15.174   4.990
  104    H    SER  16           H        SER  16 -13.385  12.857   2.377
  105    HA   SER  16           HA       SER  16 -13.930  11.930  -0.389
  106    HB2  SER  16           HB2      SER  16 -12.460  13.694  -1.117
  107    HB3  SER  16           HB3      SER  16 -13.618  14.395   0.043
  108    HG   SER  16           HG       SER  16 -11.434  15.004   0.426
  109    H    ARG  17           H        ARG  17 -12.665  10.515   2.088
  110    HA   ARG  17           HA       ARG  17 -10.131   9.678   0.755
  111    HB2  ARG  17           HB2      ARG  17  -9.879  11.112   2.771
  112    HB3  ARG  17           HB3      ARG  17 -10.702   9.861   3.727
  113    HG2  ARG  17           HG2      ARG  17  -8.918   8.252   3.214
  114    HG3  ARG  17           HG3      ARG  17  -8.172   9.412   2.082
  115    HD2  ARG  17           HD2      ARG  17  -6.971   9.487   4.177
  116    HD3  ARG  17           HD3      ARG  17  -7.855  11.013   3.925
  117    HE   ARG  17           HE       ARG  17  -8.742   8.793   5.716
  118   HH11  ARG  17          HH11      ARG  17  -8.617  12.239   4.911
  119   HH12  ARG  17          HH12      ARG  17  -9.254  12.739   6.465
  120   HH21  ARG  17          HH21      ARG  17  -9.561   9.496   7.732
  121   HH22  ARG  17          HH22      ARG  17  -9.880  11.197   8.002
  122    H    VAL  18           H        VAL  18  -9.494   7.489   1.060
  123    HA   VAL  18           HA       VAL  18 -11.799   5.650   1.521
  124    HB   VAL  18           HB       VAL  18  -9.390   5.290  -0.301
  125   HG11  VAL  18          HG11      VAL  18 -11.979   3.729   0.001
  126   HG12  VAL  18          HG12      VAL  18 -10.727   3.444  -1.237
  127   HG13  VAL  18          HG13      VAL  18 -10.357   3.184   0.481
  128   HG21  VAL  18          HG21      VAL  18 -10.775   7.088  -1.208
  129   HG22  VAL  18          HG22      VAL  18 -11.000   5.606  -2.158
  130   HG23  VAL  18          HG23      VAL  18 -12.245   6.099  -0.988
  131    H    PHE  19           H        PHE  19 -11.567   4.101   3.003
  132    HA   PHE  19           HA       PHE  19  -8.879   3.544   4.154
  133    HB2  PHE  19           HB2      PHE  19 -10.556   4.081   5.806
  134    HB3  PHE  19           HB3      PHE  19 -11.712   2.988   5.057
  135    HD1  PHE  19           HD2      PHE  19  -8.098   2.521   6.073
  136    HD2  PHE  19           HD1      PHE  19 -12.186   1.251   6.492
  137    HE1  PHE  19           HE2      PHE  19  -7.374   0.680   7.562
  138    HE2  PHE  19           HE1      PHE  19 -11.459  -0.595   7.979
  139    HZ   PHE  19           HZ       PHE  19  -9.055  -0.890   8.512
  140    H    ILE  20           H        ILE  20  -7.927   1.566   3.791
  141    HA   ILE  20           HA       ILE  20  -9.503  -0.473   2.275
  142    HB   ILE  20           HB       ILE  20  -6.600   0.333   1.808
  143   HG12  ILE  20          HG12      ILE  20  -8.933   0.797  -0.083
  144   HG13  ILE  20          HG13      ILE  20  -8.342   2.027   1.040
  145   HG21  ILE  20          HG21      ILE  20  -7.094  -2.054   1.393
  146   HG22  ILE  20          HG22      ILE  20  -8.443  -1.607   0.336
  147   HG23  ILE  20          HG23      ILE  20  -6.776  -1.206  -0.134
  148   HD11  ILE  20          HD11      ILE  20  -7.326   2.335  -1.168
  149   HD12  ILE  20          HD12      ILE  20  -6.093   1.923   0.039
  150   HD13  ILE  20          HD13      ILE  20  -6.648   0.692  -1.113
  151    H    GLY  21           H        GLY  21  -9.728  -2.091   3.723
  152    HA2  GLY  21           HA2      GLY  21  -7.423  -2.705   5.533
  153    HA3  GLY  21           HA3      GLY  21  -9.117  -2.942   5.947
  154    H    ASN  22           H        ASN  22  -7.340  -4.971   6.286
  155    HA   ASN  22           HA       ASN  22  -6.958  -7.127   5.927
  156    HB2  ASN  22           HB2      ASN  22  -9.478  -7.103   5.924
  157    HB3  ASN  22           HB3      ASN  22  -9.418  -7.160   4.153
  158   HD21  ASN  22          HD21      ASN  22  -8.928  -9.133   3.129
  159   HD22  ASN  22          HD22      ASN  22  -8.710 -10.628   4.000
  160    H    LEU  23           H        LEU  23  -6.390  -4.931   3.641
  161    HA   LEU  23           HA       LEU  23  -5.915  -6.453   1.267
  162    HB2  LEU  23           HB2      LEU  23  -6.076  -4.031   1.211
  163    HB3  LEU  23           HB3      LEU  23  -4.770  -3.868   2.389
  164    HG   LEU  23           HG       LEU  23  -3.148  -4.753   0.764
  165   HD11  LEU  23          HD11      LEU  23  -4.684  -6.190  -0.589
  166   HD12  LEU  23          HD12      LEU  23  -5.497  -4.731  -1.192
  167   HD13  LEU  23          HD13      LEU  23  -3.792  -5.037  -1.602
  168   HD21  LEU  23          HD21      LEU  23  -3.580  -2.335   0.908
  169   HD22  LEU  23          HD22      LEU  23  -4.875  -2.483  -0.305
  170   HD23  LEU  23          HD23      LEU  23  -3.194  -2.809  -0.760
  171    H    ASN  24           H        ASN  24  -4.120  -7.599   0.579
  172    HA   ASN  24           HA       ASN  24  -2.174  -8.439   2.569
  173    HB2  ASN  24           HB2      ASN  24  -2.719 -10.051   1.058
  174    HB3  ASN  24           HB3      ASN  24  -2.574  -8.949  -0.348
  175   HD21  ASN  24          HD21      ASN  24  -0.793  -9.069  -1.484
  176   HD22  ASN  24          HD22      ASN  24   0.746  -9.735  -0.950
  177    H    THR  25           H        THR  25  -0.219  -7.530   2.982
  178    HA   THR  25           HA       THR  25   0.614  -5.304   1.206
  179    HB   THR  25           HB       THR  25   1.277  -4.050   3.210
  180    HG1  THR  25           HG1      THR  25   1.671  -5.834   4.565
  181   HG21  THR  25          HG21      THR  25  -0.993  -3.551   4.010
  182   HG22  THR  25          HG22      THR  25  -1.072  -3.911   2.270
  183   HG23  THR  25          HG23      THR  25  -1.570  -5.130   3.470
  184    H    LEU  26           H        LEU  26   1.432  -8.289   1.650
  185    HA   LEU  26           HA       LEU  26   4.326  -7.800   2.074
  186    HB2  LEU  26           HB2      LEU  26   2.999 -10.431   1.360
  187    HB3  LEU  26           HB3      LEU  26   4.592 -10.155   2.053
  188    HG   LEU  26           HG       LEU  26   1.885  -9.990   3.380
  189   HD11  LEU  26          HD11      LEU  26   3.061 -11.565   4.946
  190   HD12  LEU  26          HD12      LEU  26   3.043 -12.149   3.263
  191   HD13  LEU  26          HD13      LEU  26   4.517 -11.421   3.950
  192   HD21  LEU  26          HD21      LEU  26   4.497  -8.981   4.579
  193   HD22  LEU  26          HD22      LEU  26   2.939  -9.182   5.429
  194   HD23  LEU  26          HD23      LEU  26   3.097  -7.966   4.156
  195    H    VAL  27           H        VAL  27   2.053  -7.723  -0.435
  196    HA   VAL  27           HA       VAL  27   4.204  -8.080  -2.476
  197    HB   VAL  27           HB       VAL  27   1.338  -9.042  -2.802
  198   HG11  VAL  27          HG11      VAL  27   2.470  -8.500  -4.907
  199   HG12  VAL  27          HG12      VAL  27   3.870  -9.496  -4.430
  200   HG13  VAL  27          HG13      VAL  27   2.289 -10.254  -4.735
  201   HG21  VAL  27          HG21      VAL  27   2.435 -10.449  -1.099
  202   HG22  VAL  27          HG22      VAL  27   2.269 -11.336  -2.618
  203   HG23  VAL  27          HG23      VAL  27   3.846 -10.655  -2.167
  204    H    VAL  28           H        VAL  28   1.394  -6.317  -1.296
  205    HA   VAL  28           HA       VAL  28   1.279  -4.690  -3.724
  206    HB   VAL  28           HB       VAL  28  -0.608  -5.324  -1.926
  207   HG11  VAL  28          HG11      VAL  28   0.241  -2.527  -1.083
  208   HG12  VAL  28          HG12      VAL  28  -1.072  -3.517  -0.403
  209   HG13  VAL  28          HG13      VAL  28   0.620  -3.984  -0.136
  210   HG21  VAL  28          HG21      VAL  28  -0.967  -4.197  -4.094
  211   HG22  VAL  28          HG22      VAL  28  -1.952  -3.495  -2.801
  212   HG23  VAL  28          HG23      VAL  28  -0.490  -2.644  -3.350
  213    H    LYS  29           H        LYS  29   1.780  -2.367  -3.686
  214    HA   LYS  29           HA       LYS  29   3.611  -1.510  -1.530
  215    HB2  LYS  29           HB2      LYS  29   5.017  -0.508  -3.559
  216    HB3  LYS  29           HB3      LYS  29   5.346  -2.097  -2.873
  217    HG2  LYS  29           HG2      LYS  29   3.360  -2.025  -5.112
  218    HG3  LYS  29           HG3      LYS  29   5.041  -1.653  -5.524
  219    HD2  LYS  29           HD2      LYS  29   5.848  -3.724  -4.658
  220    HD3  LYS  29           HD3      LYS  29   4.298  -4.096  -3.868
  221    HE2  LYS  29           HE2      LYS  29   3.188  -4.351  -5.970
  222    HE3  LYS  29           HE3      LYS  29   4.620  -3.780  -6.869
  223    HZ1  LYS  29           HZ1      LYS  29   4.432  -6.241  -5.266
  224    HZ2  LYS  29           HZ2      LYS  29   4.469  -6.165  -6.910
  225    HZ3  LYS  29           HZ3      LYS  29   5.792  -5.720  -6.038
  226    H    LYS  30           H        LYS  30   4.256   0.863  -1.946
  227    HA   LYS  30           HA       LYS  30   1.945   2.489  -1.921
  228    HB2  LYS  30           HB2      LYS  30   4.068   3.176  -0.914
  229    HB3  LYS  30           HB3      LYS  30   4.876   3.097  -2.486
  230    HG2  LYS  30           HG2      LYS  30   4.423   5.415  -1.879
  231    HG3  LYS  30           HG3      LYS  30   3.506   4.966  -3.317
  232    HD2  LYS  30           HD2      LYS  30   1.482   4.597  -1.881
  233    HD3  LYS  30           HD3      LYS  30   2.414   5.121  -0.467
  234    HE2  LYS  30           HE2      LYS  30   1.935   6.787  -2.979
  235    HE3  LYS  30           HE3      LYS  30   1.003   6.928  -1.482
  236    HZ1  LYS  30           HZ1      LYS  30   3.901   7.407  -1.734
  237    HZ2  LYS  30           HZ2      LYS  30   2.742   8.562  -1.586
  238    HZ3  LYS  30           HZ3      LYS  30   3.028   7.528  -0.344
  239    H    SER  31           H        SER  31   3.941   1.382  -4.632
  240    HA   SER  31           HA       SER  31   2.801   3.346  -6.469
  241    HB2  SER  31           HB2      SER  31   4.581   0.932  -6.957
  242    HB3  SER  31           HB3      SER  31   4.215   2.221  -8.130
  243    HG   SER  31           HG       SER  31   6.191   2.565  -7.022
  244    H    ASP  32           H        ASP  32   1.681   0.422  -5.144
  245    HA   ASP  32           HA       ASP  32   0.188  -0.334  -7.590
  246    HB2  ASP  32           HB2      ASP  32   0.850  -1.610  -4.946
  247    HB3  ASP  32           HB3      ASP  32  -0.600  -2.128  -5.796
  248    H    VAL  33           H        VAL  33  -0.354   0.879  -4.226
  249    HA   VAL  33           HA       VAL  33  -3.214   0.720  -4.450
  250    HB   VAL  33           HB       VAL  33  -1.499   2.506  -2.673
  251   HG11  VAL  33          HG11      VAL  33  -4.398   1.593  -2.427
  252   HG12  VAL  33          HG12      VAL  33  -3.494   2.529  -1.215
  253   HG13  VAL  33          HG13      VAL  33  -3.847   3.247  -2.793
  254   HG21  VAL  33          HG21      VAL  33  -0.966   0.112  -2.369
  255   HG22  VAL  33          HG22      VAL  33  -1.877   0.737  -0.981
  256   HG23  VAL  33          HG23      VAL  33  -2.700  -0.257  -2.206
  257    H    GLU  34           H        GLU  34  -0.805   3.188  -5.347
  258    HA   GLU  34           HA       GLU  34  -2.868   5.124  -6.039
  259    HB2  GLU  34           HB2      GLU  34  -1.031   6.520  -6.784
  260    HB3  GLU  34           HB3      GLU  34  -0.678   5.845  -5.183
  261    HG2  GLU  34           HG2      GLU  34   0.758   4.124  -6.210
  262    HG3  GLU  34           HG3      GLU  34   0.369   4.741  -7.823
  263    H    ALA  35           H        ALA  35  -2.027   2.266  -7.454
  264    HA   ALA  35           HA       ALA  35  -2.569   3.302 -10.198
  265    HB1  ALA  35           HB1      ALA  35  -1.118   0.777  -9.301
  266    HB2  ALA  35           HB2      ALA  35  -1.404   1.268 -10.985
  267    HB3  ALA  35           HB3      ALA  35  -0.354   2.249  -9.942
  268    H    ILE  36           H        ILE  36  -3.901   1.611  -7.567
  269    HA   ILE  36           HA       ILE  36  -5.742   0.027  -9.286
  270    HB   ILE  36           HB       ILE  36  -4.964  -0.113  -6.359
  271   HG12  ILE  36          HG12      ILE  36  -4.682  -2.228  -8.525
  272   HG13  ILE  36          HG13      ILE  36  -3.435  -1.004  -8.269
  273   HG21  ILE  36          HG21      ILE  36  -6.984  -1.806  -7.898
  274   HG22  ILE  36          HG22      ILE  36  -6.383  -2.150  -6.259
  275   HG23  ILE  36          HG23      ILE  36  -7.353  -0.698  -6.560
  276   HD11  ILE  36          HD11      ILE  36  -3.267  -1.686  -5.877
  277   HD12  ILE  36          HD12      ILE  36  -4.406  -3.015  -6.205
  278   HD13  ILE  36          HD13      ILE  36  -2.821  -2.976  -7.015
  279    H    PHE  37           H        PHE  37  -5.554   2.832  -7.190
  280    HA   PHE  37           HA       PHE  37  -8.538   3.010  -7.209
  281    HB2  PHE  37           HB2      PHE  37  -6.449   4.099  -5.304
  282    HB3  PHE  37           HB3      PHE  37  -8.135   4.610  -5.290
  283    HD1  PHE  37           HD1      PHE  37  -6.053   1.481  -5.137
  284    HD2  PHE  37           HD2      PHE  37  -9.689   3.479  -4.010
  285    HE1  PHE  37           HE1      PHE  37  -6.689  -0.467  -3.756
  286    HE2  PHE  37           HE2      PHE  37 -10.336   1.531  -2.627
  287    HZ   PHE  37           HZ       PHE  37  -8.812  -0.444  -2.471
  288    H    SER  38           H        SER  38  -5.786   4.265  -8.761
  289    HA   SER  38           HA       SER  38  -6.765   6.995  -8.985
  290    HB2  SER  38           HB2      SER  38  -4.374   6.428  -9.071
  291    HB3  SER  38           HB3      SER  38  -4.636   5.496 -10.558
  292    HG   SER  38           HG       SER  38  -3.920   7.635 -10.961
  293    H    LYS  39           H        LYS  39  -7.809   4.067 -10.313
  294    HA   LYS  39           HA       LYS  39  -8.612   5.169 -12.909
  295    HB2  LYS  39           HB2      LYS  39  -9.550   2.952 -13.301
  296    HB3  LYS  39           HB3      LYS  39  -7.895   2.802 -12.690
  297    HG2  LYS  39           HG2      LYS  39  -8.735   2.301 -10.435
  298    HG3  LYS  39           HG3      LYS  39 -10.405   2.593 -10.969
  299    HD2  LYS  39           HD2      LYS  39 -10.233   0.712 -12.566
  300    HD3  LYS  39           HD3      LYS  39  -8.573   0.388 -12.004
  301    HE2  LYS  39           HE2      LYS  39  -9.412  -0.023  -9.731
  302    HE3  LYS  39           HE3      LYS  39 -11.048   0.433 -10.228
  303    HZ1  LYS  39           HZ1      LYS  39  -9.540  -1.885 -11.233
  304    HZ2  LYS  39           HZ2      LYS  39 -10.800  -1.921 -10.172
  305    HZ3  LYS  39           HZ3      LYS  39 -11.050  -1.443 -11.723
  306    H    TYR  40           H        TYR  40  -9.803   5.402  -9.770
  307    HA   TYR  40           HA       TYR  40 -12.606   5.717 -10.745
  308    HB2  TYR  40           HB2      TYR  40 -11.431   4.499  -8.265
  309    HB3  TYR  40           HB3      TYR  40 -12.969   5.343  -8.123
  310    HD1  TYR  40           HD2      TYR  40 -14.569   4.758 -10.339
  311    HD2  TYR  40           HD1      TYR  40 -11.717   2.183  -8.398
  312    HE1  TYR  40           HE2      TYR  40 -15.804   2.772 -11.161
  313    HE2  TYR  40           HE1      TYR  40 -12.966   0.196  -9.213
  314    HH   TYR  40           HH       TYR  40 -14.741  -0.569 -10.411
  315    H    GLY  41           H        GLY  41  -9.908   7.490  -9.782
  316    HA2  GLY  41           HA2      GLY  41 -11.345   9.902  -9.709
  317    HA3  GLY  41           HA3      GLY  41 -11.124   9.385  -8.029
  318    H    LYS  42           H        LYS  42 -10.048  11.763  -8.895
  319    HA   LYS  42           HA       LYS  42  -7.231  11.422  -9.558
  320    HB2  LYS  42           HB2      LYS  42  -8.331  13.429 -10.316
  321    HB3  LYS  42           HB3      LYS  42  -8.958  13.764  -8.687
  322    HG2  LYS  42           HG2      LYS  42  -7.051  15.230  -9.219
  323    HG3  LYS  42           HG3      LYS  42  -6.715  14.174  -7.840
  324    HD2  LYS  42           HD2      LYS  42  -5.465  12.625  -9.394
  325    HD3  LYS  42           HD3      LYS  42  -5.711  13.819 -10.693
  326    HE2  LYS  42           HE2      LYS  42  -4.584  15.531  -9.273
  327    HE3  LYS  42           HE3      LYS  42  -4.334  14.313  -8.013
  328    HZ1  LYS  42           HZ1      LYS  42  -2.391  14.590  -9.391
  329    HZ2  LYS  42           HZ2      LYS  42  -2.985  13.067  -9.545
  330    HZ3  LYS  42           HZ3      LYS  42  -3.231  14.173 -10.738
  331    H    ILE  43           H        ILE  43  -5.901  10.508  -8.085
  332    HA   ILE  43           HA       ILE  43  -6.384  10.878  -5.218
  333    HB   ILE  43           HB       ILE  43  -4.188   9.450  -6.766
  334   HG12  ILE  43          HG12      ILE  43  -6.669   8.470  -5.294
  335   HG13  ILE  43          HG13      ILE  43  -6.391   8.421  -7.044
  336   HG21  ILE  43          HG21      ILE  43  -4.833   9.439  -3.792
  337   HG22  ILE  43          HG22      ILE  43  -3.570   8.472  -4.590
  338   HG23  ILE  43          HG23      ILE  43  -3.426  10.232  -4.543
  339   HD11  ILE  43          HD11      ILE  43  -6.045   6.214  -6.070
  340   HD12  ILE  43          HD12      ILE  43  -4.505   6.844  -6.702
  341   HD13  ILE  43          HD13      ILE  43  -4.835   6.843  -4.951
  342    H    VAL  44           H        VAL  44  -5.572  12.486  -4.048
  343    HA   VAL  44           HA       VAL  44  -3.273  14.036  -5.152
  344    HB   VAL  44           HB       VAL  44  -4.188  15.916  -3.730
  345   HG11  VAL  44          HG11      VAL  44  -5.954  14.885  -5.989
  346   HG12  VAL  44          HG12      VAL  44  -5.809  16.575  -5.443
  347   HG13  VAL  44          HG13      VAL  44  -4.425  15.771  -6.203
  348   HG21  VAL  44          HG21      VAL  44  -5.711  14.521  -2.318
  349   HG22  VAL  44          HG22      VAL  44  -6.570  15.845  -3.141
  350   HG23  VAL  44          HG23      VAL  44  -6.708  14.195  -3.760
  351    H    GLY  45           H        GLY  45  -4.034  11.732  -2.936
  352    HA2  GLY  45           HA2      GLY  45  -1.511  12.110  -1.567
  353    HA3  GLY  45           HA3      GLY  45  -2.906  12.364  -0.501
  354    H    CYS  46           H        CYS  46  -0.780  10.100  -0.770
  355    HA   CYS  46           HA       CYS  46  -2.737   7.933  -0.472
  356    HB2  CYS  46           HB2      CYS  46  -2.295   7.974  -2.899
  357    HB3  CYS  46           HB3      CYS  46  -0.551   7.865  -2.608
  358    HG   CYS  46           HG       CYS  46  -2.900   5.752  -1.619
  359    H    SER  47           H        SER  47  -1.959   6.140   0.645
  360    HA   SER  47           HA       SER  47   0.867   5.957   1.368
  361    HB2  SER  47           HB2      SER  47   0.505   6.075   3.757
  362    HB3  SER  47           HB3      SER  47  -0.109   7.573   3.010
  363    HG   SER  47           HG       SER  47  -2.194   6.682   3.114
  364    H    VAL  48           H        VAL  48   1.329   3.949   2.521
  365    HA   VAL  48           HA       VAL  48  -0.842   1.960   2.565
  366    HB   VAL  48           HB       VAL  48   0.058   1.757   0.323
  367   HG11  VAL  48          HG11      VAL  48   2.261   2.743   0.614
  368   HG12  VAL  48          HG12      VAL  48   2.767   1.376   1.648
  369   HG13  VAL  48          HG13      VAL  48   2.397   1.109  -0.068
  370   HG21  VAL  48          HG21      VAL  48   0.700  -0.578   0.337
  371   HG22  VAL  48          HG22      VAL  48   1.104  -0.509   2.067
  372   HG23  VAL  48          HG23      VAL  48  -0.584  -0.313   1.532
  373    H    HIS  49           H        HIS  49  -0.486   0.295   4.043
  374    HA   HIS  49           HA       HIS  49   1.870   0.584   5.833
  375    HB2  HIS  49           HB2      HIS  49  -1.025   0.516   6.748
  376    HB3  HIS  49           HB3      HIS  49   0.404   0.724   7.762
  377    HD2  HIS  49           HD3      HIS  49  -1.748   2.623   5.173
  378    HE1  HIS  49           HE1      HIS  49   0.576   5.537   7.217
  379    HE2  HIS  49           HE2      HIS  49  -1.272   5.181   5.501
  380    H    LYS  50           H        LYS  50   1.170  -1.235   7.779
  381    HA   LYS  50           HA       LYS  50   1.098  -3.777   6.335
  382    HB2  LYS  50           HB2      LYS  50   1.341  -2.932   9.233
  383    HB3  LYS  50           HB3      LYS  50   1.001  -4.614   8.814
  384    HG2  LYS  50           HG2      LYS  50   3.398  -3.072   7.743
  385    HG3  LYS  50           HG3      LYS  50   3.429  -4.131   9.170
  386    HD2  LYS  50           HD2      LYS  50   2.542  -6.001   7.702
  387    HD3  LYS  50           HD3      LYS  50   2.785  -4.939   6.300
  388    HE2  LYS  50           HE2      LYS  50   4.686  -6.421   6.526
  389    HE3  LYS  50           HE3      LYS  50   5.200  -4.756   6.883
  390    HZ1  LYS  50           HZ1      LYS  50   4.561  -6.857   8.842
  391    HZ2  LYS  50           HZ2      LYS  50   6.068  -6.321   8.470
  392    HZ3  LYS  50           HZ3      LYS  50   5.005  -5.322   9.231
  393    H    GLY  51           H        GLY  51  -0.669  -4.832   5.768
  394    HA2  GLY  51           HA2      GLY  51  -2.741  -5.782   5.860
  395    HA3  GLY  51           HA3      GLY  51  -2.917  -5.172   7.511
  396    H    PHE  52           H        PHE  52  -2.321  -2.329   5.993
  397    HA   PHE  52           HA       PHE  52  -4.929  -2.049   4.670
  398    HB2  PHE  52           HB2      PHE  52  -5.640  -0.179   6.061
  399    HB3  PHE  52           HB3      PHE  52  -5.531  -1.652   6.994
  400    HD1  PHE  52           HD1      PHE  52  -3.755  -1.923   8.705
  401    HD2  PHE  52           HD2      PHE  52  -4.186   1.708   6.453
  402    HE1  PHE  52           HE1      PHE  52  -2.307  -0.746  10.336
  403    HE2  PHE  52           HE2      PHE  52  -2.741   2.889   8.075
  404    HZ   PHE  52           HZ       PHE  52  -1.787   1.661  10.018
  405    H    ALA  53           H        ALA  53  -5.244   0.233   3.882
  406    HA   ALA  53           HA       ALA  53  -2.812   1.850   3.551
  407    HB1  ALA  53           HB1      ALA  53  -4.339   0.674   1.189
  408    HB2  ALA  53           HB2      ALA  53  -3.033   1.879   1.091
  409    HB3  ALA  53           HB3      ALA  53  -2.685   0.240   1.685
  410    H    PHE  54           H        PHE  54  -3.374   3.951   2.426
  411    HA   PHE  54           HA       PHE  54  -6.237   4.686   2.731
  412    HB2  PHE  54           HB2      PHE  54  -3.894   5.722   4.274
  413    HB3  PHE  54           HB3      PHE  54  -5.078   6.905   3.708
  414    HD1  PHE  54           HD1      PHE  54  -7.538   6.512   4.199
  415    HD2  PHE  54           HD2      PHE  54  -4.361   4.474   6.264
  416    HE1  PHE  54           HE1      PHE  54  -9.100   5.938   6.034
  417    HE2  PHE  54           HE2      PHE  54  -5.923   3.885   8.084
  418    HZ   PHE  54           HZ       PHE  54  -8.299   4.601   7.965
  419    H    VAL  55           H        VAL  55  -6.986   6.143   1.313
  420    HA   VAL  55           HA       VAL  55  -5.061   7.381  -0.593
  421    HB   VAL  55           HB       VAL  55  -7.563   5.781  -1.287
  422   HG11  VAL  55          HG11      VAL  55  -6.965   6.342  -3.636
  423   HG12  VAL  55          HG12      VAL  55  -7.404   7.787  -2.709
  424   HG13  VAL  55          HG13      VAL  55  -5.689   7.431  -3.029
  425   HG21  VAL  55          HG21      VAL  55  -5.557   4.387  -0.866
  426   HG22  VAL  55          HG22      VAL  55  -5.987   4.398  -2.586
  427   HG23  VAL  55          HG23      VAL  55  -4.626   5.384  -2.006
  428    H    GLN  56           H        GLN  56  -5.419   9.481  -0.781
  429    HA   GLN  56           HA       GLN  56  -7.975  10.600   0.234
  430    HB2  GLN  56           HB2      GLN  56  -5.979  11.267   1.417
  431    HB3  GLN  56           HB3      GLN  56  -5.178  11.741  -0.097
  432    HG2  GLN  56           HG2      GLN  56  -5.927  13.719   1.060
  433    HG3  GLN  56           HG3      GLN  56  -6.898  13.515  -0.406
  434   HE21  GLN  56          HE21      GLN  56  -9.101  13.081  -0.241
  435   HE22  GLN  56          HE22      GLN  56  -9.971  13.111   1.273
  436    H    TYR  57           H        TYR  57  -9.384  11.066  -1.360
  437    HA   TYR  57           HA       TYR  57  -8.418  11.797  -4.060
  438    HB2  TYR  57           HB2      TYR  57 -11.180  11.251  -2.920
  439    HB3  TYR  57           HB3      TYR  57 -10.896  11.816  -4.553
  440    HD1  TYR  57           HD1      TYR  57  -8.782  10.328  -5.686
  441    HD2  TYR  57           HD2      TYR  57 -11.735   9.016  -2.854
  442    HE1  TYR  57           HE1      TYR  57  -8.636   8.028  -6.614
  443    HE2  TYR  57           HE2      TYR  57 -11.622   6.712  -3.813
  444    HH   TYR  57           HH       TYR  57  -9.468   5.900  -6.528
  445    H    VAL  58           H        VAL  58 -10.094  13.566  -5.048
  446    HA   VAL  58           HA       VAL  58  -9.431  16.002  -3.594
  447    HB   VAL  58           HB       VAL  58 -10.847  15.520  -6.241
  448   HG11  VAL  58          HG11      VAL  58  -9.740  18.079  -5.006
  449   HG12  VAL  58          HG12      VAL  58 -10.302  17.918  -6.686
  450   HG13  VAL  58          HG13      VAL  58 -11.455  17.735  -5.356
  451   HG21  VAL  58          HG21      VAL  58  -8.485  14.777  -6.204
  452   HG22  VAL  58          HG22      VAL  58  -8.681  16.224  -7.207
  453   HG23  VAL  58          HG23      VAL  58  -7.998  16.365  -5.571
  454    H    ASN  59           H        ASN  59 -12.263  13.952  -4.065
  455    HA   ASN  59           HA       ASN  59 -13.860  15.689  -2.300
  456    HB2  ASN  59           HB2      ASN  59 -15.722  15.826  -3.933
  457    HB3  ASN  59           HB3      ASN  59 -14.267  16.667  -4.500
  458   HD21  ASN  59          HD21      ASN  59 -13.831  16.326  -6.594
  459   HD22  ASN  59          HD22      ASN  59 -14.185  14.852  -7.480
  460    H    GLU  60           H        GLU  60 -16.149  14.696  -2.100
  461    HA   GLU  60           HA       GLU  60 -15.816  12.039  -1.041
  462    HB2  GLU  60           HB2      GLU  60 -17.319  13.509   0.065
  463    HB3  GLU  60           HB3      GLU  60 -18.152  13.937  -1.440
  464    HG2  GLU  60           HG2      GLU  60 -19.154  11.755  -1.619
  465    HG3  GLU  60           HG3      GLU  60 -18.159  11.123  -0.301
  466    H    ARG  61           H        ARG  61 -17.234  13.335  -4.029
  467    HA   ARG  61           HA       ARG  61 -18.676  11.059  -4.870
  468    HB2  ARG  61           HB2      ARG  61 -19.176  12.930  -6.067
  469    HB3  ARG  61           HB3      ARG  61 -17.546  13.579  -5.971
  470    HG2  ARG  61           HG2      ARG  61 -17.964  13.167  -8.256
  471    HG3  ARG  61           HG3      ARG  61 -16.773  12.003  -7.704
  472    HD2  ARG  61           HD2      ARG  61 -18.384  10.834  -9.079
  473    HD3  ARG  61           HD3      ARG  61 -18.653  10.337  -7.392
  474    HE   ARG  61           HE       ARG  61 -20.322  12.578  -8.061
  475   HH11  ARG  61          HH11      ARG  61 -20.005   9.097  -8.575
  476   HH12  ARG  61          HH12      ARG  61 -21.715   8.859  -8.842
  477   HH21  ARG  61          HH21      ARG  61 -22.541  12.248  -8.414
  478   HH22  ARG  61          HH22      ARG  61 -23.154  10.643  -8.740
  479    H    ASN  62           H        ASN  62 -15.229  11.918  -5.254
  480    HA   ASN  62           HA       ASN  62 -14.584   9.688  -6.964
  481    HB2  ASN  62           HB2      ASN  62 -13.035  11.634  -5.237
  482    HB3  ASN  62           HB3      ASN  62 -12.226  10.271  -6.028
  483   HD21  ASN  62          HD21      ASN  62 -14.850  12.510  -7.167
  484   HD22  ASN  62          HD22      ASN  62 -14.008  12.942  -8.644
  485    H    ALA  63           H        ALA  63 -14.676  10.171  -3.406
  486    HA   ALA  63           HA       ALA  63 -13.352   7.690  -2.801
  487    HB1  ALA  63           HB1      ALA  63 -15.279   9.351  -1.132
  488    HB2  ALA  63           HB2      ALA  63 -14.236   8.041  -0.539
  489    HB3  ALA  63           HB3      ALA  63 -13.504   9.530  -1.179
  490    H    ARG  64           H        ARG  64 -16.817   8.605  -3.178
  491    HA   ARG  64           HA       ARG  64 -17.836   6.052  -2.391
  492    HB2  ARG  64           HB2      ARG  64 -18.969   8.110  -4.341
  493    HB3  ARG  64           HB3      ARG  64 -19.887   6.790  -3.615
  494    HG2  ARG  64           HG2      ARG  64 -18.571   9.044  -2.045
  495    HG3  ARG  64           HG3      ARG  64 -20.266   9.020  -2.556
  496    HD2  ARG  64           HD2      ARG  64 -20.660   6.993  -1.223
  497    HD3  ARG  64           HD3      ARG  64 -18.953   6.970  -0.732
  498    HE   ARG  64           HE       ARG  64 -20.016   9.525  -0.109
  499   HH11  ARG  64          HH11      ARG  64 -20.446   6.163   0.943
  500   HH12  ARG  64          HH12      ARG  64 -20.842   6.637   2.582
  501   HH21  ARG  64          HH21      ARG  64 -20.587  10.079   1.984
  502   HH22  ARG  64          HH22      ARG  64 -20.958   8.838   3.162
  503    H    ALA  65           H        ALA  65 -16.362   7.256  -5.358
  504    HA   ALA  65           HA       ALA  65 -17.460   5.305  -7.146
  505    HB1  ALA  65           HB1      ALA  65 -14.844   6.855  -7.317
  506    HB2  ALA  65           HB2      ALA  65 -15.700   6.080  -8.658
  507    HB3  ALA  65           HB3      ALA  65 -16.433   7.480  -7.834
  508    H    ALA  66           H        ALA  66 -14.438   5.422  -5.174
  509    HA   ALA  66           HA       ALA  66 -13.704   2.765  -6.215
  510    HB1  ALA  66           HB1      ALA  66 -12.319   4.569  -4.201
  511    HB2  ALA  66           HB2      ALA  66 -11.638   3.109  -4.966
  512    HB3  ALA  66           HB3      ALA  66 -12.025   4.535  -5.958
  513    H    VAL  67           H        VAL  67 -15.096   4.212  -3.284
  514    HA   VAL  67           HA       VAL  67 -14.715   1.885  -1.629
  515    HB   VAL  67           HB       VAL  67 -16.429   4.377  -1.444
  516   HG11  VAL  67          HG11      VAL  67 -16.374   2.009   0.453
  517   HG12  VAL  67          HG12      VAL  67 -16.999   3.629   0.869
  518   HG13  VAL  67          HG13      VAL  67 -17.788   2.674  -0.402
  519   HG21  VAL  67          HG21      VAL  67 -13.974   4.478  -1.029
  520   HG22  VAL  67          HG22      VAL  67 -14.918   4.826   0.437
  521   HG23  VAL  67          HG23      VAL  67 -14.156   3.238   0.232
  522    H    ALA  68           H        ALA  68 -17.014   2.739  -4.125
  523    HA   ALA  68           HA       ALA  68 -18.491   0.224  -3.487
  524    HB1  ALA  68           HB1      ALA  68 -19.354   2.585  -5.194
  525    HB2  ALA  68           HB2      ALA  68 -20.325   1.143  -4.820
  526    HB3  ALA  68           HB3      ALA  68 -19.872   2.265  -3.520
  527    H    GLY  69           H        GLY  69 -16.073   1.469  -5.564
  528    HA2  GLY  69           HA2      GLY  69 -16.895  -0.222  -7.851
  529    HA3  GLY  69           HA3      GLY  69 -15.627   1.011  -7.818
  530    H    GLU  70           H        GLU  70 -14.555  -0.189  -5.193
  531    HA   GLU  70           HA       GLU  70 -13.149  -2.538  -6.433
  532    HB2  GLU  70           HB2      GLU  70 -12.089  -0.313  -4.657
  533    HB3  GLU  70           HB3      GLU  70 -11.180  -1.776  -5.083
  534    HG2  GLU  70           HG2      GLU  70 -12.275   0.180  -7.133
  535    HG3  GLU  70           HG3      GLU  70 -10.640   0.255  -6.467
  536    H    ASP  71           H        ASP  71 -15.021  -1.395  -3.718
  537    HA   ASP  71           HA       ASP  71 -13.866  -2.983  -1.678
  538    HB2  ASP  71           HB2      ASP  71 -15.472  -1.258  -1.163
  539    HB3  ASP  71           HB3      ASP  71 -16.711  -2.043  -2.142
  540    H    GLY  72           H        GLY  72 -13.809  -5.082  -1.245
  541    HA2  GLY  72           HA2      GLY  72 -14.550  -7.274  -1.131
  542    HA3  GLY  72           HA3      GLY  72 -15.904  -6.884  -2.213
  543    H    ARG  73           H        ARG  73 -12.827  -5.808  -3.410
  544    HA   ARG  73           HA       ARG  73 -12.964  -7.943  -5.439
  545    HB2  ARG  73           HB2      ARG  73 -11.708  -6.613  -6.843
  546    HB3  ARG  73           HB3      ARG  73 -12.749  -5.459  -5.989
  547    HG2  ARG  73           HG2      ARG  73 -10.945  -4.665  -4.661
  548    HG3  ARG  73           HG3      ARG  73  -9.912  -6.051  -5.041
  549    HD2  ARG  73           HD2      ARG  73 -10.873  -4.114  -7.166
  550    HD3  ARG  73           HD3      ARG  73  -9.366  -3.886  -6.256
  551    HE   ARG  73           HE       ARG  73  -9.479  -6.544  -7.350
  552   HH11  ARG  73          HH11      ARG  73  -8.910  -3.181  -8.291
  553   HH12  ARG  73          HH12      ARG  73  -7.858  -3.619  -9.619
  554   HH21  ARG  73          HH21      ARG  73  -8.121  -7.076  -9.078
  555   HH22  ARG  73          HH22      ARG  73  -7.432  -5.823 -10.080
  556    H    MET  74           H        MET  74 -10.939  -8.977  -6.210
  557    HA   MET  74           HA       MET  74  -9.221  -9.667  -3.889
  558    HB2  MET  74           HB2      MET  74 -10.264 -11.555  -4.915
  559    HB3  MET  74           HB3      MET  74  -9.739 -11.059  -6.536
  560    HG2  MET  74           HG2      MET  74  -7.483 -11.547  -6.112
  561    HG3  MET  74           HG3      MET  74  -7.701 -11.496  -4.355
  562    HE1  MET  74           HE1      MET  74  -9.194 -14.758  -3.308
  563    HE2  MET  74           HE2      MET  74  -8.412 -13.213  -2.873
  564    HE3  MET  74           HE3      MET  74 -10.035 -13.209  -3.588
  565    H    ILE  75           H        ILE  75  -7.123  -9.254  -3.787
  566    HA   ILE  75           HA       ILE  75  -5.610  -8.464  -6.191
  567    HB   ILE  75           HB       ILE  75  -5.630  -6.863  -3.599
  568   HG12  ILE  75          HG12      ILE  75  -6.555  -6.042  -6.391
  569   HG13  ILE  75          HG13      ILE  75  -7.651  -6.500  -5.072
  570   HG21  ILE  75          HG21      ILE  75  -4.105  -6.427  -6.199
  571   HG22  ILE  75          HG22      ILE  75  -4.075  -5.354  -4.782
  572   HG23  ILE  75          HG23      ILE  75  -3.406  -6.982  -4.653
  573   HD11  ILE  75          HD11      ILE  75  -5.772  -4.116  -5.086
  574   HD12  ILE  75          HD12      ILE  75  -7.552  -4.109  -5.169
  575   HD13  ILE  75          HD13      ILE  75  -6.735  -4.636  -3.689
  576    H    ALA  76           H        ALA  76  -3.584  -9.290  -6.159
  577    HA   ALA  76           HA       ALA  76  -1.907 -10.666  -5.626
  578    HB1  ALA  76           HB1      ALA  76  -2.219  -9.353  -2.908
  579    HB2  ALA  76           HB2      ALA  76  -0.784 -10.242  -3.468
  580    HB3  ALA  76           HB3      ALA  76  -1.278  -8.743  -4.285
  581    H    GLY  77           H        GLY  77  -4.889 -11.576  -4.716
  582    HA2  GLY  77           HA2      GLY  77  -5.224 -13.971  -4.684
  583    HA3  GLY  77           HA3      GLY  77  -3.836 -14.136  -3.599
  584    H    GLN  78           H        GLN  78  -5.552 -11.444  -2.535
  585    HA   GLN  78           HA       GLN  78  -7.583 -12.974  -1.006
  586    HB2  GLN  78           HB2      GLN  78  -6.908 -11.737   1.065
  587    HB3  GLN  78           HB3      GLN  78  -5.775 -13.004   0.536
  588    HG2  GLN  78           HG2      GLN  78  -5.345 -10.149  -0.306
  589    HG3  GLN  78           HG3      GLN  78  -4.869 -10.698   1.316
  590   HE21  GLN  78          HE21      GLN  78  -3.844 -10.378  -1.848
  591   HE22  GLN  78          HE22      GLN  78  -2.456 -11.460  -1.766
  592    H    VAL  79           H        VAL  79  -9.105 -11.522   0.082
  593    HA   VAL  79           HA       VAL  79  -9.743  -9.280  -1.744
  594    HB   VAL  79           HB       VAL  79 -11.401 -10.804   0.292
  595   HG11  VAL  79          HG11      VAL  79 -12.217  -8.564  -1.606
  596   HG12  VAL  79          HG12      VAL  79 -13.342  -9.604  -0.705
  597   HG13  VAL  79          HG13      VAL  79 -12.255  -8.514   0.172
  598   HG21  VAL  79          HG21      VAL  79 -10.862 -12.060  -1.775
  599   HG22  VAL  79          HG22      VAL  79 -12.578 -11.623  -1.730
  600   HG23  VAL  79          HG23      VAL  79 -11.465 -10.697  -2.756
  601    H    LEU  80           H        LEU  80 -10.397  -7.272  -0.983
  602    HA   LEU  80           HA       LEU  80  -9.402  -6.549   1.734
  603    HB2  LEU  80           HB2      LEU  80  -9.027  -4.243   0.501
  604    HB3  LEU  80           HB3      LEU  80  -7.781  -5.461   0.665
  605    HG   LEU  80           HG       LEU  80  -7.807  -4.418  -1.522
  606   HD11  LEU  80          HD11      LEU  80  -8.555  -7.341  -1.863
  607   HD12  LEU  80          HD12      LEU  80  -7.562  -6.338  -2.891
  608   HD13  LEU  80          HD13      LEU  80  -6.987  -6.755  -1.257
  609   HD21  LEU  80          HD21      LEU  80 -10.479  -5.782  -2.013
  610   HD22  LEU  80          HD22      LEU  80  -9.558  -4.714  -3.105
  611   HD23  LEU  80          HD23      LEU  80 -10.289  -4.065  -1.619
  612    H    ASP  81           H        ASP  81 -10.508  -5.123   2.908
  613    HA   ASP  81           HA       ASP  81 -13.325  -4.719   2.084
  614    HB2  ASP  81           HB2      ASP  81 -12.861  -5.930   4.194
  615    HB3  ASP  81           HB3      ASP  81 -11.892  -4.571   4.771
  616    H    ILE  82           H        ILE  82 -13.604  -2.812   1.036
  617    HA   ILE  82           HA       ILE  82 -11.953  -0.492   1.887
  618    HB   ILE  82           HB       ILE  82 -13.408  -1.076  -0.699
  619   HG12  ILE  82          HG12      ILE  82 -10.413  -0.855  -0.221
  620   HG13  ILE  82          HG13      ILE  82 -11.264  -2.403  -0.118
  621   HG21  ILE  82          HG21      ILE  82 -11.560   1.233   0.036
  622   HG22  ILE  82          HG22      ILE  82 -12.308   0.953  -1.552
  623   HG23  ILE  82          HG23      ILE  82 -13.329   1.348  -0.161
  624   HD11  ILE  82          HD11      ILE  82 -11.281  -0.601  -2.570
  625   HD12  ILE  82          HD12      ILE  82 -10.316  -2.083  -2.364
  626   HD13  ILE  82          HD13      ILE  82 -12.089  -2.177  -2.391
  627    H    ASN  83           H        ASN  83 -12.902   1.432   2.468
  628    HA   ASN  83           HA       ASN  83 -15.820   1.726   2.407
  629    HB2  ASN  83           HB2      ASN  83 -15.185   0.206   4.372
  630    HB3  ASN  83           HB3      ASN  83 -14.377   1.615   5.080
  631   HD21  ASN  83          HD21      ASN  83 -15.709   3.393   5.862
  632   HD22  ASN  83          HD22      ASN  83 -17.437   3.174   6.057
  633    H    LEU  84           H        LEU  84 -16.465   3.893   3.322
  634    HA   LEU  84           HA       LEU  84 -14.581   5.967   2.699
  635    HB2  LEU  84           HB2      LEU  84 -17.354   5.788   3.377
  636    HB3  LEU  84           HB3      LEU  84 -16.599   6.813   4.598
  637    HG   LEU  84           HG       LEU  84 -15.449   7.977   2.505
  638   HD11  LEU  84          HD11      LEU  84 -17.912   6.683   1.287
  639   HD12  LEU  84          HD12      LEU  84 -16.935   7.974   0.536
  640   HD13  LEU  84          HD13      LEU  84 -16.219   6.374   0.840
  641   HD21  LEU  84          HD21      LEU  84 -17.422   9.494   2.372
  642   HD22  LEU  84          HD22      LEU  84 -17.002   9.065   4.047
  643   HD23  LEU  84          HD23      LEU  84 -18.385   8.282   3.253
  644    H    ALA  85           H        ALA  85 -13.698   7.552   4.343
  645    HA   ALA  85           HA       ALA  85 -12.411   5.987   6.436
  646    HB1  ALA  85           HB1      ALA  85 -11.048   7.983   6.735
  647    HB2  ALA  85           HB2      ALA  85 -11.174   7.559   5.009
  648    HB3  ALA  85           HB3      ALA  85 -12.141   8.908   5.672
  649    H    ALA  86           H        ALA  86 -15.363   7.578   6.386
  650    HA   ALA  86           HA       ALA  86 -15.226   8.041   9.320
  651    HB1  ALA  86           HB1      ALA  86 -15.021  10.202   8.148
  652    HB2  ALA  86           HB2      ALA  86 -16.532   9.871   7.267
  653    HB3  ALA  86           HB3      ALA  86 -16.557  10.083   9.035
  654    H    GLU  87           H        GLU  87 -16.427   5.982   7.226
  655    HA   GLU  87           HA       GLU  87 -19.064   5.889   8.591
  656    HB2  GLU  87           HB2      GLU  87 -18.667   5.504   5.606
  657    HB3  GLU  87           HB3      GLU  87 -20.189   5.323   6.506
  658    HG2  GLU  87           HG2      GLU  87 -19.979   7.723   7.223
  659    HG3  GLU  87           HG3      GLU  87 -18.590   7.882   6.135
  660    HA   PRO  88           HA       PRO  88 -16.785   1.757   8.165
  661    HB2  PRO  88           HB2      PRO  88 -16.120   1.259  10.781
  662    HB3  PRO  88           HB3      PRO  88 -15.077   2.180   9.660
  663    HG2  PRO  88           HG2      PRO  88 -17.078   3.272  11.673
  664    HG3  PRO  88           HG3      PRO  88 -15.364   3.767  11.437
  665    HD2  PRO  88           HD2      PRO  88 -17.409   5.161  10.311
  666    HD3  PRO  88           HD3      PRO  88 -15.880   4.888   9.420
  667    H    LYS  89           H        LYS  89 -17.831  -0.173   8.465
  668    HA   LYS  89           HA       LYS  89 -20.256  -0.237  10.202
  669    HB2  LYS  89           HB2      LYS  89 -20.026  -1.115   7.298
  670    HB3  LYS  89           HB3      LYS  89 -21.432  -1.414   8.331
  671    HG2  LYS  89           HG2      LYS  89 -20.396   1.345   7.569
  672    HG3  LYS  89           HG3      LYS  89 -21.753   0.508   6.798
  673    HD2  LYS  89           HD2      LYS  89 -22.966   0.444   8.950
  674    HD3  LYS  89           HD3      LYS  89 -21.624   1.297   9.743
  675    HE2  LYS  89           HE2      LYS  89 -21.918   3.199   8.177
  676    HE3  LYS  89           HE3      LYS  89 -23.273   2.349   7.413
  677    HZ1  LYS  89           HZ1      LYS  89 -23.164   3.208  10.231
  678    HZ2  LYS  89           HZ2      LYS  89 -24.047   3.920   9.037
  679    HZ3  LYS  89           HZ3      LYS  89 -24.413   2.401   9.533
  680    H    VAL  90           H        VAL  90 -17.302  -1.497   9.748
  681    HA   VAL  90           HA       VAL  90 -18.166  -4.311  10.266
  682    HB   VAL  90           HB       VAL  90 -15.601  -3.285   8.995
  683   HG11  VAL  90          HG11      VAL  90 -15.224  -5.703   8.487
  684   HG12  VAL  90          HG12      VAL  90 -15.211  -5.386  10.230
  685   HG13  VAL  90          HG13      VAL  90 -16.647  -6.115   9.465
  686   HG21  VAL  90          HG21      VAL  90 -17.548  -3.073   7.486
  687   HG22  VAL  90          HG22      VAL  90 -16.493  -4.393   6.954
  688   HG23  VAL  90          HG23      VAL  90 -17.997  -4.764   7.816
  689    H    ASN  91           H        ASN  91 -16.968  -5.496  11.809
  690    HA   ASN  91           HA       ASN  91 -16.507  -3.919  14.175
  691    HB2  ASN  91           HB2      ASN  91 -15.957  -6.879  13.858
  692    HB3  ASN  91           HB3      ASN  91 -16.475  -6.010  15.308
  693   HD21  ASN  91          HD21      ASN  91 -17.429  -7.383  12.214
  694   HD22  ASN  91          HD22      ASN  91 -19.162  -7.324  12.483
  695    H    ARG  92           H        ARG  92 -14.495  -4.324  11.650
  696    HA   ARG  92           HA       ARG  92 -12.289  -4.607  11.267
  697    HB2  ARG  92           HB2      ARG  92 -12.232  -2.961  13.824
  698    HB3  ARG  92           HB3      ARG  92 -10.795  -3.269  12.825
  699    HG2  ARG  92           HG2      ARG  92 -12.008  -2.362  10.838
  700    HG3  ARG  92           HG3      ARG  92 -13.363  -1.923  11.895
  701    HD2  ARG  92           HD2      ARG  92 -10.500  -0.892  12.153
  702    HD3  ARG  92           HD3      ARG  92 -11.851   0.004  11.453
  703    HE   ARG  92           HE       ARG  92 -12.932   0.040  13.637
  704   HH11  ARG  92          HH11      ARG  92  -9.512  -0.938  13.653
  705   HH12  ARG  92          HH12      ARG  92  -9.300  -0.521  15.331
  706   HH21  ARG  92          HH21      ARG  92 -12.603   0.566  15.807
  707   HH22  ARG  92          HH22      ARG  92 -11.033   0.334  16.544
  708    H    GLY  93           H        GLY  93 -13.169  -6.914  11.963
  709    HA2  GLY  93           HA2      GLY  93 -11.954  -8.101  14.276
  710    HA3  GLY  93           HA3      GLY  93 -12.743  -8.946  12.928
  711    H    LYS  94           H        LYS  94 -10.342  -6.867  11.765
  712    HA   LYS  94           HA       LYS  94  -8.317  -7.092  10.853
  713    HB2  LYS  94           HB2      LYS  94  -7.822  -8.936  13.185
  714    HB3  LYS  94           HB3      LYS  94  -6.584  -8.163  12.169
  715    HG2  LYS  94           HG2      LYS  94  -7.571  -5.920  12.802
  716    HG3  LYS  94           HG3      LYS  94  -8.622  -6.760  13.954
  717    HD2  LYS  94           HD2      LYS  94  -5.577  -6.765  13.969
  718    HD3  LYS  94           HD3      LYS  94  -6.629  -5.864  15.072
  719    HE2  LYS  94           HE2      LYS  94  -7.600  -7.999  15.886
  720    HE3  LYS  94           HE3      LYS  94  -6.530  -8.900  14.800
  721    HZ1  LYS  94           HZ1      LYS  94  -5.654  -7.130  16.988
  722    HZ2  LYS  94           HZ2      LYS  94  -5.627  -8.773  17.014
  723    HZ3  LYS  94           HZ3      LYS  94  -4.656  -7.951  15.977
  724    H    ALA  95           H        ALA  95 -10.343  -9.790  10.777
  725    HA   ALA  95           HA       ALA  95  -8.915 -10.757   8.420
  726    HB1  ALA  95           HB1      ALA  95  -9.310 -12.550  10.855
  727    HB2  ALA  95           HB2      ALA  95  -8.715 -13.082   9.266
  728    HB3  ALA  95           HB3      ALA  95  -7.745 -11.961  10.246
  729    H    GLY  96           H        GLY  96 -11.681 -10.751  10.617
  730    HA2  GLY  96           HA2      GLY  96 -13.914 -10.984  10.110
  731    HA3  GLY  96           HA3      GLY  96 -13.486 -11.378   8.430
  732    H    VAL  97           H        VAL  97 -11.570 -13.340  10.265
  733    HA   VAL  97           HA       VAL  97 -13.473 -15.612  10.085
  734    HB   VAL  97           HB       VAL  97 -10.435 -15.504  10.277
  735   HG11  VAL  97          HG11      VAL  97 -10.567 -17.927   9.694
  736   HG12  VAL  97          HG12      VAL  97 -11.254 -17.564  11.287
  737   HG13  VAL  97          HG13      VAL  97 -12.332 -17.851   9.896
  738   HG21  VAL  97          HG21      VAL  97 -10.519 -16.280   7.929
  739   HG22  VAL  97          HG22      VAL  97 -12.298 -16.177   7.961
  740   HG23  VAL  97          HG23      VAL  97 -11.313 -14.705   8.109
  741    H    LYS  98           H        LYS  98 -11.621 -13.651  12.316
  742    HA   LYS  98           HA       LYS  98 -11.758 -15.542  14.525
  743    HB2  LYS  98           HB2      LYS  98 -10.891 -12.664  14.197
  744    HB3  LYS  98           HB3      LYS  98 -11.150 -13.344  15.809
  745    HG2  LYS  98           HG2      LYS  98  -8.812 -13.545  15.221
  746    HG3  LYS  98           HG3      LYS  98  -9.555 -15.148  15.372
  747    HD2  LYS  98           HD2      LYS  98  -9.684 -15.347  12.923
  748    HD3  LYS  98           HD3      LYS  98  -9.027 -13.699  12.747
  749    HE2  LYS  98           HE2      LYS  98  -6.962 -14.403  13.903
  750    HE3  LYS  98           HE3      LYS  98  -7.616 -16.034  14.105
  751    HZ1  LYS  98           HZ1      LYS  98  -7.064 -14.715  11.530
  752    HZ2  LYS  98           HZ2      LYS  98  -6.160 -15.903  12.215
  753    HZ3  LYS  98           HZ3      LYS  98  -7.690 -16.229  11.710
  754    H    ARG  99           H        ARG  99 -12.856 -15.088  16.537
  755    HA   ARG  99           HA       ARG  99 -15.680 -14.581  16.070
  756    HB2  ARG  99           HB2      ARG  99 -13.948 -15.565  18.319
  757    HB3  ARG  99           HB3      ARG  99 -15.547 -14.948  18.714
  758    HG2  ARG  99           HG2      ARG  99 -15.567 -17.390  18.360
  759    HG3  ARG  99           HG3      ARG  99 -16.600 -16.553  17.189
  760    HD2  ARG  99           HD2      ARG  99 -14.866 -16.733  15.470
  761    HD3  ARG  99           HD3      ARG  99 -13.750 -17.476  16.636
  762    HE   ARG  99           HE       ARG  99 -15.895 -19.152  16.746
  763   HH11  ARG  99          HH11      ARG  99 -14.040 -17.862  14.008
  764   HH12  ARG  99          HH12      ARG  99 -14.337 -19.270  13.018
  765   HH21  ARG  99          HH21      ARG  99 -16.242 -20.954  15.426
  766   HH22  ARG  99          HH22      ARG  99 -15.573 -21.008  13.809
  767    H    SER 100           H        SER 100 -16.961 -13.217  17.547
  768    HA   SER 100           HA       SER 100 -16.051 -10.485  17.499
  769    HB2  SER 100           HB2      SER 100 -18.410 -11.148  17.215
  770    HB3  SER 100           HB3      SER 100 -18.419 -11.820  18.862
  771    HG   SER 100           HG       SER 100 -19.252  -9.666  18.740
  772    H    ALA 101           H        ALA 101 -15.892  -9.076  19.455
  773    HA   ALA 101           HA       ALA 101 -14.100 -10.262  21.331
  774    HB1  ALA 101           HB1      ALA 101 -15.558  -7.581  21.417
  775    HB2  ALA 101           HB2      ALA 101 -14.137  -8.023  22.390
  776    HB3  ALA 101           HB3      ALA 101 -13.993  -7.895  20.625
  777    H    ALA 102           H        ALA 102 -17.489 -10.383  21.206
  778    HA   ALA 102           HA       ALA 102 -17.767 -10.738  24.136
  779    HB1  ALA 102           HB1      ALA 102 -19.800 -10.678  21.881
  780    HB2  ALA 102           HB2      ALA 102 -20.179 -10.750  23.619
  781    HB3  ALA 102           HB3      ALA 102 -19.388  -9.306  22.942
  782    H    GLU 103           H        GLU 103 -17.001 -12.552  21.409
  783    HA   GLU 103           HA       GLU 103 -17.994 -15.069  22.655
  784    HB2  GLU 103           HB2      GLU 103 -17.874 -14.363  19.697
  785    HB3  GLU 103           HB3      GLU 103 -18.294 -15.952  20.357
  786    HG2  GLU 103           HG2      GLU 103 -20.216 -14.917  21.569
  787    HG3  GLU 103           HG3      GLU 103 -19.820 -13.357  20.834
  788    H    MET 104           H        MET 104 -15.314 -13.322  22.267
  789    HA   MET 104           HA       MET 104 -13.534 -15.134  20.924
  790    HB2  MET 104           HB2      MET 104 -13.262 -12.716  22.704
  791    HB3  MET 104           HB3      MET 104 -11.825 -13.691  22.377
  792    HG2  MET 104           HG2      MET 104 -13.473 -12.964  20.003
  793    HG3  MET 104           HG3      MET 104 -12.622 -11.641  20.812
  794    HE1  MET 104           HE1      MET 104 -12.215 -15.193  19.234
  795    HE2  MET 104           HE2      MET 104 -10.444 -15.358  19.115
  796    HE3  MET 104           HE3      MET 104 -11.229 -15.344  20.712
  797    H    TYR 105           H        TYR 105 -14.880 -15.075  24.140
  798    HA   TYR 105           HA       TYR 105 -13.136 -17.377  24.869
  799    HB2  TYR 105           HB2      TYR 105 -13.754 -15.063  26.730
  800    HB3  TYR 105           HB3      TYR 105 -12.700 -16.441  27.052
  801    HD1  TYR 105           HD1      TYR 105 -10.621 -16.708  25.477
  802    HD2  TYR 105           HD2      TYR 105 -12.901 -13.085  25.870
  803    HE1  TYR 105           HE1      TYR 105  -8.719 -15.419  24.534
  804    HE2  TYR 105           HE2      TYR 105 -10.988 -11.778  24.954
  805    HH   TYR 105           HH       TYR 105  -7.929 -13.344  23.947
  806    H    GLY 106           H        GLY 106 -16.240 -15.929  24.750
  807    HA2  GLY 106           HA2      GLY 106 -18.309 -16.717  25.337
  808    HA3  GLY 106           HA3      GLY 106 -17.546 -18.251  25.798
  809    H5'    A   1           H5'        A   1   2.096 -12.769   8.816
  810   H5''    A   1          H5''        A   1   3.700 -12.716   8.050
  811    H4'    A   1           H4'        A   1   3.150 -11.619  10.845
  812    H3'    A   1           H3'        A   1   1.897 -10.470   8.763
  813    H2'    A   1           H2'        A   1   3.628 -10.593   7.181
  814   HO2'    A   1          HO2'        A   1   3.068  -8.360   7.376
  815    H1'    A   1           H1'        A   1   5.765  -9.580   8.963
  816    H8     A   1           H8         A   1   5.902  -9.884   5.929
  817    H61    A   1           H61        A   1   9.083 -15.189   5.409
  818    H62    A   1           H62        A   1   8.565 -13.739   4.569
  819    H2     A   1           H2         A   1   7.511 -15.010   9.481
  820    H5'    U   2           H5'        U   2   1.098  -6.864   9.336
  821   H5''    U   2          H5''        U   2   0.145  -6.629  10.815
  822    H4'    U   2           H4'        U   2  -1.326  -5.948   9.132
  823    H3'    U   2           H3'        U   2  -2.012  -8.205  10.619
  824    H2'    U   2           H2'        U   2  -1.322  -9.731   8.903
  825   HO2'    U   2          HO2'        U   2  -4.061  -9.085   8.470
  826    H1'    U   2           H1'        U   2  -2.625  -7.884   6.901
  827    H3     U   2           H3         U   2  -1.850 -10.961   3.667
  828    H5     U   2           H5         U   2   1.480 -11.386   6.193
  829    H6     U   2           H6         U   2   0.609  -9.579   7.552
  830    H5'    U   3           H5'        U   3  -4.928  -5.073   8.113
  831   H5''    U   3          H5''        U   3  -4.258  -3.932   9.294
  832    H4'    U   3           H4'        U   3  -6.038  -2.751   8.435
  833    H3'    U   3           H3'        U   3  -6.411  -3.713  11.114
  834    H2'    U   3           H2'        U   3  -8.347  -4.910  10.503
  835   HO2'    U   3          HO2'        U   3  -8.958  -2.713  11.601
  836    H1'    U   3           H1'        U   3  -8.778  -2.823   8.333
  837    H3     U   3           H3         U   3 -12.715  -4.675   7.043
  838    H5     U   3           H5         U   3 -10.569  -7.957   8.569
  839    H6     U   3           H6         U   3  -8.706  -6.446   8.992
  840    H5'    U   4           H5'        U   4  -6.150   0.774   9.696
  841   H5''    U   4          H5''        U   4  -5.336   1.056  11.244
  842    H4'    U   4           H4'        U   4  -5.782   3.197  10.284
  843    H3'    U   4           H3'        U   4  -6.924   2.419  12.823
  844    H2'    U   4           H2'        U   4  -9.115   2.642  12.080
  845   HO2'    U   4          HO2'        U   4  -9.865   4.743  12.577
  846    H1'    U   4           H1'        U   4  -8.142   4.834  10.215
  847    H3     U   4           H3         U   4 -12.244   5.827   8.706
  848    H5     U   4           H5         U   4 -12.497   1.692   9.386
  849    H6     U   4           H6         U   4 -10.220   1.738  10.219
  850    H5'    U   5           H5'        U   5  -3.845   3.237  10.572
  851   H5''    U   5          H5''        U   5  -2.521   3.252  11.752
  852    H4'    U   5           H4'        U   5  -1.507   3.907   9.748
  853    H3'    U   5           H3'        U   5  -1.442   5.659  11.833
  854    H2'    U   5           H2'        U   5  -3.339   6.941  11.196
  855   HO2'    U   5          HO2'        U   5  -1.243   8.237  11.073
  856    H1'    U   5           H1'        U   5  -2.463   6.941   8.318
  857    H3     U   5           H3         U   5  -6.320   8.483   6.666
  858    H5     U   5           H5         U   5  -7.487   6.897  10.383
  859    H6     U   5           H6         U   5  -5.202   6.163  10.718
  860    H5'    U   6           H5'        U   6   2.061   5.103   8.821
  861   H5''    U   6          H5''        U   6   3.396   5.427   9.938
  862    H4'    U   6           H4'        U   6   4.300   5.556   7.741
  863    H3'    U   6           H3'        U   6   4.630   7.714   9.375
  864    H2'    U   6           H2'        U   6   2.687   8.899   8.712
  865   HO2'    U   6          HO2'        U   6   4.511  10.257   8.282
  866    H1'    U   6           H1'        U   6   3.192   8.333   5.799
  867    H3     U   6           H3         U   6  -0.723   9.375   4.140
  868    H5     U   6           H5         U   6  -1.491   9.286   8.261
  869    H6     U   6           H6         U   6   0.750   8.432   8.614
  870    H5'    C   7           H5'        C   7   5.429   5.566   9.828
  871   H5''    C   7          H5''        C   7   7.122   5.429  10.324
  872    H4'    C   7           H4'        C   7   6.049   3.260  10.555
  873    H3'    C   7           H3'        C   7   7.927   3.361   8.173
  874    H2'    C   7           H2'        C   7   7.578   1.023   8.024
  875   HO2'    C   7          HO2'        C   7   7.946   0.651  10.311
  876    H1'    C   7           H1'        C   7   4.925   1.168   9.098
  877    H41    C   7           H41        C   7   5.058   0.786   2.465
  878    H42    C   7           H42        C   7   4.281  -0.692   3.009
  879    H5     C   7           H5         C   7   3.968  -1.227   5.376
  880    H6     C   7           H6         C   7   4.366  -0.454   7.634
  Start of MODEL   16
    1    H1   ALA   2           H        ALA   2   1.812  12.880  -6.291
    2    H2   ALA   2           H2       ALA   2   1.701  11.337  -5.704
    3    HA   ALA   2           HA       ALA   2  -0.304  13.448  -5.388
    4    HB1  ALA   2           HB1      ALA   2  -0.273  10.603  -4.303
    5    HB2  ALA   2           HB2      ALA   2  -1.488  11.858  -3.934
    6    HB3  ALA   2           HB3      ALA   2  -1.340  11.237  -5.580
    7    H    SER   3           H        SER   3  -0.692  13.654  -2.817
    8    HA   SER   3           HA       SER   3   1.840  14.817  -2.063
    9    HB2  SER   3           HB2      SER   3  -0.361  15.985  -1.995
   10    HB3  SER   3           HB3      SER   3  -0.813  14.962  -0.612
   11    HG   SER   3           HG       SER   3   0.100  16.986  -0.004
   12    H    ASN   4           H        ASN   4   0.818  11.724  -1.502
   13    HA   ASN   4           HA       ASN   4   1.389  10.122   0.013
   14    HB2  ASN   4           HB2      ASN   4   3.617  10.978  -0.813
   15    HB3  ASN   4           HB3      ASN   4   3.719  11.946   0.664
   16   HD21  ASN   4          HD21      ASN   4   5.703  10.730   1.099
   17   HD22  ASN   4          HD22      ASN   4   5.583   9.138   1.823
   18    H    VAL   5           H        VAL   5  -0.475  12.175   0.994
   19    HA   VAL   5           HA       VAL   5  -0.119  11.675   3.889
   20    HB   VAL   5           HB       VAL   5   0.885  13.898   3.348
   21   HG11  VAL   5          HG11      VAL   5  -0.593  14.440   1.431
   22   HG12  VAL   5          HG12      VAL   5  -1.947  14.694   2.562
   23   HG13  VAL   5          HG13      VAL   5  -0.512  15.743   2.634
   24   HG21  VAL   5          HG21      VAL   5  -0.007  13.555   5.563
   25   HG22  VAL   5          HG22      VAL   5  -0.404  15.193   5.040
   26   HG23  VAL   5          HG23      VAL   5  -1.662  13.925   5.016
   27    H    THR   6           H        THR   6  -2.024  11.239   4.916
   28    HA   THR   6           HA       THR   6  -4.557  11.733   3.490
   29    HB   THR   6           HB       THR   6  -5.213   9.354   3.581
   30    HG1  THR   6           HG1      THR   6  -3.802   8.712   5.262
   31   HG21  THR   6          HG21      THR   6  -2.547   9.598   2.155
   32   HG22  THR   6          HG22      THR   6  -3.888   8.492   1.782
   33   HG23  THR   6          HG23      THR   6  -4.096  10.239   1.523
   34    H    ASN   7           H        ASN   7  -3.018  12.170   6.290
   35    HA   ASN   7           HA       ASN   7  -5.148  11.009   7.988
   36    HB2  ASN   7           HB2      ASN   7  -2.722  10.550   8.430
   37    HB3  ASN   7           HB3      ASN   7  -2.534  12.255   8.865
   38   HD21  ASN   7          HD21      ASN   7  -1.816  11.424  10.931
   39   HD22  ASN   7          HD22      ASN   7  -2.986  10.904  12.129
   40    H    LYS   8           H        LYS   8  -5.467  13.500   6.282
   41    HA   LYS   8           HA       LYS   8  -5.725  15.692   8.190
   42    HB2  LYS   8           HB2      LYS   8  -6.584  15.208   5.330
   43    HB3  LYS   8           HB3      LYS   8  -7.189  16.595   6.233
   44    HG2  LYS   8           HG2      LYS   8  -5.254  17.167   4.847
   45    HG3  LYS   8           HG3      LYS   8  -4.975  17.493   6.550
   46    HD2  LYS   8           HD2      LYS   8  -4.049  14.887   5.316
   47    HD3  LYS   8           HD3      LYS   8  -3.115  16.367   5.077
   48    HE2  LYS   8           HE2      LYS   8  -3.843  15.261   7.824
   49    HE3  LYS   8           HE3      LYS   8  -2.305  14.994   7.002
   50    HZ1  LYS   8           HZ1      LYS   8  -2.185  16.830   8.523
   51    HZ2  LYS   8           HZ2      LYS   8  -1.958  17.363   6.987
   52    HZ3  LYS   8           HZ3      LYS   8  -3.390  17.629   7.742
   53    H    THR   9           H        THR   9  -7.818  16.711   8.716
   54    HA   THR   9           HA       THR   9  -9.949  14.668   9.073
   55    HB   THR   9           HB       THR   9 -10.251  15.420  11.412
   56    HG1  THR   9           HG1      THR   9  -9.221  17.419  11.296
   57   HG21  THR   9          HG21      THR   9  -8.339  14.204  12.326
   58   HG22  THR   9          HG22      THR   9  -8.920  13.393  10.857
   59   HG23  THR   9          HG23      THR   9  -7.452  14.384  10.795
   60    H    ASP  10           H        ASP  10  -9.677  16.963   7.207
   61    HA   ASP  10           HA       ASP  10 -11.405  19.058   8.139
   62    HB2  ASP  10           HB2      ASP  10 -10.576  18.199   5.343
   63    HB3  ASP  10           HB3      ASP  10 -11.421  19.698   5.731
   64    HA   PRO  11           HA       PRO  11 -15.353  17.306   7.730
   65    HB2  PRO  11           HB2      PRO  11 -16.888  19.385   6.764
   66    HB3  PRO  11           HB3      PRO  11 -16.198  19.338   8.423
   67    HG2  PRO  11           HG2      PRO  11 -15.067  20.687   5.952
   68    HG3  PRO  11           HG3      PRO  11 -15.307  21.396   7.587
   69    HD2  PRO  11           HD2      PRO  11 -12.897  20.425   6.835
   70    HD3  PRO  11           HD3      PRO  11 -13.510  20.119   8.491
   71    H    ARG  12           H        ARG  12 -13.618  18.112   4.917
   72    HA   ARG  12           HA       ARG  12 -15.602  16.598   3.295
   73    HB2  ARG  12           HB2      ARG  12 -15.180  18.000   1.377
   74    HB3  ARG  12           HB3      ARG  12 -15.743  18.957   2.750
   75    HG2  ARG  12           HG2      ARG  12 -14.048  20.272   1.874
   76    HG3  ARG  12           HG3      ARG  12 -13.229  19.446   3.208
   77    HD2  ARG  12           HD2      ARG  12 -12.241  17.836   1.598
   78    HD3  ARG  12           HD3      ARG  12 -13.139  18.615   0.276
   79    HE   ARG  12           HE       ARG  12 -11.495  20.486   1.757
   80   HH11  ARG  12          HH11      ARG  12 -11.428  18.039  -0.790
   81   HH12  ARG  12          HH12      ARG  12 -10.010  18.713  -1.559
   82   HH21  ARG  12          HH21      ARG  12  -9.662  21.349   0.729
   83   HH22  ARG  12          HH22      ARG  12  -9.022  20.588  -0.712
   84    H    SER  13           H        SER  13 -12.483  16.607   4.565
   85    HA   SER  13           HA       SER  13 -11.431  15.008   2.300
   86    HB2  SER  13           HB2      SER  13  -9.302  15.144   3.372
   87    HB3  SER  13           HB3      SER  13 -10.011  16.770   3.350
   88    HG   SER  13           HG       SER  13  -9.117  16.215   5.375
   89    H    MET  14           H        MET  14 -12.677  14.717   5.590
   90    HA   MET  14           HA       MET  14 -11.783  12.034   6.091
   91    HB2  MET  14           HB2      MET  14 -13.954  13.864   7.170
   92    HB3  MET  14           HB3      MET  14 -13.814  12.199   7.754
   93    HG2  MET  14           HG2      MET  14 -11.239  13.605   7.653
   94    HG3  MET  14           HG3      MET  14 -12.404  14.404   8.706
   95    HE1  MET  14           HE1      MET  14 -11.427   9.912   9.330
   96    HE2  MET  14           HE2      MET  14 -12.894  10.446   8.489
   97    HE3  MET  14           HE3      MET  14 -11.306  10.758   7.763
   98    H    ASN  15           H        ASN  15 -14.386  13.358   4.168
   99    HA   ASN  15           HA       ASN  15 -15.513  10.624   3.827
  100    HB2  ASN  15           HB2      ASN  15 -17.499  11.966   2.853
  101    HB3  ASN  15           HB3      ASN  15 -17.254  11.933   4.606
  102   HD21  ASN  15          HD21      ASN  15 -16.451  13.788   5.696
  103   HD22  ASN  15          HD22      ASN  15 -16.556  15.371   4.957
  104    H    SER  16           H        SER  16 -13.283  12.571   2.481
  105    HA   SER  16           HA       SER  16 -13.880  11.673  -0.299
  106    HB2  SER  16           HB2      SER  16 -13.512  14.074  -0.095
  107    HB3  SER  16           HB3      SER  16 -12.005  13.798   0.808
  108    HG   SER  16           HG       SER  16 -12.528  12.965  -1.848
  109    H    ARG  17           H        ARG  17 -12.547  10.465   2.390
  110    HA   ARG  17           HA       ARG  17 -10.077   9.460   1.056
  111    HB2  ARG  17           HB2      ARG  17  -9.749  10.843   3.034
  112    HB3  ARG  17           HB3      ARG  17 -10.714   9.719   4.012
  113    HG2  ARG  17           HG2      ARG  17  -9.103   7.967   3.750
  114    HG3  ARG  17           HG3      ARG  17  -8.312   8.804   2.390
  115    HD2  ARG  17           HD2      ARG  17  -6.966   9.041   4.385
  116    HD3  ARG  17           HD3      ARG  17  -7.607  10.616   3.867
  117    HE   ARG  17           HE       ARG  17  -8.760   8.984   6.086
  118   HH11  ARG  17          HH11      ARG  17  -8.090  12.154   4.630
  119   HH12  ARG  17          HH12      ARG  17  -8.432  13.018   6.111
  120   HH21  ARG  17          HH21      ARG  17  -9.108  10.187   8.023
  121   HH22  ARG  17          HH22      ARG  17  -9.036  11.937   7.973
  122    H    VAL  18           H        VAL  18  -9.512   7.325   1.221
  123    HA   VAL  18           HA       VAL  18 -11.809   5.455   1.609
  124    HB   VAL  18           HB       VAL  18  -9.364   5.154  -0.181
  125   HG11  VAL  18          HG11      VAL  18 -10.693   3.350  -1.207
  126   HG12  VAL  18          HG12      VAL  18 -10.363   3.044   0.508
  127   HG13  VAL  18          HG13      VAL  18 -11.972   3.618   0.001
  128   HG21  VAL  18          HG21      VAL  18 -10.887   5.568  -2.068
  129   HG22  VAL  18          HG22      VAL  18 -12.195   5.991  -0.931
  130   HG23  VAL  18          HG23      VAL  18 -10.734   7.005  -1.043
  131    H    PHE  19           H        PHE  19 -11.579   3.891   3.103
  132    HA   PHE  19           HA       PHE  19  -8.882   3.362   4.236
  133    HB2  PHE  19           HB2      PHE  19 -10.625   3.921   5.841
  134    HB3  PHE  19           HB3      PHE  19 -11.693   2.699   5.155
  135    HD1  PHE  19           HD2      PHE  19  -8.040   2.515   6.095
  136    HD2  PHE  19           HD1      PHE  19 -12.040   1.095   6.785
  137    HE1  PHE  19           HE2      PHE  19  -7.167   0.821   7.676
  138    HE2  PHE  19           HE1      PHE  19 -11.167  -0.591   8.383
  139    HZ   PHE  19           HZ       PHE  19  -8.727  -0.737   8.820
  140    H    ILE  20           H        ILE  20  -7.874   1.442   3.749
  141    HA   ILE  20           HA       ILE  20  -9.449  -0.587   2.209
  142    HB   ILE  20           HB       ILE  20  -6.560   0.266   1.795
  143   HG12  ILE  20          HG12      ILE  20  -8.937   0.733  -0.049
  144   HG13  ILE  20          HG13      ILE  20  -8.317   1.957   1.065
  145   HG21  ILE  20          HG21      ILE  20  -7.037  -2.128   1.295
  146   HG22  ILE  20          HG22      ILE  20  -8.352  -1.634   0.211
  147   HG23  ILE  20          HG23      ILE  20  -6.666  -1.220  -0.178
  148   HD11  ILE  20          HD11      ILE  20  -6.094   1.849  -0.009
  149   HD12  ILE  20          HD12      ILE  20  -6.705   0.647  -1.168
  150   HD13  ILE  20          HD13      ILE  20  -7.364   2.293  -1.168
  151    H    GLY  21           H        GLY  21  -9.814  -1.926   3.939
  152    HA2  GLY  21           HA2      GLY  21  -7.528  -2.703   5.657
  153    HA3  GLY  21           HA3      GLY  21  -9.238  -3.001   5.978
  154    H    ASN  22           H        ASN  22  -7.657  -5.028   6.434
  155    HA   ASN  22           HA       ASN  22  -7.168  -7.152   6.057
  156    HB2  ASN  22           HB2      ASN  22  -9.688  -7.070   5.842
  157    HB3  ASN  22           HB3      ASN  22  -9.469  -7.212   4.091
  158   HD21  ASN  22          HD21      ASN  22  -8.843  -9.226   3.209
  159   HD22  ASN  22          HD22      ASN  22  -8.763 -10.688   4.169
  160    H    LEU  23           H        LEU  23  -6.067  -5.033   4.094
  161    HA   LEU  23           HA       LEU  23  -5.703  -6.358   1.577
  162    HB2  LEU  23           HB2      LEU  23  -5.648  -3.913   1.941
  163    HB3  LEU  23           HB3      LEU  23  -4.185  -4.083   2.911
  164    HG   LEU  23           HG       LEU  23  -2.941  -4.881   0.933
  165   HD11  LEU  23          HD11      LEU  23  -5.558  -4.408  -0.560
  166   HD12  LEU  23          HD12      LEU  23  -3.986  -4.775  -1.308
  167   HD13  LEU  23          HD13      LEU  23  -4.777  -5.993  -0.304
  168   HD21  LEU  23          HD21      LEU  23  -3.045  -2.472   1.398
  169   HD22  LEU  23          HD22      LEU  23  -4.569  -2.342   0.497
  170   HD23  LEU  23          HD23      LEU  23  -3.071  -2.747  -0.362
  171    H    ASN  24           H        ASN  24  -3.721  -7.272   0.711
  172    HA   ASN  24           HA       ASN  24  -2.563  -9.187   2.474
  173    HB2  ASN  24           HB2      ASN  24  -1.208  -9.801   0.575
  174    HB3  ASN  24           HB3      ASN  24  -2.857  -9.491   0.033
  175   HD21  ASN  24          HD21      ASN  24   0.176  -9.172  -0.988
  176   HD22  ASN  24          HD22      ASN  24   0.062  -7.672  -1.891
  177    H    THR  25           H        THR  25  -1.372  -6.134   1.129
  178    HA   THR  25           HA       THR  25   0.339  -4.789   1.498
  179    HB   THR  25           HB       THR  25   0.764  -4.136   3.766
  180    HG1  THR  25           HG1      THR  25  -0.410  -6.637   4.367
  181   HG21  THR  25          HG21      THR  25  -2.116  -5.083   3.517
  182   HG22  THR  25          HG22      THR  25  -1.519  -3.684   4.432
  183   HG23  THR  25          HG23      THR  25  -1.455  -3.666   2.655
  184    H    LEU  26           H        LEU  26   1.123  -8.052   1.759
  185    HA   LEU  26           HA       LEU  26   3.931  -7.407   2.474
  186    HB2  LEU  26           HB2      LEU  26   2.822 -10.125   1.757
  187    HB3  LEU  26           HB3      LEU  26   4.351  -9.731   2.532
  188    HG   LEU  26           HG       LEU  26   1.577  -9.831   3.685
  189   HD11  LEU  26          HD11      LEU  26   3.043 -11.751   3.902
  190   HD12  LEU  26          HD12      LEU  26   4.375 -10.731   4.500
  191   HD13  LEU  26          HD13      LEU  26   2.946 -10.964   5.506
  192   HD21  LEU  26          HD21      LEU  26   2.252  -8.703   5.719
  193   HD22  LEU  26          HD22      LEU  26   2.351  -7.562   4.381
  194   HD23  LEU  26          HD23      LEU  26   3.845  -8.295   5.016
  195    H    VAL  27           H        VAL  27   1.972  -7.561  -0.292
  196    HA   VAL  27           HA       VAL  27   4.393  -7.840  -2.002
  197    HB   VAL  27           HB       VAL  27   1.658  -8.950  -2.732
  198   HG11  VAL  27          HG11      VAL  27   4.463  -9.348  -3.868
  199   HG12  VAL  27          HG12      VAL  27   3.009 -10.218  -4.405
  200   HG13  VAL  27          HG13      VAL  27   3.128  -8.467  -4.642
  201   HG21  VAL  27          HG21      VAL  27   4.077 -10.406  -1.588
  202   HG22  VAL  27          HG22      VAL  27   2.487 -10.225  -0.796
  203   HG23  VAL  27          HG23      VAL  27   2.638 -11.188  -2.276
  204    H    VAL  28           H        VAL  28   1.517  -6.077  -1.146
  205    HA   VAL  28           HA       VAL  28   1.492  -4.567  -3.663
  206    HB   VAL  28           HB       VAL  28  -0.486  -5.211  -1.945
  207   HG11  VAL  28          HG11      VAL  28   0.205  -2.344  -1.211
  208   HG12  VAL  28          HG12      VAL  28  -1.109  -3.351  -0.561
  209   HG13  VAL  28          HG13      VAL  28   0.581  -3.736  -0.167
  210   HG21  VAL  28          HG21      VAL  28  -0.769  -4.224  -4.186
  211   HG22  VAL  28          HG22      VAL  28  -1.845  -3.481  -2.988
  212   HG23  VAL  28          HG23      VAL  28  -0.381  -2.618  -3.529
  213    H    LYS  29           H        LYS  29   1.820  -2.196  -3.629
  214    HA   LYS  29           HA       LYS  29   3.419  -1.164  -1.371
  215    HB2  LYS  29           HB2      LYS  29   4.900  -0.093  -3.288
  216    HB3  LYS  29           HB3      LYS  29   5.287  -1.668  -2.622
  217    HG2  LYS  29           HG2      LYS  29   3.438  -1.594  -4.993
  218    HG3  LYS  29           HG3      LYS  29   5.143  -1.216  -5.260
  219    HD2  LYS  29           HD2      LYS  29   5.896  -3.311  -4.465
  220    HD3  LYS  29           HD3      LYS  29   4.354  -3.685  -3.686
  221    HE2  LYS  29           HE2      LYS  29   4.640  -4.981  -5.758
  222    HE3  LYS  29           HE3      LYS  29   3.245  -3.894  -5.830
  223    HZ1  LYS  29           HZ1      LYS  29   4.597  -3.872  -7.842
  224    HZ2  LYS  29           HZ2      LYS  29   4.500  -2.395  -7.143
  225    HZ3  LYS  29           HZ3      LYS  29   5.883  -3.288  -6.997
  226    H    LYS  30           H        LYS  30   3.844   1.271  -1.789
  227    HA   LYS  30           HA       LYS  30   1.312   2.556  -2.030
  228    HB2  LYS  30           HB2      LYS  30   3.128   3.534  -0.753
  229    HB3  LYS  30           HB3      LYS  30   4.150   3.649  -2.206
  230    HG2  LYS  30           HG2      LYS  30   2.622   5.225  -3.242
  231    HG3  LYS  30           HG3      LYS  30   1.442   5.004  -1.928
  232    HD2  LYS  30           HD2      LYS  30   3.030   5.971  -0.322
  233    HD3  LYS  30           HD3      LYS  30   4.245   6.166  -1.613
  234    HE2  LYS  30           HE2      LYS  30   1.462   7.389  -1.652
  235    HE3  LYS  30           HE3      LYS  30   2.914   8.250  -1.107
  236    HZ1  LYS  30           HZ1      LYS  30   3.847   7.902  -3.309
  237    HZ2  LYS  30           HZ2      LYS  30   2.482   7.141  -3.807
  238    HZ3  LYS  30           HZ3      LYS  30   2.429   8.727  -3.406
  239    H    SER  31           H        SER  31   3.818   1.810  -4.419
  240    HA   SER  31           HA       SER  31   2.761   3.603  -6.431
  241    HB2  SER  31           HB2      SER  31   4.431   2.469  -7.881
  242    HB3  SER  31           HB3      SER  31   5.131   3.050  -6.356
  243    HG   SER  31           HG       SER  31   5.749   0.905  -6.861
  244    H    ASP  32           H        ASP  32   1.726   0.605  -5.186
  245    HA   ASP  32           HA       ASP  32   0.402  -0.172  -7.713
  246    HB2  ASP  32           HB2      ASP  32   1.061  -1.504  -5.098
  247    HB3  ASP  32           HB3      ASP  32  -0.360  -2.055  -5.966
  248    H    VAL  33           H        VAL  33  -0.285   0.935  -4.347
  249    HA   VAL  33           HA       VAL  33  -3.141   0.690  -4.710
  250    HB   VAL  33           HB       VAL  33  -1.507   2.242  -2.665
  251   HG11  VAL  33          HG11      VAL  33  -4.458   1.469  -2.712
  252   HG12  VAL  33          HG12      VAL  33  -3.605   2.185  -1.328
  253   HG13  VAL  33          HG13      VAL  33  -3.807   3.125  -2.813
  254   HG21  VAL  33          HG21      VAL  33  -1.113  -0.191  -2.611
  255   HG22  VAL  33          HG22      VAL  33  -2.103   0.294  -1.219
  256   HG23  VAL  33          HG23      VAL  33  -2.865  -0.495  -2.613
  257    H    GLU  34           H        GLU  34  -0.779   3.355  -5.239
  258    HA   GLU  34           HA       GLU  34  -2.899   5.210  -5.912
  259    HB2  GLU  34           HB2      GLU  34  -1.184   6.730  -6.508
  260    HB3  GLU  34           HB3      GLU  34  -0.632   5.870  -5.057
  261    HG2  GLU  34           HG2      GLU  34   0.739   4.370  -6.530
  262    HG3  GLU  34           HG3      GLU  34   0.215   5.310  -7.930
  263    H    ALA  35           H        ALA  35  -2.000   2.433  -7.435
  264    HA   ALA  35           HA       ALA  35  -2.537   3.547 -10.150
  265    HB1  ALA  35           HB1      ALA  35  -0.301   2.533  -9.865
  266    HB2  ALA  35           HB2      ALA  35  -1.058   1.017  -9.326
  267    HB3  ALA  35           HB3      ALA  35  -1.309   1.591 -10.990
  268    H    ILE  36           H        ILE  36  -3.847   1.733  -7.578
  269    HA   ILE  36           HA       ILE  36  -5.639   0.173  -9.373
  270    HB   ILE  36           HB       ILE  36  -4.904  -0.039  -6.441
  271   HG12  ILE  36          HG12      ILE  36  -4.604  -2.121  -8.638
  272   HG13  ILE  36          HG13      ILE  36  -3.371  -0.884  -8.382
  273   HG21  ILE  36          HG21      ILE  36  -6.895  -1.709  -8.042
  274   HG22  ILE  36          HG22      ILE  36  -6.318  -2.088  -6.404
  275   HG23  ILE  36          HG23      ILE  36  -7.285  -0.636  -6.674
  276   HD11  ILE  36          HD11      ILE  36  -3.189  -1.584  -5.987
  277   HD12  ILE  36          HD12      ILE  36  -4.310  -2.926  -6.328
  278   HD13  ILE  36          HD13      ILE  36  -2.731  -2.856  -7.140
  279    H    PHE  37           H        PHE  37  -5.527   2.932  -7.211
  280    HA   PHE  37           HA       PHE  37  -8.506   3.046  -7.237
  281    HB2  PHE  37           HB2      PHE  37  -6.439   4.145  -5.316
  282    HB3  PHE  37           HB3      PHE  37  -8.134   4.643  -5.307
  283    HD1  PHE  37           HD1      PHE  37  -6.032   1.519  -5.198
  284    HD2  PHE  37           HD2      PHE  37  -9.670   3.490  -4.020
  285    HE1  PHE  37           HE1      PHE  37  -6.658  -0.455  -3.857
  286    HE2  PHE  37           HE2      PHE  37 -10.308   1.498  -2.681
  287    HZ   PHE  37           HZ       PHE  37  -8.783  -0.479  -2.588
  288    H    SER  38           H        SER  38  -5.769   4.386  -8.756
  289    HA   SER  38           HA       SER  38  -6.823   7.085  -8.975
  290    HB2  SER  38           HB2      SER  38  -4.412   6.586  -9.032
  291    HB3  SER  38           HB3      SER  38  -4.630   5.705 -10.561
  292    HG   SER  38           HG       SER  38  -5.461   7.681 -11.430
  293    H    LYS  39           H        LYS  39  -7.850   4.187 -10.331
  294    HA   LYS  39           HA       LYS  39  -8.657   5.407 -12.892
  295    HB2  LYS  39           HB2      LYS  39  -9.441   3.221 -13.505
  296    HB3  LYS  39           HB3      LYS  39  -7.786   3.097 -12.884
  297    HG2  LYS  39           HG2      LYS  39  -8.571   2.216 -10.764
  298    HG3  LYS  39           HG3      LYS  39 -10.266   2.567 -11.188
  299    HD2  LYS  39           HD2      LYS  39 -10.136   1.017 -13.088
  300    HD3  LYS  39           HD3      LYS  39  -8.461   0.600 -12.657
  301    HE2  LYS  39           HE2      LYS  39 -10.870   0.256 -10.821
  302    HE3  LYS  39           HE3      LYS  39 -10.222  -1.034 -11.851
  303    HZ1  LYS  39           HZ1      LYS  39  -8.731   0.351  -9.723
  304    HZ2  LYS  39           HZ2      LYS  39  -9.357  -1.154  -9.616
  305    HZ3  LYS  39           HZ3      LYS  39  -8.141  -0.849 -10.684
  306    H    TYR  40           H        TYR  40  -9.808   5.465  -9.777
  307    HA   TYR  40           HA       TYR  40 -12.642   5.657 -10.689
  308    HB2  TYR  40           HB2      TYR  40 -11.348   4.482  -8.254
  309    HB3  TYR  40           HB3      TYR  40 -12.908   5.277  -8.058
  310    HD1  TYR  40           HD1      TYR  40 -14.783   4.581  -9.757
  311    HD2  TYR  40           HD2      TYR  40 -11.315   2.206  -8.844
  312    HE1  TYR  40           HE1      TYR  40 -15.995   2.546 -10.488
  313    HE2  TYR  40           HE2      TYR  40 -12.527   0.166  -9.589
  314    HH   TYR  40           HH       TYR  40 -15.882   0.285 -10.831
  315    H    GLY  41           H        GLY  41  -9.969   7.500  -9.754
  316    HA2  GLY  41           HA2      GLY  41 -11.392   9.906  -9.690
  317    HA3  GLY  41           HA3      GLY  41 -11.221   9.382  -8.008
  318    H    LYS  42           H        LYS  42 -10.081  11.743  -8.711
  319    HA   LYS  42           HA       LYS  42  -7.265  11.349  -9.388
  320    HB2  LYS  42           HB2      LYS  42  -8.298  13.385 -10.167
  321    HB3  LYS  42           HB3      LYS  42  -8.941  13.744  -8.554
  322    HG2  LYS  42           HG2      LYS  42  -6.994  15.157  -9.049
  323    HG3  LYS  42           HG3      LYS  42  -6.703  14.096  -7.668
  324    HD2  LYS  42           HD2      LYS  42  -5.479  12.515  -9.252
  325    HD3  LYS  42           HD3      LYS  42  -5.647  13.771 -10.503
  326    HE2  LYS  42           HE2      LYS  42  -4.502  15.385  -8.985
  327    HE3  LYS  42           HE3      LYS  42  -4.318  14.106  -7.777
  328    HZ1  LYS  42           HZ1      LYS  42  -2.995  12.883  -9.359
  329    HZ2  LYS  42           HZ2      LYS  42  -3.168  14.067 -10.487
  330    HZ3  LYS  42           HZ3      LYS  42  -2.338  14.370  -9.101
  331    H    ILE  43           H        ILE  43  -5.891  10.526  -7.919
  332    HA   ILE  43           HA       ILE  43  -6.419  10.849  -5.051
  333    HB   ILE  43           HB       ILE  43  -4.185   9.482  -6.598
  334   HG12  ILE  43          HG12      ILE  43  -6.649   8.426  -5.157
  335   HG13  ILE  43          HG13      ILE  43  -6.378   8.422  -6.911
  336   HG21  ILE  43          HG21      ILE  43  -4.862   9.411  -3.627
  337   HG22  ILE  43          HG22      ILE  43  -3.575   8.476  -4.430
  338   HG23  ILE  43          HG23      ILE  43  -3.455  10.236  -4.351
  339   HD11  ILE  43          HD11      ILE  43  -5.975   6.206  -6.008
  340   HD12  ILE  43          HD12      ILE  43  -4.438   6.896  -6.594
  341   HD13  ILE  43          HD13      ILE  43  -4.790   6.832  -4.854
  342    H    VAL  44           H        VAL  44  -5.623  12.460  -3.852
  343    HA   VAL  44           HA       VAL  44  -3.335  14.031  -4.941
  344    HB   VAL  44           HB       VAL  44  -4.268  15.910  -3.515
  345   HG11  VAL  44          HG11      VAL  44  -5.976  14.870  -5.805
  346   HG12  VAL  44          HG12      VAL  44  -5.834  16.565  -5.274
  347   HG13  VAL  44          HG13      VAL  44  -4.437  15.747  -5.996
  348   HG21  VAL  44          HG21      VAL  44  -5.834  14.513  -2.140
  349   HG22  VAL  44          HG22      VAL  44  -6.668  15.834  -2.991
  350   HG23  VAL  44          HG23      VAL  44  -6.781  14.178  -3.608
  351    H    GLY  45           H        GLY  45  -4.061  11.706  -2.763
  352    HA2  GLY  45           HA2      GLY  45  -1.514  12.015  -1.475
  353    HA3  GLY  45           HA3      GLY  45  -2.844  12.357  -0.351
  354    H    CYS  46           H        CYS  46  -0.887   9.949  -0.631
  355    HA   CYS  46           HA       CYS  46  -2.917   7.937  -0.068
  356    HB2  CYS  46           HB2      CYS  46  -2.014   6.347  -1.812
  357    HB3  CYS  46           HB3      CYS  46  -2.935   7.715  -2.469
  358    HG   CYS  46           HG       CYS  46  -0.901   7.206  -4.018
  359    H    SER  47           H        SER  47  -2.044   6.051   0.904
  360    HA   SER  47           HA       SER  47   0.834   5.840   1.333
  361    HB2  SER  47           HB2      SER  47   0.152   7.564   3.002
  362    HB3  SER  47           HB3      SER  47  -1.028   6.420   3.676
  363    HG   SER  47           HG       SER  47   1.035   6.430   4.760
  364    H    VAL  48           H        VAL  48   1.350   3.858   2.567
  365    HA   VAL  48           HA       VAL  48  -0.874   1.897   2.688
  366    HB   VAL  48           HB       VAL  48   1.764   1.488   1.245
  367   HG11  VAL  48          HG11      VAL  48   0.810  -0.738   0.651
  368   HG12  VAL  48          HG12      VAL  48   1.089  -0.570   2.396
  369   HG13  VAL  48          HG13      VAL  48  -0.557  -0.430   1.744
  370   HG21  VAL  48          HG21      VAL  48   0.195   2.772  -0.107
  371   HG22  VAL  48          HG22      VAL  48   0.279   1.114  -0.734
  372   HG23  VAL  48          HG23      VAL  48  -1.111   1.628   0.258
  373    H    HIS  49           H        HIS  49  -0.539   0.217   4.166
  374    HA   HIS  49           HA       HIS  49   1.801   0.442   5.974
  375    HB2  HIS  49           HB2      HIS  49  -1.067   0.347   6.951
  376    HB3  HIS  49           HB3      HIS  49   0.393   0.656   7.894
  377    HD2  HIS  49           HD3      HIS  49  -2.051   2.321   5.417
  378    HE1  HIS  49           HE1      HIS  49   0.316   5.456   7.029
  379    HE2  HIS  49           HE2      HIS  49  -1.694   4.914   5.581
  380    H    LYS  50           H        LYS  50   1.322  -1.431   7.790
  381    HA   LYS  50           HA       LYS  50   0.929  -3.906   6.257
  382    HB2  LYS  50           HB2      LYS  50   1.779  -3.208   9.069
  383    HB3  LYS  50           HB3      LYS  50   1.296  -4.862   8.659
  384    HG2  LYS  50           HG2      LYS  50   2.981  -5.047   6.954
  385    HG3  LYS  50           HG3      LYS  50   3.400  -3.328   7.079
  386    HD2  LYS  50           HD2      LYS  50   4.414  -3.591   9.193
  387    HD3  LYS  50           HD3      LYS  50   3.602  -5.129   9.502
  388    HE2  LYS  50           HE2      LYS  50   4.966  -6.266   7.817
  389    HE3  LYS  50           HE3      LYS  50   5.689  -4.721   7.318
  390    HZ1  LYS  50           HZ1      LYS  50   7.107  -5.956   8.791
  391    HZ2  LYS  50           HZ2      LYS  50   6.644  -4.553   9.511
  392    HZ3  LYS  50           HZ3      LYS  50   5.950  -5.975   9.965
  393    H    GLY  51           H        GLY  51  -0.861  -5.052   6.113
  394    HA2  GLY  51           HA2      GLY  51  -2.918  -5.951   6.612
  395    HA3  GLY  51           HA3      GLY  51  -2.935  -5.039   8.133
  396    H    PHE  52           H        PHE  52  -2.419  -2.479   6.290
  397    HA   PHE  52           HA       PHE  52  -5.021  -2.284   4.959
  398    HB2  PHE  52           HB2      PHE  52  -5.787  -0.381   6.282
  399    HB3  PHE  52           HB3      PHE  52  -5.632  -1.817   7.288
  400    HD1  PHE  52           HD2      PHE  52  -3.786  -2.016   8.932
  401    HD2  PHE  52           HD1      PHE  52  -4.416   1.573   6.642
  402    HE1  PHE  52           HE2      PHE  52  -2.308  -0.762  10.484
  403    HE2  PHE  52           HE1      PHE  52  -2.940   2.815   8.184
  404    HZ   PHE  52           HZ       PHE  52  -1.875   1.644  10.111
  405    H    ALA  53           H        ALA  53  -5.329  -0.007   4.047
  406    HA   ALA  53           HA       ALA  53  -2.865   1.564   3.689
  407    HB1  ALA  53           HB1      ALA  53  -4.397   0.299   1.374
  408    HB2  ALA  53           HB2      ALA  53  -3.098   1.502   1.221
  409    HB3  ALA  53           HB3      ALA  53  -2.745  -0.106   1.888
  410    H    PHE  54           H        PHE  54  -3.401   3.583   2.335
  411    HA   PHE  54           HA       PHE  54  -6.224   4.421   2.711
  412    HB2  PHE  54           HB2      PHE  54  -3.792   5.567   4.040
  413    HB3  PHE  54           HB3      PHE  54  -5.037   6.675   3.469
  414    HD1  PHE  54           HD1      PHE  54  -7.443   6.309   4.154
  415    HD2  PHE  54           HD2      PHE  54  -4.112   4.456   6.153
  416    HE1  PHE  54           HE1      PHE  54  -8.865   5.897   6.141
  417    HE2  PHE  54           HE2      PHE  54  -5.537   4.044   8.134
  418    HZ   PHE  54           HZ       PHE  54  -7.912   4.769   8.131
  419    H    VAL  55           H        VAL  55  -6.975   5.964   1.349
  420    HA   VAL  55           HA       VAL  55  -5.125   7.214  -0.604
  421    HB   VAL  55           HB       VAL  55  -7.635   5.636  -1.323
  422   HG11  VAL  55          HG11      VAL  55  -5.808   7.390  -3.005
  423   HG12  VAL  55          HG12      VAL  55  -7.075   6.315  -3.655
  424   HG13  VAL  55          HG13      VAL  55  -7.515   7.697  -2.635
  425   HG21  VAL  55          HG21      VAL  55  -5.655   4.206  -1.008
  426   HG22  VAL  55          HG22      VAL  55  -6.070   4.327  -2.730
  427   HG23  VAL  55          HG23      VAL  55  -4.706   5.264  -2.076
  428    H    GLN  56           H        GLN  56  -5.518   9.329  -0.663
  429    HA   GLN  56           HA       GLN  56  -8.106  10.353   0.371
  430    HB2  GLN  56           HB2      GLN  56  -6.129  11.040   1.596
  431    HB3  GLN  56           HB3      GLN  56  -5.348  11.594   0.097
  432    HG2  GLN  56           HG2      GLN  56  -6.152  13.532   1.220
  433    HG3  GLN  56           HG3      GLN  56  -7.212  13.273  -0.171
  434   HE21  GLN  56          HE21      GLN  56  -9.407  12.815   0.175
  435   HE22  GLN  56          HE22      GLN  56 -10.129  12.764   1.777
  436    H    TYR  57           H        TYR  57  -9.509  11.039  -1.213
  437    HA   TYR  57           HA       TYR  57  -8.465  11.726  -3.900
  438    HB2  TYR  57           HB2      TYR  57 -11.263  11.252  -2.817
  439    HB3  TYR  57           HB3      TYR  57 -10.920  11.776  -4.458
  440    HD1  TYR  57           HD2      TYR  57  -8.807  10.246  -5.497
  441    HD2  TYR  57           HD1      TYR  57 -11.856   9.024  -2.730
  442    HE1  TYR  57           HE2      TYR  57  -8.648   7.922  -6.362
  443    HE2  TYR  57           HE1      TYR  57 -11.740   6.694  -3.648
  444    HH   TYR  57           HH       TYR  57 -10.743   5.304  -5.101
  445    H    VAL  58           H        VAL  58 -10.207  13.502  -4.876
  446    HA   VAL  58           HA       VAL  58  -9.484  15.960  -3.459
  447    HB   VAL  58           HB       VAL  58 -10.848  15.435  -6.133
  448   HG11  VAL  58          HG11      VAL  58  -9.777  18.019  -4.920
  449   HG12  VAL  58          HG12      VAL  58 -10.283  17.819  -6.612
  450   HG13  VAL  58          HG13      VAL  58 -11.473  17.661  -5.303
  451   HG21  VAL  58          HG21      VAL  58  -8.486  14.690  -6.035
  452   HG22  VAL  58          HG22      VAL  58  -8.659  16.127  -7.062
  453   HG23  VAL  58          HG23      VAL  58  -8.016  16.289  -5.412
  454    H    ASN  59           H        ASN  59 -12.342  13.953  -4.028
  455    HA   ASN  59           HA       ASN  59 -13.939  15.712  -2.287
  456    HB2  ASN  59           HB2      ASN  59 -15.794  15.833  -3.922
  457    HB3  ASN  59           HB3      ASN  59 -14.336  16.650  -4.503
  458   HD21  ASN  59          HD21      ASN  59 -13.915  16.275  -6.591
  459   HD22  ASN  59          HD22      ASN  59 -14.287  14.789  -7.457
  460    H    GLU  60           H        GLU  60 -16.227  14.710  -2.060
  461    HA   GLU  60           HA       GLU  60 -15.853  12.082  -0.959
  462    HB2  GLU  60           HB2      GLU  60 -17.368  13.549   0.136
  463    HB3  GLU  60           HB3      GLU  60 -18.215  13.939  -1.373
  464    HG2  GLU  60           HG2      GLU  60 -19.204  11.752  -1.503
  465    HG3  GLU  60           HG3      GLU  60 -18.191  11.150  -0.184
  466    H    ARG  61           H        ARG  61 -17.307  13.309  -3.955
  467    HA   ARG  61           HA       ARG  61 -18.742  11.014  -4.755
  468    HB2  ARG  61           HB2      ARG  61 -19.255  12.864  -5.983
  469    HB3  ARG  61           HB3      ARG  61 -17.631  13.515  -5.892
  470    HG2  ARG  61           HG2      ARG  61 -18.044  13.071  -8.178
  471    HG3  ARG  61           HG3      ARG  61 -16.848  11.916  -7.608
  472    HD2  ARG  61           HD2      ARG  61 -18.453  10.705  -8.965
  473    HD3  ARG  61           HD3      ARG  61 -18.727  10.249  -7.274
  474    HE   ARG  61           HE       ARG  61 -20.791  11.327  -7.285
  475   HH11  ARG  61          HH11      ARG  61 -19.038  12.055 -10.270
  476   HH12  ARG  61          HH12      ARG  61 -20.430  12.762 -11.055
  477   HH21  ARG  61          HH21      ARG  61 -22.596  12.243  -8.339
  478   HH22  ARG  61          HH22      ARG  61 -22.436  12.870  -9.961
  479    H    ASN  62           H        ASN  62 -15.299  11.873  -5.175
  480    HA   ASN  62           HA       ASN  62 -14.644   9.643  -6.868
  481    HB2  ASN  62           HB2      ASN  62 -13.111  11.586  -5.132
  482    HB3  ASN  62           HB3      ASN  62 -12.288  10.222  -5.910
  483   HD21  ASN  62          HD21      ASN  62 -14.924  12.423  -7.085
  484   HD22  ASN  62          HD22      ASN  62 -14.062  12.874  -8.549
  485    H    ALA  63           H        ALA  63 -14.804  10.083  -3.314
  486    HA   ALA  63           HA       ALA  63 -13.441   7.601  -2.728
  487    HB1  ALA  63           HB1      ALA  63 -15.353   9.251  -1.033
  488    HB2  ALA  63           HB2      ALA  63 -14.299   7.946  -0.459
  489    HB3  ALA  63           HB3      ALA  63 -13.584   9.444  -1.107
  490    H    ARG  64           H        ARG  64 -16.911   8.528  -3.052
  491    HA   ARG  64           HA       ARG  64 -17.916   5.955  -2.300
  492    HB2  ARG  64           HB2      ARG  64 -19.083   8.001  -4.245
  493    HB3  ARG  64           HB3      ARG  64 -19.986   6.698  -3.475
  494    HG2  ARG  64           HG2      ARG  64 -18.638   8.991  -1.975
  495    HG3  ARG  64           HG3      ARG  64 -20.340   8.948  -2.448
  496    HD2  ARG  64           HD2      ARG  64 -20.689   6.940  -1.071
  497    HD3  ARG  64           HD3      ARG  64 -18.968   6.947  -0.611
  498    HE   ARG  64           HE       ARG  64 -20.028   9.499  -0.025
  499   HH11  ARG  64          HH11      ARG  64 -20.456   6.162   1.086
  500   HH12  ARG  64          HH12      ARG  64 -20.845   6.655   2.722
  501   HH21  ARG  64          HH21      ARG  64 -20.583  10.085   2.067
  502   HH22  ARG  64          HH22      ARG  64 -20.958   8.871   3.273
  503    H    ALA  65           H        ALA  65 -16.424   7.195  -5.231
  504    HA   ALA  65           HA       ALA  65 -17.530   5.272  -7.049
  505    HB1  ALA  65           HB1      ALA  65 -16.493   7.475  -7.673
  506    HB2  ALA  65           HB2      ALA  65 -14.905   6.802  -7.217
  507    HB3  ALA  65           HB3      ALA  65 -15.814   6.094  -8.568
  508    H    ALA  66           H        ALA  66 -14.467   5.369  -5.117
  509    HA   ALA  66           HA       ALA  66 -13.780   2.709  -6.191
  510    HB1  ALA  66           HB1      ALA  66 -12.329   4.499  -4.214
  511    HB2  ALA  66           HB2      ALA  66 -11.686   3.022  -4.967
  512    HB3  ALA  66           HB3      ALA  66 -12.066   4.442  -5.976
  513    H    VAL  67           H        VAL  67 -15.116   4.131  -3.234
  514    HA   VAL  67           HA       VAL  67 -14.708   1.801  -1.590
  515    HB   VAL  67           HB       VAL  67 -16.471   4.264  -1.401
  516   HG11  VAL  67          HG11      VAL  67 -16.360   1.891   0.491
  517   HG12  VAL  67          HG12      VAL  67 -17.026   3.491   0.914
  518   HG13  VAL  67          HG13      VAL  67 -17.785   2.517  -0.364
  519   HG21  VAL  67          HG21      VAL  67 -14.015   4.421  -0.983
  520   HG22  VAL  67          HG22      VAL  67 -14.973   4.741   0.483
  521   HG23  VAL  67          HG23      VAL  67 -14.171   3.176   0.280
  522    H    ALA  68           H        ALA  68 -17.042   2.644  -4.068
  523    HA   ALA  68           HA       ALA  68 -18.486   0.109  -3.439
  524    HB1  ALA  68           HB1      ALA  68 -19.350   2.449  -5.172
  525    HB2  ALA  68           HB2      ALA  68 -20.311   1.001  -4.780
  526    HB3  ALA  68           HB3      ALA  68 -19.875   2.152  -3.499
  527    H    GLY  69           H        GLY  69 -16.105   1.401  -5.532
  528    HA2  GLY  69           HA2      GLY  69 -16.875  -0.300  -7.822
  529    HA3  GLY  69           HA3      GLY  69 -15.572   0.891  -7.749
  530    H    GLU  70           H        GLU  70 -14.376  -0.186  -5.247
  531    HA   GLU  70           HA       GLU  70 -13.102  -2.626  -6.449
  532    HB2  GLU  70           HB2      GLU  70 -11.958  -0.404  -4.729
  533    HB3  GLU  70           HB3      GLU  70 -11.078  -1.871  -5.188
  534    HG2  GLU  70           HG2      GLU  70 -12.234   0.122  -7.178
  535    HG3  GLU  70           HG3      GLU  70 -10.568   0.137  -6.601
  536    H    ASP  71           H        ASP  71 -14.999  -1.528  -3.760
  537    HA   ASP  71           HA       ASP  71 -13.794  -3.056  -1.699
  538    HB2  ASP  71           HB2      ASP  71 -15.439  -1.377  -1.198
  539    HB3  ASP  71           HB3      ASP  71 -16.658  -2.194  -2.173
  540    H    GLY  72           H        GLY  72 -13.687  -5.164  -1.255
  541    HA2  GLY  72           HA2      GLY  72 -14.364  -7.375  -1.144
  542    HA3  GLY  72           HA3      GLY  72 -15.718  -7.029  -2.229
  543    H    ARG  73           H        ARG  73 -12.665  -5.854  -3.423
  544    HA   ARG  73           HA       ARG  73 -12.741  -7.993  -5.451
  545    HB2  ARG  73           HB2      ARG  73 -11.540  -6.639  -6.855
  546    HB3  ARG  73           HB3      ARG  73 -12.581  -5.496  -5.986
  547    HG2  ARG  73           HG2      ARG  73 -10.776  -4.656  -4.690
  548    HG3  ARG  73           HG3      ARG  73  -9.735  -6.042  -5.055
  549    HD2  ARG  73           HD2      ARG  73 -10.713  -4.144  -7.205
  550    HD3  ARG  73           HD3      ARG  73  -9.197  -3.903  -6.315
  551    HE   ARG  73           HE       ARG  73  -9.252  -6.568  -7.297
  552   HH11  ARG  73          HH11      ARG  73  -8.979  -3.264  -8.508
  553   HH12  ARG  73          HH12      ARG  73  -7.997  -3.728  -9.884
  554   HH21  ARG  73          HH21      ARG  73  -7.972  -7.144  -9.083
  555   HH22  ARG  73          HH22      ARG  73  -7.454  -5.925 -10.220
  556    H    MET  74           H        MET  74 -10.710  -9.009  -6.200
  557    HA   MET  74           HA       MET  74  -8.962  -9.599  -3.876
  558    HB2  MET  74           HB2      MET  74  -9.947 -11.544  -4.840
  559    HB3  MET  74           HB3      MET  74  -9.451 -11.075  -6.479
  560    HG2  MET  74           HG2      MET  74  -7.174 -11.465  -6.054
  561    HG3  MET  74           HG3      MET  74  -7.383 -11.386  -4.302
  562    HE1  MET  74           HE1      MET  74  -9.678 -13.193  -3.515
  563    HE2  MET  74           HE2      MET  74  -8.759 -14.685  -3.185
  564    HE3  MET  74           HE3      MET  74  -8.069 -13.092  -2.779
  565    H    ILE  75           H        ILE  75  -6.862  -9.185  -3.817
  566    HA   ILE  75           HA       ILE  75  -5.397  -8.357  -6.238
  567    HB   ILE  75           HB       ILE  75  -5.395  -6.761  -3.644
  568   HG12  ILE  75          HG12      ILE  75  -6.523  -5.972  -6.369
  569   HG13  ILE  75          HG13      ILE  75  -7.500  -6.443  -4.968
  570   HG21  ILE  75          HG21      ILE  75  -4.020  -6.233  -6.310
  571   HG22  ILE  75          HG22      ILE  75  -3.952  -5.199  -4.865
  572   HG23  ILE  75          HG23      ILE  75  -3.226  -6.810  -4.829
  573   HD11  ILE  75          HD11      ILE  75  -7.468  -4.048  -5.083
  574   HD12  ILE  75          HD12      ILE  75  -6.512  -4.548  -3.669
  575   HD13  ILE  75          HD13      ILE  75  -5.693  -4.012  -5.153
  576    H    ALA  76           H        ALA  76  -3.334  -9.185  -6.193
  577    HA   ALA  76           HA       ALA  76  -1.643 -10.544  -5.588
  578    HB1  ALA  76           HB1      ALA  76  -0.526 -10.003  -3.489
  579    HB2  ALA  76           HB2      ALA  76  -1.094  -8.529  -4.299
  580    HB3  ALA  76           HB3      ALA  76  -1.995  -9.176  -2.910
  581    H    GLY  77           H        GLY  77  -4.585 -11.508  -4.809
  582    HA2  GLY  77           HA2      GLY  77  -4.979 -13.841  -4.550
  583    HA3  GLY  77           HA3      GLY  77  -3.534 -13.976  -3.542
  584    H    GLN  78           H        GLN  78  -5.119 -11.197  -2.496
  585    HA   GLN  78           HA       GLN  78  -6.966 -12.688  -0.696
  586    HB2  GLN  78           HB2      GLN  78  -4.978 -10.523   0.097
  587    HB3  GLN  78           HB3      GLN  78  -6.335 -11.056   1.098
  588    HG2  GLN  78           HG2      GLN  78  -5.023 -12.623   1.965
  589    HG3  GLN  78           HG3      GLN  78  -5.073 -13.451   0.401
  590   HE21  GLN  78          HE21      GLN  78  -3.417 -12.574  -1.265
  591   HE22  GLN  78          HE22      GLN  78  -1.819 -12.226  -0.635
  592    H    VAL  79           H        VAL  79  -8.719 -11.419   0.127
  593    HA   VAL  79           HA       VAL  79  -9.485  -9.232  -1.725
  594    HB   VAL  79           HB       VAL  79 -11.098 -10.835   0.286
  595   HG11  VAL  79          HG11      VAL  79 -11.986  -8.679  -1.685
  596   HG12  VAL  79          HG12      VAL  79 -13.075  -9.746  -0.777
  597   HG13  VAL  79          HG13      VAL  79 -12.058  -8.583   0.088
  598   HG21  VAL  79          HG21      VAL  79 -12.184 -11.738  -1.750
  599   HG22  VAL  79          HG22      VAL  79 -11.074 -10.783  -2.766
  600   HG23  VAL  79          HG23      VAL  79 -10.442 -12.095  -1.741
  601    H    LEU  80           H        LEU  80 -10.150  -7.238  -1.000
  602    HA   LEU  80           HA       LEU  80  -9.254  -6.516   1.746
  603    HB2  LEU  80           HB2      LEU  80  -8.951  -4.180   0.496
  604    HB3  LEU  80           HB3      LEU  80  -7.657  -5.337   0.736
  605    HG   LEU  80           HG       LEU  80  -7.627  -4.347  -1.481
  606   HD11  LEU  80          HD11      LEU  80  -7.210  -6.268  -2.759
  607   HD12  LEU  80          HD12      LEU  80  -6.807  -6.708  -1.082
  608   HD13  LEU  80          HD13      LEU  80  -8.316  -7.277  -1.849
  609   HD21  LEU  80          HD21      LEU  80  -9.313  -4.747  -3.131
  610   HD22  LEU  80          HD22      LEU  80 -10.109  -4.064  -1.690
  611   HD23  LEU  80          HD23      LEU  80 -10.243  -5.797  -2.031
  612    H    ASP  81           H        ASP  81 -10.463  -5.183   2.926
  613    HA   ASP  81           HA       ASP  81 -13.262  -4.837   1.999
  614    HB2  ASP  81           HB2      ASP  81 -12.847  -6.104   4.088
  615    HB3  ASP  81           HB3      ASP  81 -11.968  -4.722   4.753
  616    H    ILE  82           H        ILE  82 -13.569  -2.924   1.004
  617    HA   ILE  82           HA       ILE  82 -11.980  -0.595   1.930
  618    HB   ILE  82           HB       ILE  82 -13.421  -1.142  -0.676
  619   HG12  ILE  82          HG12      ILE  82 -10.430  -0.907  -0.165
  620   HG13  ILE  82          HG13      ILE  82 -11.277  -2.465  -0.128
  621   HG21  ILE  82          HG21      ILE  82 -12.331   0.920  -1.482
  622   HG22  ILE  82          HG22      ILE  82 -13.385   1.259  -0.103
  623   HG23  ILE  82          HG23      ILE  82 -11.619   1.172   0.132
  624   HD11  ILE  82          HD11      ILE  82 -12.066  -2.160  -2.405
  625   HD12  ILE  82          HD12      ILE  82 -11.249  -0.582  -2.516
  626   HD13  ILE  82          HD13      ILE  82 -10.293  -2.068  -2.346
  627    H    ASN  83           H        ASN  83 -12.953   1.287   2.568
  628    HA   ASN  83           HA       ASN  83 -15.867   1.587   2.458
  629    HB2  ASN  83           HB2      ASN  83 -15.286   0.059   4.435
  630    HB3  ASN  83           HB3      ASN  83 -14.460   1.448   5.150
  631   HD21  ASN  83          HD21      ASN  83 -15.761   3.274   5.907
  632   HD22  ASN  83          HD22      ASN  83 -17.485   3.077   6.114
  633    H    LEU  84           H        LEU  84 -16.511   3.776   3.365
  634    HA   LEU  84           HA       LEU  84 -14.602   5.811   2.719
  635    HB2  LEU  84           HB2      LEU  84 -17.369   5.699   3.370
  636    HB3  LEU  84           HB3      LEU  84 -16.618   6.672   4.632
  637    HG   LEU  84           HG       LEU  84 -15.401   7.862   2.570
  638   HD11  LEU  84          HD11      LEU  84 -16.902   7.975   0.615
  639   HD12  LEU  84          HD12      LEU  84 -16.262   6.334   0.856
  640   HD13  LEU  84          HD13      LEU  84 -17.933   6.713   1.335
  641   HD21  LEU  84          HD21      LEU  84 -17.293   9.461   2.495
  642   HD22  LEU  84          HD22      LEU  84 -16.907   8.964   4.158
  643   HD23  LEU  84          HD23      LEU  84 -18.320   8.268   3.327
  644    H    ALA  85           H        ALA  85 -13.541   7.300   4.233
  645    HA   ALA  85           HA       ALA  85 -12.369   5.799   6.423
  646    HB1  ALA  85           HB1      ALA  85 -10.897   7.763   6.608
  647    HB2  ALA  85           HB2      ALA  85 -11.042   7.212   4.920
  648    HB3  ALA  85           HB3      ALA  85 -11.949   8.644   5.467
  649    H    ALA  86           H        ALA  86 -15.221   7.546   6.282
  650    HA   ALA  86           HA       ALA  86 -15.039   8.219   9.178
  651    HB1  ALA  86           HB1      ALA  86 -14.820  10.247   7.787
  652    HB2  ALA  86           HB2      ALA  86 -16.365   9.868   6.994
  653    HB3  ALA  86           HB3      ALA  86 -16.328  10.251   8.733
  654    H    GLU  87           H        GLU  87 -16.344   6.040   7.202
  655    HA   GLU  87           HA       GLU  87 -18.924   6.061   8.674
  656    HB2  GLU  87           HB2      GLU  87 -18.647   5.555   5.691
  657    HB3  GLU  87           HB3      GLU  87 -20.133   5.415   6.653
  658    HG2  GLU  87           HG2      GLU  87 -19.880   7.844   7.282
  659    HG3  GLU  87           HG3      GLU  87 -18.547   7.953   6.122
  660    HA   PRO  88           HA       PRO  88 -16.673   1.911   8.376
  661    HB2  PRO  88           HB2      PRO  88 -16.028   1.528  11.022
  662    HB3  PRO  88           HB3      PRO  88 -14.966   2.375   9.859
  663    HG2  PRO  88           HG2      PRO  88 -16.932   3.590  11.825
  664    HG3  PRO  88           HG3      PRO  88 -15.222   4.060  11.530
  665    HD2  PRO  88           HD2      PRO  88 -17.280   5.404  10.383
  666    HD3  PRO  88           HD3      PRO  88 -15.760   5.092   9.483
  667    H    LYS  89           H        LYS  89 -17.882   0.137   8.501
  668    HA   LYS  89           HA       LYS  89 -20.051  -0.053  10.541
  669    HB2  LYS  89           HB2      LYS  89 -20.196  -0.821   7.595
  670    HB3  LYS  89           HB3      LYS  89 -21.431  -1.191   8.808
  671    HG2  LYS  89           HG2      LYS  89 -21.799   1.214   9.214
  672    HG3  LYS  89           HG3      LYS  89 -20.509   1.623   8.064
  673    HD2  LYS  89           HD2      LYS  89 -22.664   1.868   6.977
  674    HD3  LYS  89           HD3      LYS  89 -21.759   0.529   6.240
  675    HE2  LYS  89           HE2      LYS  89 -23.052  -1.097   7.575
  676    HE3  LYS  89           HE3      LYS  89 -23.930   0.233   8.355
  677    HZ1  LYS  89           HZ1      LYS  89 -23.975  -0.387   5.480
  678    HZ2  LYS  89           HZ2      LYS  89 -25.173  -0.729   6.548
  679    HZ3  LYS  89           HZ3      LYS  89 -24.806   0.837   6.210
  680    H    VAL  90           H        VAL  90 -17.202  -1.269   9.325
  681    HA   VAL  90           HA       VAL  90 -17.799  -4.105   9.822
  682    HB   VAL  90           HB       VAL  90 -16.390  -3.350   7.913
  683   HG11  VAL  90          HG11      VAL  90 -14.381  -2.600  10.079
  684   HG12  VAL  90          HG12      VAL  90 -14.083  -2.619   8.328
  685   HG13  VAL  90          HG13      VAL  90 -15.238  -1.463   9.014
  686   HG21  VAL  90          HG21      VAL  90 -14.851  -5.050   9.913
  687   HG22  VAL  90          HG22      VAL  90 -16.192  -5.635   8.898
  688   HG23  VAL  90          HG23      VAL  90 -14.692  -5.045   8.147
  689    H    ASN  91           H        ASN  91 -16.530  -5.361  11.343
  690    HA   ASN  91           HA       ASN  91 -16.456  -3.940  13.897
  691    HB2  ASN  91           HB2      ASN  91 -15.904  -6.882  13.448
  692    HB3  ASN  91           HB3      ASN  91 -16.585  -6.096  14.879
  693   HD21  ASN  91          HD21      ASN  91 -17.189  -7.222  11.582
  694   HD22  ASN  91          HD22      ASN  91 -18.937  -7.158  11.668
  695    H    ARG  92           H        ARG  92 -14.226  -4.182  11.555
  696    HA   ARG  92           HA       ARG  92 -11.992  -4.494  11.350
  697    HB2  ARG  92           HB2      ARG  92 -12.058  -3.084  14.051
  698    HB3  ARG  92           HB3      ARG  92 -10.614  -3.282  13.041
  699    HG2  ARG  92           HG2      ARG  92 -11.902  -2.189  11.147
  700    HG3  ARG  92           HG3      ARG  92 -13.173  -1.793  12.320
  701    HD2  ARG  92           HD2      ARG  92 -10.257  -0.907  12.442
  702    HD3  ARG  92           HD3      ARG  92 -11.620   0.104  11.980
  703    HE   ARG  92           HE       ARG  92 -12.499  -0.102  14.261
  704   HH11  ARG  92          HH11      ARG  92  -9.102  -1.032  13.803
  705   HH12  ARG  92          HH12      ARG  92  -8.700  -0.786  15.480
  706   HH21  ARG  92          HH21      ARG  92 -11.937   0.181  16.436
  707   HH22  ARG  92          HH22      ARG  92 -10.300  -0.118  16.968
  708    H    GLY  93           H        GLY  93 -13.222  -6.782  12.036
  709    HA2  GLY  93           HA2      GLY  93 -12.117  -8.068  14.359
  710    HA3  GLY  93           HA3      GLY  93 -13.107  -8.800  13.074
  711    H    LYS  94           H        LYS  94 -10.373  -7.171  11.836
  712    HA   LYS  94           HA       LYS  94  -8.491  -7.826  10.807
  713    HB2  LYS  94           HB2      LYS  94  -8.293  -9.816  13.076
  714    HB3  LYS  94           HB3      LYS  94  -6.959  -9.251  12.045
  715    HG2  LYS  94           HG2      LYS  94  -7.425  -6.900  12.805
  716    HG3  LYS  94           HG3      LYS  94  -8.629  -7.540  13.941
  717    HD2  LYS  94           HD2      LYS  94  -5.670  -8.256  13.907
  718    HD3  LYS  94           HD3      LYS  94  -6.458  -7.133  15.038
  719    HE2  LYS  94           HE2      LYS  94  -7.903  -8.978  15.844
  720    HE3  LYS  94           HE3      LYS  94  -7.088 -10.098  14.736
  721    HZ1  LYS  94           HZ1      LYS  94  -6.167 -10.232  16.934
  722    HZ2  LYS  94           HZ2      LYS  94  -5.038  -9.640  15.900
  723    HZ3  LYS  94           HZ3      LYS  94  -5.811  -8.630  16.943
  724    H    ALA  95           H        ALA  95 -11.138  -9.748  10.600
  725    HA   ALA  95           HA       ALA  95  -9.978 -11.122   8.303
  726    HB1  ALA  95           HB1      ALA  95 -11.192 -12.682  10.628
  727    HB2  ALA  95           HB2      ALA  95 -10.727 -13.360   9.045
  728    HB3  ALA  95           HB3      ALA  95  -9.486 -12.715  10.128
  729    H    GLY  96           H        GLY  96 -11.587 -11.761   6.813
  730    HA2  GLY  96           HA2      GLY  96 -14.126 -10.368   7.042
  731    HA3  GLY  96           HA3      GLY  96 -13.570 -11.385   5.693
  732    H    VAL  97           H        VAL  97 -13.086 -13.206   8.390
  733    HA   VAL  97           HA       VAL  97 -15.380 -14.919   7.829
  734    HB   VAL  97           HB       VAL  97 -13.170 -15.165   9.915
  735   HG11  VAL  97          HG11      VAL  97 -14.994 -17.228   8.605
  736   HG12  VAL  97          HG12      VAL  97 -13.640 -17.594   9.708
  737   HG13  VAL  97          HG13      VAL  97 -15.047 -16.695  10.304
  738   HG21  VAL  97          HG21      VAL  97 -13.271 -16.156   7.037
  739   HG22  VAL  97          HG22      VAL  97 -12.179 -14.911   7.689
  740   HG23  VAL  97          HG23      VAL  97 -12.023 -16.589   8.233
  741    H    LYS  98           H        LYS  98 -14.600 -12.403  10.058
  742    HA   LYS  98           HA       LYS  98 -16.181 -13.337  12.283
  743    HB2  LYS  98           HB2      LYS  98 -15.227 -10.540  11.565
  744    HB3  LYS  98           HB3      LYS  98 -15.832 -11.052  13.152
  745    HG2  LYS  98           HG2      LYS  98 -13.339 -12.121  11.760
  746    HG3  LYS  98           HG3      LYS  98 -13.366 -10.940  13.078
  747    HD2  LYS  98           HD2      LYS  98 -14.377 -12.609  14.591
  748    HD3  LYS  98           HD3      LYS  98 -14.422 -13.794  13.270
  749    HE2  LYS  98           HE2      LYS  98 -12.483 -14.236  14.643
  750    HE3  LYS  98           HE3      LYS  98 -11.964 -13.642  13.053
  751    HZ1  LYS  98           HZ1      LYS  98 -12.148 -11.996  15.488
  752    HZ2  LYS  98           HZ2      LYS  98 -10.756 -12.616  14.868
  753    HZ3  LYS  98           HZ3      LYS  98 -11.594 -11.497  14.019
  754    H    ARG  99           H        ARG  99 -18.139 -12.572  13.070
  755    HA   ARG  99           HA       ARG  99 -20.103 -11.776  10.999
  756    HB2  ARG  99           HB2      ARG  99 -20.173 -13.029  13.725
  757    HB3  ARG  99           HB3      ARG  99 -21.566 -12.073  13.221
  758    HG2  ARG  99           HG2      ARG  99 -21.908 -14.431  12.678
  759    HG3  ARG  99           HG3      ARG  99 -21.869 -13.427  11.220
  760    HD2  ARG  99           HD2      ARG  99 -19.578 -14.127  10.740
  761    HD3  ARG  99           HD3      ARG  99 -19.509 -15.033  12.270
  762    HE   ARG  99           HE       ARG  99 -21.730 -16.025  10.887
  763   HH11  ARG  99          HH11      ARG  99 -18.232 -15.853  10.301
  764   HH12  ARG  99          HH12      ARG  99 -18.220 -17.325   9.363
  765   HH21  ARG  99          HH21      ARG  99 -21.655 -17.924   9.654
  766   HH22  ARG  99          HH22      ARG  99 -20.138 -18.488   8.995
  767    H    SER 100           H        SER 100 -21.736 -10.139  11.561
  768    HA   SER 100           HA       SER 100 -20.524  -7.698  12.577
  769    HB2  SER 100           HB2      SER 100 -22.147  -7.656  10.735
  770    HB3  SER 100           HB3      SER 100 -23.379  -8.390  11.791
  771    HG   SER 100           HG       SER 100 -23.512  -6.078  11.648
  772    H    ALA 101           H        ALA 101 -21.236  -6.531  14.497
  773    HA   ALA 101           HA       ALA 101 -21.661  -8.275  16.733
  774    HB1  ALA 101           HB1      ALA 101 -21.836  -5.242  16.525
  775    HB2  ALA 101           HB2      ALA 101 -21.717  -6.183  18.034
  776    HB3  ALA 101           HB3      ALA 101 -20.370  -6.189  16.870
  777    H    ALA 102           H        ALA 102 -23.856  -7.175  14.440
  778    HA   ALA 102           HA       ALA 102 -26.158  -7.258  16.316
  779    HB1  ALA 102           HB1      ALA 102 -25.945  -6.460  13.396
  780    HB2  ALA 102           HB2      ALA 102 -27.410  -6.341  14.407
  781    HB3  ALA 102           HB3      ALA 102 -25.990  -5.342  14.788
  782    H    GLU 103           H        GLU 103 -24.326  -9.301  14.364
  783    HA   GLU 103           HA       GLU 103 -26.581 -11.228  14.071
  784    HB2  GLU 103           HB2      GLU 103 -24.320 -10.702  12.097
  785    HB3  GLU 103           HB3      GLU 103 -25.537 -11.983  11.957
  786    HG2  GLU 103           HG2      GLU 103 -27.330 -10.253  11.910
  787    HG3  GLU 103           HG3      GLU 103 -26.097  -8.985  11.973
  788    H    MET 104           H        MET 104 -23.991 -10.594  15.837
  789    HA   MET 104           HA       MET 104 -22.606 -13.169  15.574
  790    HB2  MET 104           HB2      MET 104 -21.240 -11.241  15.730
  791    HB3  MET 104           HB3      MET 104 -22.064 -10.673  17.200
  792    HG2  MET 104           HG2      MET 104 -21.147 -12.509  18.474
  793    HG3  MET 104           HG3      MET 104 -20.493 -13.263  17.005
  794    HE1  MET 104           HE1      MET 104 -19.170 -11.037  15.363
  795    HE2  MET 104           HE2      MET 104 -17.518 -11.022  16.020
  796    HE3  MET 104           HE3      MET 104 -18.360 -12.569  15.768
  797    H    TYR 105           H        TYR 105 -22.084 -14.399  17.525
  798    HA   TYR 105           HA       TYR 105 -24.492 -15.446  18.579
  799    HB2  TYR 105           HB2      TYR 105 -21.696 -16.030  19.576
  800    HB3  TYR 105           HB3      TYR 105 -23.069 -17.136  19.421
  801    HD1  TYR 105           HD2      TYR 105 -20.389 -15.302  17.661
  802    HD2  TYR 105           HD1      TYR 105 -23.553 -18.185  17.246
  803    HE1  TYR 105           HE2      TYR 105 -19.615 -15.796  15.363
  804    HE2  TYR 105           HE1      TYR 105 -22.732 -18.756  14.970
  805    HH   TYR 105           HH       TYR 105 -21.195 -18.307  13.333
  806    H    GLY 106           H        GLY 106 -22.496 -12.901  19.725
  807    HA2  GLY 106           HA2      GLY 106 -22.623 -11.587  21.607
  808    HA3  GLY 106           HA3      GLY 106 -24.087 -12.469  22.078
  809    H5'    A   1           H5'        A   1   3.264  -7.032   7.958
  810   H5''    A   1          H5''        A   1   2.117  -7.193   9.297
  811    H4'    A   1           H4'        A   1   1.796  -9.053   7.876
  812    H3'    A   1           H3'        A   1   2.336  -9.520  10.484
  813    H2'    A   1           H2'        A   1   4.627  -9.796  10.458
  814   HO2'    A   1          HO2'        A   1   5.228 -11.977  10.218
  815    H1'    A   1           H1'        A   1   5.039 -11.052   7.804
  816    H8     A   1           H8         A   1   5.832  -8.215   6.566
  817    H61    A   1           H61        A   1  10.798  -7.305  10.210
  818    H62    A   1           H62        A   1  10.009  -6.816   8.720
  819    H2     A   1           H2         A   1   8.293 -10.336  12.121
  820    H5'    U   2           H5'        U   2   0.592  -8.457   9.557
  821   H5''    U   2          H5''        U   2  -0.561  -8.721  10.879
  822    H4'    U   2           H4'        U   2  -1.416  -6.976   9.458
  823    H3'    U   2           H3'        U   2  -2.916  -9.127  10.223
  824    H2'    U   2           H2'        U   2  -2.337 -10.433   8.308
  825   HO2'    U   2          HO2'        U   2  -4.665 -10.315   8.488
  826    H1'    U   2           H1'        U   2  -2.874  -8.163   6.436
  827    H3     U   2           H3         U   2  -2.087 -11.567   3.450
  828    H5     U   2           H5         U   2   1.195 -11.696   6.091
  829    H6     U   2           H6         U   2   0.194  -9.893   7.323
  830    H5'    U   3           H5'        U   3  -6.801  -5.916   9.847
  831   H5''    U   3          H5''        U   3  -5.948  -5.929   8.283
  832    H4'    U   3           H4'        U   3  -5.715  -3.388   8.561
  833    H3'    U   3           H3'        U   3  -6.572  -3.792  11.119
  834    H2'    U   3           H2'        U   3  -8.637  -4.768  10.548
  835   HO2'    U   3          HO2'        U   3  -8.894  -2.528  11.650
  836    H1'    U   3           H1'        U   3  -9.082  -2.663   8.431
  837    H3     U   3           H3         U   3 -12.858  -4.586   6.894
  838    H5     U   3           H5         U   3 -10.843  -7.805   8.693
  839    H6     U   3           H6         U   3  -9.006  -6.293   9.191
  840    H5'    U   4           H5'        U   4  -5.963   0.827   9.585
  841   H5''    U   4          H5''        U   4  -5.129   1.086  11.135
  842    H4'    U   4           H4'        U   4  -5.648   3.237  10.202
  843    H3'    U   4           H3'        U   4  -6.663   2.408  12.770
  844    H2'    U   4           H2'        U   4  -8.890   2.594  12.100
  845   HO2'    U   4          HO2'        U   4  -8.547   4.298  13.650
  846    H1'    U   4           H1'        U   4  -7.981   4.827  10.255
  847    H3     U   4           H3         U   4 -12.060   5.861   8.701
  848    H5     U   4           H5         U   4 -12.443   1.781   9.625
  849    H6     U   4           H6         U   4 -10.146   1.797  10.407
  850    H5'    U   5           H5'        U   5  -3.691   3.373  10.383
  851   H5''    U   5          H5''        U   5  -2.285   3.460  11.461
  852    H4'    U   5           H4'        U   5  -1.493   4.166   9.361
  853    H3'    U   5           H3'        U   5  -1.297   5.873  11.493
  854    H2'    U   5           H2'        U   5  -3.226   7.152  11.030
  855   HO2'    U   5          HO2'        U   5  -1.097   8.440  10.656
  856    H1'    U   5           H1'        U   5  -2.579   7.182   8.092
  857    H3     U   5           H3         U   5  -6.475   9.109   7.010
  858    H5     U   5           H5         U   5  -7.455   6.937  10.480
  859    H6     U   5           H6         U   5  -5.152   6.161  10.558
  860    H5'    U   6           H5'        U   6   1.805   5.191   8.395
  861   H5''    U   6          H5''        U   6   3.289   5.431   9.310
  862    H4'    U   6           H4'        U   6   3.686   5.280   6.879
  863    H3'    U   6           H3'        U   6   4.871   7.083   8.595
  864    H2'    U   6           H2'        U   6   3.524   8.946   8.087
  865   HO2'    U   6          HO2'        U   6   5.521   8.860   6.066
  866    H1'    U   6           H1'        U   6   3.277   8.332   5.164
  867    H3     U   6           H3         U   6   1.065  12.291   5.808
  868    H5     U   6           H5         U   6  -1.214   9.390   7.830
  869    H6     U   6           H6         U   6   0.572   7.814   7.460
  870    H5'    C   7           H5'        C   7   6.981   5.232   9.728
  871   H5''    C   7          H5''        C   7   6.638   6.963   9.507
  872    H4'    C   7           H4'        C   7   9.450   5.841   9.803
  873    H3'    C   7           H3'        C   7   7.584   5.755  11.850
  874    H2'    C   7           H2'        C   7   7.151   8.120  11.792
  875   HO2'    C   7          HO2'        C   7   7.836   7.593  13.925
  876    H1'    C   7           H1'        C   7  10.153   8.426  11.458
  877    H41    C   7           H41        C   7   7.111  14.199  10.102
  878    H42    C   7           H42        C   7   8.520  14.624  11.057
  879    H5     C   7           H5         C   7  10.053  12.947  11.964
  880    H6     C   7           H6         C   7  10.507  10.573  12.124
  Start of MODEL   17
    1    H1   ALA   2           H        ALA   2   2.005  11.256  -6.873
    2    H2   ALA   2           H2       ALA   2   1.215   9.934  -6.268
    3    HA   ALA   2           HA       ALA   2   0.257  12.705  -6.184
    4    HB1  ALA   2           HB1      ALA   2  -1.586  11.844  -4.817
    5    HB2  ALA   2           HB2      ALA   2  -1.581  11.056  -6.403
    6    HB3  ALA   2           HB3      ALA   2  -0.962  10.185  -4.981
    7    H    SER   3           H        SER   3  -0.150  13.328  -3.802
    8    HA   SER   3           HA       SER   3   2.342  13.369  -2.438
    9    HB2  SER   3           HB2      SER   3  -0.461  13.992  -1.440
   10    HB3  SER   3           HB3      SER   3   1.056  14.495  -0.669
   11    HG   SER   3           HG       SER   3   0.174  16.103  -2.046
   12    H    ASN   4           H        ASN   4   2.382  12.839   0.038
   13    HA   ASN   4           HA       ASN   4   1.717   9.955   0.235
   14    HB2  ASN   4           HB2      ASN   4   3.708   9.739   1.618
   15    HB3  ASN   4           HB3      ASN   4   4.111  10.465   0.061
   16   HD21  ASN   4          HD21      ASN   4   5.994  10.799   1.884
   17   HD22  ASN   4          HD22      ASN   4   5.977  12.412   2.566
   18    H    VAL   5           H        VAL   5   0.085  12.467   1.174
   19    HA   VAL   5           HA       VAL   5  -0.046  11.686   4.037
   20    HB   VAL   5           HB       VAL   5   0.971  13.941   3.525
   21   HG11  VAL   5          HG11      VAL   5  -1.877  14.663   2.741
   22   HG12  VAL   5          HG12      VAL   5  -0.495  15.769   2.886
   23   HG13  VAL   5          HG13      VAL   5  -0.498  14.526   1.615
   24   HG21  VAL   5          HG21      VAL   5   0.094  13.505   5.718
   25   HG22  VAL   5          HG22      VAL   5  -0.381  15.139   5.244
   26   HG23  VAL   5          HG23      VAL   5  -1.574  13.820   5.176
   27    H    THR   6           H        THR   6  -1.993  11.272   4.914
   28    HA   THR   6           HA       THR   6  -4.436  11.764   3.327
   29    HB   THR   6           HB       THR   6  -5.164   9.409   3.511
   30    HG1  THR   6           HG1      THR   6  -3.927   8.822   5.309
   31   HG21  THR   6          HG21      THR   6  -2.412   9.557   2.221
   32   HG22  THR   6          HG22      THR   6  -3.708   8.405   1.851
   33   HG23  THR   6          HG23      THR   6  -3.934  10.119   1.460
   34    H    ASN   7           H        ASN   7  -2.935  12.014   6.271
   35    HA   ASN   7           HA       ASN   7  -5.148  10.989   7.887
   36    HB2  ASN   7           HB2      ASN   7  -2.754  10.612   8.460
   37    HB3  ASN   7           HB3      ASN   7  -2.577  12.340   8.773
   38   HD21  ASN   7          HD21      ASN   7  -1.902  11.589  10.902
   39   HD22  ASN   7          HD22      ASN   7  -3.112  11.175  12.107
   40    H    LYS   8           H        LYS   8  -5.773  13.202   6.117
   41    HA   LYS   8           HA       LYS   8  -6.089  15.541   7.862
   42    HB2  LYS   8           HB2      LYS   8  -6.929  14.815   5.051
   43    HB3  LYS   8           HB3      LYS   8  -7.587  16.235   5.865
   44    HG2  LYS   8           HG2      LYS   8  -5.668  16.764   4.410
   45    HG3  LYS   8           HG3      LYS   8  -5.430  17.265   6.080
   46    HD2  LYS   8           HD2      LYS   8  -4.344  14.605   5.125
   47    HD3  LYS   8           HD3      LYS   8  -3.490  16.092   4.730
   48    HE2  LYS   8           HE2      LYS   8  -4.196  15.268   7.576
   49    HE3  LYS   8           HE3      LYS   8  -2.633  14.991   6.807
   50    HZ1  LYS   8           HZ1      LYS   8  -2.407  17.360   6.528
   51    HZ2  LYS   8           HZ2      LYS   8  -3.866  17.633   7.235
   52    HZ3  LYS   8           HZ3      LYS   8  -2.634  16.992   8.113
   53    H    THR   9           H        THR   9  -8.076  16.345   8.606
   54    HA   THR   9           HA       THR   9 -10.172  14.267   8.962
   55    HB   THR   9           HB       THR   9 -10.318  14.915  11.363
   56    HG1  THR   9           HG1      THR   9  -9.317  16.925  11.234
   57   HG21  THR   9          HG21      THR   9  -8.326  13.705  12.096
   58   HG22  THR   9          HG22      THR   9  -9.026  12.918  10.665
   59   HG23  THR   9          HG23      THR   9  -7.572  13.926  10.497
   60    H    ASP  10           H        ASP  10  -9.864  16.934   7.392
   61    HA   ASP  10           HA       ASP  10 -11.695  18.776   8.593
   62    HB2  ASP  10           HB2      ASP  10 -10.887  18.333   5.688
   63    HB3  ASP  10           HB3      ASP  10 -11.770  19.737   6.295
   64    HA   PRO  11           HA       PRO  11 -15.596  17.176   8.118
   65    HB2  PRO  11           HB2      PRO  11 -16.525  19.683   6.763
   66    HB3  PRO  11           HB3      PRO  11 -17.111  18.909   8.282
   67    HG2  PRO  11           HG2      PRO  11 -15.576  21.139   8.386
   68    HG3  PRO  11           HG3      PRO  11 -15.307  19.783   9.537
   69    HD2  PRO  11           HD2      PRO  11 -13.808  20.372   6.965
   70    HD3  PRO  11           HD3      PRO  11 -13.157  19.998   8.590
   71    H    ARG  12           H        ARG  12 -13.987  18.112   5.214
   72    HA   ARG  12           HA       ARG  12 -15.912  16.468   3.629
   73    HB2  ARG  12           HB2      ARG  12 -15.481  17.841   1.696
   74    HB3  ARG  12           HB3      ARG  12 -16.055  18.832   3.038
   75    HG2  ARG  12           HG2      ARG  12 -14.340  20.114   2.137
   76    HG3  ARG  12           HG3      ARG  12 -13.546  19.325   3.513
   77    HD2  ARG  12           HD2      ARG  12 -12.540  17.667   1.968
   78    HD3  ARG  12           HD3      ARG  12 -13.423  18.390   0.612
   79    HE   ARG  12           HE       ARG  12 -11.777  20.318   2.025
   80   HH11  ARG  12          HH11      ARG  12 -11.705  17.764  -0.423
   81   HH12  ARG  12          HH12      ARG  12 -10.284  18.401  -1.211
   82   HH21  ARG  12          HH21      ARG  12  -9.932  21.127   0.966
   83   HH22  ARG  12          HH22      ARG  12  -9.281  20.288  -0.427
   84    H    SER  13           H        SER  13 -12.821  16.653   4.923
   85    HA   SER  13           HA       SER  13 -11.609  14.987   2.804
   86    HB2  SER  13           HB2      SER  13 -10.450  16.084   5.389
   87    HB3  SER  13           HB3      SER  13  -9.556  15.193   4.134
   88    HG   SER  13           HG       SER  13  -9.392  17.471   3.879
   89    H    MET  14           H        MET  14 -13.216  14.728   5.877
   90    HA   MET  14           HA       MET  14 -12.247  12.101   6.591
   91    HB2  MET  14           HB2      MET  14 -14.580  13.869   7.357
   92    HB3  MET  14           HB3      MET  14 -14.494  12.208   7.968
   93    HG2  MET  14           HG2      MET  14 -12.009  13.825   8.207
   94    HG3  MET  14           HG3      MET  14 -13.364  14.328   9.216
   95    HE1  MET  14           HE1      MET  14 -12.797  10.536   8.183
   96    HE2  MET  14           HE2      MET  14 -11.139  11.171   8.234
   97    HE3  MET  14           HE3      MET  14 -11.676   9.990   9.448
   98    H    ASN  15           H        ASN  15 -14.277  13.223   4.089
   99    HA   ASN  15           HA       ASN  15 -15.393  10.492   3.737
  100    HB2  ASN  15           HB2      ASN  15 -17.400  11.775   2.687
  101    HB3  ASN  15           HB3      ASN  15 -17.258  11.648   4.446
  102   HD21  ASN  15          HD21      ASN  15 -16.800  13.450   5.707
  103   HD22  ASN  15          HD22      ASN  15 -16.884  15.078   5.075
  104    H    SER  16           H        SER  16 -13.239  12.680   2.477
  105    HA   SER  16           HA       SER  16 -13.753  11.770  -0.301
  106    HB2  SER  16           HB2      SER  16 -12.256  13.511  -1.006
  107    HB3  SER  16           HB3      SER  16 -13.419  14.226   0.141
  108    HG   SER  16           HG       SER  16 -11.251  14.817   0.579
  109    H    ARG  17           H        ARG  17 -12.415  10.519   2.310
  110    HA   ARG  17           HA       ARG  17  -9.899   9.549   1.024
  111    HB2  ARG  17           HB2      ARG  17 -10.917   9.708   3.866
  112    HB3  ARG  17           HB3      ARG  17  -9.558   8.662   3.404
  113    HG2  ARG  17           HG2      ARG  17  -8.271  10.542   2.601
  114    HG3  ARG  17           HG3      ARG  17  -9.641  11.655   2.829
  115    HD2  ARG  17           HD2      ARG  17  -7.882  11.668   4.693
  116    HD3  ARG  17           HD3      ARG  17  -9.568  11.431   5.193
  117    HE   ARG  17           HE       ARG  17  -8.015   8.984   4.698
  118   HH11  ARG  17          HH11      ARG  17  -9.006  11.349   7.132
  119   HH12  ARG  17          HH12      ARG  17  -9.040  10.167   8.421
  120   HH21  ARG  17          HH21      ARG  17  -8.110   7.464   6.391
  121   HH22  ARG  17          HH22      ARG  17  -8.557   7.981   7.998
  122    H    VAL  18           H        VAL  18  -9.361   7.268   1.488
  123    HA   VAL  18           HA       VAL  18 -11.741   5.468   1.568
  124    HB   VAL  18           HB       VAL  18  -9.324   5.153  -0.249
  125   HG11  VAL  18          HG11      VAL  18 -11.962   3.655  -0.043
  126   HG12  VAL  18          HG12      VAL  18 -10.724   3.384  -1.285
  127   HG13  VAL  18          HG13      VAL  18 -10.353   3.043   0.416
  128   HG21  VAL  18          HG21      VAL  18 -10.874   5.622  -2.110
  129   HG22  VAL  18          HG22      VAL  18 -12.153   6.050  -0.945
  130   HG23  VAL  18          HG23      VAL  18 -10.669   7.037  -1.067
  131    H    PHE  19           H        PHE  19 -11.541   3.992   3.134
  132    HA   PHE  19           HA       PHE  19  -8.869   3.356   4.256
  133    HB2  PHE  19           HB2      PHE  19 -10.617   3.889   5.847
  134    HB3  PHE  19           HB3      PHE  19 -11.716   2.742   5.089
  135    HD1  PHE  19           HD2      PHE  19  -8.100   2.347   6.097
  136    HD2  PHE  19           HD1      PHE  19 -12.178   1.106   6.679
  137    HE1  PHE  19           HE2      PHE  19  -7.342   0.566   7.650
  138    HE2  PHE  19           HE1      PHE  19 -11.419  -0.667   8.221
  139    HZ   PHE  19           HZ       PHE  19  -8.996  -0.948   8.707
  140    H    ILE  20           H        ILE  20  -7.872   1.414   3.787
  141    HA   ILE  20           HA       ILE  20  -9.421  -0.577   2.176
  142    HB   ILE  20           HB       ILE  20  -6.546   0.315   1.748
  143   HG12  ILE  20          HG12      ILE  20  -8.946   0.790  -0.062
  144   HG13  ILE  20          HG13      ILE  20  -8.316   1.998   1.072
  145   HG21  ILE  20          HG21      ILE  20  -6.654  -1.144  -0.240
  146   HG22  ILE  20          HG22      ILE  20  -7.005  -2.082   1.219
  147   HG23  ILE  20          HG23      ILE  20  -8.332  -1.581   0.158
  148   HD11  ILE  20          HD11      ILE  20  -7.393   2.378  -1.168
  149   HD12  ILE  20          HD12      ILE  20  -6.109   1.913  -0.031
  150   HD13  ILE  20          HD13      ILE  20  -6.734   0.729  -1.203
  151    H    GLY  21           H        GLY  21  -9.765  -1.860   4.000
  152    HA2  GLY  21           HA2      GLY  21  -7.460  -2.655   5.673
  153    HA3  GLY  21           HA3      GLY  21  -9.162  -2.995   5.972
  154    H    ASN  22           H        ASN  22  -7.417  -4.964   6.380
  155    HA   ASN  22           HA       ASN  22  -6.922  -7.090   5.980
  156    HB2  ASN  22           HB2      ASN  22  -9.458  -7.042   5.830
  157    HB3  ASN  22           HB3      ASN  22  -9.268  -7.187   4.074
  158   HD21  ASN  22          HD21      ASN  22  -8.705  -9.208   3.184
  159   HD22  ASN  22          HD22      ASN  22  -8.551 -10.653   4.156
  160    H    LEU  23           H        LEU  23  -5.863  -4.955   4.048
  161    HA   LEU  23           HA       LEU  23  -5.540  -6.261   1.508
  162    HB2  LEU  23           HB2      LEU  23  -5.482  -3.809   1.898
  163    HB3  LEU  23           HB3      LEU  23  -3.989  -3.985   2.815
  164    HG   LEU  23           HG       LEU  23  -2.811  -4.775   0.805
  165   HD11  LEU  23          HD11      LEU  23  -5.481  -4.352  -0.606
  166   HD12  LEU  23          HD12      LEU  23  -3.923  -4.672  -1.405
  167   HD13  LEU  23          HD13      LEU  23  -4.650  -5.915  -0.376
  168   HD21  LEU  23          HD21      LEU  23  -4.470  -2.249   0.386
  169   HD22  LEU  23          HD22      LEU  23  -3.000  -2.662  -0.518
  170   HD23  LEU  23          HD23      LEU  23  -2.917  -2.358   1.239
  171    H    ASN  24           H        ASN  24  -3.544  -7.156   0.619
  172    HA   ASN  24           HA       ASN  24  -2.385  -9.081   2.371
  173    HB2  ASN  24           HB2      ASN  24  -1.079  -9.725   0.438
  174    HB3  ASN  24           HB3      ASN  24  -2.735  -9.380  -0.077
  175   HD21  ASN  24          HD21      ASN  24   0.328  -9.071  -1.078
  176   HD22  ASN  24          HD22      ASN  24   0.206  -7.576  -1.998
  177    H    THR  25           H        THR  25  -1.174  -6.050   0.998
  178    HA   THR  25           HA       THR  25   0.579  -4.738   1.354
  179    HB   THR  25           HB       THR  25   1.010  -4.088   3.618
  180    HG1  THR  25           HG1      THR  25  -0.193  -6.572   4.204
  181   HG21  THR  25          HG21      THR  25  -1.293  -3.608   4.279
  182   HG22  THR  25          HG22      THR  25  -1.183  -3.546   2.509
  183   HG23  THR  25          HG23      THR  25  -1.890  -4.971   3.314
  184    H    LEU  26           H        LEU  26   1.297  -7.999   1.516
  185    HA   LEU  26           HA       LEU  26   4.126  -7.454   2.213
  186    HB2  LEU  26           HB2      LEU  26   2.922 -10.084   1.309
  187    HB3  LEU  26           HB3      LEU  26   4.498  -9.802   2.041
  188    HG   LEU  26           HG       LEU  26   1.783  -9.881   3.322
  189   HD11  LEU  26          HD11      LEU  26   4.557 -10.995   3.946
  190   HD12  LEU  26          HD12      LEU  26   3.109 -11.327   4.902
  191   HD13  LEU  26          HD13      LEU  26   3.194 -11.884   3.215
  192   HD21  LEU  26          HD21      LEU  26   2.678  -8.984   5.412
  193   HD22  LEU  26          HD22      LEU  26   2.740  -7.743   4.161
  194   HD23  LEU  26          HD23      LEU  26   4.232  -8.604   4.619
  195    H    VAL  27           H        VAL  27   2.094  -7.404  -0.510
  196    HA   VAL  27           HA       VAL  27   4.452  -7.566  -2.336
  197    HB   VAL  27           HB       VAL  27   1.693  -8.632  -3.026
  198   HG11  VAL  27          HG11      VAL  27   2.969  -9.826  -4.796
  199   HG12  VAL  27          HG12      VAL  27   3.118  -8.071  -4.945
  200   HG13  VAL  27          HG13      VAL  27   4.456  -9.025  -4.248
  201   HG21  VAL  27          HG21      VAL  27   2.525 -10.014  -1.177
  202   HG22  VAL  27          HG22      VAL  27   2.633 -10.903  -2.703
  203   HG23  VAL  27          HG23      VAL  27   4.098 -10.188  -1.996
  204    H    VAL  28           H        VAL  28   1.644  -5.847  -1.242
  205    HA   VAL  28           HA       VAL  28   1.504  -4.240  -3.690
  206    HB   VAL  28           HB       VAL  28  -0.375  -4.929  -1.870
  207   HG11  VAL  28          HG11      VAL  28   0.352  -2.061  -1.158
  208   HG12  VAL  28          HG12      VAL  28  -0.928  -3.065  -0.443
  209   HG13  VAL  28          HG13      VAL  28   0.785  -3.446  -0.138
  210   HG21  VAL  28          HG21      VAL  28  -0.356  -2.315  -3.418
  211   HG22  VAL  28          HG22      VAL  28  -0.758  -3.916  -4.094
  212   HG23  VAL  28          HG23      VAL  28  -1.782  -3.197  -2.837
  213    H    LYS  29           H        LYS  29   1.948  -1.924  -3.653
  214    HA   LYS  29           HA       LYS  29   3.636  -0.948  -1.431
  215    HB2  LYS  29           HB2      LYS  29   4.995   0.161  -3.456
  216    HB3  LYS  29           HB3      LYS  29   5.460  -1.364  -2.725
  217    HG2  LYS  29           HG2      LYS  29   3.538  -1.493  -5.028
  218    HG3  LYS  29           HG3      LYS  29   5.225  -1.058  -5.373
  219    HD2  LYS  29           HD2      LYS  29   6.081  -3.060  -4.406
  220    HD3  LYS  29           HD3      LYS  29   4.521  -3.493  -3.690
  221    HE2  LYS  29           HE2      LYS  29   3.534  -3.844  -5.855
  222    HE3  LYS  29           HE3      LYS  29   4.992  -3.234  -6.682
  223    HZ1  LYS  29           HZ1      LYS  29   4.954  -5.612  -6.678
  224    HZ2  LYS  29           HZ2      LYS  29   6.195  -5.098  -5.731
  225    HZ3  LYS  29           HZ3      LYS  29   4.812  -5.669  -5.043
  226    H    LYS  30           H        LYS  30   4.075   1.531  -1.872
  227    HA   LYS  30           HA       LYS  30   1.519   2.780  -1.849
  228    HB2  LYS  30           HB2      LYS  30   3.450   3.785  -0.769
  229    HB3  LYS  30           HB3      LYS  30   4.294   3.948  -2.326
  230    HG2  LYS  30           HG2      LYS  30   2.617   5.492  -3.152
  231    HG3  LYS  30           HG3      LYS  30   1.585   5.201  -1.738
  232    HD2  LYS  30           HD2      LYS  30   3.243   6.217  -0.268
  233    HD3  LYS  30           HD3      LYS  30   4.359   6.467  -1.630
  234    HE2  LYS  30           HE2      LYS  30   1.529   7.577  -1.547
  235    HE3  LYS  30           HE3      LYS  30   2.940   8.488  -0.964
  236    HZ1  LYS  30           HZ1      LYS  30   2.567   7.480  -3.713
  237    HZ2  LYS  30           HZ2      LYS  30   2.412   9.038  -3.231
  238    HZ3  LYS  30           HZ3      LYS  30   3.878   8.302  -3.169
  239    H    SER  31           H        SER  31   3.831   2.177  -4.476
  240    HA   SER  31           HA       SER  31   2.519   3.968  -6.339
  241    HB2  SER  31           HB2      SER  31   4.563   1.759  -6.794
  242    HB3  SER  31           HB3      SER  31   4.124   3.034  -7.949
  243    HG   SER  31           HG       SER  31   6.003   3.548  -6.754
  244    H    ASP  32           H        ASP  32   1.696   0.901  -5.113
  245    HA   ASP  32           HA       ASP  32   0.303   0.097  -7.591
  246    HB2  ASP  32           HB2      ASP  32   1.009  -1.195  -4.955
  247    HB3  ASP  32           HB3      ASP  32  -0.371  -1.803  -5.849
  248    H    VAL  33           H        VAL  33  -0.322   1.197  -4.198
  249    HA   VAL  33           HA       VAL  33  -3.170   0.883  -4.459
  250    HB   VAL  33           HB       VAL  33  -1.569   2.670  -2.582
  251   HG11  VAL  33          HG11      VAL  33  -3.960   3.286  -2.712
  252   HG12  VAL  33          HG12      VAL  33  -4.420   1.593  -2.425
  253   HG13  VAL  33          HG13      VAL  33  -3.589   2.527  -1.155
  254   HG21  VAL  33          HG21      VAL  33  -0.932   0.284  -2.373
  255   HG22  VAL  33          HG22      VAL  33  -1.883   0.798  -0.973
  256   HG23  VAL  33          HG23      VAL  33  -2.649  -0.167  -2.254
  257    H    GLU  34           H        GLU  34  -0.920   3.642  -5.057
  258    HA   GLU  34           HA       GLU  34  -3.149   5.338  -5.814
  259    HB2  GLU  34           HB2      GLU  34  -1.540   7.020  -6.311
  260    HB3  GLU  34           HB3      GLU  34  -1.077   6.233  -4.788
  261    HG2  GLU  34           HG2      GLU  34   0.607   4.888  -6.020
  262    HG3  GLU  34           HG3      GLU  34   0.155   5.696  -7.524
  263    H    ALA  35           H        ALA  35  -2.133   2.670  -7.284
  264    HA   ALA  35           HA       ALA  35  -2.561   3.791 -10.018
  265    HB1  ALA  35           HB1      ALA  35  -0.983   1.339  -9.160
  266    HB2  ALA  35           HB2      ALA  35  -1.203   1.905 -10.832
  267    HB3  ALA  35           HB3      ALA  35  -0.290   2.897  -9.675
  268    H    ILE  36           H        ILE  36  -3.856   1.840  -7.532
  269    HA   ILE  36           HA       ILE  36  -5.545   0.285  -9.435
  270    HB   ILE  36           HB       ILE  36  -4.945  -0.007  -6.471
  271   HG12  ILE  36          HG12      ILE  36  -4.392  -1.982  -8.709
  272   HG13  ILE  36          HG13      ILE  36  -3.246  -0.692  -8.345
  273   HG21  ILE  36          HG21      ILE  36  -7.272  -0.695  -6.901
  274   HG22  ILE  36          HG22      ILE  36  -6.742  -1.668  -8.292
  275   HG23  ILE  36          HG23      ILE  36  -6.267  -2.131  -6.642
  276   HD11  ILE  36          HD11      ILE  36  -2.575  -2.665  -7.117
  277   HD12  ILE  36          HD12      ILE  36  -3.170  -1.455  -5.963
  278   HD13  ILE  36          HD13      ILE  36  -4.201  -2.836  -6.405
  279    H    PHE  37           H        PHE  37  -5.548   2.983  -7.220
  280    HA   PHE  37           HA       PHE  37  -8.531   3.047  -7.285
  281    HB2  PHE  37           HB2      PHE  37  -6.493   4.188  -5.360
  282    HB3  PHE  37           HB3      PHE  37  -8.196   4.658  -5.359
  283    HD1  PHE  37           HD1      PHE  37  -6.048   1.560  -5.243
  284    HD2  PHE  37           HD2      PHE  37  -9.702   3.487  -4.045
  285    HE1  PHE  37           HE1      PHE  37  -6.651  -0.424  -3.908
  286    HE2  PHE  37           HE2      PHE  37 -10.313   1.500  -2.709
  287    HZ   PHE  37           HZ       PHE  37  -8.763  -0.463  -2.611
  288    H    SER  38           H        SER  38  -5.751   4.483  -8.706
  289    HA   SER  38           HA       SER  38  -6.862   7.133  -9.014
  290    HB2  SER  38           HB2      SER  38  -4.446   6.632  -9.095
  291    HB3  SER  38           HB3      SER  38  -4.689   5.720 -10.606
  292    HG   SER  38           HG       SER  38  -4.041   7.902 -10.946
  293    H    LYS  39           H        LYS  39  -7.706   4.139 -10.348
  294    HA   LYS  39           HA       LYS  39  -8.632   5.208 -12.920
  295    HB2  LYS  39           HB2      LYS  39  -9.250   2.903 -13.394
  296    HB3  LYS  39           HB3      LYS  39  -7.576   3.009 -12.807
  297    HG2  LYS  39           HG2      LYS  39  -8.414   2.438 -10.497
  298    HG3  LYS  39           HG3      LYS  39 -10.027   2.175 -11.194
  299    HD2  LYS  39           HD2      LYS  39  -7.494   0.720 -12.044
  300    HD3  LYS  39           HD3      LYS  39  -8.689   0.083 -10.890
  301    HE2  LYS  39           HE2      LYS  39 -10.438   0.199 -12.621
  302    HE3  LYS  39           HE3      LYS  39  -9.263   0.841 -13.781
  303    HZ1  LYS  39           HZ1      LYS  39  -9.568  -1.516 -14.044
  304    HZ2  LYS  39           HZ2      LYS  39  -8.026  -1.203 -13.572
  305    HZ3  LYS  39           HZ3      LYS  39  -9.115  -1.802 -12.491
  306    H    TYR  40           H        TYR  40  -9.761   5.449  -9.828
  307    HA   TYR  40           HA       TYR  40 -12.615   5.413 -10.706
  308    HB2  TYR  40           HB2      TYR  40 -11.296   4.620  -8.109
  309    HB3  TYR  40           HB3      TYR  40 -12.984   5.142  -8.152
  310    HD1  TYR  40           HD2      TYR  40 -14.700   3.868  -9.330
  311    HD2  TYR  40           HD1      TYR  40 -10.652   2.452  -9.008
  312    HE1  TYR  40           HE2      TYR  40 -15.453   1.595  -9.970
  313    HE2  TYR  40           HE1      TYR  40 -11.387   0.186  -9.715
  314    HH   TYR  40           HH       TYR  40 -13.166  -1.147 -10.253
  315    H    GLY  41           H        GLY  41 -10.004   7.411  -9.875
  316    HA2  GLY  41           HA2      GLY  41 -11.498   9.787  -9.871
  317    HA3  GLY  41           HA3      GLY  41 -11.319   9.302  -8.182
  318    H    LYS  42           H        LYS  42 -10.237  11.684  -8.972
  319    HA   LYS  42           HA       LYS  42  -7.420  11.378  -9.657
  320    HB2  LYS  42           HB2      LYS  42  -8.559  13.378 -10.393
  321    HB3  LYS  42           HB3      LYS  42  -9.152  13.713  -8.757
  322    HG2  LYS  42           HG2      LYS  42  -7.268  15.183  -9.286
  323    HG3  LYS  42           HG3      LYS  42  -6.872  14.098  -7.948
  324    HD2  LYS  42           HD2      LYS  42  -5.674  12.588  -9.583
  325    HD3  LYS  42           HD3      LYS  42  -5.957  13.814 -10.833
  326    HE2  LYS  42           HE2      LYS  42  -4.789  15.491  -9.414
  327    HE3  LYS  42           HE3      LYS  42  -4.517  14.248  -8.181
  328    HZ1  LYS  42           HZ1      LYS  42  -2.597  14.529  -9.590
  329    HZ2  LYS  42           HZ2      LYS  42  -3.221  13.020  -9.773
  330    HZ3  LYS  42           HZ3      LYS  42  -3.468  14.159 -10.933
  331    H    ILE  43           H        ILE  43  -6.033  10.538  -8.212
  332    HA   ILE  43           HA       ILE  43  -6.503  10.914  -5.331
  333    HB   ILE  43           HB       ILE  43  -4.321   9.448  -6.862
  334   HG12  ILE  43          HG12      ILE  43  -6.776   8.512  -5.322
  335   HG13  ILE  43          HG13      ILE  43  -6.556   8.445  -7.083
  336   HG21  ILE  43          HG21      ILE  43  -3.685   8.527  -4.664
  337   HG22  ILE  43          HG22      ILE  43  -3.542  10.285  -4.657
  338   HG23  ILE  43          HG23      ILE  43  -4.946   9.509  -3.876
  339   HD11  ILE  43          HD11      ILE  43  -4.967   6.887  -4.998
  340   HD12  ILE  43          HD12      ILE  43  -6.162   6.249  -6.131
  341   HD13  ILE  43          HD13      ILE  43  -4.617   6.900  -6.744
  342    H    VAL  44           H        VAL  44  -5.590  12.443  -4.129
  343    HA   VAL  44           HA       VAL  44  -3.299  13.976  -5.267
  344    HB   VAL  44           HB       VAL  44  -4.176  15.902  -3.888
  345   HG11  VAL  44          HG11      VAL  44  -5.993  14.849  -6.089
  346   HG12  VAL  44          HG12      VAL  44  -5.813  16.548  -5.582
  347   HG13  VAL  44          HG13      VAL  44  -4.454  15.700  -6.355
  348   HG21  VAL  44          HG21      VAL  44  -5.700  14.569  -2.425
  349   HG22  VAL  44          HG22      VAL  44  -6.554  15.874  -3.273
  350   HG23  VAL  44          HG23      VAL  44  -6.714  14.201  -3.845
  351    H    GLY  45           H        GLY  45  -3.984  11.634  -3.161
  352    HA2  GLY  45           HA2      GLY  45  -1.484  11.954  -1.807
  353    HA3  GLY  45           HA3      GLY  45  -2.828  12.304  -0.701
  354    H    CYS  46           H        CYS  46  -0.848   9.970  -0.840
  355    HA   CYS  46           HA       CYS  46  -2.853   7.875  -0.432
  356    HB2  CYS  46           HB2      CYS  46  -2.420   7.758  -2.863
  357    HB3  CYS  46           HB3      CYS  46  -0.675   7.625  -2.559
  358    HG   CYS  46           HG       CYS  46  -3.066   5.640  -1.402
  359    H    SER  47           H        SER  47  -2.095   6.198   0.880
  360    HA   SER  47           HA       SER  47   0.765   6.047   1.521
  361    HB2  SER  47           HB2      SER  47   0.411   6.235   3.930
  362    HB3  SER  47           HB3      SER  47  -0.124   7.724   3.118
  363    HG   SER  47           HG       SER  47  -1.734   7.167   4.497
  364    H    VAL  48           H        VAL  48   1.264   4.042   2.713
  365    HA   VAL  48           HA       VAL  48  -0.905   2.058   2.797
  366    HB   VAL  48           HB       VAL  48  -0.164   1.843   0.530
  367   HG11  VAL  48          HG11      VAL  48   2.660   1.640   1.641
  368   HG12  VAL  48          HG12      VAL  48   2.182   1.310  -0.039
  369   HG13  VAL  48          HG13      VAL  48   1.990   2.942   0.623
  370   HG21  VAL  48          HG21      VAL  48  -0.583  -0.268   1.800
  371   HG22  VAL  48          HG22      VAL  48   0.577  -0.453   0.464
  372   HG23  VAL  48          HG23      VAL  48   1.160  -0.372   2.136
  373    H    HIS  49           H        HIS  49  -0.510   0.318   4.133
  374    HA   HIS  49           HA       HIS  49   1.865   0.502   5.906
  375    HB2  HIS  49           HB2      HIS  49  -0.996   0.319   6.907
  376    HB3  HIS  49           HB3      HIS  49   0.462   0.653   7.848
  377    HD2  HIS  49           HD3      HIS  49  -2.111   2.301   5.510
  378    HE1  HIS  49           HE1      HIS  49   0.294   5.460   7.020
  379    HE2  HIS  49           HE2      HIS  49  -1.772   4.899   5.650
  380    H    LYS  50           H        LYS  50   1.214  -1.492   7.719
  381    HA   LYS  50           HA       LYS  50   0.875  -3.836   5.960
  382    HB2  LYS  50           HB2      LYS  50   1.509  -3.675   8.928
  383    HB3  LYS  50           HB3      LYS  50   1.374  -5.160   7.963
  384    HG2  LYS  50           HG2      LYS  50   3.112  -4.020   6.382
  385    HG3  LYS  50           HG3      LYS  50   3.455  -2.966   7.764
  386    HD2  LYS  50           HD2      LYS  50   3.616  -6.007   7.641
  387    HD3  LYS  50           HD3      LYS  50   4.985  -4.892   7.733
  388    HE2  LYS  50           HE2      LYS  50   2.856  -5.267   9.882
  389    HE3  LYS  50           HE3      LYS  50   4.463  -5.999   9.897
  390    HZ1  LYS  50           HZ1      LYS  50   5.410  -3.791   9.928
  391    HZ2  LYS  50           HZ2      LYS  50   3.921  -3.100   9.918
  392    HZ3  LYS  50           HZ3      LYS  50   4.399  -3.999  11.210
  393    H    GLY  51           H        GLY  51  -0.844  -5.084   5.821
  394    HA2  GLY  51           HA2      GLY  51  -2.916  -5.968   6.185
  395    HA3  GLY  51           HA3      GLY  51  -2.956  -5.176   7.772
  396    H    PHE  52           H        PHE  52  -2.383  -2.504   6.077
  397    HA   PHE  52           HA       PHE  52  -4.956  -2.239   4.716
  398    HB2  PHE  52           HB2      PHE  52  -5.732  -0.364   6.055
  399    HB3  PHE  52           HB3      PHE  52  -5.626  -1.823   7.029
  400    HD1  PHE  52           HD1      PHE  52  -3.719  -2.093   8.659
  401    HD2  PHE  52           HD2      PHE  52  -4.475   1.585   6.573
  402    HE1  PHE  52           HE1      PHE  52  -2.301  -0.882  10.293
  403    HE2  PHE  52           HE2      PHE  52  -3.049   2.800   8.200
  404    HZ   PHE  52           HZ       PHE  52  -1.949   1.563  10.053
  405    H    ALA  53           H        ALA  53  -5.261   0.031   3.891
  406    HA   ALA  53           HA       ALA  53  -2.836   1.671   3.645
  407    HB1  ALA  53           HB1      ALA  53  -2.693   0.076   1.759
  408    HB2  ALA  53           HB2      ALA  53  -4.323   0.543   1.232
  409    HB3  ALA  53           HB3      ALA  53  -2.995   1.731   1.189
  410    H    PHE  54           H        PHE  54  -3.406   3.756   2.436
  411    HA   PHE  54           HA       PHE  54  -6.255   4.508   2.770
  412    HB2  PHE  54           HB2      PHE  54  -3.884   5.619   4.228
  413    HB3  PHE  54           HB3      PHE  54  -5.133   6.743   3.700
  414    HD1  PHE  54           HD1      PHE  54  -7.607   6.044   4.211
  415    HD2  PHE  54           HD2      PHE  54  -4.157   4.636   6.364
  416    HE1  PHE  54           HE1      PHE  54  -9.051   5.456   6.138
  417    HE2  PHE  54           HE2      PHE  54  -5.601   4.056   8.288
  418    HZ   PHE  54           HZ       PHE  54  -8.045   4.452   8.173
  419    H    VAL  55           H        VAL  55  -6.962   6.171   1.475
  420    HA   VAL  55           HA       VAL  55  -5.027   7.325  -0.464
  421    HB   VAL  55           HB       VAL  55  -7.693   6.035  -1.176
  422   HG11  VAL  55          HG11      VAL  55  -5.611   7.465  -2.881
  423   HG12  VAL  55          HG12      VAL  55  -6.995   6.550  -3.518
  424   HG13  VAL  55          HG13      VAL  55  -7.275   8.020  -2.561
  425   HG21  VAL  55          HG21      VAL  55  -5.897   4.370  -0.803
  426   HG22  VAL  55          HG22      VAL  55  -6.284   4.496  -2.524
  427   HG23  VAL  55          HG23      VAL  55  -4.823   5.285  -1.889
  428    H    GLN  56           H        GLN  56  -5.579   9.372  -1.194
  429    HA   GLN  56           HA       GLN  56  -7.869  10.708   0.171
  430    HB2  GLN  56           HB2      GLN  56  -5.767  11.282   1.255
  431    HB3  GLN  56           HB3      GLN  56  -5.020  11.661  -0.305
  432    HG2  GLN  56           HG2      GLN  56  -5.599  13.717   0.835
  433    HG3  GLN  56           HG3      GLN  56  -6.626  13.541  -0.595
  434   HE21  GLN  56          HE21      GLN  56  -8.858  13.136  -0.345
  435   HE22  GLN  56          HE22      GLN  56  -9.673  13.287   1.194
  436    H    TYR  57           H        TYR  57  -9.323  11.022  -1.407
  437    HA   TYR  57           HA       TYR  57  -8.461  11.749  -4.130
  438    HB2  TYR  57           HB2      TYR  57 -11.187  11.257  -2.876
  439    HB3  TYR  57           HB3      TYR  57 -10.943  11.789  -4.532
  440    HD1  TYR  57           HD2      TYR  57  -8.872  10.261  -5.679
  441    HD2  TYR  57           HD1      TYR  57 -11.792   9.024  -2.779
  442    HE1  TYR  57           HE2      TYR  57  -8.771   7.937  -6.568
  443    HE2  TYR  57           HE1      TYR  57 -11.709   6.699  -3.694
  444    HH   TYR  57           HH       TYR  57 -10.783   5.314  -5.202
  445    H    VAL  58           H        VAL  58 -10.160  13.519  -5.065
  446    HA   VAL  58           HA       VAL  58  -9.434  15.967  -3.644
  447    HB   VAL  58           HB       VAL  58 -10.894  15.473  -6.270
  448   HG11  VAL  58          HG11      VAL  58  -9.785  18.042  -5.064
  449   HG12  VAL  58          HG12      VAL  58 -10.358  17.870  -6.739
  450   HG13  VAL  58          HG13      VAL  58 -11.498  17.683  -5.396
  451   HG21  VAL  58          HG21      VAL  58  -8.519  14.736  -6.248
  452   HG22  VAL  58          HG22      VAL  58  -8.745  16.165  -7.272
  453   HG23  VAL  58          HG23      VAL  58  -8.038  16.341  -5.647
  454    H    ASN  59           H        ASN  59 -12.253  13.909  -4.019
  455    HA   ASN  59           HA       ASN  59 -13.828  15.658  -2.251
  456    HB2  ASN  59           HB2      ASN  59 -15.726  15.746  -3.846
  457    HB3  ASN  59           HB3      ASN  59 -14.299  16.596  -4.451
  458   HD21  ASN  59          HD21      ASN  59 -13.875  16.225  -6.558
  459   HD22  ASN  59          HD22      ASN  59 -14.242  14.731  -7.409
  460    H    GLU  60           H        GLU  60 -16.126  14.624  -2.033
  461    HA   GLU  60           HA       GLU  60 -15.734  11.980  -0.949
  462    HB2  GLU  60           HB2      GLU  60 -17.205  13.444   0.195
  463    HB3  GLU  60           HB3      GLU  60 -18.084  13.868  -1.286
  464    HG2  GLU  60           HG2      GLU  60 -19.095  11.691  -1.436
  465    HG3  GLU  60           HG3      GLU  60 -18.066  11.053  -0.153
  466    H    ARG  61           H        ARG  61 -17.228  13.271  -3.908
  467    HA   ARG  61           HA       ARG  61 -18.707  10.995  -4.688
  468    HB2  ARG  61           HB2      ARG  61 -19.226  12.857  -5.905
  469    HB3  ARG  61           HB3      ARG  61 -17.588  13.492  -5.852
  470    HG2  ARG  61           HG2      ARG  61 -18.069  13.058  -8.126
  471    HG3  ARG  61           HG3      ARG  61 -16.859  11.908  -7.587
  472    HD2  ARG  61           HD2      ARG  61 -18.486  10.714  -8.913
  473    HD3  ARG  61           HD3      ARG  61 -18.730  10.236  -7.215
  474    HE   ARG  61           HE       ARG  61 -20.414  12.467  -7.926
  475   HH11  ARG  61          HH11      ARG  61 -20.100   8.963  -8.257
  476   HH12  ARG  61          HH12      ARG  61 -21.819   8.706  -8.428
  477   HH21  ARG  61          HH21      ARG  61 -22.646  12.112  -8.162
  478   HH22  ARG  61          HH22      ARG  61 -23.261  10.488  -8.374
  479    H    ASN  62           H        ASN  62 -15.268  11.827  -5.184
  480    HA   ASN  62           HA       ASN  62 -14.679   9.583  -6.880
  481    HB2  ASN  62           HB2      ASN  62 -13.080  11.524  -5.195
  482    HB3  ASN  62           HB3      ASN  62 -12.287  10.152  -5.992
  483   HD21  ASN  62          HD21      ASN  62 -14.925  12.394  -7.082
  484   HD22  ASN  62          HD22      ASN  62 -14.108  12.817  -8.580
  485    H    ALA  63           H        ALA  63 -14.707  10.074  -3.327
  486    HA   ALA  63           HA       ALA  63 -13.387   7.578  -2.729
  487    HB1  ALA  63           HB1      ALA  63 -15.277   9.263  -1.042
  488    HB2  ALA  63           HB2      ALA  63 -14.236   7.952  -0.460
  489    HB3  ALA  63           HB3      ALA  63 -13.507   9.440  -1.125
  490    H    ARG  64           H        ARG  64 -16.852   8.518  -3.022
  491    HA   ARG  64           HA       ARG  64 -17.866   5.975  -2.218
  492    HB2  ARG  64           HB2      ARG  64 -19.027   8.031  -4.157
  493    HB3  ARG  64           HB3      ARG  64 -19.941   6.724  -3.405
  494    HG2  ARG  64           HG2      ARG  64 -18.571   8.963  -1.862
  495    HG3  ARG  64           HG3      ARG  64 -20.273   8.966  -2.336
  496    HD2  ARG  64           HD2      ARG  64 -20.657   6.918  -1.012
  497    HD3  ARG  64           HD3      ARG  64 -18.946   6.892  -0.547
  498    HE   ARG  64           HE       ARG  64 -19.986   9.448   0.105
  499   HH11  ARG  64          HH11      ARG  64 -20.431   6.087   1.131
  500   HH12  ARG  64          HH12      ARG  64 -20.774   6.545   2.791
  501   HH21  ARG  64          HH21      ARG  64 -20.505   9.986   2.206
  502   HH22  ARG  64          HH22      ARG  64 -20.876   8.747   3.388
  503    H    ALA  65           H        ALA  65 -16.443   7.144  -5.220
  504    HA   ALA  65           HA       ALA  65 -17.589   5.182  -6.966
  505    HB1  ALA  65           HB1      ALA  65 -14.974   6.712  -7.208
  506    HB2  ALA  65           HB2      ALA  65 -15.863   5.932  -8.526
  507    HB3  ALA  65           HB3      ALA  65 -16.566   7.344  -7.699
  508    H    ALA  66           H        ALA  66 -14.509   5.316  -5.080
  509    HA   ALA  66           HA       ALA  66 -13.808   2.645  -6.109
  510    HB1  ALA  66           HB1      ALA  66 -12.115   4.389  -5.937
  511    HB2  ALA  66           HB2      ALA  66 -12.369   4.485  -4.174
  512    HB3  ALA  66           HB3      ALA  66 -11.712   2.999  -4.905
  513    H    VAL  67           H        VAL  67 -15.153   4.106  -3.191
  514    HA   VAL  67           HA       VAL  67 -14.706   1.801  -1.505
  515    HB   VAL  67           HB       VAL  67 -16.441   4.286  -1.300
  516   HG11  VAL  67          HG11      VAL  67 -16.294   1.946   0.626
  517   HG12  VAL  67          HG12      VAL  67 -16.929   3.568   1.034
  518   HG13  VAL  67          HG13      VAL  67 -17.745   2.575  -0.192
  519   HG21  VAL  67          HG21      VAL  67 -13.968   4.421  -0.947
  520   HG22  VAL  67          HG22      VAL  67 -14.886   4.787   0.527
  521   HG23  VAL  67          HG23      VAL  67 -14.115   3.201   0.342
  522    H    ALA  68           H        ALA  68 -17.096   2.625  -3.925
  523    HA   ALA  68           HA       ALA  68 -18.560   0.122  -3.216
  524    HB1  ALA  68           HB1      ALA  68 -19.429   2.458  -4.961
  525    HB2  ALA  68           HB2      ALA  68 -20.400   1.031  -4.559
  526    HB3  ALA  68           HB3      ALA  68 -19.935   2.171  -3.280
  527    H    GLY  69           H        GLY  69 -16.206   1.329  -5.371
  528    HA2  GLY  69           HA2      GLY  69 -17.053  -0.413  -7.610
  529    HA3  GLY  69           HA3      GLY  69 -15.745   0.789  -7.602
  530    H    GLU  70           H        GLU  70 -14.361  -0.117  -5.241
  531    HA   GLU  70           HA       GLU  70 -13.108  -2.578  -6.389
  532    HB2  GLU  70           HB2      GLU  70 -12.039  -0.338  -4.638
  533    HB3  GLU  70           HB3      GLU  70 -11.117  -1.785  -5.077
  534    HG2  GLU  70           HG2      GLU  70 -12.311   0.130  -7.116
  535    HG3  GLU  70           HG3      GLU  70 -10.657   0.240  -6.501
  536    H    ASP  71           H        ASP  71 -15.014  -1.538  -3.680
  537    HA   ASP  71           HA       ASP  71 -13.771  -3.065  -1.644
  538    HB2  ASP  71           HB2      ASP  71 -15.430  -1.419  -1.099
  539    HB3  ASP  71           HB3      ASP  71 -16.645  -2.216  -2.090
  540    H    GLY  72           H        GLY  72 -13.623  -5.180  -1.232
  541    HA2  GLY  72           HA2      GLY  72 -14.271  -7.394  -1.124
  542    HA3  GLY  72           HA3      GLY  72 -15.645  -7.063  -2.196
  543    H    ARG  73           H        ARG  73 -12.627  -5.843  -3.397
  544    HA   ARG  73           HA       ARG  73 -12.673  -7.961  -5.448
  545    HB2  ARG  73           HB2      ARG  73 -11.484  -6.584  -6.841
  546    HB3  ARG  73           HB3      ARG  73 -12.555  -5.464  -5.963
  547    HG2  ARG  73           HG2      ARG  73 -10.759  -4.605  -4.660
  548    HG3  ARG  73           HG3      ARG  73  -9.697  -5.968  -5.042
  549    HD2  ARG  73           HD2      ARG  73 -10.721  -4.067  -7.168
  550    HD3  ARG  73           HD3      ARG  73  -9.203  -3.803  -6.281
  551    HE   ARG  73           HE       ARG  73  -9.219  -6.459  -7.308
  552   HH11  ARG  73          HH11      ARG  73  -8.986  -3.126  -8.452
  553   HH12  ARG  73          HH12      ARG  73  -8.011  -3.549  -9.842
  554   HH21  ARG  73          HH21      ARG  73  -7.968  -6.984  -9.124
  555   HH22  ARG  73          HH22      ARG  73  -7.453  -5.738 -10.235
  556    H    MET  74           H        MET  74 -10.638  -8.970  -6.198
  557    HA   MET  74           HA       MET  74  -8.868  -9.524  -3.892
  558    HB2  MET  74           HB2      MET  74  -9.818 -11.489  -4.848
  559    HB3  MET  74           HB3      MET  74  -9.350 -11.013  -6.494
  560    HG2  MET  74           HG2      MET  74  -7.060 -11.361  -6.084
  561    HG3  MET  74           HG3      MET  74  -7.262 -11.285  -4.330
  562    HE1  MET  74           HE1      MET  74  -8.569 -14.607  -3.208
  563    HE2  MET  74           HE2      MET  74  -7.896 -13.004  -2.810
  564    HE3  MET  74           HE3      MET  74  -9.511 -13.126  -3.528
  565    H    ILE  75           H        ILE  75  -6.773  -9.079  -3.841
  566    HA   ILE  75           HA       ILE  75  -5.337  -8.217  -6.267
  567    HB   ILE  75           HB       ILE  75  -5.333  -6.644  -3.659
  568   HG12  ILE  75          HG12      ILE  75  -6.462  -5.860  -6.387
  569   HG13  ILE  75          HG13      ILE  75  -7.437  -6.334  -4.986
  570   HG21  ILE  75          HG21      ILE  75  -3.161  -6.653  -4.821
  571   HG22  ILE  75          HG22      ILE  75  -3.961  -6.104  -6.316
  572   HG23  ILE  75          HG23      ILE  75  -3.906  -5.056  -4.876
  573   HD11  ILE  75          HD11      ILE  75  -5.667  -3.879  -5.172
  574   HD12  ILE  75          HD12      ILE  75  -7.442  -3.947  -5.096
  575   HD13  ILE  75          HD13      ILE  75  -6.474  -4.433  -3.688
  576    H    ALA  76           H        ALA  76  -3.293  -9.047  -6.271
  577    HA   ALA  76           HA       ALA  76  -1.573 -10.391  -5.707
  578    HB1  ALA  76           HB1      ALA  76  -0.395  -9.804  -3.650
  579    HB2  ALA  76           HB2      ALA  76  -0.998  -8.348  -4.471
  580    HB3  ALA  76           HB3      ALA  76  -1.851  -8.983  -3.039
  581    H    GLY  77           H        GLY  77  -4.458 -11.378  -4.859
  582    HA2  GLY  77           HA2      GLY  77  -4.788 -13.724  -4.582
  583    HA3  GLY  77           HA3      GLY  77  -3.337 -13.810  -3.574
  584    H    GLN  78           H        GLN  78  -4.972 -11.072  -2.538
  585    HA   GLN  78           HA       GLN  78  -6.796 -12.588  -0.726
  586    HB2  GLN  78           HB2      GLN  78  -4.820 -10.407   0.064
  587    HB3  GLN  78           HB3      GLN  78  -6.190 -10.920   1.054
  588    HG2  GLN  78           HG2      GLN  78  -4.902 -12.483   1.947
  589    HG3  GLN  78           HG3      GLN  78  -4.928 -13.332   0.396
  590   HE21  GLN  78          HE21      GLN  78  -3.233 -12.592  -1.226
  591   HE22  GLN  78          HE22      GLN  78  -1.646 -12.200  -0.596
  592    H    VAL  79           H        VAL  79  -8.559 -11.357   0.100
  593    HA   VAL  79           HA       VAL  79  -9.372  -9.171  -1.737
  594    HB   VAL  79           HB       VAL  79 -10.952 -10.809   0.276
  595   HG11  VAL  79          HG11      VAL  79 -11.892  -8.675  -1.692
  596   HG12  VAL  79          HG12      VAL  79 -12.951  -9.751  -0.758
  597   HG13  VAL  79          HG13      VAL  79 -11.944  -8.563   0.084
  598   HG21  VAL  79          HG21      VAL  79 -10.940 -10.754  -2.776
  599   HG22  VAL  79          HG22      VAL  79 -10.280 -12.053  -1.748
  600   HG23  VAL  79          HG23      VAL  79 -12.026 -11.727  -1.764
  601    H    LEU  80           H        LEU  80 -10.062  -7.188  -1.002
  602    HA   LEU  80           HA       LEU  80  -9.153  -6.475   1.743
  603    HB2  LEU  80           HB2      LEU  80  -8.890  -4.131   0.507
  604    HB3  LEU  80           HB3      LEU  80  -7.580  -5.267   0.731
  605    HG   LEU  80           HG       LEU  80  -7.592  -4.271  -1.480
  606   HD11  LEU  80          HD11      LEU  80  -8.228  -7.210  -1.861
  607   HD12  LEU  80          HD12      LEU  80  -7.158  -6.172  -2.780
  608   HD13  LEU  80          HD13      LEU  80  -6.724  -6.608  -1.112
  609   HD21  LEU  80          HD21      LEU  80  -9.282  -4.688  -3.119
  610   HD22  LEU  80          HD22      LEU  80 -10.068  -4.011  -1.670
  611   HD23  LEU  80          HD23      LEU  80 -10.195  -5.746  -2.011
  612    H    ASP  81           H        ASP  81 -10.350  -5.131   2.939
  613    HA   ASP  81           HA       ASP  81 -13.171  -4.846   2.066
  614    HB2  ASP  81           HB2      ASP  81 -12.720  -6.096   4.140
  615    HB3  ASP  81           HB3      ASP  81 -11.812  -4.724   4.787
  616    H    ILE  82           H        ILE  82 -13.497  -2.932   1.044
  617    HA   ILE  82           HA       ILE  82 -11.925  -0.587   1.950
  618    HB   ILE  82           HB       ILE  82 -13.403  -1.145  -0.633
  619   HG12  ILE  82          HG12      ILE  82 -10.407  -0.901  -0.147
  620   HG13  ILE  82          HG13      ILE  82 -11.254  -2.458  -0.126
  621   HG21  ILE  82          HG21      ILE  82 -13.368   1.265  -0.047
  622   HG22  ILE  82          HG22      ILE  82 -11.597   1.187   0.136
  623   HG23  ILE  82          HG23      ILE  82 -12.354   0.926  -1.454
  624   HD11  ILE  82          HD11      ILE  82 -10.273  -2.037  -2.333
  625   HD12  ILE  82          HD12      ILE  82 -12.049  -2.125  -2.393
  626   HD13  ILE  82          HD13      ILE  82 -11.230  -0.547  -2.491
  627    H    ASN  83           H        ASN  83 -12.903   1.293   2.595
  628    HA   ASN  83           HA       ASN  83 -15.819   1.576   2.529
  629    HB2  ASN  83           HB2      ASN  83 -15.180   0.036   4.500
  630    HB3  ASN  83           HB3      ASN  83 -14.383   1.446   5.207
  631   HD21  ASN  83          HD21      ASN  83 -15.702   3.201   6.024
  632   HD22  ASN  83          HD22      ASN  83 -17.425   2.979   6.236
  633    H    LEU  84           H        LEU  84 -16.468   3.746   3.480
  634    HA   LEU  84           HA       LEU  84 -14.565   5.793   2.845
  635    HB2  LEU  84           HB2      LEU  84 -17.339   5.657   3.530
  636    HB3  LEU  84           HB3      LEU  84 -16.566   6.661   4.758
  637    HG   LEU  84           HG       LEU  84 -15.399   7.820   2.656
  638   HD11  LEU  84          HD11      LEU  84 -16.261   6.241   0.986
  639   HD12  LEU  84          HD12      LEU  84 -17.931   6.628   1.466
  640   HD13  LEU  84          HD13      LEU  84 -16.911   7.871   0.705
  641   HD21  LEU  84          HD21      LEU  84 -17.312   9.391   2.570
  642   HD22  LEU  84          HD22      LEU  84 -16.897   8.921   4.239
  643   HD23  LEU  84          HD23      LEU  84 -18.312   8.201   3.440
  644    H    ALA  85           H        ALA  85 -13.654   7.367   4.473
  645    HA   ALA  85           HA       ALA  85 -12.376   5.782   6.565
  646    HB1  ALA  85           HB1      ALA  85 -11.088   7.259   5.093
  647    HB2  ALA  85           HB2      ALA  85 -12.012   8.663   5.695
  648    HB3  ALA  85           HB3      ALA  85 -10.939   7.757   6.796
  649    H    ALA  86           H        ALA  86 -15.257   7.480   6.522
  650    HA   ALA  86           HA       ALA  86 -15.047   8.022   9.440
  651    HB1  ALA  86           HB1      ALA  86 -14.877  10.127   8.214
  652    HB2  ALA  86           HB2      ALA  86 -16.406   9.775   7.359
  653    HB3  ALA  86           HB3      ALA  86 -16.401  10.043   9.121
  654    H    GLU  87           H        GLU  87 -16.266   5.876   7.474
  655    HA   GLU  87           HA       GLU  87 -18.910   5.842   8.842
  656    HB2  GLU  87           HB2      GLU  87 -18.463   5.223   5.900
  657    HB3  GLU  87           HB3      GLU  87 -19.985   5.067   6.796
  658    HG2  GLU  87           HG2      GLU  87 -19.806   7.537   7.351
  659    HG3  GLU  87           HG3      GLU  87 -18.442   7.624   6.225
  660    HA   PRO  88           HA       PRO  88 -16.599   1.740   8.968
  661    HB2  PRO  88           HB2      PRO  88 -15.872   1.611  11.598
  662    HB3  PRO  88           HB3      PRO  88 -14.896   2.463  10.363
  663    HG2  PRO  88           HG2      PRO  88 -16.947   3.655  12.254
  664    HG3  PRO  88           HG3      PRO  88 -15.256   4.205  11.959
  665    HD2  PRO  88           HD2      PRO  88 -17.372   5.354  10.680
  666    HD3  PRO  88           HD3      PRO  88 -15.807   5.081   9.852
  667    H    LYS  89           H        LYS  89 -19.069   1.564   8.551
  668    HA   LYS  89           HA       LYS  89 -20.684   0.778  10.852
  669    HB2  LYS  89           HB2      LYS  89 -21.073   0.420   7.854
  670    HB3  LYS  89           HB3      LYS  89 -22.294   0.071   9.099
  671    HG2  LYS  89           HG2      LYS  89 -22.235   2.436   9.822
  672    HG3  LYS  89           HG3      LYS  89 -21.024   2.796   8.574
  673    HD2  LYS  89           HD2      LYS  89 -22.630   2.083   6.821
  674    HD3  LYS  89           HD3      LYS  89 -23.851   1.758   8.073
  675    HE2  LYS  89           HE2      LYS  89 -23.755   4.121   8.784
  676    HE3  LYS  89           HE3      LYS  89 -22.530   4.454   7.547
  677    HZ1  LYS  89           HZ1      LYS  89 -25.278   3.539   7.010
  678    HZ2  LYS  89           HZ2      LYS  89 -24.717   5.070   6.805
  679    HZ3  LYS  89           HZ3      LYS  89 -24.131   3.854   5.872
  680    H    VAL  90           H        VAL  90 -18.152  -0.614   9.106
  681    HA   VAL  90           HA       VAL  90 -18.975  -3.404   9.525
  682    HB   VAL  90           HB       VAL  90 -17.757  -2.678   7.483
  683   HG11  VAL  90          HG11      VAL  90 -15.409  -2.242   9.378
  684   HG12  VAL  90          HG12      VAL  90 -15.360  -2.177   7.605
  685   HG13  VAL  90          HG13      VAL  90 -16.294  -0.964   8.508
  686   HG21  VAL  90          HG21      VAL  90 -17.649  -5.021   8.309
  687   HG22  VAL  90          HG22      VAL  90 -16.192  -4.529   7.423
  688   HG23  VAL  90          HG23      VAL  90 -16.151  -4.624   9.192
  689    H    ASN  91           H        ASN  91 -17.653  -4.876  10.807
  690    HA   ASN  91           HA       ASN  91 -17.138  -3.620  13.395
  691    HB2  ASN  91           HB2      ASN  91 -16.901  -6.561  12.744
  692    HB3  ASN  91           HB3      ASN  91 -17.331  -5.803  14.287
  693   HD21  ASN  91          HD21      ASN  91 -18.444  -6.768  11.085
  694   HD22  ASN  91          HD22      ASN  91 -20.157  -6.556  11.390
  695    H    ARG  92           H        ARG  92 -15.261  -3.926  10.782
  696    HA   ARG  92           HA       ARG  92 -13.128  -4.381  10.212
  697    HB2  ARG  92           HB2      ARG  92 -12.747  -3.345  13.030
  698    HB3  ARG  92           HB3      ARG  92 -11.381  -3.796  12.002
  699    HG2  ARG  92           HG2      ARG  92 -12.133  -2.231  10.255
  700    HG3  ARG  92           HG3      ARG  92 -13.526  -1.762  11.252
  701    HD2  ARG  92           HD2      ARG  92 -10.603  -1.399  12.042
  702    HD3  ARG  92           HD3      ARG  92 -11.625  -0.128  11.373
  703    HE   ARG  92           HE       ARG  92 -13.139  -0.515  13.369
  704   HH11  ARG  92          HH11      ARG  92  -9.650  -1.186  13.563
  705   HH12  ARG  92          HH12      ARG  92  -9.597  -0.924  15.286
  706   HH21  ARG  92          HH21      ARG  92 -13.005  -0.187  15.610
  707   HH22  ARG  92          HH22      ARG  92 -11.478  -0.364  16.437
  708    H    GLY  93           H        GLY  93 -12.804  -5.526  13.519
  709    HA2  GLY  93           HA2      GLY  93 -12.565  -7.655  14.393
  710    HA3  GLY  93           HA3      GLY  93 -13.189  -8.293  12.848
  711    H    LYS  94           H        LYS  94 -10.612  -6.454  11.959
  712    HA   LYS  94           HA       LYS  94  -8.602  -6.964  11.077
  713    HB2  LYS  94           HB2      LYS  94  -8.234  -8.545  13.625
  714    HB3  LYS  94           HB3      LYS  94  -6.966  -7.888  12.567
  715    HG2  LYS  94           HG2      LYS  94  -7.954  -5.582  12.977
  716    HG3  LYS  94           HG3      LYS  94  -8.999  -6.310  14.204
  717    HD2  LYS  94           HD2      LYS  94  -5.950  -6.363  14.214
  718    HD3  LYS  94           HD3      LYS  94  -6.977  -5.318  15.216
  719    HE2  LYS  94           HE2      LYS  94  -7.992  -7.319  16.265
  720    HE3  LYS  94           HE3      LYS  94  -6.956  -8.364  15.281
  721    HZ1  LYS  94           HZ1      LYS  94  -6.043  -8.014  17.466
  722    HZ2  LYS  94           HZ2      LYS  94  -5.046  -7.357  16.337
  723    HZ3  LYS  94           HZ3      LYS  94  -6.010  -6.384  17.243
  724    H    ALA  95           H        ALA  95 -10.910  -9.145  10.857
  725    HA   ALA  95           HA       ALA  95  -9.271 -10.911   9.169
  726    HB1  ALA  95           HB1      ALA  95 -10.942 -11.969  11.489
  727    HB2  ALA  95           HB2      ALA  95 -10.096 -12.960  10.276
  728    HB3  ALA  95           HB3      ALA  95  -9.165 -11.965  11.415
  729    H    GLY  96           H        GLY  96 -12.307  -9.445  10.080
  730    HA2  GLY  96           HA2      GLY  96 -14.186  -9.152   8.809
  731    HA3  GLY  96           HA3      GLY  96 -13.456 -10.123   7.508
  732    H    VAL  97           H        VAL  97 -13.352 -11.731  10.517
  733    HA   VAL  97           HA       VAL  97 -15.299 -13.693   9.588
  734    HB   VAL  97           HB       VAL  97 -13.518 -13.532  12.053
  735   HG11  VAL  97          HG11      VAL  97 -15.198 -15.831  10.975
  736   HG12  VAL  97          HG12      VAL  97 -13.958 -15.981  12.245
  737   HG13  VAL  97          HG13      VAL  97 -15.407 -15.000  12.536
  738   HG21  VAL  97          HG21      VAL  97 -12.313 -13.703   9.888
  739   HG22  VAL  97          HG22      VAL  97 -12.166 -15.200  10.835
  740   HG23  VAL  97          HG23      VAL  97 -13.293 -15.125   9.460
  741    H    LYS  98           H        LYS  98 -15.280 -10.956  11.722
  742    HA   LYS  98           HA       LYS  98 -17.338 -11.802  13.524
  743    HB2  LYS  98           HB2      LYS  98 -16.543  -9.006  12.635
  744    HB3  LYS  98           HB3      LYS  98 -17.530  -9.392  14.052
  745    HG2  LYS  98           HG2      LYS  98 -14.619 -10.188  13.591
  746    HG3  LYS  98           HG3      LYS  98 -15.194  -8.932  14.686
  747    HD2  LYS  98           HD2      LYS  98 -15.744 -11.920  14.925
  748    HD3  LYS  98           HD3      LYS  98 -14.638 -10.975  15.925
  749    HE2  LYS  98           HE2      LYS  98 -17.652 -10.548  15.762
  750    HE3  LYS  98           HE3      LYS  98 -16.809 -11.434  17.041
  751    HZ1  LYS  98           HZ1      LYS  98 -15.626  -9.425  17.589
  752    HZ2  LYS  98           HZ2      LYS  98 -16.414  -8.585  16.415
  753    HZ3  LYS  98           HZ3      LYS  98 -17.246  -9.184  17.700
  754    H    ARG  99           H        ARG  99 -19.530 -11.278  13.613
  755    HA   ARG  99           HA       ARG  99 -20.848 -11.064  10.969
  756    HB2  ARG  99           HB2      ARG  99 -21.553 -12.119  13.683
  757    HB3  ARG  99           HB3      ARG  99 -22.864 -11.418  12.742
  758    HG2  ARG  99           HG2      ARG  99 -22.730 -13.819  12.357
  759    HG3  ARG  99           HG3      ARG  99 -22.407 -12.917  10.869
  760    HD2  ARG  99           HD2      ARG  99 -20.002 -13.292  11.122
  761    HD3  ARG  99           HD3      ARG  99 -20.260 -14.087  12.685
  762    HE   ARG  99           HE       ARG  99 -21.862 -15.471  10.856
  763   HH11  ARG  99          HH11      ARG  99 -18.394 -14.816  11.210
  764   HH12  ARG  99          HH12      ARG  99 -17.929 -16.326  10.468
  765   HH21  ARG  99          HH21      ARG  99 -21.210 -17.408   9.873
  766   HH22  ARG  99          HH22      ARG  99 -19.511 -17.780   9.707
  767    H    SER 100           H        SER 100 -22.567  -9.593  10.578
  768    HA   SER 100           HA       SER 100 -22.219  -6.978  11.883
  769    HB2  SER 100           HB2      SER 100 -22.440  -7.134   9.429
  770    HB3  SER 100           HB3      SER 100 -24.009  -7.943   9.625
  771    HG   SER 100           HG       SER 100 -23.319  -5.294  10.378
  772    H    ALA 101           H        ALA 101 -23.935  -5.870  12.982
  773    HA   ALA 101           HA       ALA 101 -25.473  -7.555  14.689
  774    HB1  ALA 101           HB1      ALA 101 -25.691  -4.564  14.159
  775    HB2  ALA 101           HB2      ALA 101 -26.354  -5.428  15.561
  776    HB3  ALA 101           HB3      ALA 101 -24.595  -5.336  15.333
  777    H    ALA 102           H        ALA 102 -26.058  -6.718  11.472
  778    HA   ALA 102           HA       ALA 102 -29.012  -6.932  11.781
  779    HB1  ALA 102           HB1      ALA 102 -27.272  -6.041   9.454
  780    HB2  ALA 102           HB2      ALA 102 -29.054  -6.031   9.486
  781    HB3  ALA 102           HB3      ALA 102 -28.132  -4.960  10.575
  782    H    GLU 103           H        GLU 103 -26.280  -8.819  11.104
  783    HA   GLU 103           HA       GLU 103 -27.842 -10.675   9.373
  784    HB2  GLU 103           HB2      GLU 103 -24.832 -10.258   9.508
  785    HB3  GLU 103           HB3      GLU 103 -25.678 -11.385   8.439
  786    HG2  GLU 103           HG2      GLU 103 -25.952  -8.350   8.422
  787    HG3  GLU 103           HG3      GLU 103 -25.018  -9.309   7.269
  788    H    MET 104           H        MET 104 -27.147 -10.322  12.491
  789    HA   MET 104           HA       MET 104 -25.712 -12.739  13.111
  790    HB2  MET 104           HB2      MET 104 -27.556 -11.067  14.870
  791    HB3  MET 104           HB3      MET 104 -26.433 -12.327  15.411
  792    HG2  MET 104           HG2      MET 104 -24.637 -10.891  14.132
  793    HG3  MET 104           HG3      MET 104 -25.859  -9.611  14.233
  794    HE1  MET 104           HE1      MET 104 -23.658 -11.633  17.745
  795    HE2  MET 104           HE2      MET 104 -24.911 -12.479  16.800
  796    HE3  MET 104           HE3      MET 104 -23.415 -11.938  16.006
  797    H    TYR 105           H        TYR 105 -29.079 -12.011  12.488
  798    HA   TYR 105           HA       TYR 105 -29.752 -14.884  12.877
  799    HB2  TYR 105           HB2      TYR 105 -31.386 -12.522  13.869
  800    HB3  TYR 105           HB3      TYR 105 -31.882 -14.216  13.921
  801    HD1  TYR 105           HD1      TYR 105 -29.662 -11.662  15.373
  802    HD2  TYR 105           HD2      TYR 105 -30.924 -15.764  15.540
  803    HE1  TYR 105           HE1      TYR 105 -28.579 -11.890  17.600
  804    HE2  TYR 105           HE2      TYR 105 -29.843 -16.013  17.765
  805    HH   TYR 105           HH       TYR 105 -28.124 -13.297  19.352
  806    H    GLY 106           H        GLY 106 -29.723 -12.189  10.880
  807    HA2  GLY 106           HA2      GLY 106 -32.203 -12.434   9.466
  808    HA3  GLY 106           HA3      GLY 106 -30.718 -11.661   8.874
  809    H5'    A   1           H5'        A   1   2.270 -12.775   8.151
  810   H5''    A   1          H5''        A   1   3.875 -12.480   7.435
  811    H4'    A   1           H4'        A   1   3.206 -11.855  10.344
  812    H3'    A   1           H3'        A   1   1.887 -10.513   8.409
  813    H2'    A   1           H2'        A   1   3.735 -10.298   6.921
  814   HO2'    A   1          HO2'        A   1   2.847  -8.188   7.328
  815    H1'    A   1           H1'        A   1   5.486  -9.265   9.110
  816    H8     A   1           H8         A   1   6.050  -8.652   6.219
  817    H61    A   1           H61        A   1  10.188 -13.038   4.736
  818    H62    A   1           H62        A   1   9.513 -11.487   4.270
  819    H2     A   1           H2         A   1   8.154 -14.342   8.382
  820    H5'    U   2           H5'        U   2   0.884  -7.157   9.261
  821   H5''    U   2          H5''        U   2  -0.021  -7.039  10.783
  822    H4'    U   2           H4'        U   2  -1.524  -6.230   9.171
  823    H3'    U   2           H3'        U   2  -2.195  -8.545  10.567
  824    H2'    U   2           H2'        U   2  -1.561  -9.998   8.786
  825   HO2'    U   2          HO2'        U   2  -4.305  -9.324   8.410
  826    H1'    U   2           H1'        U   2  -2.893  -8.107   6.840
  827    H3     U   2           H3         U   2  -2.077 -11.240   3.632
  828    H5     U   2           H5         U   2   1.423 -11.289   5.957
  829    H6     U   2           H6         U   2   0.448  -9.582   7.365
  830    H5'    U   3           H5'        U   3  -4.938  -5.238   8.231
  831   H5''    U   3          H5''        U   3  -4.268  -4.148   9.460
  832    H4'    U   3           H4'        U   3  -5.979  -2.892   8.551
  833    H3'    U   3           H3'        U   3  -6.414  -3.854  11.215
  834    H2'    U   3           H2'        U   3  -8.375  -4.998  10.588
  835   HO2'    U   3          HO2'        U   3  -8.927  -2.804  11.698
  836    H1'    U   3           H1'        U   3  -8.758  -2.892   8.432
  837    H3     U   3           H3         U   3 -12.668  -4.716   7.025
  838    H5     U   3           H5         U   3 -10.598  -8.014   8.620
  839    H6     U   3           H6         U   3  -8.741  -6.519   9.102
  840    H5'    U   4           H5'        U   4  -6.108   0.591   9.786
  841   H5''    U   4          H5''        U   4  -5.234   0.854  11.308
  842    H4'    U   4           H4'        U   4  -5.672   3.005  10.346
  843    H3'    U   4           H3'        U   4  -6.759   2.248  12.919
  844    H2'    U   4           H2'        U   4  -8.960   2.542  12.246
  845   HO2'    U   4          HO2'        U   4  -8.537   4.295  13.732
  846    H1'    U   4           H1'        U   4  -7.980   4.679  10.316
  847    H3     U   4           H3         U   4 -12.077   5.742   8.834
  848    H5     U   4           H5         U   4 -12.445   1.649   9.688
  849    H6     U   4           H6         U   4 -10.137   1.645  10.438
  850    H5'    U   5           H5'        U   5  -3.752   3.260  10.462
  851   H5''    U   5          H5''        U   5  -2.292   3.233  11.464
  852    H4'    U   5           H4'        U   5  -1.603   4.118   9.380
  853    H3'    U   5           H3'        U   5  -1.300   5.635  11.649
  854    H2'    U   5           H2'        U   5  -3.203   6.990  11.349
  855   HO2'    U   5          HO2'        U   5  -1.080   8.279  10.986
  856    H1'    U   5           H1'        U   5  -2.734   7.215   8.395
  857    H3     U   5           H3         U   5  -6.512   9.636   8.160
  858    H5     U   5           H5         U   5  -7.355   6.919  11.253
  859    H6     U   5           H6         U   5  -5.172   5.927  10.885
  860    H5'    U   6           H5'        U   6   1.746   5.061   8.519
  861   H5''    U   6          H5''        U   6   3.235   5.241   9.448
  862    H4'    U   6           H4'        U   6   3.642   5.166   7.022
  863    H3'    U   6           H3'        U   6   4.870   6.895   8.775
  864    H2'    U   6           H2'        U   6   3.445   8.771   8.378
  865   HO2'    U   6          HO2'        U   6   5.599   9.379   7.780
  866    H1'    U   6           H1'        U   6   3.343   8.249   5.427
  867    H3     U   6           H3         U   6   1.064  12.173   5.844
  868    H5     U   6           H5         U   6  -1.231   9.371   7.977
  869    H6     U   6           H6         U   6   0.554   7.778   7.692
  870    H5'    C   7           H5'        C   7   6.581   6.251   9.656
  871   H5''    C   7          H5''        C   7   8.318   6.589   9.785
  872    H4'    C   7           H4'        C   7   7.145   3.788   9.427
  873    H3'    C   7           H3'        C   7   8.146   5.278  11.880
  874    H2'    C   7           H2'        C   7   8.785   3.150  12.723
  875   HO2'    C   7          HO2'        C   7   6.763   2.111  12.132
  876    H1'    C   7           H1'        C   7   9.418   2.112  10.168
  877    H41    C   7           H41        C   7  14.736   4.740  13.172
  878    H42    C   7           H42        C   7  15.041   3.012  13.099
  879    H5     C   7           H5         C   7  13.410   1.415  12.208
  880    H6     C   7           H6         C   7  11.213   1.202  11.213
  Start of MODEL   18
    1    H1   ALA   2           H        ALA   2   2.110  12.334  -6.606
    2    H2   ALA   2           H2       ALA   2   1.703  10.794  -6.158
    3    HA   ALA   2           HA       ALA   2   0.052  13.189  -5.796
    4    HB1  ALA   2           HB1      ALA   2  -1.314  11.188  -6.216
    5    HB2  ALA   2           HB2      ALA   2  -0.447  10.307  -4.937
    6    HB3  ALA   2           HB3      ALA   2  -1.467  11.706  -4.528
    7    H    SER   3           H        SER   3  -0.442  13.461  -3.368
    8    HA   SER   3           HA       SER   3   2.080  13.819  -2.026
    9    HB2  SER   3           HB2      SER   3   0.093  15.360  -1.932
   10    HB3  SER   3           HB3      SER   3  -0.719  14.156  -0.909
   11    HG   SER   3           HG       SER   3   0.436  15.792   0.266
   12    H    ASN   4           H        ASN   4   1.994  13.298   0.478
   13    HA   ASN   4           HA       ASN   4   1.519  10.370   0.763
   14    HB2  ASN   4           HB2      ASN   4   3.545  10.267   2.106
   15    HB3  ASN   4           HB3      ASN   4   3.895  10.894   0.490
   16   HD21  ASN   4          HD21      ASN   4   5.832  11.359   2.213
   17   HD22  ASN   4          HD22      ASN   4   5.826  13.011   2.799
   18    H    VAL   5           H        VAL   5  -0.446  12.417   1.455
   19    HA   VAL   5           HA       VAL   5  -0.630  11.725   4.308
   20    HB   VAL   5           HB       VAL   5   0.512  13.933   4.121
   21   HG11  VAL   5          HG11      VAL   5  -0.780  15.909   3.496
   22   HG12  VAL   5          HG12      VAL   5  -0.700  14.783   2.125
   23   HG13  VAL   5          HG13      VAL   5  -2.187  14.906   3.090
   24   HG21  VAL   5          HG21      VAL   5  -0.867  14.990   5.849
   25   HG22  VAL   5          HG22      VAL   5  -2.234  13.930   5.427
   26   HG23  VAL   5          HG23      VAL   5  -0.746  13.237   6.111
   27    H    THR   6           H        THR   6  -2.598  11.324   4.999
   28    HA   THR   6           HA       THR   6  -5.040  11.979   3.501
   29    HB   THR   6           HB       THR   6  -5.671   9.807   2.985
   30    HG1  THR   6           HG1      THR   6  -3.724   9.022   4.844
   31   HG21  THR   6          HG21      THR   6  -2.654   9.599   2.624
   32   HG22  THR   6          HG22      THR   6  -3.903   8.682   1.756
   33   HG23  THR   6          HG23      THR   6  -3.766  10.432   1.496
   34    H    ASN   7           H        ASN   7  -3.632  12.381   6.262
   35    HA   ASN   7           HA       ASN   7  -5.624  10.950   7.937
   36    HB2  ASN   7           HB2      ASN   7  -4.011  10.926   9.719
   37    HB3  ASN   7           HB3      ASN   7  -3.391  10.140   8.268
   38   HD21  ASN   7          HD21      ASN   7  -1.457  10.679   9.922
   39   HD22  ASN   7          HD22      ASN   7  -0.571  12.138   9.520
   40    H    LYS   8           H        LYS   8  -5.578  13.850   6.658
   41    HA   LYS   8           HA       LYS   8  -5.791  15.644   8.918
   42    HB2  LYS   8           HB2      LYS   8  -6.720  15.639   6.039
   43    HB3  LYS   8           HB3      LYS   8  -7.358  16.841   7.164
   44    HG2  LYS   8           HG2      LYS   8  -5.489  17.719   5.884
   45    HG3  LYS   8           HG3      LYS   8  -5.158  17.732   7.616
   46    HD2  LYS   8           HD2      LYS   8  -4.196  15.454   5.871
   47    HD3  LYS   8           HD3      LYS   8  -3.307  16.977   5.923
   48    HE2  LYS   8           HE2      LYS   8  -3.944  15.284   8.376
   49    HE3  LYS   8           HE3      LYS   8  -2.405  15.300   7.518
   50    HZ1  LYS   8           HZ1      LYS   8  -2.188  17.632   8.033
   51    HZ2  LYS   8           HZ2      LYS   8  -3.622  17.633   8.840
   52    HZ3  LYS   8           HZ3      LYS   8  -2.355  16.755   9.406
   53    H    THR   9           H        THR   9  -7.995  16.723   9.440
   54    HA   THR   9           HA       THR   9 -10.079  14.604   9.608
   55    HB   THR   9           HB       THR   9 -10.504  15.242  11.970
   56    HG1  THR   9           HG1      THR   9  -9.453  17.247  11.977
   57   HG21  THR   9          HG21      THR   9  -7.686  14.222  11.419
   58   HG22  THR   9          HG22      THR   9  -8.646  13.952  12.890
   59   HG23  THR   9          HG23      THR   9  -9.167  13.242  11.353
   60    H    ASP  10           H        ASP  10  -9.806  16.968   7.862
   61    HA   ASP  10           HA       ASP  10 -11.656  18.969   8.795
   62    HB2  ASP  10           HB2      ASP  10 -10.573  18.244   6.051
   63    HB3  ASP  10           HB3      ASP  10 -11.593  19.646   6.357
   64    HA   PRO  11           HA       PRO  11 -15.495  17.134   8.205
   65    HB2  PRO  11           HB2      PRO  11 -17.085  19.179   7.282
   66    HB3  PRO  11           HB3      PRO  11 -16.407  19.115   8.945
   67    HG2  PRO  11           HG2      PRO  11 -15.293  20.576   6.529
   68    HG3  PRO  11           HG3      PRO  11 -15.579  21.227   8.179
   69    HD2  PRO  11           HD2      PRO  11 -13.130  20.356   7.430
   70    HD3  PRO  11           HD3      PRO  11 -13.752  19.982   9.065
   71    H    ARG  12           H        ARG  12 -13.808  18.143   5.384
   72    HA   ARG  12           HA       ARG  12 -15.722  16.526   3.752
   73    HB2  ARG  12           HB2      ARG  12 -15.296  17.898   1.834
   74    HB3  ARG  12           HB3      ARG  12 -15.838  18.914   3.174
   75    HG2  ARG  12           HG2      ARG  12 -14.118  20.178   2.305
   76    HG3  ARG  12           HG3      ARG  12 -13.272  19.316   3.594
   77    HD2  ARG  12           HD2      ARG  12 -12.424  17.676   1.920
   78    HD3  ARG  12           HD3      ARG  12 -13.345  18.504   0.651
   79    HE   ARG  12           HE       ARG  12 -11.527  20.264   2.092
   80   HH11  ARG  12          HH11      ARG  12 -11.794  17.934  -0.543
   81   HH12  ARG  12          HH12      ARG  12 -10.409  18.558  -1.409
   82   HH21  ARG  12          HH21      ARG  12  -9.729  21.079   0.952
   83   HH22  ARG  12          HH22      ARG  12  -9.249  20.352  -0.563
   84    H    SER  13           H        SER  13 -12.533  16.834   4.973
   85    HA   SER  13           HA       SER  13 -11.354  15.235   2.816
   86    HB2  SER  13           HB2      SER  13 -10.185  16.170   5.454
   87    HB3  SER  13           HB3      SER  13  -9.295  15.416   4.112
   88    HG   SER  13           HG       SER  13  -9.201  17.708   4.042
   89    H    MET  14           H        MET  14 -12.861  14.779   5.936
   90    HA   MET  14           HA       MET  14 -11.860  12.110   6.442
   91    HB2  MET  14           HB2      MET  14 -14.101  13.869   7.468
   92    HB3  MET  14           HB3      MET  14 -14.012  12.172   7.967
   93    HG2  MET  14           HG2      MET  14 -11.427  13.589   8.128
   94    HG3  MET  14           HG3      MET  14 -12.678  14.265   9.173
   95    HE1  MET  14           HE1      MET  14 -11.552   9.765   9.411
   96    HE2  MET  14           HE2      MET  14 -12.659  10.433   8.200
   97    HE3  MET  14           HE3      MET  14 -10.924  10.841   8.141
   98    H    ASN  15           H        ASN  15 -14.117  13.395   4.185
   99    HA   ASN  15           HA       ASN  15 -15.183  10.664   3.765
  100    HB2  ASN  15           HB2      ASN  15 -17.276  11.873   2.880
  101    HB3  ASN  15           HB3      ASN  15 -17.023  11.776   4.630
  102   HD21  ASN  15          HD21      ASN  15 -16.469  13.616   5.824
  103   HD22  ASN  15          HD22      ASN  15 -16.682  15.227   5.169
  104    H    SER  16           H        SER  16 -12.984  12.657   2.539
  105    HA   SER  16           HA       SER  16 -13.738  12.022  -0.273
  106    HB2  SER  16           HB2      SER  16 -12.249  13.787  -0.970
  107    HB3  SER  16           HB3      SER  16 -13.381  14.438   0.240
  108    HG   SER  16           HG       SER  16 -11.185  15.023   0.604
  109    H    ARG  17           H        ARG  17 -12.186  10.574   2.148
  110    HA   ARG  17           HA       ARG  17 -10.036   9.551   0.338
  111    HB2  ARG  17           HB2      ARG  17  -8.589   9.248   2.196
  112    HB3  ARG  17           HB3      ARG  17  -9.230  10.901   2.294
  113    HG2  ARG  17           HG2      ARG  17 -10.895  10.108   3.974
  114    HG3  ARG  17           HG3      ARG  17 -10.202   8.459   3.831
  115    HD2  ARG  17           HD2      ARG  17  -9.266   9.557   5.771
  116    HD3  ARG  17           HD3      ARG  17  -8.006   9.330   4.543
  117    HE   ARG  17           HE       ARG  17  -8.536  11.754   3.878
  118   HH11  ARG  17          HH11      ARG  17  -8.848  10.531   7.180
  119   HH12  ARG  17          HH12      ARG  17  -8.633  12.118   7.897
  120   HH21  ARG  17          HH21      ARG  17  -8.243  13.765   4.826
  121   HH22  ARG  17          HH22      ARG  17  -8.276  13.928   6.578
  122    H    VAL  18           H        VAL  18  -9.289   7.309   1.129
  123    HA   VAL  18           HA       VAL  18 -11.727   5.604   1.478
  124    HB   VAL  18           HB       VAL  18  -9.356   5.156  -0.367
  125   HG11  VAL  18          HG11      VAL  18 -10.772   3.360  -1.304
  126   HG12  VAL  18          HG12      VAL  18 -10.380   3.075   0.397
  127   HG13  VAL  18          HG13      VAL  18 -11.995   3.680  -0.051
  128   HG21  VAL  18          HG21      VAL  18 -10.690   7.004  -1.249
  129   HG22  VAL  18          HG22      VAL  18 -10.960   5.545  -2.209
  130   HG23  VAL  18          HG23      VAL  18 -12.189   6.060  -1.025
  131    H    PHE  19           H        PHE  19 -11.550   4.014   2.972
  132    HA   PHE  19           HA       PHE  19  -8.883   3.397   4.124
  133    HB2  PHE  19           HB2      PHE  19 -10.656   3.876   5.717
  134    HB3  PHE  19           HB3      PHE  19 -11.735   2.737   4.922
  135    HD1  PHE  19           HD1      PHE  19  -8.129   2.362   6.009
  136    HD2  PHE  19           HD2      PHE  19 -12.204   1.028   6.387
  137    HE1  PHE  19           HE1      PHE  19  -7.400   0.543   7.510
  138    HE2  PHE  19           HE2      PHE  19 -11.471  -0.783   7.896
  139    HZ   PHE  19           HZ       PHE  19  -9.065  -1.050   8.447
  140    H    ILE  20           H        ILE  20  -7.928   1.389   3.824
  141    HA   ILE  20           HA       ILE  20  -9.415  -0.620   2.205
  142    HB   ILE  20           HB       ILE  20  -6.523   0.253   1.794
  143   HG12  ILE  20          HG12      ILE  20  -8.880   0.740  -0.071
  144   HG13  ILE  20          HG13      ILE  20  -8.248   1.956   1.044
  145   HG21  ILE  20          HG21      ILE  20  -8.311  -1.649   0.209
  146   HG22  ILE  20          HG22      ILE  20  -6.623  -1.239  -0.175
  147   HG23  ILE  20          HG23      ILE  20  -7.006  -2.140   1.305
  148   HD11  ILE  20          HD11      ILE  20  -6.653   0.620  -1.179
  149   HD12  ILE  20          HD12      ILE  20  -7.284   2.277  -1.183
  150   HD13  ILE  20          HD13      ILE  20  -6.021   1.820  -0.025
  151    H    GLY  21           H        GLY  21  -9.733  -1.980   3.927
  152    HA2  GLY  21           HA2      GLY  21  -7.432  -2.689   5.677
  153    HA3  GLY  21           HA3      GLY  21  -9.127  -3.044   5.976
  154    H    ASN  22           H        ASN  22  -7.253  -4.973   6.359
  155    HA   ASN  22           HA       ASN  22  -6.758  -7.095   5.960
  156    HB2  ASN  22           HB2      ASN  22  -9.308  -7.091   5.951
  157    HB3  ASN  22           HB3      ASN  22  -9.212  -7.239   4.193
  158   HD21  ASN  22          HD21      ASN  22  -8.687  -9.254   3.285
  159   HD22  ASN  22          HD22      ASN  22  -8.457 -10.694   4.250
  160    H    LEU  23           H        LEU  23  -5.758  -5.015   4.026
  161    HA   LEU  23           HA       LEU  23  -5.638  -6.242   1.423
  162    HB2  LEU  23           HB2      LEU  23  -5.501  -3.822   1.770
  163    HB3  LEU  23           HB3      LEU  23  -4.044  -4.018   2.750
  164    HG   LEU  23           HG       LEU  23  -2.799  -4.826   0.787
  165   HD11  LEU  23          HD11      LEU  23  -5.358  -4.246  -0.759
  166   HD12  LEU  23          HD12      LEU  23  -3.779  -4.682  -1.462
  167   HD13  LEU  23          HD13      LEU  23  -4.661  -5.868  -0.488
  168   HD21  LEU  23          HD21      LEU  23  -2.836  -2.677  -0.471
  169   HD22  LEU  23          HD22      LEU  23  -2.853  -2.425   1.291
  170   HD23  LEU  23          HD23      LEU  23  -4.353  -2.244   0.351
  171    H    ASN  24           H        ASN  24  -3.925  -7.318   0.413
  172    HA   ASN  24           HA       ASN  24  -2.012  -8.710   2.136
  173    HB2  ASN  24           HB2      ASN  24  -3.029  -9.896   0.276
  174    HB3  ASN  24           HB3      ASN  24  -2.485  -8.656  -0.864
  175   HD21  ASN  24          HD21      ASN  24  -0.298  -8.518  -1.448
  176   HD22  ASN  24          HD22      ASN  24   0.808  -9.863  -1.173
  177    H    THR  25           H        THR  25  -0.627  -7.204   3.012
  178    HA   THR  25           HA       THR  25   0.523  -5.136   1.290
  179    HB   THR  25           HB       THR  25   1.312  -4.165   3.409
  180    HG1  THR  25           HG1      THR  25   1.577  -6.108   4.589
  181   HG21  THR  25          HG21      THR  25  -1.009  -3.793   2.468
  182   HG22  THR  25          HG22      THR  25  -1.590  -5.111   3.519
  183   HG23  THR  25          HG23      THR  25  -0.947  -3.630   4.238
  184    H    LEU  26           H        LEU  26   1.263  -8.182   1.412
  185    HA   LEU  26           HA       LEU  26   4.142  -8.065   2.036
  186    HB2  LEU  26           HB2      LEU  26   2.186 -10.191   1.082
  187    HB3  LEU  26           HB3      LEU  26   3.913 -10.494   1.231
  188    HG   LEU  26           HG       LEU  26   2.521 -11.298   3.112
  189   HD11  LEU  26          HD11      LEU  26   4.587  -9.197   3.869
  190   HD12  LEU  26          HD12      LEU  26   4.078 -10.580   4.864
  191   HD13  LEU  26          HD13      LEU  26   4.949 -10.863   3.339
  192   HD21  LEU  26          HD21      LEU  26   1.796  -9.735   4.860
  193   HD22  LEU  26          HD22      LEU  26   0.930  -9.421   3.336
  194   HD23  LEU  26          HD23      LEU  26   2.267  -8.356   3.879
  195    H    VAL  27           H        VAL  27   1.949  -8.045  -0.714
  196    HA   VAL  27           HA       VAL  27   4.300  -8.126  -2.562
  197    HB   VAL  27           HB       VAL  27   1.497  -9.158  -3.115
  198   HG11  VAL  27          HG11      VAL  27   2.691  -8.480  -5.156
  199   HG12  VAL  27          HG12      VAL  27   4.118  -9.415  -4.654
  200   HG13  VAL  27          HG13      VAL  27   2.600 -10.249  -5.063
  201   HG21  VAL  27          HG21      VAL  27   2.617 -10.579  -1.428
  202   HG22  VAL  27          HG22      VAL  27   2.542 -11.414  -2.990
  203   HG23  VAL  27          HG23      VAL  27   4.062 -10.669  -2.453
  204    H    VAL  28           H        VAL  28   1.440  -6.402  -1.514
  205    HA   VAL  28           HA       VAL  28   1.392  -4.703  -3.888
  206    HB   VAL  28           HB       VAL  28  -0.507  -5.358  -2.105
  207   HG11  VAL  28          HG11      VAL  28   0.350  -2.597  -1.182
  208   HG12  VAL  28          HG12      VAL  28  -0.928  -3.635  -0.507
  209   HG13  VAL  28          HG13      VAL  28   0.780  -4.081  -0.295
  210   HG21  VAL  28          HG21      VAL  28  -0.846  -4.162  -4.239
  211   HG22  VAL  28          HG22      VAL  28  -1.817  -3.478  -2.922
  212   HG23  VAL  28          HG23      VAL  28  -0.343  -2.639  -3.461
  213    H    LYS  29           H        LYS  29   1.849  -2.384  -3.772
  214    HA   LYS  29           HA       LYS  29   3.660  -1.535  -1.596
  215    HB2  LYS  29           HB2      LYS  29   5.029  -0.424  -3.561
  216    HB3  LYS  29           HB3      LYS  29   5.398  -2.050  -3.007
  217    HG2  LYS  29           HG2      LYS  29   3.369  -1.805  -5.202
  218    HG3  LYS  29           HG3      LYS  29   5.057  -1.443  -5.610
  219    HD2  LYS  29           HD2      LYS  29   5.832  -3.584  -4.954
  220    HD3  LYS  29           HD3      LYS  29   4.348  -3.960  -4.073
  221    HE2  LYS  29           HE2      LYS  29   4.461  -5.191  -6.193
  222    HE3  LYS  29           HE3      LYS  29   3.069  -4.094  -6.128
  223    HZ1  LYS  29           HZ1      LYS  29   5.609  -3.474  -7.480
  224    HZ2  LYS  29           HZ2      LYS  29   4.254  -4.018  -8.239
  225    HZ3  LYS  29           HZ3      LYS  29   4.228  -2.566  -7.491
  226    H    LYS  30           H        LYS  30   4.169   0.918  -1.956
  227    HA   LYS  30           HA       LYS  30   1.694   2.306  -1.890
  228    HB2  LYS  30           HB2      LYS  30   3.729   3.179  -0.838
  229    HB3  LYS  30           HB3      LYS  30   4.510   3.346  -2.427
  230    HG2  LYS  30           HG2      LYS  30   2.862   4.970  -3.150
  231    HG3  LYS  30           HG3      LYS  30   1.876   4.695  -1.703
  232    HD2  LYS  30           HD2      LYS  30   3.622   5.633  -0.283
  233    HD3  LYS  30           HD3      LYS  30   4.699   5.846  -1.680
  234    HE2  LYS  30           HE2      LYS  30   1.919   7.081  -1.475
  235    HE3  LYS  30           HE3      LYS  30   3.395   7.925  -0.966
  236    HZ1  LYS  30           HZ1      LYS  30   4.218   7.669  -3.225
  237    HZ2  LYS  30           HZ2      LYS  30   2.817   6.943  -3.683
  238    HZ3  LYS  30           HZ3      LYS  30   2.805   8.509  -3.201
  239    H    SER  31           H        SER  31   3.951   1.641  -4.545
  240    HA   SER  31           HA       SER  31   2.754   3.520  -6.381
  241    HB2  SER  31           HB2      SER  31   4.599   1.156  -6.875
  242    HB3  SER  31           HB3      SER  31   4.248   2.473  -8.018
  243    HG   SER  31           HG       SER  31   6.184   2.817  -6.841
  244    H    ASP  32           H        ASP  32   1.733   0.500  -5.183
  245    HA   ASP  32           HA       ASP  32   0.246  -0.170  -7.650
  246    HB2  ASP  32           HB2      ASP  32   1.046  -1.585  -5.127
  247    HB3  ASP  32           HB3      ASP  32  -0.449  -2.084  -5.895
  248    H    VAL  33           H        VAL  33  -0.271   0.889  -4.223
  249    HA   VAL  33           HA       VAL  33  -3.127   0.695  -4.442
  250    HB   VAL  33           HB       VAL  33  -1.430   2.436  -2.607
  251   HG11  VAL  33          HG11      VAL  33  -4.329   1.507  -2.398
  252   HG12  VAL  33          HG12      VAL  33  -3.439   2.438  -1.169
  253   HG13  VAL  33          HG13      VAL  33  -3.784   3.167  -2.747
  254   HG21  VAL  33          HG21      VAL  33  -0.916   0.025  -2.368
  255   HG22  VAL  33          HG22      VAL  33  -1.818   0.618  -0.963
  256   HG23  VAL  33          HG23      VAL  33  -2.651  -0.336  -2.216
  257    H    GLU  34           H        GLU  34  -0.773   3.342  -5.098
  258    HA   GLU  34           HA       GLU  34  -2.890   5.168  -5.844
  259    HB2  GLU  34           HB2      GLU  34  -1.128   6.684  -6.464
  260    HB3  GLU  34           HB3      GLU  34  -0.717   5.908  -4.920
  261    HG2  GLU  34           HG2      GLU  34   0.779   4.338  -6.105
  262    HG3  GLU  34           HG3      GLU  34   0.369   5.091  -7.649
  263    H    ALA  35           H        ALA  35  -2.055   2.387  -7.319
  264    HA   ALA  35           HA       ALA  35  -2.527   3.521 -10.041
  265    HB1  ALA  35           HB1      ALA  35  -0.293   2.503  -9.771
  266    HB2  ALA  35           HB2      ALA  35  -1.053   0.984  -9.236
  267    HB3  ALA  35           HB3      ALA  35  -1.308   1.564 -10.895
  268    H    ILE  36           H        ILE  36  -3.798   1.580  -7.513
  269    HA   ILE  36           HA       ILE  36  -5.602   0.084  -9.346
  270    HB   ILE  36           HB       ILE  36  -4.915  -0.175  -6.403
  271   HG12  ILE  36          HG12      ILE  36  -4.510  -2.185  -8.649
  272   HG13  ILE  36          HG13      ILE  36  -3.300  -0.948  -8.296
  273   HG21  ILE  36          HG21      ILE  36  -6.848  -1.798  -8.105
  274   HG22  ILE  36          HG22      ILE  36  -6.292  -2.259  -6.478
  275   HG23  ILE  36          HG23      ILE  36  -7.269  -0.798  -6.691
  276   HD11  ILE  36          HD11      ILE  36  -2.679  -2.942  -7.099
  277   HD12  ILE  36          HD12      ILE  36  -3.227  -1.735  -5.919
  278   HD13  ILE  36          HD13      ILE  36  -4.296  -3.087  -6.376
  279    H    PHE  37           H        PHE  37  -5.474   2.841  -7.211
  280    HA   PHE  37           HA       PHE  37  -8.456   2.978  -7.241
  281    HB2  PHE  37           HB2      PHE  37  -6.402   4.073  -5.305
  282    HB3  PHE  37           HB3      PHE  37  -8.098   4.569  -5.313
  283    HD1  PHE  37           HD2      PHE  37  -5.992   1.440  -5.175
  284    HD2  PHE  37           HD1      PHE  37  -9.644   3.421  -4.037
  285    HE1  PHE  37           HE2      PHE  37  -6.626  -0.519  -3.816
  286    HE2  PHE  37           HE1      PHE  37 -10.287   1.450  -2.678
  287    HZ   PHE  37           HZ       PHE  37  -8.754  -0.521  -2.543
  288    H    SER  38           H        SER  38  -5.682   4.295  -8.726
  289    HA   SER  38           HA       SER  38  -6.728   6.990  -9.045
  290    HB2  SER  38           HB2      SER  38  -4.323   6.448  -9.097
  291    HB3  SER  38           HB3      SER  38  -4.573   5.514 -10.592
  292    HG   SER  38           HG       SER  38  -3.890   7.674 -10.984
  293    H    LYS  39           H        LYS  39  -7.629   3.988 -10.301
  294    HA   LYS  39           HA       LYS  39  -8.517   5.004 -12.910
  295    HB2  LYS  39           HB2      LYS  39  -9.189   2.690 -13.315
  296    HB3  LYS  39           HB3      LYS  39  -7.501   2.802 -12.776
  297    HG2  LYS  39           HG2      LYS  39  -8.265   2.276 -10.441
  298    HG3  LYS  39           HG3      LYS  39  -9.910   2.035 -11.069
  299    HD2  LYS  39           HD2      LYS  39  -7.451   0.515 -12.011
  300    HD3  LYS  39           HD3      LYS  39  -8.599  -0.086 -10.790
  301    HE2  LYS  39           HE2      LYS  39 -10.436   0.081 -12.432
  302    HE3  LYS  39           HE3      LYS  39  -9.287   0.639 -13.665
  303    HZ1  LYS  39           HZ1      LYS  39  -9.700  -1.700 -13.849
  304    HZ2  LYS  39           HZ2      LYS  39  -8.130  -1.451 -13.432
  305    HZ3  LYS  39           HZ3      LYS  39  -9.215  -1.968 -12.301
  306    H    TYR  40           H        TYR  40  -9.651   5.388  -9.862
  307    HA   TYR  40           HA       TYR  40 -12.496   5.386 -10.764
  308    HB2  TYR  40           HB2      TYR  40 -11.247   4.477  -8.171
  309    HB3  TYR  40           HB3      TYR  40 -12.899   5.091  -8.201
  310    HD1  TYR  40           HD1      TYR  40 -14.656   3.978  -9.550
  311    HD2  TYR  40           HD2      TYR  40 -10.753   2.267  -8.990
  312    HE1  TYR  40           HE1      TYR  40 -15.536   1.767 -10.246
  313    HE2  TYR  40           HE2      TYR  40 -11.620   0.056  -9.730
  314    HH   TYR  40           HH       TYR  40 -15.044  -0.419 -10.688
  315    H    GLY  41           H        GLY  41  -9.882   7.338  -9.923
  316    HA2  GLY  41           HA2      GLY  41 -11.374   9.715  -9.890
  317    HA3  GLY  41           HA3      GLY  41 -11.161   9.231  -8.203
  318    H    LYS  42           H        LYS  42 -10.095  11.604  -8.999
  319    HA   LYS  42           HA       LYS  42  -7.275  11.271  -9.698
  320    HB2  LYS  42           HB2      LYS  42  -8.376  13.276 -10.464
  321    HB3  LYS  42           HB3      LYS  42  -8.989  13.634  -8.838
  322    HG2  LYS  42           HG2      LYS  42  -7.088  15.081  -9.379
  323    HG3  LYS  42           HG3      LYS  42  -6.729  14.031  -8.010
  324    HD2  LYS  42           HD2      LYS  42  -5.527  12.463  -9.606
  325    HD3  LYS  42           HD3      LYS  42  -5.762  13.692 -10.878
  326    HE2  LYS  42           HE2      LYS  42  -4.578  15.342  -9.428
  327    HE3  LYS  42           HE3      LYS  42  -4.351  14.088  -8.201
  328    HZ1  LYS  42           HZ1      LYS  42  -3.054  12.844  -9.773
  329    HZ2  LYS  42           HZ2      LYS  42  -3.273  13.983 -10.939
  330    HZ3  LYS  42           HZ3      LYS  42  -2.413  14.348  -9.587
  331    H    ILE  43           H        ILE  43  -5.921  10.388  -8.231
  332    HA   ILE  43           HA       ILE  43  -6.378  10.792  -5.363
  333    HB   ILE  43           HB       ILE  43  -4.208   9.337  -6.927
  334   HG12  ILE  43          HG12      ILE  43  -6.647   8.402  -5.353
  335   HG13  ILE  43          HG13      ILE  43  -6.443   8.329  -7.112
  336   HG21  ILE  43          HG21      ILE  43  -4.785   9.368  -3.933
  337   HG22  ILE  43          HG22      ILE  43  -3.530   8.409  -4.756
  338   HG23  ILE  43          HG23      ILE  43  -3.405  10.172  -4.712
  339   HD11  ILE  43          HD11      ILE  43  -4.549   6.750  -6.821
  340   HD12  ILE  43          HD12      ILE  43  -4.813   6.773  -5.057
  341   HD13  ILE  43          HD13      ILE  43  -6.067   6.133  -6.118
  342    H    VAL  44           H        VAL  44  -5.510  12.363  -4.188
  343    HA   VAL  44           HA       VAL  44  -3.226  13.906  -5.327
  344    HB   VAL  44           HB       VAL  44  -4.112  15.813  -3.937
  345   HG11  VAL  44          HG11      VAL  44  -5.928  14.768  -6.147
  346   HG12  VAL  44          HG12      VAL  44  -5.751  16.464  -5.631
  347   HG13  VAL  44          HG13      VAL  44  -4.389  15.629  -6.402
  348   HG21  VAL  44          HG21      VAL  44  -6.482  15.787  -3.323
  349   HG22  VAL  44          HG22      VAL  44  -6.648  14.118  -3.903
  350   HG23  VAL  44          HG23      VAL  44  -5.630  14.478  -2.478
  351    H    GLY  45           H        GLY  45  -3.996  11.617  -3.111
  352    HA2  GLY  45           HA2      GLY  45  -1.477  11.968  -1.737
  353    HA3  GLY  45           HA3      GLY  45  -2.870  12.239  -0.671
  354    H    CYS  46           H        CYS  46  -0.816   9.947  -0.804
  355    HA   CYS  46           HA       CYS  46  -2.792   7.824  -0.487
  356    HB2  CYS  46           HB2      CYS  46  -1.671   6.321  -2.140
  357    HB3  CYS  46           HB3      CYS  46  -2.479   7.708  -2.889
  358    HG   CYS  46           HG       CYS  46  -0.317   9.238  -2.925
  359    H    SER  47           H        SER  47  -1.971   5.943   0.521
  360    HA   SER  47           HA       SER  47   0.851   5.771   1.212
  361    HB2  SER  47           HB2      SER  47   0.542   5.896   3.614
  362    HB3  SER  47           HB3      SER  47  -0.055   7.404   2.879
  363    HG   SER  47           HG       SER  47  -2.163   6.551   3.022
  364    H    VAL  48           H        VAL  48   1.306   3.799   2.482
  365    HA   VAL  48           HA       VAL  48  -0.861   1.812   2.571
  366    HB   VAL  48           HB       VAL  48   0.035   1.537   0.336
  367   HG11  VAL  48          HG11      VAL  48   2.245   2.535   0.636
  368   HG12  VAL  48          HG12      VAL  48   2.748   1.178   1.673
  369   HG13  VAL  48          HG13      VAL  48   2.381   0.902  -0.047
  370   HG21  VAL  48          HG21      VAL  48   0.679  -0.797   0.400
  371   HG22  VAL  48          HG22      VAL  48   1.095  -0.682   2.129
  372   HG23  VAL  48          HG23      VAL  48  -0.598  -0.503   1.594
  373    H    HIS  49           H        HIS  49  -0.474   0.153   4.076
  374    HA   HIS  49           HA       HIS  49   1.853   0.545   5.884
  375    HB2  HIS  49           HB2      HIS  49  -1.062   0.421   6.738
  376    HB3  HIS  49           HB3      HIS  49   0.342   0.649   7.784
  377    HD2  HIS  49           HD3      HIS  49  -1.774   2.529   5.129
  378    HE1  HIS  49           HE1      HIS  49   0.457   5.465   7.236
  379    HE2  HIS  49           HE2      HIS  49  -1.344   5.083   5.474
  380    H    LYS  50           H        LYS  50   1.080  -1.266   7.867
  381    HA   LYS  50           HA       LYS  50   1.135  -3.833   6.427
  382    HB2  LYS  50           HB2      LYS  50   1.252  -3.097   9.372
  383    HB3  LYS  50           HB3      LYS  50   1.205  -4.764   8.766
  384    HG2  LYS  50           HG2      LYS  50   3.216  -4.280   7.369
  385    HG3  LYS  50           HG3      LYS  50   3.332  -2.683   8.137
  386    HD2  LYS  50           HD2      LYS  50   3.617  -3.720  10.341
  387    HD3  LYS  50           HD3      LYS  50   3.312  -5.330   9.663
  388    HE2  LYS  50           HE2      LYS  50   5.693  -5.065   9.971
  389    HE3  LYS  50           HE3      LYS  50   5.332  -5.109   8.241
  390    HZ1  LYS  50           HZ1      LYS  50   5.800  -2.664   9.823
  391    HZ2  LYS  50           HZ2      LYS  50   6.886  -3.356   8.811
  392    HZ3  LYS  50           HZ3      LYS  50   5.497  -2.711   8.209
  393    H    GLY  51           H        GLY  51  -0.606  -4.977   5.921
  394    HA2  GLY  51           HA2      GLY  51  -2.671  -5.949   6.023
  395    HA3  GLY  51           HA3      GLY  51  -2.848  -5.301   7.658
  396    H    PHE  52           H        PHE  52  -2.309  -2.484   6.112
  397    HA   PHE  52           HA       PHE  52  -4.899  -2.273   4.748
  398    HB2  PHE  52           HB2      PHE  52  -5.664  -0.392   6.100
  399    HB3  PHE  52           HB3      PHE  52  -5.531  -1.842   7.077
  400    HD1  PHE  52           HD2      PHE  52  -3.780  -2.035   8.816
  401    HD2  PHE  52           HD1      PHE  52  -4.234   1.528   6.446
  402    HE1  PHE  52           HE2      PHE  52  -2.337  -0.795  10.400
  403    HE2  PHE  52           HE1      PHE  52  -2.808   2.770   8.036
  404    HZ   PHE  52           HZ       PHE  52  -1.837   1.600  10.011
  405    H    ALA  53           H        ALA  53  -5.227   0.010   3.919
  406    HA   ALA  53           HA       ALA  53  -2.795   1.626   3.588
  407    HB1  ALA  53           HB1      ALA  53  -3.019   1.638   1.125
  408    HB2  ALA  53           HB2      ALA  53  -2.679   0.007   1.738
  409    HB3  ALA  53           HB3      ALA  53  -4.331   0.440   1.237
  410    H    PHE  54           H        PHE  54  -3.380   3.720   2.410
  411    HA   PHE  54           HA       PHE  54  -6.246   4.442   2.670
  412    HB2  PHE  54           HB2      PHE  54  -3.915   5.587   4.197
  413    HB3  PHE  54           HB3      PHE  54  -5.185   6.667   3.641
  414    HD1  PHE  54           HD2      PHE  54  -7.593   6.182   4.231
  415    HD2  PHE  54           HD1      PHE  54  -4.261   4.333   6.230
  416    HE1  PHE  54           HE2      PHE  54  -9.060   5.609   6.143
  417    HE2  PHE  54           HE1      PHE  54  -5.734   3.733   8.125
  418    HZ   PHE  54           HZ       PHE  54  -8.139   4.372   8.079
  419    H    VAL  55           H        VAL  55  -6.933   6.016   1.283
  420    HA   VAL  55           HA       VAL  55  -4.945   7.190  -0.588
  421    HB   VAL  55           HB       VAL  55  -7.488   5.688  -1.342
  422   HG11  VAL  55          HG11      VAL  55  -5.547   7.303  -3.045
  423   HG12  VAL  55          HG12      VAL  55  -6.837   6.243  -3.678
  424   HG13  VAL  55          HG13      VAL  55  -7.261   7.685  -2.747
  425   HG21  VAL  55          HG21      VAL  55  -5.560   4.214  -0.915
  426   HG22  VAL  55          HG22      VAL  55  -5.909   4.278  -2.650
  427   HG23  VAL  55          HG23      VAL  55  -4.546   5.213  -1.982
  428    H    GLN  56           H        GLN  56  -5.424   9.251  -1.215
  429    HA   GLN  56           HA       GLN  56  -7.851  10.472   0.009
  430    HB2  GLN  56           HB2      GLN  56  -5.795  11.082   1.162
  431    HB3  GLN  56           HB3      GLN  56  -5.028  11.547  -0.365
  432    HG2  GLN  56           HG2      GLN  56  -5.708  13.531   0.829
  433    HG3  GLN  56           HG3      GLN  56  -6.699  13.369  -0.624
  434   HE21  GLN  56          HE21      GLN  56  -8.902  13.149  -0.433
  435   HE22  GLN  56          HE22      GLN  56  -9.757  13.149   1.093
  436    H    TYR  57           H        TYR  57  -9.278  10.983  -1.505
  437    HA   TYR  57           HA       TYR  57  -8.387  11.688  -4.230
  438    HB2  TYR  57           HB2      TYR  57 -11.120  11.168  -3.012
  439    HB3  TYR  57           HB3      TYR  57 -10.866  11.723  -4.660
  440    HD1  TYR  57           HD1      TYR  57  -8.769  10.208  -5.799
  441    HD2  TYR  57           HD2      TYR  57 -11.721   8.955  -2.948
  442    HE1  TYR  57           HE1      TYR  57  -8.641   7.899  -6.704
  443    HE2  TYR  57           HE2      TYR  57 -11.612   6.629  -3.867
  444    HH   TYR  57           HH       TYR  57  -9.459   5.778  -6.574
  445    H    VAL  58           H        VAL  58 -10.058  13.467  -5.168
  446    HA   VAL  58           HA       VAL  58  -9.312  15.906  -3.758
  447    HB   VAL  58           HB       VAL  58 -10.829  15.415  -6.347
  448   HG11  VAL  58          HG11      VAL  58 -11.410  17.632  -5.459
  449   HG12  VAL  58          HG12      VAL  58  -9.689  17.985  -5.159
  450   HG13  VAL  58          HG13      VAL  58 -10.282  17.808  -6.820
  451   HG21  VAL  58          HG21      VAL  58  -8.465  14.670  -6.382
  452   HG22  VAL  58          HG22      VAL  58  -8.699  16.111  -7.394
  453   HG23  VAL  58          HG23      VAL  58  -7.961  16.272  -5.791
  454    H    ASN  59           H        ASN  59 -12.172  13.875  -4.083
  455    HA   ASN  59           HA       ASN  59 -13.686  15.623  -2.269
  456    HB2  ASN  59           HB2      ASN  59 -15.604  15.763  -3.852
  457    HB3  ASN  59           HB3      ASN  59 -14.164  16.601  -4.457
  458   HD21  ASN  59          HD21      ASN  59 -13.816  16.267  -6.577
  459   HD22  ASN  59          HD22      ASN  59 -14.227  14.793  -7.451
  460    H    GLU  60           H        GLU  60 -16.022  14.621  -2.075
  461    HA   GLU  60           HA       GLU  60 -15.653  11.949  -1.046
  462    HB2  GLU  60           HB2      GLU  60 -17.112  13.405   0.139
  463    HB3  GLU  60           HB3      GLU  60 -17.967  13.896  -1.331
  464    HG2  GLU  60           HG2      GLU  60 -19.032  11.742  -1.550
  465    HG3  GLU  60           HG3      GLU  60 -18.034  11.053  -0.269
  466    H    ARG  61           H        ARG  61 -17.118  13.304  -3.979
  467    HA   ARG  61           HA       ARG  61 -18.632  11.068  -4.823
  468    HB2  ARG  61           HB2      ARG  61 -19.102  12.930  -6.026
  469    HB3  ARG  61           HB3      ARG  61 -17.471  13.567  -5.906
  470    HG2  ARG  61           HG2      ARG  61 -17.885  13.176  -8.209
  471    HG3  ARG  61           HG3      ARG  61 -16.697  11.995  -7.665
  472    HD2  ARG  61           HD2      ARG  61 -18.531  10.299  -7.442
  473    HD3  ARG  61           HD3      ARG  61 -19.691  11.515  -8.007
  474    HE   ARG  61           HE       ARG  61 -17.721  11.401  -9.981
  475   HH11  ARG  61          HH11      ARG  61 -20.002   9.141  -8.507
  476   HH12  ARG  61          HH12      ARG  61 -20.134   8.155  -9.948
  477   HH21  ARG  61          HH21      ARG  61 -17.896  10.091 -11.836
  478   HH22  ARG  61          HH22      ARG  61 -18.946   8.696 -11.828
  479    H    ASN  62           H        ASN  62 -15.177  11.843  -5.271
  480    HA   ASN  62           HA       ASN  62 -14.610   9.603  -6.988
  481    HB2  ASN  62           HB2      ASN  62 -12.996  11.512  -5.284
  482    HB3  ASN  62           HB3      ASN  62 -12.219  10.125  -6.079
  483   HD21  ASN  62          HD21      ASN  62 -14.769  12.481  -7.147
  484   HD22  ASN  62          HD22      ASN  62 -13.951  12.866  -8.653
  485    H    ALA  63           H        ALA  63 -14.676  10.063  -3.430
  486    HA   ALA  63           HA       ALA  63 -13.369   7.564  -2.838
  487    HB1  ALA  63           HB1      ALA  63 -13.522   9.429  -1.224
  488    HB2  ALA  63           HB2      ALA  63 -15.286   9.206  -1.135
  489    HB3  ALA  63           HB3      ALA  63 -14.207   7.917  -0.571
  490    H    ARG  64           H        ARG  64 -16.830   8.494  -3.228
  491    HA   ARG  64           HA       ARG  64 -17.879   5.923  -2.498
  492    HB2  ARG  64           HB2      ARG  64 -19.003   7.997  -4.425
  493    HB3  ARG  64           HB3      ARG  64 -19.918   6.695  -3.661
  494    HG2  ARG  64           HG2      ARG  64 -18.581   9.008  -2.196
  495    HG3  ARG  64           HG3      ARG  64 -20.307   8.872  -2.574
  496    HD2  ARG  64           HD2      ARG  64 -20.495   6.880  -1.168
  497    HD3  ARG  64           HD3      ARG  64 -18.751   6.936  -0.821
  498    HE   ARG  64           HE       ARG  64 -19.781   9.458  -0.141
  499   HH11  ARG  64          HH11      ARG  64 -20.261   6.118   0.924
  500   HH12  ARG  64          HH12      ARG  64 -20.596   6.594   2.579
  501   HH21  ARG  64          HH21      ARG  64 -20.266  10.025   1.982
  502   HH22  ARG  64          HH22      ARG  64 -20.645   8.791   3.164
  503    H    ALA  65           H        ALA  65 -16.355   7.152  -5.435
  504    HA   ALA  65           HA       ALA  65 -17.431   5.174  -7.212
  505    HB1  ALA  65           HB1      ALA  65 -14.813   6.712  -7.371
  506    HB2  ALA  65           HB2      ALA  65 -15.657   5.917  -8.712
  507    HB3  ALA  65           HB3      ALA  65 -16.395   7.331  -7.918
  508    H    ALA  66           H        ALA  66 -14.436   5.311  -5.188
  509    HA   ALA  66           HA       ALA  66 -13.677   2.643  -6.191
  510    HB1  ALA  66           HB1      ALA  66 -12.327   4.492  -4.194
  511    HB2  ALA  66           HB2      ALA  66 -11.637   3.017  -4.910
  512    HB3  ALA  66           HB3      ALA  66 -12.009   4.418  -5.945
  513    H    VAL  67           H        VAL  67 -15.101   4.097  -3.289
  514    HA   VAL  67           HA       VAL  67 -14.728   1.782  -1.615
  515    HB   VAL  67           HB       VAL  67 -16.471   4.256  -1.460
  516   HG11  VAL  67          HG11      VAL  67 -16.398   1.904   0.462
  517   HG12  VAL  67          HG12      VAL  67 -17.081   3.508   0.834
  518   HG13  VAL  67          HG13      VAL  67 -17.810   2.509  -0.438
  519   HG21  VAL  67          HG21      VAL  67 -15.013   4.719   0.447
  520   HG22  VAL  67          HG22      VAL  67 -14.204   3.152   0.247
  521   HG23  VAL  67          HG23      VAL  67 -14.027   4.407  -1.002
  522    H    ALA  68           H        ALA  68 -17.014   2.602  -4.143
  523    HA   ALA  68           HA       ALA  68 -18.519   0.109  -3.493
  524    HB1  ALA  68           HB1      ALA  68 -19.302   2.443  -5.273
  525    HB2  ALA  68           HB2      ALA  68 -20.308   1.033  -4.868
  526    HB3  ALA  68           HB3      ALA  68 -19.857   2.184  -3.599
  527    H    GLY  69           H        GLY  69 -16.091   1.340  -5.559
  528    HA2  GLY  69           HA2      GLY  69 -16.836  -0.375  -7.842
  529    HA3  GLY  69           HA3      GLY  69 -15.500   0.785  -7.745
  530    H    GLU  70           H        GLU  70 -14.242  -0.153  -5.351
  531    HA   GLU  70           HA       GLU  70 -13.040  -2.670  -6.432
  532    HB2  GLU  70           HB2      GLU  70 -11.920  -0.437  -4.710
  533    HB3  GLU  70           HB3      GLU  70 -11.043  -1.919  -5.119
  534    HG2  GLU  70           HG2      GLU  70 -12.147   0.017  -7.195
  535    HG3  GLU  70           HG3      GLU  70 -10.494   0.064  -6.569
  536    H    ASP  71           H        ASP  71 -14.957  -1.527  -3.761
  537    HA   ASP  71           HA       ASP  71 -13.781  -3.051  -1.681
  538    HB2  ASP  71           HB2      ASP  71 -15.417  -1.353  -1.212
  539    HB3  ASP  71           HB3      ASP  71 -16.641  -2.184  -2.178
  540    H    GLY  72           H        GLY  72 -13.694  -5.157  -1.212
  541    HA2  GLY  72           HA2      GLY  72 -14.380  -7.354  -1.076
  542    HA3  GLY  72           HA3      GLY  72 -15.736  -7.015  -2.170
  543    H    ARG  73           H        ARG  73 -12.672  -5.888  -3.360
  544    HA   ARG  73           HA       ARG  73 -12.761  -8.044  -5.369
  545    HB2  ARG  73           HB2      ARG  73 -11.539  -6.719  -6.781
  546    HB3  ARG  73           HB3      ARG  73 -12.587  -5.563  -5.943
  547    HG2  ARG  73           HG2      ARG  73 -10.775  -4.710  -4.647
  548    HG3  ARG  73           HG3      ARG  73  -9.745  -6.113  -4.979
  549    HD2  ARG  73           HD2      ARG  73 -10.699  -4.248  -7.168
  550    HD3  ARG  73           HD3      ARG  73  -9.191  -3.991  -6.259
  551    HE   ARG  73           HE       ARG  73  -9.255  -6.671  -7.228
  552   HH11  ARG  73          HH11      ARG  73  -8.876  -3.361  -8.429
  553   HH12  ARG  73          HH12      ARG  73  -7.864  -3.848  -9.769
  554   HH21  ARG  73          HH21      ARG  73  -7.940  -7.264  -8.967
  555   HH22  ARG  73          HH22      ARG  73  -7.340  -6.049 -10.074
  556    H    MET  74           H        MET  74 -10.742  -9.095  -6.101
  557    HA   MET  74           HA       MET  74  -9.007  -9.678  -3.770
  558    HB2  MET  74           HB2      MET  74 -10.011 -11.616  -4.722
  559    HB3  MET  74           HB3      MET  74  -9.509 -11.162  -6.363
  560    HG2  MET  74           HG2      MET  74  -7.239 -11.588  -5.935
  561    HG3  MET  74           HG3      MET  74  -7.447 -11.488  -4.182
  562    HE1  MET  74           HE1      MET  74  -8.839 -14.767  -3.037
  563    HE2  MET  74           HE2      MET  74  -8.142 -13.170  -2.654
  564    HE3  MET  74           HE3      MET  74  -9.759 -13.273  -3.373
  565    H    ILE  75           H        ILE  75  -6.900  -9.277  -3.708
  566    HA   ILE  75           HA       ILE  75  -5.432  -8.478  -6.146
  567    HB   ILE  75           HB       ILE  75  -5.386  -6.877  -3.551
  568   HG12  ILE  75          HG12      ILE  75  -6.493  -6.102  -6.296
  569   HG13  ILE  75          HG13      ILE  75  -7.482  -6.535  -4.890
  570   HG21  ILE  75          HG21      ILE  75  -4.012  -6.404  -6.227
  571   HG22  ILE  75          HG22      ILE  75  -3.923  -5.343  -4.801
  572   HG23  ILE  75          HG23      ILE  75  -3.217  -6.961  -4.733
  573   HD11  ILE  75          HD11      ILE  75  -5.651  -4.128  -5.095
  574   HD12  ILE  75          HD12      ILE  75  -7.431  -4.150  -5.062
  575   HD13  ILE  75          HD13      ILE  75  -6.511  -4.629  -3.622
  576    H    ALA  76           H        ALA  76  -3.411  -9.349  -6.152
  577    HA   ALA  76           HA       ALA  76  -1.773 -10.779  -5.615
  578    HB1  ALA  76           HB1      ALA  76  -1.894  -9.306  -2.976
  579    HB2  ALA  76           HB2      ALA  76  -0.507 -10.229  -3.608
  580    HB3  ALA  76           HB3      ALA  76  -1.057  -8.757  -4.450
  581    H    GLY  77           H        GLY  77  -4.662 -11.644  -4.705
  582    HA2  GLY  77           HA2      GLY  77  -5.012 -14.006  -4.450
  583    HA3  GLY  77           HA3      GLY  77  -3.602 -14.094  -3.391
  584    H    GLN  78           H        GLN  78  -5.203 -11.344  -2.379
  585    HA   GLN  78           HA       GLN  78  -7.144 -12.822  -0.672
  586    HB2  GLN  78           HB2      GLN  78  -5.046 -10.830   0.232
  587    HB3  GLN  78           HB3      GLN  78  -6.482 -11.217   1.184
  588    HG2  GLN  78           HG2      GLN  78  -5.512 -13.049   2.020
  589    HG3  GLN  78           HG3      GLN  78  -5.302 -13.709   0.395
  590   HE21  GLN  78          HE21      GLN  78  -3.415 -12.646  -0.876
  591   HE22  GLN  78          HE22      GLN  78  -1.921 -12.441   0.022
  592    H    VAL  79           H        VAL  79  -8.820 -11.478   0.218
  593    HA   VAL  79           HA       VAL  79  -9.531  -9.269  -1.631
  594    HB   VAL  79           HB       VAL  79 -11.165 -10.844   0.389
  595   HG11  VAL  79          HG11      VAL  79 -12.023  -8.653  -1.557
  596   HG12  VAL  79          HG12      VAL  79 -13.127  -9.707  -0.646
  597   HG13  VAL  79          HG13      VAL  79 -12.081  -8.573   0.220
  598   HG21  VAL  79          HG21      VAL  79 -10.555 -12.108  -1.646
  599   HG22  VAL  79          HG22      VAL  79 -12.285 -11.709  -1.656
  600   HG23  VAL  79          HG23      VAL  79 -11.156 -10.774  -2.660
  601    H    LEU  80           H        LEU  80 -10.153  -7.272  -0.927
  602    HA   LEU  80           HA       LEU  80  -9.230  -6.528   1.805
  603    HB2  LEU  80           HB2      LEU  80  -8.934  -4.206   0.527
  604    HB3  LEU  80           HB3      LEU  80  -7.639  -5.359   0.786
  605    HG   LEU  80           HG       LEU  80  -7.599  -4.412  -1.438
  606   HD11  LEU  80          HD11      LEU  80  -6.785  -6.755  -1.024
  607   HD12  LEU  80          HD12      LEU  80  -8.303  -7.345  -1.753
  608   HD13  LEU  80          HD13      LEU  80  -7.210  -6.359  -2.706
  609   HD21  LEU  80          HD21      LEU  80 -10.242  -5.829  -1.951
  610   HD22  LEU  80          HD22      LEU  80  -9.287  -4.851  -3.093
  611   HD23  LEU  80          HD23      LEU  80 -10.061  -4.089  -1.677
  612    H    ASP  81           H        ASP  81 -10.364  -5.073   2.952
  613    HA   ASP  81           HA       ASP  81 -13.192  -4.768   2.122
  614    HB2  ASP  81           HB2      ASP  81 -12.715  -5.960   4.239
  615    HB3  ASP  81           HB3      ASP  81 -11.773  -4.583   4.810
  616    H    ILE  82           H        ILE  82 -13.485  -2.881   1.033
  617    HA   ILE  82           HA       ILE  82 -11.900  -0.522   1.887
  618    HB   ILE  82           HB       ILE  82 -13.368  -1.152  -0.687
  619   HG12  ILE  82          HG12      ILE  82 -10.375  -0.902  -0.208
  620   HG13  ILE  82          HG13      ILE  82 -11.226  -2.459  -0.131
  621   HG21  ILE  82          HG21      ILE  82 -11.543   1.183  -0.014
  622   HG22  ILE  82          HG22      ILE  82 -12.348   0.879  -1.580
  623   HG23  ILE  82          HG23      ILE  82 -13.315   1.275  -0.159
  624   HD11  ILE  82          HD11      ILE  82 -12.031  -2.188  -2.415
  625   HD12  ILE  82          HD12      ILE  82 -11.193  -0.620  -2.553
  626   HD13  ILE  82          HD13      ILE  82 -10.260  -2.119  -2.362
  627    H    ASN  83           H        ASN  83 -12.895   1.384   2.490
  628    HA   ASN  83           HA       ASN  83 -15.816   1.607   2.412
  629    HB2  ASN  83           HB2      ASN  83 -15.165   0.073   4.376
  630    HB3  ASN  83           HB3      ASN  83 -14.411   1.498   5.104
  631   HD21  ASN  83          HD21      ASN  83 -15.808   3.236   5.888
  632   HD22  ASN  83          HD22      ASN  83 -17.517   2.951   6.093
  633    H    LEU  84           H        LEU  84 -16.551   3.701   3.305
  634    HA   LEU  84           HA       LEU  84 -14.807   5.887   2.740
  635    HB2  LEU  84           HB2      LEU  84 -17.554   5.454   3.376
  636    HB3  LEU  84           HB3      LEU  84 -16.929   6.528   4.631
  637    HG   LEU  84           HG       LEU  84 -17.911   7.756   2.746
  638   HD11  LEU  84          HD11      LEU  84 -16.086   9.312   2.363
  639   HD12  LEU  84          HD12      LEU  84 -16.069   8.751   4.049
  640   HD13  LEU  84          HD13      LEU  84 -14.890   8.108   2.875
  641   HD21  LEU  84          HD21      LEU  84 -16.920   7.788   0.546
  642   HD22  LEU  84          HD22      LEU  84 -17.319   6.101   0.947
  643   HD23  LEU  84          HD23      LEU  84 -15.635   6.673   1.038
  644    H    ALA  85           H        ALA  85 -13.651   7.286   4.248
  645    HA   ALA  85           HA       ALA  85 -12.578   5.666   6.394
  646    HB1  ALA  85           HB1      ALA  85 -11.119   6.979   4.962
  647    HB2  ALA  85           HB2      ALA  85 -11.920   8.488   5.490
  648    HB3  ALA  85           HB3      ALA  85 -10.972   7.525   6.649
  649    H    ALA  86           H        ALA  86 -15.303   7.587   6.347
  650    HA   ALA  86           HA       ALA  86 -15.062   8.015   9.277
  651    HB1  ALA  86           HB1      ALA  86 -16.342   9.888   7.253
  652    HB2  ALA  86           HB2      ALA  86 -16.326  10.108   9.022
  653    HB3  ALA  86           HB3      ALA  86 -14.802  10.154   8.108
  654    H    GLU  87           H        GLU  87 -16.374   5.977   7.252
  655    HA   GLU  87           HA       GLU  87 -19.002   6.017   8.641
  656    HB2  GLU  87           HB2      GLU  87 -18.640   5.490   5.676
  657    HB3  GLU  87           HB3      GLU  87 -20.159   5.421   6.591
  658    HG2  GLU  87           HG2      GLU  87 -19.836   7.839   7.206
  659    HG3  GLU  87           HG3      GLU  87 -18.441   7.886   6.117
  660    HA   PRO  88           HA       PRO  88 -17.113   1.716   8.490
  661    HB2  PRO  88           HB2      PRO  88 -16.311   1.382  11.079
  662    HB3  PRO  88           HB3      PRO  88 -15.260   2.130   9.838
  663    HG2  PRO  88           HG2      PRO  88 -17.031   3.536  11.864
  664    HG3  PRO  88           HG3      PRO  88 -15.303   3.856  11.497
  665    HD2  PRO  88           HD2      PRO  88 -17.301   5.330  10.389
  666    HD3  PRO  88           HD3      PRO  88 -15.831   4.906   9.462
  667    H    LYS  89           H        LYS  89 -18.509   0.049   8.949
  668    HA   LYS  89           HA       LYS  89 -20.773   0.609  10.818
  669    HB2  LYS  89           HB2      LYS  89 -20.850  -0.769   8.102
  670    HB3  LYS  89           HB3      LYS  89 -22.215  -0.635   9.209
  671    HG2  LYS  89           HG2      LYS  89 -20.759   1.700   7.892
  672    HG3  LYS  89           HG3      LYS  89 -22.327   1.041   7.401
  673    HD2  LYS  89           HD2      LYS  89 -21.722   2.363  10.075
  674    HD3  LYS  89           HD3      LYS  89 -22.602   3.088   8.722
  675    HE2  LYS  89           HE2      LYS  89 -24.316   1.287   8.885
  676    HE3  LYS  89           HE3      LYS  89 -23.445   0.605  10.271
  677    HZ1  LYS  89           HZ1      LYS  89 -24.623   3.304  10.158
  678    HZ2  LYS  89           HZ2      LYS  89 -25.250   2.023  10.965
  679    HZ3  LYS  89           HZ3      LYS  89 -23.817   2.671  11.440
  680    H    VAL  90           H        VAL  90 -18.078  -1.186  10.453
  681    HA   VAL  90           HA       VAL  90 -19.211  -3.487  11.942
  682    HB   VAL  90           HB       VAL  90 -19.050  -3.987   9.505
  683   HG11  VAL  90          HG11      VAL  90 -16.056  -3.611   9.914
  684   HG12  VAL  90          HG12      VAL  90 -16.837  -4.284   8.470
  685   HG13  VAL  90          HG13      VAL  90 -17.124  -2.593   8.917
  686   HG21  VAL  90          HG21      VAL  90 -18.826  -5.784  11.215
  687   HG22  VAL  90          HG22      VAL  90 -17.910  -6.130   9.736
  688   HG23  VAL  90          HG23      VAL  90 -17.058  -5.572  11.183
  689    H    ASN  91           H        ASN  91 -17.598  -4.663  13.141
  690    HA   ASN  91           HA       ASN  91 -15.791  -2.877  14.495
  691    HB2  ASN  91           HB2      ASN  91 -15.894  -5.895  14.767
  692    HB3  ASN  91           HB3      ASN  91 -15.475  -4.689  15.998
  693   HD21  ASN  91          HD21      ASN  91 -18.060  -6.229  14.170
  694   HD22  ASN  91          HD22      ASN  91 -19.388  -5.689  15.184
  695    H    ARG  92           H        ARG  92 -15.476  -4.175  11.586
  696    HA   ARG  92           HA       ARG  92 -13.941  -4.807  10.137
  697    HB2  ARG  92           HB2      ARG  92 -12.063  -3.470  12.121
  698    HB3  ARG  92           HB3      ARG  92 -11.563  -4.017  10.514
  699    HG2  ARG  92           HG2      ARG  92 -13.075  -2.543   9.405
  700    HG3  ARG  92           HG3      ARG  92 -13.931  -2.157  10.906
  701    HD2  ARG  92           HD2      ARG  92 -11.006  -1.444  10.436
  702    HD3  ARG  92           HD3      ARG  92 -12.340  -0.359  10.079
  703    HE   ARG  92           HE       ARG  92 -13.003  -0.507  12.480
  704   HH11  ARG  92          HH11      ARG  92  -9.688  -1.252  11.535
  705   HH12  ARG  92          HH12      ARG  92  -9.006  -0.831  13.076
  706   HH21  ARG  92          HH21      ARG  92 -12.107   0.043  14.512
  707   HH22  ARG  92          HH22      ARG  92 -10.382  -0.096  14.769
  708    H    GLY  93           H        GLY  93 -13.306  -5.931  13.361
  709    HA2  GLY  93           HA2      GLY  93 -12.867  -8.051  14.130
  710    HA3  GLY  93           HA3      GLY  93 -13.310  -8.621  12.494
  711    H    LYS  94           H        LYS  94 -10.790  -6.570  11.975
  712    HA   LYS  94           HA       LYS  94  -8.720  -6.891  11.198
  713    HB2  LYS  94           HB2      LYS  94  -8.405  -8.561  13.699
  714    HB3  LYS  94           HB3      LYS  94  -7.108  -7.805  12.747
  715    HG2  LYS  94           HG2      LYS  94  -8.329  -5.575  13.126
  716    HG3  LYS  94           HG3      LYS  94  -9.284  -6.426  14.354
  717    HD2  LYS  94           HD2      LYS  94  -6.249  -6.154  14.293
  718    HD3  LYS  94           HD3      LYS  94  -7.339  -5.272  15.373
  719    HE2  LYS  94           HE2      LYS  94  -7.020  -8.304  15.303
  720    HE3  LYS  94           HE3      LYS  94  -6.238  -7.222  16.471
  721    HZ1  LYS  94           HZ1      LYS  94  -8.406  -6.545  17.219
  722    HZ2  LYS  94           HZ2      LYS  94  -9.148  -7.549  16.147
  723    HZ3  LYS  94           HZ3      LYS  94  -8.233  -8.168  17.364
  724    H    ALA  95           H        ALA  95 -10.802  -9.362  10.854
  725    HA   ALA  95           HA       ALA  95  -9.021 -10.663   8.933
  726    HB1  ALA  95           HB1      ALA  95  -8.451 -11.857  11.028
  727    HB2  ALA  95           HB2      ALA  95 -10.174 -12.207  11.299
  728    HB3  ALA  95           HB3      ALA  95  -9.326 -12.925   9.910
  729    H    GLY  96           H        GLY  96 -12.159 -10.041  10.371
  730    HA2  GLY  96           HA2      GLY  96 -14.220 -10.005   9.354
  731    HA3  GLY  96           HA3      GLY  96 -13.505 -10.697   7.881
  732    H    VAL  97           H        VAL  97 -12.453 -12.624  10.361
  733    HA   VAL  97           HA       VAL  97 -14.728 -14.527  10.047
  734    HB   VAL  97           HB       VAL  97 -11.757 -15.074  10.441
  735   HG11  VAL  97          HG11      VAL  97 -14.107 -16.935   9.887
  736   HG12  VAL  97          HG12      VAL  97 -12.392 -17.414   9.866
  737   HG13  VAL  97          HG13      VAL  97 -13.132 -16.870  11.380
  738   HG21  VAL  97          HG21      VAL  97 -12.221 -14.144   8.227
  739   HG22  VAL  97          HG22      VAL  97 -11.835 -15.874   8.102
  740   HG23  VAL  97          HG23      VAL  97 -13.523 -15.332   7.978
  741    H    LYS  98           H        LYS  98 -12.657 -12.805  12.275
  742    HA   LYS  98           HA       LYS  98 -13.138 -14.528  14.553
  743    HB2  LYS  98           HB2      LYS  98 -12.212 -11.634  14.368
  744    HB3  LYS  98           HB3      LYS  98 -12.181 -12.614  15.838
  745    HG2  LYS  98           HG2      LYS  98 -10.643 -13.172  13.260
  746    HG3  LYS  98           HG3      LYS  98  -9.963 -12.526  14.754
  747    HD2  LYS  98           HD2      LYS  98 -11.198 -15.288  14.384
  748    HD3  LYS  98           HD3      LYS  98  -9.480 -14.924  14.527
  749    HE2  LYS  98           HE2      LYS  98 -11.567 -14.385  16.684
  750    HE3  LYS  98           HE3      LYS  98 -10.458 -15.763  16.652
  751    HZ1  LYS  98           HZ1      LYS  98  -9.632 -14.002  18.043
  752    HZ2  LYS  98           HZ2      LYS  98  -8.627 -14.222  16.761
  753    HZ3  LYS  98           HZ3      LYS  98  -9.651 -12.936  16.794
  754    H    ARG  99           H        ARG  99 -14.414 -14.126  16.372
  755    HA   ARG  99           HA       ARG  99 -17.004 -12.863  15.772
  756    HB2  ARG  99           HB2      ARG  99 -15.885 -14.709  17.865
  757    HB3  ARG  99           HB3      ARG  99 -17.301 -13.737  18.275
  758    HG2  ARG  99           HG2      ARG  99 -17.972 -15.930  17.441
  759    HG3  ARG  99           HG3      ARG  99 -18.555 -14.634  16.388
  760    HD2  ARG  99           HD2      ARG  99 -16.774 -15.081  14.778
  761    HD3  ARG  99           HD3      ARG  99 -16.050 -16.281  15.871
  762    HE   ARG  99           HE       ARG  99 -18.660 -17.143  15.517
  763   HH11  ARG  99          HH11      ARG  99 -15.960 -16.457  13.326
  764   HH12  ARG  99          HH12      ARG  99 -16.471 -17.649  12.155
  765   HH21  ARG  99          HH21      ARG  99 -19.290 -18.680  13.967
  766   HH22  ARG  99          HH22      ARG  99 -18.344 -18.900  12.515
  767    H    SER 100           H        SER 100 -18.040 -11.425  17.290
  768    HA   SER 100           HA       SER 100 -16.255  -9.288  18.222
  769    HB2  SER 100           HB2      SER 100 -19.263  -9.671  18.356
  770    HB3  SER 100           HB3      SER 100 -18.396  -8.172  18.768
  771    HG   SER 100           HG       SER 100 -19.195  -8.190  16.601
  772    H    ALA 101           H        ALA 101 -16.202  -8.559  20.492
  773    HA   ALA 101           HA       ALA 101 -16.041 -10.769  22.299
  774    HB1  ALA 101           HB1      ALA 101 -14.619  -8.776  22.463
  775    HB2  ALA 101           HB2      ALA 101 -16.042  -7.779  22.849
  776    HB3  ALA 101           HB3      ALA 101 -15.514  -9.054  23.973
  777    H    ALA 102           H        ALA 102 -18.758  -9.001  21.228
  778    HA   ALA 102           HA       ALA 102 -20.325  -9.499  23.683
  779    HB1  ALA 102           HB1      ALA 102 -21.040  -8.207  21.025
  780    HB2  ALA 102           HB2      ALA 102 -22.060  -8.233  22.485
  781    HB3  ALA 102           HB3      ALA 102 -20.519  -7.335  22.486
  782    H    GLU 103           H        GLU 103 -19.427 -11.165  20.871
  783    HA   GLU 103           HA       GLU 103 -21.779 -12.974  21.112
  784    HB2  GLU 103           HB2      GLU 103 -20.279 -12.160  18.590
  785    HB3  GLU 103           HB3      GLU 103 -21.547 -13.402  18.678
  786    HG2  GLU 103           HG2      GLU 103 -23.142 -11.683  19.514
  787    HG3  GLU 103           HG3      GLU 103 -21.888 -10.448  19.325
  788    H    MET 104           H        MET 104 -18.630 -12.662  21.826
  789    HA   MET 104           HA       MET 104 -17.710 -15.264  20.811
  790    HB2  MET 104           HB2      MET 104 -16.282 -13.279  20.701
  791    HB3  MET 104           HB3      MET 104 -16.335 -13.120  22.471
  792    HG2  MET 104           HG2      MET 104 -15.246 -15.337  22.680
  793    HG3  MET 104           HG3      MET 104 -15.198 -15.471  20.912
  794    HE1  MET 104           HE1      MET 104 -14.517 -12.197  20.400
  795    HE2  MET 104           HE2      MET 104 -12.793 -12.441  20.021
  796    HE3  MET 104           HE3      MET 104 -14.010 -13.579  19.402
  797    H    TYR 105           H        TYR 105 -19.181 -13.903  23.628
  798    HA   TYR 105           HA       TYR 105 -18.662 -16.414  25.145
  799    HB2  TYR 105           HB2      TYR 105 -18.643 -13.576  26.236
  800    HB3  TYR 105           HB3      TYR 105 -18.479 -15.047  27.191
  801    HD1  TYR 105           HD1      TYR 105 -16.410 -16.353  27.153
  802    HD2  TYR 105           HD2      TYR 105 -16.822 -12.758  24.833
  803    HE1  TYR 105           HE1      TYR 105 -13.944 -16.282  26.838
  804    HE2  TYR 105           HE2      TYR 105 -14.361 -12.680  24.502
  805    HH   TYR 105           HH       TYR 105 -12.178 -15.161  25.894
  806    H    GLY 106           H        GLY 106 -20.905 -14.228  23.837
  807    HA2  GLY 106           HA2      GLY 106 -23.190 -14.132  23.927
  808    HA3  GLY 106           HA3      GLY 106 -23.166 -15.624  24.889
  809    H5'    A   1           H5'        A   1   2.441  -6.355   7.298
  810   H5''    A   1          H5''        A   1   4.198  -6.573   7.335
  811    H4'    A   1           H4'        A   1   2.138  -8.778   6.819
  812    H3'    A   1           H3'        A   1   2.546  -7.709   9.244
  813    H2'    A   1           H2'        A   1   4.835  -7.630   9.437
  814   HO2'    A   1          HO2'        A   1   4.246  -9.289  10.955
  815    H1'    A   1           H1'        A   1   5.711 -10.000   7.955
  816    H8     A   1           H8         A   1   5.741  -8.168   5.269
  817    H61    A   1           H61        A   1  10.231  -4.357   7.319
  818    H62    A   1           H62        A   1   9.395  -4.913   5.879
  819    H2     A   1           H2         A   1   8.540  -6.397  10.775
  820    H5'    U   2           H5'        U   2   0.663  -7.442   9.188
  821   H5''    U   2          H5''        U   2  -0.145  -7.415  10.763
  822    H4'    U   2           H4'        U   2  -1.701  -6.536   9.213
  823    H3'    U   2           H3'        U   2  -2.372  -8.820  10.628
  824    H2'    U   2           H2'        U   2  -1.829 -10.362   8.929
  825   HO2'    U   2          HO2'        U   2  -4.105 -10.592   9.381
  826    H1'    U   2           H1'        U   2  -3.018  -8.626   6.792
  827    H3     U   2           H3         U   2  -1.833 -12.044   4.043
  828    H5     U   2           H5         U   2   1.563 -11.515   6.477
  829    H6     U   2           H6         U   2   0.425  -9.727   7.589
  830    H5'    U   3           H5'        U   3  -4.856  -5.372   8.268
  831   H5''    U   3          H5''        U   3  -4.188  -4.345   9.559
  832    H4'    U   3           H4'        U   3  -5.808  -2.992   8.588
  833    H3'    U   3           H3'        U   3  -6.257  -3.930  11.233
  834    H2'    U   3           H2'        U   3  -8.215  -5.096  10.601
  835   HO2'    U   3          HO2'        U   3  -8.873  -3.279  11.951
  836    H1'    U   3           H1'        U   3  -8.653  -2.950   8.502
  837    H3     U   3           H3         U   3 -12.518  -4.794   6.991
  838    H5     U   3           H5         U   3 -10.419  -8.096   8.542
  839    H6     U   3           H6         U   3  -8.629  -6.591   9.153
  840    H5'    U   4           H5'        U   4  -6.234   0.575   9.710
  841   H5''    U   4          H5''        U   4  -5.178   1.005  11.062
  842    H4'    U   4           H4'        U   4  -5.964   3.067  10.292
  843    H3'    U   4           H3'        U   4  -7.045   2.168  12.854
  844    H2'    U   4           H2'        U   4  -9.249   2.390  12.128
  845   HO2'    U   4          HO2'        U   4  -8.955   4.175  13.592
  846    H1'    U   4           H1'        U   4  -8.223   4.493  10.206
  847    H3     U   4           H3         U   4 -12.254   5.619   8.633
  848    H5     U   4           H5         U   4 -12.720   1.532   9.461
  849    H6     U   4           H6         U   4 -10.433   1.501  10.311
  850    H5'    U   5           H5'        U   5  -4.016   3.054  10.617
  851   H5''    U   5          H5''        U   5  -2.663   3.118  11.768
  852    H4'    U   5           H4'        U   5  -1.722   3.788   9.716
  853    H3'    U   5           H3'        U   5  -1.659   5.512  11.837
  854    H2'    U   5           H2'        U   5  -3.543   6.799  11.226
  855   HO2'    U   5          HO2'        U   5  -1.508   8.125  11.122
  856    H1'    U   5           H1'        U   5  -2.695   6.781   8.336
  857    H3     U   5           H3         U   5  -6.496   8.664   6.896
  858    H5     U   5           H5         U   5  -7.700   6.798  10.475
  859    H6     U   5           H6         U   5  -5.443   5.919  10.694
  860    H5'    U   6           H5'        U   6   1.932   5.008   8.821
  861   H5''    U   6          H5''        U   6   3.220   5.330   9.989
  862    H4'    U   6           H4'        U   6   4.226   5.577   7.866
  863    H3'    U   6           H3'        U   6   4.284   7.695   9.606
  864    H2'    U   6           H2'        U   6   2.433   8.868   8.797
  865   HO2'    U   6          HO2'        U   6   4.252  10.262   8.482
  866    H1'    U   6           H1'        U   6   3.091   8.361   5.911
  867    H3     U   6           H3         U   6  -0.824   9.219   4.134
  868    H5     U   6           H5         U   6  -1.701   8.995   8.228
  869    H6     U   6           H6         U   6   0.546   8.247   8.634
  870    H5'    C   7           H5'        C   7   5.609   7.064  10.941
  871   H5''    C   7          H5''        C   7   6.782   8.130  11.730
  872    H4'    C   7           H4'        C   7   7.554   5.365  10.714
  873    H3'    C   7           H3'        C   7   5.675   5.689  12.706
  874    H2'    C   7           H2'        C   7   7.071   7.142  14.029
  875   HO2'    C   7          HO2'        C   7   7.517   4.455  14.850
  876    H1'    C   7           H1'        C   7   9.300   5.176  13.397
  877    H41    C   7           H41        C   7  11.870  10.745  15.990
  878    H42    C   7           H42        C   7  12.698   9.427  16.800
  879    H5     C   7           H5         C   7  12.161   7.078  16.386
  880    H6     C   7           H6         C   7  10.738   5.576  15.115
  Start of MODEL   19
    1    H1   ALA   2           H        ALA   2   1.898  12.071  -6.923
    2    H2   ALA   2           H2       ALA   2   1.496  10.559  -6.385
    3    HA   ALA   2           HA       ALA   2  -0.067  13.010  -5.968
    4    HB1  ALA   2           HB1      ALA   2  -1.489  10.991  -6.198
    5    HB2  ALA   2           HB2      ALA   2  -0.548  10.186  -4.924
    6    HB3  ALA   2           HB3      ALA   2  -1.517  11.628  -4.543
    7    H    SER   3           H        SER   3  -0.342  13.397  -3.535
    8    HA   SER   3           HA       SER   3   2.307  13.530  -2.355
    9    HB2  SER   3           HB2      SER   3   0.531  15.334  -2.265
   10    HB3  SER   3           HB3      SER   3  -0.351  14.307  -1.112
   11    HG   SER   3           HG       SER   3   1.085  15.848  -0.134
   12    H    ASN   4           H        ASN   4   2.007  13.191   0.293
   13    HA   ASN   4           HA       ASN   4   1.379  10.289   0.559
   14    HB2  ASN   4           HB2      ASN   4   3.301  10.130   2.070
   15    HB3  ASN   4           HB3      ASN   4   3.780  10.672   0.462
   16   HD21  ASN   4          HD21      ASN   4   3.230  11.705   3.834
   17   HD22  ASN   4          HD22      ASN   4   4.157  13.185   3.721
   18    H    VAL   5           H        VAL   5  -0.335  12.766   1.246
   19    HA   VAL   5           HA       VAL   5  -0.491  12.280   4.178
   20    HB   VAL   5           HB       VAL   5  -1.566  14.822   3.052
   21   HG11  VAL   5          HG11      VAL   5  -0.775  15.628   5.229
   22   HG12  VAL   5          HG12      VAL   5  -1.721  14.133   5.442
   23   HG13  VAL   5          HG13      VAL   5   0.048  14.078   5.528
   24   HG21  VAL   5          HG21      VAL   5   0.587  14.763   1.911
   25   HG22  VAL   5          HG22      VAL   5   0.659  15.911   3.263
   26   HG23  VAL   5          HG23      VAL   5   1.415  14.313   3.432
   27    H    THR   6           H        THR   6  -2.330  11.599   4.991
   28    HA   THR   6           HA       THR   6  -4.829  11.831   3.460
   29    HB   THR   6           HB       THR   6  -5.250   9.427   3.477
   30    HG1  THR   6           HG1      THR   6  -3.998   8.896   5.306
   31   HG21  THR   6          HG21      THR   6  -2.454   9.838   2.350
   32   HG22  THR   6          HG22      THR   6  -3.669   8.648   1.842
   33   HG23  THR   6          HG23      THR   6  -3.949  10.375   1.532
   34    H    ASN   7           H        ASN   7  -3.575  12.572   6.294
   35    HA   ASN   7           HA       ASN   7  -5.590  11.090   7.901
   36    HB2  ASN   7           HB2      ASN   7  -4.127  11.216   9.777
   37    HB3  ASN   7           HB3      ASN   7  -3.243  10.581   8.396
   38   HD21  ASN   7          HD21      ASN   7  -1.482  11.274  10.019
   39   HD22  ASN   7          HD22      ASN   7  -0.839  12.893   9.791
   40    H    LYS   8           H        LYS   8  -5.841  13.880   6.492
   41    HA   LYS   8           HA       LYS   8  -6.205  15.741   8.674
   42    HB2  LYS   8           HB2      LYS   8  -6.799  15.655   5.746
   43    HB3  LYS   8           HB3      LYS   8  -7.829  16.703   6.721
   44    HG2  LYS   8           HG2      LYS   8  -5.850  17.902   5.828
   45    HG3  LYS   8           HG3      LYS   8  -5.954  17.939   7.585
   46    HD2  LYS   8           HD2      LYS   8  -3.638  17.546   6.828
   47    HD3  LYS   8           HD3      LYS   8  -4.255  16.185   7.779
   48    HE2  LYS   8           HE2      LYS   8  -3.073  15.309   5.894
   49    HE3  LYS   8           HE3      LYS   8  -4.798  14.988   5.659
   50    HZ1  LYS   8           HZ1      LYS   8  -3.761  15.836   3.650
   51    HZ2  LYS   8           HZ2      LYS   8  -4.876  16.912   4.190
   52    HZ3  LYS   8           HZ3      LYS   8  -3.281  17.202   4.421
   53    H    THR   9           H        THR   9  -8.402  16.746   9.122
   54    HA   THR   9           HA       THR   9 -10.454  14.603   9.379
   55    HB   THR   9           HB       THR   9 -10.861  15.344  11.713
   56    HG1  THR   9           HG1      THR   9  -9.222  16.594  12.676
   57   HG21  THR   9          HG21      THR   9  -8.006  14.418  11.175
   58   HG22  THR   9          HG22      THR   9  -8.927  14.184  12.677
   59   HG23  THR   9          HG23      THR   9  -9.440  13.368  11.184
   60    H    ASP  10           H        ASP  10 -10.129  17.081   7.631
   61    HA   ASP  10           HA       ASP  10 -12.048  19.001   8.515
   62    HB2  ASP  10           HB2      ASP  10 -11.017  18.280   5.747
   63    HB3  ASP  10           HB3      ASP  10 -11.982  19.713   6.111
   64    HA   PRO  11           HA       PRO  11 -15.871  17.101   7.844
   65    HB2  PRO  11           HB2      PRO  11 -17.463  19.130   6.891
   66    HB3  PRO  11           HB3      PRO  11 -16.833  19.066   8.577
   67    HG2  PRO  11           HG2      PRO  11 -15.677  20.551   6.201
   68    HG3  PRO  11           HG3      PRO  11 -16.021  21.188   7.852
   69    HD2  PRO  11           HD2      PRO  11 -13.536  20.371   7.175
   70    HD3  PRO  11           HD3      PRO  11 -14.207  19.963   8.783
   71    H    ARG  12           H        ARG  12 -14.099  18.140   5.117
   72    HA   ARG  12           HA       ARG  12 -15.947  16.577   3.370
   73    HB2  ARG  12           HB2      ARG  12 -15.320  17.969   1.491
   74    HB3  ARG  12           HB3      ARG  12 -15.921  18.973   2.817
   75    HG2  ARG  12           HG2      ARG  12 -14.078  20.175   2.106
   76    HG3  ARG  12           HG3      ARG  12 -13.393  19.254   3.448
   77    HD2  ARG  12           HD2      ARG  12 -12.515  17.574   1.799
   78    HD3  ARG  12           HD3      ARG  12 -13.188  18.546   0.481
   79    HE   ARG  12           HE       ARG  12 -10.800  19.089   2.103
   80   HH11  ARG  12          HH11      ARG  12 -13.170  20.416  -0.166
   81   HH12  ARG  12          HH12      ARG  12 -12.135  21.740  -0.653
   82   HH21  ARG  12          HH21      ARG  12  -9.473  20.808   1.433
   83   HH22  ARG  12          HH22      ARG  12 -10.043  21.948   0.237
   84    H    SER  13           H        SER  13 -12.819  16.798   4.774
   85    HA   SER  13           HA       SER  13 -11.574  15.107   2.711
   86    HB2  SER  13           HB2      SER  13 -10.499  16.172   5.340
   87    HB3  SER  13           HB3      SER  13  -9.564  15.319   4.090
   88    HG   SER  13           HG       SER  13  -9.421  17.599   3.895
   89    H    MET  14           H        MET  14 -13.332  14.796   5.686
   90    HA   MET  14           HA       MET  14 -12.344  12.161   6.398
   91    HB2  MET  14           HB2      MET  14 -14.647  13.945   7.222
   92    HB3  MET  14           HB3      MET  14 -14.555  12.282   7.807
   93    HG2  MET  14           HG2      MET  14 -12.055  13.904   8.023
   94    HG3  MET  14           HG3      MET  14 -13.386  14.382   9.061
   95    HE1  MET  14           HE1      MET  14 -11.292  11.168   7.959
   96    HE2  MET  14           HE2      MET  14 -11.803  10.011   9.212
   97    HE3  MET  14           HE3      MET  14 -12.977  10.587   8.017
   98    H    ASN  15           H        ASN  15 -14.369  13.314   3.901
   99    HA   ASN  15           HA       ASN  15 -15.520  10.595   3.556
  100    HB2  ASN  15           HB2      ASN  15 -17.491  11.883   2.476
  101    HB3  ASN  15           HB3      ASN  15 -17.386  11.774   4.240
  102   HD21  ASN  15          HD21      ASN  15 -16.885  13.594   5.485
  103   HD22  ASN  15          HD22      ASN  15 -16.977  15.211   4.827
  104    H    SER  16           H        SER  16 -13.395  12.846   2.296
  105    HA   SER  16           HA       SER  16 -13.843  11.913  -0.487
  106    HB2  SER  16           HB2      SER  16 -12.291  13.639  -1.142
  107    HB3  SER  16           HB3      SER  16 -13.493  14.359  -0.041
  108    HG   SER  16           HG       SER  16 -11.344  14.940   0.468
  109    H    ARG  17           H        ARG  17 -12.695  10.520   2.061
  110    HA   ARG  17           HA       ARG  17 -10.052   9.658   0.954
  111    HB2  ARG  17           HB2      ARG  17 -10.057  10.902   3.048
  112    HB3  ARG  17           HB3      ARG  17 -11.127   9.700   3.790
  113    HG2  ARG  17           HG2      ARG  17  -9.384   7.950   3.500
  114    HG3  ARG  17           HG3      ARG  17  -8.334   9.143   2.692
  115    HD2  ARG  17           HD2      ARG  17  -9.372   9.251   5.544
  116    HD3  ARG  17           HD3      ARG  17  -7.688   8.970   5.037
  117    HE   ARG  17           HE       ARG  17  -8.122  11.333   3.863
  118   HH11  ARG  17          HH11      ARG  17  -8.937  10.314   7.160
  119   HH12  ARG  17          HH12      ARG  17  -8.926  11.961   7.759
  120   HH21  ARG  17          HH21      ARG  17  -8.152  13.396   4.661
  121   HH22  ARG  17          HH22      ARG  17  -8.470  13.694   6.368
  122    H    VAL  18           H        VAL  18  -9.479   7.450   1.183
  123    HA   VAL  18           HA       VAL  18 -11.793   5.578   1.421
  124    HB   VAL  18           HB       VAL  18  -9.353   5.283  -0.366
  125   HG11  VAL  18          HG11      VAL  18 -10.359   3.163   0.309
  126   HG12  VAL  18          HG12      VAL  18 -11.965   3.741  -0.189
  127   HG13  VAL  18          HG13      VAL  18 -10.693   3.489  -1.405
  128   HG21  VAL  18          HG21      VAL  18 -12.190   6.146  -1.086
  129   HG22  VAL  18          HG22      VAL  18 -10.716   7.135  -1.226
  130   HG23  VAL  18          HG23      VAL  18 -10.918   5.702  -2.251
  131    H    PHE  19           H        PHE  19 -11.579   4.117   2.975
  132    HA   PHE  19           HA       PHE  19  -8.911   3.541   4.147
  133    HB2  PHE  19           HB2      PHE  19 -10.633   4.067   5.736
  134    HB3  PHE  19           HB3      PHE  19 -11.770   2.973   4.969
  135    HD1  PHE  19           HD2      PHE  19  -8.189   2.557   6.090
  136    HD2  PHE  19           HD1      PHE  19 -12.262   1.216   6.384
  137    HE1  PHE  19           HE2      PHE  19  -7.475   0.717   7.590
  138    HE2  PHE  19           HE1      PHE  19 -11.552  -0.606   7.901
  139    HZ   PHE  19           HZ       PHE  19  -9.161  -0.876   8.498
  140    H    ILE  20           H        ILE  20  -7.928   1.533   3.798
  141    HA   ILE  20           HA       ILE  20  -9.469  -0.480   2.211
  142    HB   ILE  20           HB       ILE  20  -6.576   0.339   1.772
  143   HG12  ILE  20          HG12      ILE  20  -8.941   0.856  -0.076
  144   HG13  ILE  20          HG13      ILE  20  -8.298   2.059   1.057
  145   HG21  ILE  20          HG21      ILE  20  -7.105  -2.051   1.292
  146   HG22  ILE  20          HG22      ILE  20  -8.418  -1.544   0.216
  147   HG23  ILE  20          HG23      ILE  20  -6.730  -1.162  -0.192
  148   HD11  ILE  20          HD11      ILE  20  -6.703   0.731  -1.177
  149   HD12  ILE  20          HD12      ILE  20  -7.340   2.390  -1.173
  150   HD13  ILE  20          HD13      ILE  20  -6.081   1.922  -0.014
  151    H    GLY  21           H        GLY  21  -9.799  -1.853   3.917
  152    HA2  GLY  21           HA2      GLY  21  -7.516  -2.603   5.656
  153    HA3  GLY  21           HA3      GLY  21  -9.217  -2.968   5.935
  154    H    ASN  22           H        ASN  22  -7.364  -4.922   6.298
  155    HA   ASN  22           HA       ASN  22  -6.763  -7.007   5.796
  156    HB2  ASN  22           HB2      ASN  22  -9.301  -7.075   5.896
  157    HB3  ASN  22           HB3      ASN  22  -9.283  -7.158   4.131
  158   HD21  ASN  22          HD21      ASN  22  -8.721  -9.132   3.130
  159   HD22  ASN  22          HD22      ASN  22  -8.418 -10.599   4.039
  160    H    LEU  23           H        LEU  23  -5.759  -4.913   3.955
  161    HA   LEU  23           HA       LEU  23  -5.873  -5.837   1.262
  162    HB2  LEU  23           HB2      LEU  23  -5.452  -3.524   1.941
  163    HB3  LEU  23           HB3      LEU  23  -3.940  -3.996   2.713
  164    HG   LEU  23           HG       LEU  23  -3.000  -4.644   0.512
  165   HD11  LEU  23          HD11      LEU  23  -5.113  -5.269  -0.644
  166   HD12  LEU  23          HD12      LEU  23  -5.631  -3.569  -0.597
  167   HD13  LEU  23          HD13      LEU  23  -4.210  -4.043  -1.556
  168   HD21  LEU  23          HD21      LEU  23  -2.685  -2.359   1.335
  169   HD22  LEU  23          HD22      LEU  23  -4.243  -1.869   0.626
  170   HD23  LEU  23          HD23      LEU  23  -2.897  -2.347  -0.432
  171    H    ASN  24           H        ASN  24  -4.263  -6.799  -0.042
  172    HA   ASN  24           HA       ASN  24  -2.799  -8.972   1.136
  173    HB2  ASN  24           HB2      ASN  24  -2.185  -9.358  -1.249
  174    HB3  ASN  24           HB3      ASN  24  -3.931  -9.145  -1.021
  175   HD21  ASN  24          HD21      ASN  24  -0.963  -7.628  -2.185
  176   HD22  ASN  24          HD22      ASN  24  -1.752  -6.422  -3.193
  177    H    THR  25           H        THR  25  -1.747  -6.823   2.412
  178    HA   THR  25           HA       THR  25   0.144  -5.240   1.104
  179    HB   THR  25           HB       THR  25   0.970  -4.849   3.465
  180    HG1  THR  25           HG1      THR  25  -0.305  -5.943   5.048
  181   HG21  THR  25          HG21      THR  25  -2.056  -4.890   3.134
  182   HG22  THR  25          HG22      THR  25  -1.132  -3.895   4.281
  183   HG23  THR  25          HG23      THR  25  -0.972  -3.602   2.536
  184    H    LEU  26           H        LEU  26   0.560  -8.612   1.775
  185    HA   LEU  26           HA       LEU  26   3.465  -8.336   2.107
  186    HB2  LEU  26           HB2      LEU  26   1.927 -10.881   1.470
  187    HB3  LEU  26           HB3      LEU  26   3.567 -10.723   2.118
  188    HG   LEU  26           HG       LEU  26   0.918 -10.296   3.479
  189   HD11  LEU  26          HD11      LEU  26   3.519 -11.602   4.379
  190   HD12  LEU  26          HD12      LEU  26   1.968 -11.669   5.223
  191   HD13  LEU  26          HD13      LEU  26   2.148 -12.486   3.643
  192   HD21  LEU  26          HD21      LEU  26   2.149  -9.353   5.426
  193   HD22  LEU  26          HD22      LEU  26   2.115  -8.244   4.044
  194   HD23  LEU  26          HD23      LEU  26   3.595  -9.180   4.397
  195    H    VAL  27           H        VAL  27   1.376  -7.980  -0.444
  196    HA   VAL  27           HA       VAL  27   3.527  -8.550  -2.426
  197    HB   VAL  27           HB       VAL  27   0.563  -9.093  -2.841
  198   HG11  VAL  27          HG11      VAL  27   1.811  -8.676  -4.912
  199   HG12  VAL  27          HG12      VAL  27   3.050  -9.858  -4.422
  200   HG13  VAL  27          HG13      VAL  27   1.399 -10.398  -4.790
  201   HG21  VAL  27          HG21      VAL  27   1.390 -10.671  -1.149
  202   HG22  VAL  27          HG22      VAL  27   1.154 -11.503  -2.691
  203   HG23  VAL  27          HG23      VAL  27   2.800 -11.046  -2.168
  204    H    VAL  28           H        VAL  28   1.037  -6.428  -1.168
  205    HA   VAL  28           HA       VAL  28   1.026  -4.756  -3.558
  206    HB   VAL  28           HB       VAL  28  -0.720  -5.129  -1.464
  207   HG11  VAL  28          HG11      VAL  28   0.411  -2.330  -1.104
  208   HG12  VAL  28          HG12      VAL  28  -0.892  -3.111  -0.186
  209   HG13  VAL  28          HG13      VAL  28   0.780  -3.679  -0.005
  210   HG21  VAL  28          HG21      VAL  28  -2.005  -3.325  -2.487
  211   HG22  VAL  28          HG22      VAL  28  -0.550  -2.699  -3.286
  212   HG23  VAL  28          HG23      VAL  28  -1.207  -4.289  -3.744
  213    H    LYS  29           H        LYS  29   1.741  -2.506  -3.520
  214    HA   LYS  29           HA       LYS  29   3.711  -1.779  -1.450
  215    HB2  LYS  29           HB2      LYS  29   5.044  -0.807  -3.569
  216    HB3  LYS  29           HB3      LYS  29   5.386  -2.385  -2.871
  217    HG2  LYS  29           HG2      LYS  29   3.301  -2.296  -5.021
  218    HG3  LYS  29           HG3      LYS  29   4.979  -2.013  -5.499
  219    HD2  LYS  29           HD2      LYS  29   5.728  -4.095  -4.615
  220    HD3  LYS  29           HD3      LYS  29   4.206  -4.382  -3.751
  221    HE2  LYS  29           HE2      LYS  29   2.990  -4.639  -5.820
  222    HE3  LYS  29           HE3      LYS  29   4.416  -4.185  -6.776
  223    HZ1  LYS  29           HZ1      LYS  29   4.140  -6.570  -5.073
  224    HZ2  LYS  29           HZ2      LYS  29   4.141  -6.553  -6.714
  225    HZ3  LYS  29           HZ3      LYS  29   5.509  -6.155  -5.895
  226    H    LYS  30           H        LYS  30   4.378   0.605  -1.839
  227    HA   LYS  30           HA       LYS  30   2.044   2.216  -1.765
  228    HB2  LYS  30           HB2      LYS  30   4.139   2.857  -0.699
  229    HB3  LYS  30           HB3      LYS  30   4.979   2.870  -2.258
  230    HG2  LYS  30           HG2      LYS  30   4.464   5.146  -1.520
  231    HG3  LYS  30           HG3      LYS  30   3.628   4.760  -3.023
  232    HD2  LYS  30           HD2      LYS  30   1.527   4.374  -1.777
  233    HD3  LYS  30           HD3      LYS  30   2.382   4.621  -0.239
  234    HE2  LYS  30           HE2      LYS  30   1.135   6.632  -0.949
  235    HE3  LYS  30           HE3      LYS  30   2.879   6.933  -0.827
  236    HZ1  LYS  30           HZ1      LYS  30   1.949   7.871  -2.829
  237    HZ2  LYS  30           HZ2      LYS  30   3.021   6.691  -3.212
  238    HZ3  LYS  30           HZ3      LYS  30   1.417   6.400  -3.328
  239    H    SER  31           H        SER  31   3.978   1.098  -4.483
  240    HA   SER  31           HA       SER  31   2.918   3.144  -6.294
  241    HB2  SER  31           HB2      SER  31   4.620   0.685  -6.836
  242    HB3  SER  31           HB3      SER  31   4.299   2.015  -7.969
  243    HG   SER  31           HG       SER  31   6.290   2.265  -6.854
  244    H    ASP  32           H        ASP  32   1.703   0.229  -5.016
  245    HA   ASP  32           HA       ASP  32   0.211  -0.458  -7.476
  246    HB2  ASP  32           HB2      ASP  32   0.771  -1.745  -4.820
  247    HB3  ASP  32           HB3      ASP  32  -0.686  -2.205  -5.681
  248    H    VAL  33           H        VAL  33  -0.335   0.820  -4.134
  249    HA   VAL  33           HA       VAL  33  -3.194   0.736  -4.414
  250    HB   VAL  33           HB       VAL  33  -1.455   2.410  -2.564
  251   HG11  VAL  33          HG11      VAL  33  -3.494   2.449  -1.148
  252   HG12  VAL  33          HG12      VAL  33  -3.766   3.252  -2.707
  253   HG13  VAL  33          HG13      VAL  33  -4.396   1.607  -2.432
  254   HG21  VAL  33          HG21      VAL  33  -1.997   0.573  -0.942
  255   HG22  VAL  33          HG22      VAL  33  -2.772  -0.329  -2.255
  256   HG23  VAL  33          HG23      VAL  33  -1.025  -0.001  -2.313
  257    H    GLU  34           H        GLU  34  -0.694   3.137  -5.252
  258    HA   GLU  34           HA       GLU  34  -2.700   5.123  -5.973
  259    HB2  GLU  34           HB2      GLU  34  -0.837   6.473  -6.704
  260    HB3  GLU  34           HB3      GLU  34  -0.496   5.793  -5.100
  261    HG2  GLU  34           HG2      GLU  34   0.936   4.072  -6.099
  262    HG3  GLU  34           HG3      GLU  34   0.532   4.644  -7.726
  263    H    ALA  35           H        ALA  35  -1.917   2.244  -7.364
  264    HA   ALA  35           HA       ALA  35  -2.368   3.291 -10.121
  265    HB1  ALA  35           HB1      ALA  35  -0.195   2.164  -9.817
  266    HB2  ALA  35           HB2      ALA  35  -1.023   0.722  -9.188
  267    HB3  ALA  35           HB3      ALA  35  -1.256   1.213 -10.880
  268    H    ILE  36           H        ILE  36  -3.782   1.613  -7.514
  269    HA   ILE  36           HA       ILE  36  -5.638   0.091  -9.275
  270    HB   ILE  36           HB       ILE  36  -4.929  -0.063  -6.335
  271   HG12  ILE  36          HG12      ILE  36  -4.694  -2.198  -8.494
  272   HG13  ILE  36          HG13      ILE  36  -3.408  -1.022  -8.209
  273   HG21  ILE  36          HG21      ILE  36  -6.966  -1.707  -7.900
  274   HG22  ILE  36          HG22      ILE  36  -6.440  -2.023  -6.227
  275   HG23  ILE  36          HG23      ILE  36  -7.347  -0.553  -6.598
  276   HD11  ILE  36          HD11      ILE  36  -3.297  -1.713  -5.827
  277   HD12  ILE  36          HD12      ILE  36  -4.506  -2.979  -6.152
  278   HD13  ILE  36          HD13      ILE  36  -2.918  -3.036  -6.951
  279    H    PHE  37           H        PHE  37  -5.441   2.877  -7.099
  280    HA   PHE  37           HA       PHE  37  -8.409   3.103  -7.241
  281    HB2  PHE  37           HB2      PHE  37  -6.387   4.178  -5.269
  282    HB3  PHE  37           HB3      PHE  37  -8.078   4.686  -5.308
  283    HD1  PHE  37           HD1      PHE  37  -5.999   1.551  -5.101
  284    HD2  PHE  37           HD2      PHE  37  -9.667   3.554  -4.091
  285    HE1  PHE  37           HE1      PHE  37  -6.696  -0.409  -3.754
  286    HE2  PHE  37           HE2      PHE  37 -10.370   1.590  -2.744
  287    HZ   PHE  37           HZ       PHE  37  -8.874  -0.393  -2.565
  288    H    SER  38           H        SER  38  -5.636   4.291  -8.753
  289    HA   SER  38           HA       SER  38  -6.596   7.024  -9.038
  290    HB2  SER  38           HB2      SER  38  -4.195   6.452  -9.018
  291    HB3  SER  38           HB3      SER  38  -4.401   5.536 -10.524
  292    HG   SER  38           HG       SER  38  -5.115   7.504 -11.485
  293    H    LYS  39           H        LYS  39  -7.707   4.135 -10.298
  294    HA   LYS  39           HA       LYS  39  -8.440   5.282 -12.919
  295    HB2  LYS  39           HB2      LYS  39  -9.235   3.088 -13.482
  296    HB3  LYS  39           HB3      LYS  39  -7.586   2.972 -12.849
  297    HG2  LYS  39           HG2      LYS  39  -8.386   2.136 -10.723
  298    HG3  LYS  39           HG3      LYS  39 -10.079   2.498 -11.150
  299    HD2  LYS  39           HD2      LYS  39  -9.972   0.913 -13.020
  300    HD3  LYS  39           HD3      LYS  39  -8.302   0.481 -12.579
  301    HE2  LYS  39           HE2      LYS  39 -10.697   0.220 -10.721
  302    HE3  LYS  39           HE3      LYS  39 -10.121  -1.096 -11.752
  303    HZ1  LYS  39           HZ1      LYS  39  -8.516   0.244  -9.678
  304    HZ2  LYS  39           HZ2      LYS  39  -9.220  -1.218  -9.524
  305    HZ3  LYS  39           HZ3      LYS  39  -8.010  -0.999 -10.624
  306    H    TYR  40           H        TYR  40  -9.629   5.475  -9.830
  307    HA   TYR  40           HA       TYR  40 -12.451   5.649 -10.788
  308    HB2  TYR  40           HB2      TYR  40 -11.224   4.526  -8.299
  309    HB3  TYR  40           HB3      TYR  40 -12.773   5.354  -8.159
  310    HD1  TYR  40           HD1      TYR  40 -14.639   4.654  -9.831
  311    HD2  TYR  40           HD2      TYR  40 -11.217   2.232  -8.865
  312    HE1  TYR  40           HE1      TYR  40 -15.888   2.630 -10.529
  313    HE2  TYR  40           HE2      TYR  40 -12.457   0.200  -9.588
  314    HH   TYR  40           HH       TYR  40 -15.819   0.356 -10.804
  315    H    GLY  41           H        GLY  41  -9.794   7.513  -9.899
  316    HA2  GLY  41           HA2      GLY  41 -11.235   9.914  -9.860
  317    HA3  GLY  41           HA3      GLY  41 -11.050   9.409  -8.171
  318    H    LYS  42           H        LYS  42  -9.959  11.770  -8.850
  319    HA   LYS  42           HA       LYS  42  -7.139  11.484  -9.558
  320    HB2  LYS  42           HB2      LYS  42  -8.270  13.485 -10.289
  321    HB3  LYS  42           HB3      LYS  42  -8.923  13.780  -8.661
  322    HG2  LYS  42           HG2      LYS  42  -7.054  15.303  -9.143
  323    HG3  LYS  42           HG3      LYS  42  -6.682  14.225  -7.797
  324    HD2  LYS  42           HD2      LYS  42  -5.412  12.740  -9.384
  325    HD3  LYS  42           HD3      LYS  42  -5.671  13.957 -10.657
  326    HE2  LYS  42           HE2      LYS  42  -4.408  14.504  -7.950
  327    HE3  LYS  42           HE3      LYS  42  -3.473  14.150  -9.417
  328    HZ1  LYS  42           HZ1      LYS  42  -5.304  16.437  -9.075
  329    HZ2  LYS  42           HZ2      LYS  42  -3.666  16.512  -9.057
  330    HZ3  LYS  42           HZ3      LYS  42  -4.456  16.095 -10.437
  331    H    ILE  43           H        ILE  43  -5.837  10.524  -8.082
  332    HA   ILE  43           HA       ILE  43  -6.313  10.912  -5.219
  333    HB   ILE  43           HB       ILE  43  -4.088   9.484  -6.731
  334   HG12  ILE  43          HG12      ILE  43  -6.619   8.493  -5.347
  335   HG13  ILE  43          HG13      ILE  43  -6.283   8.450  -7.090
  336   HG21  ILE  43          HG21      ILE  43  -4.842   9.461  -3.777
  337   HG22  ILE  43          HG22      ILE  43  -3.546   8.498  -4.535
  338   HG23  ILE  43          HG23      ILE  43  -3.406  10.255  -4.470
  339   HD11  ILE  43          HD11      ILE  43  -5.968   6.242  -6.107
  340   HD12  ILE  43          HD12      ILE  43  -4.402   6.876  -6.670
  341   HD13  ILE  43          HD13      ILE  43  -4.806   6.869  -4.936
  342    H    VAL  44           H        VAL  44  -5.430  12.471  -4.012
  343    HA   VAL  44           HA       VAL  44  -3.106  13.982  -5.114
  344    HB   VAL  44           HB       VAL  44  -3.945  15.893  -3.724
  345   HG11  VAL  44          HG11      VAL  44  -5.820  14.891  -5.911
  346   HG12  VAL  44          HG12      VAL  44  -5.607  16.581  -5.386
  347   HG13  VAL  44          HG13      VAL  44  -4.275  15.728  -6.182
  348   HG21  VAL  44          HG21      VAL  44  -5.438  14.555  -2.240
  349   HG22  VAL  44          HG22      VAL  44  -6.287  15.905  -3.028
  350   HG23  VAL  44          HG23      VAL  44  -6.513  14.260  -3.639
  351    H    GLY  45           H        GLY  45  -3.927  11.670  -2.939
  352    HA2  GLY  45           HA2      GLY  45  -1.436  12.000  -1.504
  353    HA3  GLY  45           HA3      GLY  45  -2.847  12.278  -0.474
  354    H    CYS  46           H        CYS  46  -0.780   9.994  -0.631
  355    HA   CYS  46           HA       CYS  46  -2.769   7.854  -0.333
  356    HB2  CYS  46           HB2      CYS  46  -2.288   7.794  -2.741
  357    HB3  CYS  46           HB3      CYS  46  -0.548   7.714  -2.409
  358    HG   CYS  46           HG       CYS  46  -2.888   5.605  -1.383
  359    H    SER  47           H        SER  47  -2.007   6.129   0.936
  360    HA   SER  47           HA       SER  47   0.816   6.000   1.696
  361    HB2  SER  47           HB2      SER  47   0.357   6.236   4.111
  362    HB3  SER  47           HB3      SER  47  -0.023   7.719   3.217
  363    HG   SER  47           HG       SER  47  -1.779   7.384   4.447
  364    H    VAL  48           H        VAL  48   1.259   4.094   3.062
  365    HA   VAL  48           HA       VAL  48  -0.874   2.036   3.033
  366    HB   VAL  48           HB       VAL  48   1.951   1.682   1.967
  367   HG11  VAL  48          HG11      VAL  48   1.215  -0.349   3.126
  368   HG12  VAL  48          HG12      VAL  48  -0.337  -0.310   2.251
  369   HG13  VAL  48          HG13      VAL  48   1.180  -0.610   1.373
  370   HG21  VAL  48          HG21      VAL  48   0.521   2.806   0.326
  371   HG22  VAL  48          HG22      VAL  48   0.784   1.124  -0.170
  372   HG23  VAL  48          HG23      VAL  48  -0.760   1.599   0.578
  373    H    HIS  49           H        HIS  49  -0.574   0.394   4.664
  374    HA   HIS  49           HA       HIS  49   1.445   1.042   6.727
  375    HB2  HIS  49           HB2      HIS  49  -1.534   0.861   7.285
  376    HB3  HIS  49           HB3      HIS  49  -0.253   1.288   8.431
  377    HD2  HIS  49           HD3      HIS  49  -2.344   2.718   5.531
  378    HE1  HIS  49           HE1      HIS  49  -0.196   5.993   7.188
  379    HE2  HIS  49           HE2      HIS  49  -1.989   5.317   5.518
  380    H    LYS  50           H        LYS  50   1.077  -0.525   8.699
  381    HA   LYS  50           HA       LYS  50   1.227  -3.230   7.729
  382    HB2  LYS  50           HB2      LYS  50   1.332  -1.868  10.395
  383    HB3  LYS  50           HB3      LYS  50   0.994  -3.604  10.361
  384    HG2  LYS  50           HG2      LYS  50   3.407  -2.398   8.976
  385    HG3  LYS  50           HG3      LYS  50   3.406  -2.996  10.650
  386    HD2  LYS  50           HD2      LYS  50   2.624  -5.233   9.808
  387    HD3  LYS  50           HD3      LYS  50   2.807  -4.629   8.152
  388    HE2  LYS  50           HE2      LYS  50   4.743  -5.958   8.788
  389    HE3  LYS  50           HE3      LYS  50   5.217  -4.271   8.543
  390    HZ1  LYS  50           HZ1      LYS  50   5.160  -3.976  10.925
  391    HZ2  LYS  50           HZ2      LYS  50   4.695  -5.538  11.151
  392    HZ3  LYS  50           HZ3      LYS  50   6.177  -5.204  10.525
  393    H    GLY  51           H        GLY  51  -0.718  -3.566   6.624
  394    HA2  GLY  51           HA2      GLY  51  -2.387  -5.305   6.998
  395    HA3  GLY  51           HA3      GLY  51  -2.922  -4.408   8.436
  396    H    PHE  52           H        PHE  52  -2.439  -1.909   6.521
  397    HA   PHE  52           HA       PHE  52  -4.870  -2.106   4.881
  398    HB2  PHE  52           HB2      PHE  52  -5.945  -0.219   6.074
  399    HB3  PHE  52           HB3      PHE  52  -5.782  -1.646   7.098
  400    HD1  PHE  52           HD1      PHE  52  -3.946  -1.721   8.849
  401    HD2  PHE  52           HD2      PHE  52  -4.901   1.851   6.644
  402    HE1  PHE  52           HE1      PHE  52  -2.709  -0.369  10.504
  403    HE2  PHE  52           HE2      PHE  52  -3.658   3.199   8.301
  404    HZ   PHE  52           HZ       PHE  52  -2.543   2.089  10.231
  405    H    ALA  53           H        ALA  53  -5.297   0.171   3.913
  406    HA   ALA  53           HA       ALA  53  -2.875   1.840   3.744
  407    HB1  ALA  53           HB1      ALA  53  -2.910   1.778   1.276
  408    HB2  ALA  53           HB2      ALA  53  -2.551   0.186   1.984
  409    HB3  ALA  53           HB3      ALA  53  -4.168   0.517   1.326
  410    H    PHE  54           H        PHE  54  -3.350   3.867   2.495
  411    HA   PHE  54           HA       PHE  54  -6.235   4.586   2.650
  412    HB2  PHE  54           HB2      PHE  54  -3.930   5.767   4.147
  413    HB3  PHE  54           HB3      PHE  54  -5.139   6.879   3.503
  414    HD1  PHE  54           HD1      PHE  54  -7.581   6.492   4.016
  415    HD2  PHE  54           HD2      PHE  54  -4.390   4.608   6.195
  416    HE1  PHE  54           HE1      PHE  54  -9.130   6.068   5.919
  417    HE2  PHE  54           HE2      PHE  54  -5.933   4.183   8.088
  418    HZ   PHE  54           HZ       PHE  54  -8.303   4.920   7.944
  419    H    VAL  55           H        VAL  55  -6.962   6.128   1.286
  420    HA   VAL  55           HA       VAL  55  -5.042   7.331  -0.631
  421    HB   VAL  55           HB       VAL  55  -7.629   5.883  -1.339
  422   HG11  VAL  55          HG11      VAL  55  -5.736   7.531  -3.053
  423   HG12  VAL  55          HG12      VAL  55  -7.070   6.524  -3.671
  424   HG13  VAL  55          HG13      VAL  55  -7.430   7.929  -2.658
  425   HG21  VAL  55          HG21      VAL  55  -5.687   4.378  -1.041
  426   HG22  VAL  55          HG22      VAL  55  -6.150   4.497  -2.750
  427   HG23  VAL  55          HG23      VAL  55  -4.732   5.389  -2.150
  428    H    GLN  56           H        GLN  56  -5.462   9.412  -1.075
  429    HA   GLN  56           HA       GLN  56  -7.914  10.611   0.123
  430    HB2  GLN  56           HB2      GLN  56  -5.867  11.157   1.351
  431    HB3  GLN  56           HB3      GLN  56  -5.085  11.704  -0.149
  432    HG2  GLN  56           HG2      GLN  56  -5.830  13.613   1.151
  433    HG3  GLN  56           HG3      GLN  56  -6.770  13.513  -0.344
  434   HE21  GLN  56          HE21      GLN  56  -8.983  13.192  -0.241
  435   HE22  GLN  56          HE22      GLN  56  -9.882  13.103   1.254
  436    H    TYR  57           H        TYR  57  -9.289  11.031  -1.457
  437    HA   TYR  57           HA       TYR  57  -8.332  11.831  -4.126
  438    HB2  TYR  57           HB2      TYR  57 -11.094  11.307  -2.968
  439    HB3  TYR  57           HB3      TYR  57 -10.804  11.880  -4.605
  440    HD1  TYR  57           HD1      TYR  57  -8.708  10.377  -5.736
  441    HD2  TYR  57           HD2      TYR  57 -11.684   9.071  -2.931
  442    HE1  TYR  57           HE1      TYR  57  -8.588   8.090  -6.691
  443    HE2  TYR  57           HE2      TYR  57 -11.590   6.772  -3.914
  444    HH   TYR  57           HH       TYR  57  -9.422   5.966  -6.618
  445    H    VAL  58           H        VAL  58  -9.969  13.631  -5.086
  446    HA   VAL  58           HA       VAL  58  -9.277  16.037  -3.581
  447    HB   VAL  58           HB       VAL  58 -10.591  15.580  -6.285
  448   HG11  VAL  58          HG11      VAL  58 -11.288  17.774  -5.426
  449   HG12  VAL  58          HG12      VAL  58  -9.603  18.159  -4.988
  450   HG13  VAL  58          HG13      VAL  58 -10.071  17.978  -6.696
  451   HG21  VAL  58          HG21      VAL  58  -8.217  14.884  -6.122
  452   HG22  VAL  58          HG22      VAL  58  -8.405  16.329  -7.139
  453   HG23  VAL  58          HG23      VAL  58  -7.806  16.485  -5.464
  454    H    ASN  59           H        ASN  59 -12.085  14.005  -4.083
  455    HA   ASN  59           HA       ASN  59 -13.715  15.747  -2.366
  456    HB2  ASN  59           HB2      ASN  59 -15.549  15.919  -4.012
  457    HB3  ASN  59           HB3      ASN  59 -14.079  16.720  -4.577
  458   HD21  ASN  59          HD21      ASN  59 -13.634  16.336  -6.679
  459   HD22  ASN  59          HD22      ASN  59 -14.070  14.873  -7.555
  460    H    GLU  60           H        GLU  60 -16.024  14.760  -2.214
  461    HA   GLU  60           HA       GLU  60 -15.722  12.104  -1.142
  462    HB2  GLU  60           HB2      GLU  60 -17.230  13.596  -0.063
  463    HB3  GLU  60           HB3      GLU  60 -18.043  14.010  -1.585
  464    HG2  GLU  60           HG2      GLU  60 -19.052  11.844  -1.769
  465    HG3  GLU  60           HG3      GLU  60 -18.075  11.199  -0.448
  466    H    ARG  61           H        ARG  61 -17.090  13.417  -4.143
  467    HA   ARG  61           HA       ARG  61 -18.547  11.150  -4.989
  468    HB2  ARG  61           HB2      ARG  61 -19.039  12.969  -6.250
  469    HB3  ARG  61           HB3      ARG  61 -17.443  13.673  -6.065
  470    HG2  ARG  61           HG2      ARG  61 -17.734  13.269  -8.377
  471    HG3  ARG  61           HG3      ARG  61 -16.548  12.111  -7.797
  472    HD2  ARG  61           HD2      ARG  61 -18.361  10.388  -7.635
  473    HD3  ARG  61           HD3      ARG  61 -19.509  11.582  -8.274
  474    HE   ARG  61           HE       ARG  61 -17.540  11.565 -10.181
  475   HH11  ARG  61          HH11      ARG  61 -19.439   9.006  -8.658
  476   HH12  ARG  61          HH12      ARG  61 -19.376   7.963 -10.062
  477   HH21  ARG  61          HH21      ARG  61 -17.461  10.185 -11.991
  478   HH22  ARG  61          HH22      ARG  61 -18.256   8.631 -11.941
  479    H    ASN  62           H        ASN  62 -15.099  11.964  -5.352
  480    HA   ASN  62           HA       ASN  62 -14.477   9.722  -7.052
  481    HB2  ASN  62           HB2      ASN  62 -12.907  11.641  -5.321
  482    HB3  ASN  62           HB3      ASN  62 -12.108  10.274  -6.125
  483   HD21  ASN  62          HD21      ASN  62 -14.707  12.545  -7.236
  484   HD22  ASN  62          HD22      ASN  62 -13.866  12.981  -8.716
  485    H    ALA  63           H        ALA  63 -14.585  10.207  -3.496
  486    HA   ALA  63           HA       ALA  63 -13.307   7.694  -2.885
  487    HB1  ALA  63           HB1      ALA  63 -13.424   9.539  -1.260
  488    HB2  ALA  63           HB2      ALA  63 -15.198   9.406  -1.224
  489    HB3  ALA  63           HB3      ALA  63 -14.191   8.069  -0.620
  490    H    ARG  64           H        ARG  64 -16.755   8.700  -3.209
  491    HA   ARG  64           HA       ARG  64 -17.847   6.181  -2.451
  492    HB2  ARG  64           HB2      ARG  64 -18.883   8.281  -4.412
  493    HB3  ARG  64           HB3      ARG  64 -19.860   6.983  -3.723
  494    HG2  ARG  64           HG2      ARG  64 -18.504   9.158  -2.079
  495    HG3  ARG  64           HG3      ARG  64 -20.186   9.206  -2.631
  496    HD2  ARG  64           HD2      ARG  64 -20.676   7.154  -1.372
  497    HD3  ARG  64           HD3      ARG  64 -18.992   7.078  -0.816
  498    HE   ARG  64           HE       ARG  64 -20.059   9.647  -0.191
  499   HH11  ARG  64          HH11      ARG  64 -20.432   6.274   0.821
  500   HH12  ARG  64          HH12      ARG  64 -20.837   6.714   2.467
  501   HH21  ARG  64          HH21      ARG  64 -20.648  10.169   1.895
  502   HH22  ARG  64          HH22      ARG  64 -20.997   8.915   3.068
  503    H    ALA  65           H        ALA  65 -16.301   7.321  -5.404
  504    HA   ALA  65           HA       ALA  65 -17.458   5.381  -7.180
  505    HB1  ALA  65           HB1      ALA  65 -14.823   6.885  -7.391
  506    HB2  ALA  65           HB2      ALA  65 -15.726   6.138  -8.719
  507    HB3  ALA  65           HB3      ALA  65 -16.408   7.546  -7.869
  508    H    ALA  66           H        ALA  66 -14.428   5.470  -5.224
  509    HA   ALA  66           HA       ALA  66 -13.711   2.805  -6.256
  510    HB1  ALA  66           HB1      ALA  66 -12.322   4.605  -4.240
  511    HB2  ALA  66           HB2      ALA  66 -11.648   3.141  -4.996
  512    HB3  ALA  66           HB3      ALA  66 -12.018   4.574  -5.993
  513    H    VAL  67           H        VAL  67 -15.123   4.253  -3.359
  514    HA   VAL  67           HA       VAL  67 -14.740   1.936  -1.677
  515    HB   VAL  67           HB       VAL  67 -16.435   4.440  -1.508
  516   HG11  VAL  67          HG11      VAL  67 -16.371   2.100   0.429
  517   HG12  VAL  67          HG12      VAL  67 -17.020   3.724   0.802
  518   HG13  VAL  67          HG13      VAL  67 -17.786   2.725  -0.445
  519   HG21  VAL  67          HG21      VAL  67 -14.151   3.300   0.157
  520   HG22  VAL  67          HG22      VAL  67 -13.980   4.542  -1.109
  521   HG23  VAL  67          HG23      VAL  67 -14.912   4.890   0.365
  522    H    ALA  68           H        ALA  68 -17.080   2.830  -4.138
  523    HA   ALA  68           HA       ALA  68 -18.618   0.362  -3.472
  524    HB1  ALA  68           HB1      ALA  68 -19.389   2.704  -5.247
  525    HB2  ALA  68           HB2      ALA  68 -20.405   1.310  -4.827
  526    HB3  ALA  68           HB3      ALA  68 -19.912   2.458  -3.562
  527    H    GLY  69           H        GLY  69 -16.195   1.534  -5.604
  528    HA2  GLY  69           HA2      GLY  69 -17.040  -0.192  -7.843
  529    HA3  GLY  69           HA3      GLY  69 -15.707   0.974  -7.817
  530    H    GLU  70           H        GLU  70 -14.539  -0.070  -5.285
  531    HA   GLU  70           HA       GLU  70 -13.293  -2.536  -6.451
  532    HB2  GLU  70           HB2      GLU  70 -12.122  -0.317  -4.743
  533    HB3  GLU  70           HB3      GLU  70 -11.266  -1.799  -5.195
  534    HG2  GLU  70           HG2      GLU  70 -12.394   0.177  -7.218
  535    HG3  GLU  70           HG3      GLU  70 -10.735   0.222  -6.607
  536    H    ASP  71           H        ASP  71 -15.108  -1.346  -3.725
  537    HA   ASP  71           HA       ASP  71 -13.910  -2.897  -1.685
  538    HB2  ASP  71           HB2      ASP  71 -15.500  -1.178  -1.166
  539    HB3  ASP  71           HB3      ASP  71 -16.761  -1.966  -2.117
  540    H    GLY  72           H        GLY  72 -13.881  -4.992  -1.172
  541    HA2  GLY  72           HA2      GLY  72 -14.591  -7.178  -1.018
  542    HA3  GLY  72           HA3      GLY  72 -15.984  -6.811  -2.052
  543    H    ARG  73           H        ARG  73 -12.918  -5.771  -3.361
  544    HA   ARG  73           HA       ARG  73 -13.171  -7.918  -5.369
  545    HB2  ARG  73           HB2      ARG  73 -12.040  -6.599  -6.863
  546    HB3  ARG  73           HB3      ARG  73 -12.974  -5.414  -5.930
  547    HG2  ARG  73           HG2      ARG  73 -11.041  -4.690  -4.724
  548    HG3  ARG  73           HG3      ARG  73 -10.080  -6.085  -5.260
  549    HD2  ARG  73           HD2      ARG  73 -11.217  -4.006  -7.147
  550    HD3  ARG  73           HD3      ARG  73  -9.567  -3.944  -6.487
  551    HE   ARG  73           HE       ARG  73  -9.467  -6.375  -7.495
  552   HH11  ARG  73          HH11      ARG  73 -10.974  -3.522  -8.973
  553   HH12  ARG  73          HH12      ARG  73 -10.703  -4.096 -10.601
  554   HH21  ARG  73          HH21      ARG  73  -9.122  -7.069  -9.623
  555   HH22  ARG  73          HH22      ARG  73  -9.647  -6.083 -10.967
  556    H    MET  74           H        MET  74 -11.247  -9.025  -6.196
  557    HA   MET  74           HA       MET  74  -9.373  -9.646  -3.993
  558    HB2  MET  74           HB2      MET  74 -10.454 -11.546  -4.949
  559    HB3  MET  74           HB3      MET  74 -10.004 -11.069  -6.600
  560    HG2  MET  74           HG2      MET  74  -7.741 -11.551  -6.278
  561    HG3  MET  74           HG3      MET  74  -7.854 -11.430  -4.520
  562    HE1  MET  74           HE1      MET  74  -9.246 -14.651  -3.246
  563    HE2  MET  74           HE2      MET  74  -8.551 -13.033  -2.940
  564    HE3  MET  74           HE3      MET  74 -10.189 -13.181  -3.602
  565    H    ILE  75           H        ILE  75  -7.268  -9.263  -4.042
  566    HA   ILE  75           HA       ILE  75  -5.915  -8.403  -6.518
  567    HB   ILE  75           HB       ILE  75  -5.747  -6.878  -3.891
  568   HG12  ILE  75          HG12      ILE  75  -7.098  -6.074  -6.501
  569   HG13  ILE  75          HG13      ILE  75  -7.920  -6.482  -4.985
  570   HG21  ILE  75          HG21      ILE  75  -4.357  -5.294  -5.139
  571   HG22  ILE  75          HG22      ILE  75  -3.655  -6.913  -5.245
  572   HG23  ILE  75          HG23      ILE  75  -4.563  -6.250  -6.626
  573   HD11  ILE  75          HD11      ILE  75  -6.112  -4.090  -5.469
  574   HD12  ILE  75          HD12      ILE  75  -7.863  -4.095  -5.168
  575   HD13  ILE  75          HD13      ILE  75  -6.742  -4.563  -3.873
  576    H    ALA  76           H        ALA  76  -3.894  -9.281  -6.611
  577    HA   ALA  76           HA       ALA  76  -2.234 -10.732  -6.165
  578    HB1  ALA  76           HB1      ALA  76  -1.523  -8.723  -4.893
  579    HB2  ALA  76           HB2      ALA  76  -2.261  -9.430  -3.438
  580    HB3  ALA  76           HB3      ALA  76  -0.888 -10.243  -4.210
  581    H    GLY  77           H        GLY  77  -5.122 -11.562  -5.150
  582    HA2  GLY  77           HA2      GLY  77  -5.542 -13.908  -4.935
  583    HA3  GLY  77           HA3      GLY  77  -4.083 -14.073  -3.943
  584    H    GLN  78           H        GLN  78  -5.470 -11.286  -2.762
  585    HA   GLN  78           HA       GLN  78  -7.324 -12.758  -0.941
  586    HB2  GLN  78           HB2      GLN  78  -5.263 -10.654  -0.186
  587    HB3  GLN  78           HB3      GLN  78  -6.553 -11.233   0.866
  588    HG2  GLN  78           HG2      GLN  78  -4.567 -12.390   1.481
  589    HG3  GLN  78           HG3      GLN  78  -5.648 -13.552   0.689
  590   HE21  GLN  78          HE21      GLN  78  -3.302 -11.092  -0.539
  591   HE22  GLN  78          HE22      GLN  78  -2.365 -12.226  -1.504
  592    H    VAL  79           H        VAL  79  -8.907 -11.329   0.098
  593    HA   VAL  79           HA       VAL  79  -9.728  -9.166  -1.775
  594    HB   VAL  79           HB       VAL  79 -11.321 -10.738   0.284
  595   HG11  VAL  79          HG11      VAL  79 -12.205  -8.536  -1.632
  596   HG12  VAL  79          HG12      VAL  79 -13.294  -9.582  -0.700
  597   HG13  VAL  79          HG13      VAL  79 -12.224  -8.456   0.141
  598   HG21  VAL  79          HG21      VAL  79 -10.751 -11.992  -1.774
  599   HG22  VAL  79          HG22      VAL  79 -12.480 -11.592  -1.740
  600   HG23  VAL  79          HG23      VAL  79 -11.369 -10.645  -2.763
  601    H    LEU  80           H        LEU  80 -10.311  -7.164  -1.032
  602    HA   LEU  80           HA       LEU  80  -9.331  -6.460   1.693
  603    HB2  LEU  80           HB2      LEU  80  -9.084  -4.113   0.432
  604    HB3  LEU  80           HB3      LEU  80  -7.785  -5.261   0.662
  605    HG   LEU  80           HG       LEU  80  -7.814  -4.291  -1.568
  606   HD11  LEU  80          HD11      LEU  80  -7.346  -6.227  -2.795
  607   HD12  LEU  80          HD12      LEU  80  -6.933  -6.620  -1.114
  608   HD13  LEU  80          HD13      LEU  80  -8.430  -7.243  -1.866
  609   HD21  LEU  80          HD21      LEU  80 -10.423  -5.774  -2.029
  610   HD22  LEU  80          HD22      LEU  80  -9.497  -4.794  -3.195
  611   HD23  LEU  80          HD23      LEU  80 -10.275  -4.028  -1.785
  612    H    ASP  81           H        ASP  81 -10.396  -4.963   2.873
  613    HA   ASP  81           HA       ASP  81 -13.261  -4.687   2.168
  614    HB2  ASP  81           HB2      ASP  81 -12.677  -5.869   4.263
  615    HB3  ASP  81           HB3      ASP  81 -11.732  -4.478   4.798
  616    H    ILE  82           H        ILE  82 -13.486  -2.821   0.993
  617    HA   ILE  82           HA       ILE  82 -11.940  -0.444   1.853
  618    HB   ILE  82           HB       ILE  82 -13.436  -1.039  -0.710
  619   HG12  ILE  82          HG12      ILE  82 -10.436  -0.815  -0.282
  620   HG13  ILE  82          HG13      ILE  82 -11.288  -2.368  -0.198
  621   HG21  ILE  82          HG21      ILE  82 -12.356   0.999  -1.575
  622   HG22  ILE  82          HG22      ILE  82 -13.368   1.373  -0.176
  623   HG23  ILE  82          HG23      ILE  82 -11.598   1.279   0.009
  624   HD11  ILE  82          HD11      ILE  82 -11.298  -0.516  -2.613
  625   HD12  ILE  82          HD12      ILE  82 -10.367  -2.022  -2.443
  626   HD13  ILE  82          HD13      ILE  82 -12.144  -2.078  -2.464
  627    H    ASN  83           H        ASN  83 -12.934   1.445   2.471
  628    HA   ASN  83           HA       ASN  83 -15.849   1.711   2.351
  629    HB2  ASN  83           HB2      ASN  83 -15.246   0.199   4.347
  630    HB3  ASN  83           HB3      ASN  83 -14.461   1.609   5.063
  631   HD21  ASN  83          HD21      ASN  83 -15.788   3.369   5.841
  632   HD22  ASN  83          HD22      ASN  83 -17.514   3.149   6.029
  633    H    LEU  84           H        LEU  84 -16.542   3.870   3.228
  634    HA   LEU  84           HA       LEU  84 -14.668   5.943   2.615
  635    HB2  LEU  84           HB2      LEU  84 -17.442   5.767   3.132
  636    HB3  LEU  84           HB3      LEU  84 -16.793   6.731   4.466
  637    HG   LEU  84           HG       LEU  84 -15.502   8.010   2.516
  638   HD11  LEU  84          HD11      LEU  84 -17.894   6.806   1.079
  639   HD12  LEU  84          HD12      LEU  84 -16.871   8.128   0.465
  640   HD13  LEU  84          HD13      LEU  84 -16.175   6.517   0.704
  641   HD21  LEU  84          HD21      LEU  84 -17.461   9.537   2.340
  642   HD22  LEU  84          HD22      LEU  84 -17.143   9.032   4.012
  643   HD23  LEU  84          HD23      LEU  84 -18.473   8.281   3.105
  644    H    ALA  85           H        ALA  85 -13.804   7.549   4.224
  645    HA   ALA  85           HA       ALA  85 -12.541   6.018   6.349
  646    HB1  ALA  85           HB1      ALA  85 -12.271   8.920   5.516
  647    HB2  ALA  85           HB2      ALA  85 -11.178   8.040   6.619
  648    HB3  ALA  85           HB3      ALA  85 -11.289   7.553   4.910
  649    H    ALA  86           H        ALA  86 -15.473   7.649   6.279
  650    HA   ALA  86           HA       ALA  86 -15.308   8.135   9.212
  651    HB1  ALA  86           HB1      ALA  86 -16.649   9.915   7.145
  652    HB2  ALA  86           HB2      ALA  86 -16.711  10.141   8.907
  653    HB3  ALA  86           HB3      ALA  86 -15.153  10.273   8.059
  654    H    GLU  87           H        GLU  87 -16.485   5.999   7.210
  655    HA   GLU  87           HA       GLU  87 -19.141   5.913   8.549
  656    HB2  GLU  87           HB2      GLU  87 -18.665   5.357   5.601
  657    HB3  GLU  87           HB3      GLU  87 -20.206   5.204   6.480
  658    HG2  GLU  87           HG2      GLU  87 -20.027   7.657   7.063
  659    HG3  GLU  87           HG3      GLU  87 -18.632   7.753   5.978
  660    HA   PRO  88           HA       PRO  88 -16.680   1.851   8.444
  661    HB2  PRO  88           HB2      PRO  88 -16.143   1.553  11.120
  662    HB3  PRO  88           HB3      PRO  88 -15.060   2.425   9.988
  663    HG2  PRO  88           HG2      PRO  88 -17.169   3.593  11.836
  664    HG3  PRO  88           HG3      PRO  88 -15.469   4.133  11.618
  665    HD2  PRO  88           HD2      PRO  88 -17.513   5.363  10.333
  666    HD3  PRO  88           HD3      PRO  88 -15.947   5.080   9.505
  667    H    LYS  89           H        LYS  89 -17.652  -0.086   8.790
  668    HA   LYS  89           HA       LYS  89 -19.982  -0.269  10.621
  669    HB2  LYS  89           HB2      LYS  89 -19.933  -1.144   7.703
  670    HB3  LYS  89           HB3      LYS  89 -21.241  -1.478   8.855
  671    HG2  LYS  89           HG2      LYS  89 -21.643   0.949   9.125
  672    HG3  LYS  89           HG3      LYS  89 -20.323   1.297   7.982
  673    HD2  LYS  89           HD2      LYS  89 -21.489   0.034   6.219
  674    HD3  LYS  89           HD3      LYS  89 -22.828  -0.303   7.339
  675    HE2  LYS  89           HE2      LYS  89 -23.235   2.125   7.598
  676    HE3  LYS  89           HE3      LYS  89 -21.898   2.469   6.481
  677    HZ1  LYS  89           HZ1      LYS  89 -24.358   0.987   5.812
  678    HZ2  LYS  89           HZ2      LYS  89 -24.018   2.529   5.370
  679    HZ3  LYS  89           HZ3      LYS  89 -23.117   1.288   4.778
  680    H    VAL  90           H        VAL  90 -17.006  -1.373   9.837
  681    HA   VAL  90           HA       VAL  90 -17.627  -4.247  10.250
  682    HB   VAL  90           HB       VAL  90 -16.310  -3.543   8.259
  683   HG11  VAL  90          HG11      VAL  90 -14.179  -2.799  10.304
  684   HG12  VAL  90          HG12      VAL  90 -13.969  -2.857   8.541
  685   HG13  VAL  90          HG13      VAL  90 -15.064  -1.659   9.264
  686   HG21  VAL  90          HG21      VAL  90 -16.101  -5.815   9.232
  687   HG22  VAL  90          HG22      VAL  90 -14.615  -5.261   8.449
  688   HG23  VAL  90          HG23      VAL  90 -14.732  -5.253  10.224
  689    H    ASN  91           H        ASN  91 -16.389  -5.482  11.750
  690    HA   ASN  91           HA       ASN  91 -16.065  -4.031  14.257
  691    HB2  ASN  91           HB2      ASN  91 -15.644  -6.993  13.759
  692    HB3  ASN  91           HB3      ASN  91 -16.073  -6.200  15.280
  693   HD21  ASN  91          HD21      ASN  91 -17.213  -7.224  12.097
  694   HD22  ASN  91          HD22      ASN  91 -18.928  -7.102  12.455
  695    H    ARG  92           H        ARG  92 -14.049  -4.374  11.757
  696    HA   ARG  92           HA       ARG  92 -11.844  -4.679  11.374
  697    HB2  ARG  92           HB2      ARG  92 -11.760  -3.169  14.015
  698    HB3  ARG  92           HB3      ARG  92 -10.336  -3.445  12.998
  699    HG2  ARG  92           HG2      ARG  92 -11.580  -2.416  11.066
  700    HG3  ARG  92           HG3      ARG  92 -12.881  -1.980  12.197
  701    HD2  ARG  92           HD2      ARG  92  -9.967  -1.099  12.364
  702    HD3  ARG  92           HD3      ARG  92 -11.309  -0.090  11.814
  703    HE   ARG  92           HE       ARG  92 -12.283  -0.289  14.096
  704   HH11  ARG  92          HH11      ARG  92  -8.802  -0.915  13.692
  705   HH12  ARG  92          HH12      ARG  92  -8.446  -0.526  15.354
  706   HH21  ARG  92          HH21      ARG  92 -11.753   0.196  16.249
  707   HH22  ARG  92          HH22      ARG  92 -10.091   0.087  16.785
  708    H    GLY  93           H        GLY  93 -12.752  -7.019  11.964
  709    HA2  GLY  93           HA2      GLY  93 -11.583  -8.281  14.260
  710    HA3  GLY  93           HA3      GLY  93 -12.367  -9.076  12.873
  711    H    LYS  94           H        LYS  94  -9.971  -7.106  11.624
  712    HA   LYS  94           HA       LYS  94  -8.003  -7.504  10.615
  713    HB2  LYS  94           HB2      LYS  94  -7.382  -9.068  13.125
  714    HB3  LYS  94           HB3      LYS  94  -6.208  -8.367  11.981
  715    HG2  LYS  94           HG2      LYS  94  -7.229  -6.101  12.467
  716    HG3  LYS  94           HG3      LYS  94  -8.176  -6.860  13.757
  717    HD2  LYS  94           HD2      LYS  94  -5.139  -6.821  13.569
  718    HD3  LYS  94           HD3      LYS  94  -6.125  -5.836  14.659
  719    HE2  LYS  94           HE2      LYS  94  -6.024  -8.883  14.645
  720    HE3  LYS  94           HE3      LYS  94  -5.136  -7.842  15.770
  721    HZ1  LYS  94           HZ1      LYS  94  -8.069  -7.964  15.530
  722    HZ2  LYS  94           HZ2      LYS  94  -7.175  -8.627  16.736
  723    HZ3  LYS  94           HZ3      LYS  94  -7.231  -6.994  16.561
  724    H    ALA  95           H        ALA  95 -10.207  -9.740  10.418
  725    HA   ALA  95           HA       ALA  95  -8.524 -11.435   8.699
  726    HB1  ALA  95           HB1      ALA  95  -8.354 -12.523  10.918
  727    HB2  ALA  95           HB2      ALA  95 -10.126 -12.576  11.025
  728    HB3  ALA  95           HB3      ALA  95  -9.279 -13.524   9.779
  729    H    GLY  96           H        GLY  96 -11.625 -10.139   9.697
  730    HA2  GLY  96           HA2      GLY  96 -13.539  -9.905   8.457
  731    HA3  GLY  96           HA3      GLY  96 -12.794 -10.835   7.135
  732    H    VAL  97           H        VAL  97 -12.384 -12.584   9.956
  733    HA   VAL  97           HA       VAL  97 -14.541 -14.442   9.214
  734    HB   VAL  97           HB       VAL  97 -12.240 -14.649  11.201
  735   HG11  VAL  97          HG11      VAL  97 -14.194 -16.748  10.180
  736   HG12  VAL  97          HG12      VAL  97 -12.732 -17.093  11.129
  737   HG13  VAL  97          HG13      VAL  97 -14.045 -16.155  11.857
  738   HG21  VAL  97          HG21      VAL  97 -11.498 -14.506   8.853
  739   HG22  VAL  97          HG22      VAL  97 -11.259 -16.147   9.483
  740   HG23  VAL  97          HG23      VAL  97 -12.633 -15.801   8.403
  741    H    LYS  98           H        LYS  98 -13.859 -12.015  11.591
  742    HA   LYS  98           HA       LYS  98 -15.579 -13.023  13.672
  743    HB2  LYS  98           HB2      LYS  98 -14.648 -10.194  13.065
  744    HB3  LYS  98           HB3      LYS  98 -15.395 -10.729  14.576
  745    HG2  LYS  98           HG2      LYS  98 -12.722 -11.669  13.443
  746    HG3  LYS  98           HG3      LYS  98 -12.958 -10.583  14.811
  747    HD2  LYS  98           HD2      LYS  98 -13.778 -13.518  14.686
  748    HD3  LYS  98           HD3      LYS  98 -12.408 -12.838  15.581
  749    HE2  LYS  98           HE2      LYS  98 -13.967 -11.470  16.937
  750    HE3  LYS  98           HE3      LYS  98 -15.343 -12.177  16.075
  751    HZ1  LYS  98           HZ1      LYS  98 -14.657 -14.334  16.892
  752    HZ2  LYS  98           HZ2      LYS  98 -13.399 -13.665  17.706
  753    HZ3  LYS  98           HZ3      LYS  98 -14.944 -13.303  18.139
  754    H    ARG  99           H        ARG  99 -17.635 -12.299  14.300
  755    HA   ARG  99           HA       ARG  99 -19.330 -11.292  12.059
  756    HB2  ARG  99           HB2      ARG  99 -19.668 -13.362  14.179
  757    HB3  ARG  99           HB3      ARG  99 -21.072 -12.339  13.877
  758    HG2  ARG  99           HG2      ARG  99 -21.207 -14.327  12.503
  759    HG3  ARG  99           HG3      ARG  99 -21.024 -12.892  11.486
  760    HD2  ARG  99           HD2      ARG  99 -18.637 -13.390  11.173
  761    HD3  ARG  99           HD3      ARG  99 -18.784 -14.799  12.255
  762    HE   ARG  99           HE       ARG  99 -20.703 -14.937  10.118
  763   HH11  ARG  99          HH11      ARG  99 -17.255 -15.405  10.764
  764   HH12  ARG  99          HH12      ARG  99 -17.064 -16.577   9.482
  765   HH21  ARG  99          HH21      ARG  99 -20.410 -16.439   8.443
  766   HH22  ARG  99          HH22      ARG  99 -18.838 -17.148   8.165
  767    H    SER 100           H        SER 100 -21.053  -9.856  12.555
  768    HA   SER 100           HA       SER 100 -20.357  -7.899  14.626
  769    HB2  SER 100           HB2      SER 100 -22.632  -7.977  12.616
  770    HB3  SER 100           HB3      SER 100 -22.175  -6.587  13.623
  771    HG   SER 100           HG       SER 100 -21.269  -6.513  11.501
  772    H    ALA 101           H        ALA 101 -21.974  -7.151  16.213
  773    HA   ALA 101           HA       ALA 101 -22.976  -9.363  17.696
  774    HB1  ALA 101           HB1      ALA 101 -23.528  -6.384  17.988
  775    HB2  ALA 101           HB2      ALA 101 -23.810  -7.627  19.228
  776    HB3  ALA 101           HB3      ALA 101 -22.154  -7.260  18.694
  777    H    ALA 102           H        ALA 102 -24.363  -7.898  14.982
  778    HA   ALA 102           HA       ALA 102 -27.119  -8.665  15.828
  779    HB1  ALA 102           HB1      ALA 102 -26.123  -6.870  13.584
  780    HB2  ALA 102           HB2      ALA 102 -27.833  -7.207  13.963
  781    HB3  ALA 102           HB3      ALA 102 -26.819  -6.318  15.128
  782    H    GLU 103           H        GLU 103 -24.451  -9.801  14.173
  783    HA   GLU 103           HA       GLU 103 -26.090 -11.468  12.322
  784    HB2  GLU 103           HB2      GLU 103 -23.289 -10.366  11.908
  785    HB3  GLU 103           HB3      GLU 103 -24.158 -11.427  10.783
  786    HG2  GLU 103           HG2      GLU 103 -25.031  -8.636  11.640
  787    HG3  GLU 103           HG3      GLU 103 -24.258  -9.043  10.104
  788    H    MET 104           H        MET 104 -24.814 -11.714  15.184
  789    HA   MET 104           HA       MET 104 -22.742 -13.656  15.029
  790    HB2  MET 104           HB2      MET 104 -24.834 -13.103  17.177
  791    HB3  MET 104           HB3      MET 104 -23.476 -14.214  17.389
  792    HG2  MET 104           HG2      MET 104 -23.363 -11.229  16.905
  793    HG3  MET 104           HG3      MET 104 -22.926 -12.099  18.373
  794    HE1  MET 104           HE1      MET 104 -20.970 -14.047  18.295
  795    HE2  MET 104           HE2      MET 104 -21.402 -14.629  16.668
  796    HE3  MET 104           HE3      MET 104 -19.733 -14.113  17.014
  797    H    TYR 105           H        TYR 105 -26.197 -13.976  14.545
  798    HA   TYR 105           HA       TYR 105 -25.818 -16.897  14.136
  799    HB2  TYR 105           HB2      TYR 105 -28.086 -15.599  15.690
  800    HB3  TYR 105           HB3      TYR 105 -27.980 -17.307  15.263
  801    HD1  TYR 105           HD2      TYR 105 -26.616 -14.615  17.370
  802    HD2  TYR 105           HD1      TYR 105 -26.472 -18.809  16.454
  803    HE1  TYR 105           HE2      TYR 105 -25.358 -15.024  19.482
  804    HE2  TYR 105           HE1      TYR 105 -25.203 -19.234  18.553
  805    HH   TYR 105           HH       TYR 105 -24.286 -18.309  20.429
  806    H    GLY 106           H        GLY 106 -26.885 -13.914  12.974
  807    HA2  GLY 106           HA2      GLY 106 -27.960 -13.315  11.044
  808    HA3  GLY 106           HA3      GLY 106 -27.927 -15.019  10.552
  809    H5'    A   1           H5'        A   1   1.984 -12.235   8.149
  810   H5''    A   1          H5''        A   1   3.411 -12.083   7.104
  811    H4'    A   1           H4'        A   1   3.471 -12.141  10.168
  812    H3'    A   1           H3'        A   1   2.451 -10.075   8.857
  813    H2'    A   1           H2'        A   1   3.981  -9.754   7.227
  814   HO2'    A   1          HO2'        A   1   5.236  -8.538   9.497
  815    H1'    A   1           H1'        A   1   6.500 -10.313   8.513
  816    H8     A   1           H8         A   1   5.790  -9.435   5.649
  817    H61    A   1           H61        A   1   6.843 -14.754   2.629
  818    H62    A   1           H62        A   1   6.638 -13.021   2.448
  819    H2     A   1           H2         A   1   6.374 -15.738   6.852
  820    H5'    U   2           H5'        U   2  -0.180  -9.456  10.640
  821   H5''    U   2          H5''        U   2   0.924  -9.099   9.305
  822    H4'    U   2           H4'        U   2  -0.644  -6.994  10.858
  823    H3'    U   2           H3'        U   2  -1.810  -8.768   9.154
  824    H2'    U   2           H2'        U   2  -0.016  -8.599   7.525
  825   HO2'    U   2          HO2'        U   2  -1.008  -7.609   5.727
  826    H1'    U   2           H1'        U   2  -0.399  -5.612   7.674
  827    H3     U   2           H3         U   2   2.892  -4.566   4.770
  828    H5     U   2           H5         U   2   4.215  -8.170   6.467
  829    H6     U   2           H6         U   2   2.218  -8.231   7.800
  830    H5'    U   3           H5'        U   3  -6.266  -6.071   9.481
  831   H5''    U   3          H5''        U   3  -5.150  -5.787   8.128
  832    H4'    U   3           H4'        U   3  -5.233  -3.355   8.541
  833    H3'    U   3           H3'        U   3  -5.937  -3.857  11.116
  834    H2'    U   3           H2'        U   3  -7.957  -4.979  10.522
  835   HO2'    U   3          HO2'        U   3  -8.285  -2.540  11.591
  836    H1'    U   3           H1'        U   3  -8.596  -2.712   8.633
  837    H3     U   3           H3         U   3 -12.474  -4.585   7.274
  838    H5     U   3           H5         U   3 -10.222  -7.908   8.526
  839    H6     U   3           H6         U   3  -8.374  -6.391   8.988
  840    H5'    U   4           H5'        U   4  -8.119   0.931  11.412
  841   H5''    U   4          H5''        U   4  -7.493   0.712   9.765
  842    H4'    U   4           H4'        U   4  -5.934   2.777  10.384
  843    H3'    U   4           H3'        U   4  -7.138   2.633  12.850
  844    H2'    U   4           H2'        U   4  -9.363   2.708  11.969
  845   HO2'    U   4          HO2'        U   4  -9.119   4.376  13.562
  846    H1'    U   4           H1'        U   4  -8.413   5.016  10.238
  847    H3     U   4           H3         U   4 -12.449   5.798   8.470
  848    H5     U   4           H5         U   4 -12.593   1.673   9.293
  849    H6     U   4           H6         U   4 -10.331   1.830  10.165
  850    H5'    U   5           H5'        U   5  -4.215   3.734  10.538
  851   H5''    U   5          H5''        U   5  -2.860   3.676  11.678
  852    H4'    U   5           H4'        U   5  -1.866   4.380   9.715
  853    H3'    U   5           H3'        U   5  -1.798   6.174  11.775
  854    H2'    U   5           H2'        U   5  -3.730   7.396  11.133
  855   HO2'    U   5          HO2'        U   5  -1.543   8.700  10.821
  856    H1'    U   5           H1'        U   5  -2.857   7.384   8.253
  857    H3     U   5           H3         U   5  -6.698   9.202   6.861
  858    H5     U   5           H5         U   5  -7.892   7.020  10.265
  859    H6     U   5           H6         U   5  -5.588   6.318  10.531
  860    H5'    U   6           H5'        U   6   1.371   5.473   8.764
  861   H5''    U   6          H5''        U   6   2.793   5.672   9.798
  862    H4'    U   6           H4'        U   6   3.394   5.454   7.421
  863    H3'    U   6           H3'        U   6   4.522   7.250   9.152
  864    H2'    U   6           H2'        U   6   3.095   9.069   8.626
  865   HO2'    U   6          HO2'        U   6   5.273   9.165   6.798
  866    H1'    U   6           H1'        U   6   3.223   8.494   5.668
  867    H3     U   6           H3         U   6   0.867  12.419   5.830
  868    H5     U   6           H5         U   6  -1.635   9.524   7.570
  869    H6     U   6           H6         U   6   0.232   8.007   7.595
  870    H5'    C   7           H5'        C   7   5.615   3.027   8.257
  871   H5''    C   7          H5''        C   7   6.664   2.925   6.828
  872    H4'    C   7           H4'        C   7   3.632   2.605   6.715
  873    H3'    C   7           H3'        C   7   5.735   0.736   7.594
  874    H2'    C   7           H2'        C   7   5.496  -0.916   5.918
  875   HO2'    C   7          HO2'        C   7   3.703  -0.958   4.537
  876    H1'    C   7           H1'        C   7   5.244   0.663   3.774
  877    H41    C   7           H41        C   7  11.348   2.484   4.412
  878    H42    C   7           H42        C   7  11.528   1.290   5.686
  879    H5     C   7           H5         C   7   9.643   0.008   6.563
  880    H6     C   7           H6         C   7   7.271  -0.333   6.432
  Start of MODEL   20
    1    H1   ALA   2           H        ALA   2   2.075  12.629  -6.512
    2    H2   ALA   2           H2       ALA   2   1.705  11.069  -6.106
    3    HA   ALA   2           HA       ALA   2   0.009  13.418  -5.646
    4    HB1  ALA   2           HB1      ALA   2  -1.321  11.388  -6.115
    5    HB2  ALA   2           HB2      ALA   2  -0.416  10.500  -4.871
    6    HB3  ALA   2           HB3      ALA   2  -1.464  11.857  -4.413
    7    H    SER   3           H        SER   3  -0.444  13.620  -3.213
    8    HA   SER   3           HA       SER   3   2.098  13.968  -1.908
    9    HB2  SER   3           HB2      SER   3   0.138  15.496  -1.720
   10    HB3  SER   3           HB3      SER   3  -0.707  14.253  -0.770
   11    HG   SER   3           HG       SER   3   0.449  15.826   0.491
   12    H    ASN   4           H        ASN   4   2.101  13.344   0.583
   13    HA   ASN   4           HA       ASN   4   1.681  10.401   0.719
   14    HB2  ASN   4           HB2      ASN   4   4.073  11.273   0.509
   15    HB3  ASN   4           HB3      ASN   4   3.855  12.016   2.099
   16   HD21  ASN   4          HD21      ASN   4   5.523  10.721   3.014
   17   HD22  ASN   4          HD22      ASN   4   5.276   9.014   3.338
   18    H    VAL   5           H        VAL   5  -0.094  12.763   1.625
   19    HA   VAL   5           HA       VAL   5  -0.263  11.946   4.478
   20    HB   VAL   5           HB       VAL   5   0.706  14.249   4.059
   21   HG11  VAL   5          HG11      VAL   5  -2.158  14.934   3.287
   22   HG12  VAL   5          HG12      VAL   5  -0.794  16.057   3.456
   23   HG13  VAL   5          HG13      VAL   5  -0.786  14.850   2.151
   24   HG21  VAL   5          HG21      VAL   5  -1.872  13.983   5.641
   25   HG22  VAL   5          HG22      VAL   5  -0.224  13.638   6.208
   26   HG23  VAL   5          HG23      VAL   5  -0.692  15.304   5.823
   27    H    THR   6           H        THR   6  -2.170  11.342   5.226
   28    HA   THR   6           HA       THR   6  -4.604  11.775   3.639
   29    HB   THR   6           HB       THR   6  -5.123   9.382   3.497
   30    HG1  THR   6           HG1      THR   6  -3.882   8.673   5.274
   31   HG21  THR   6          HG21      THR   6  -2.324   9.799   2.390
   32   HG22  THR   6          HG22      THR   6  -3.565   8.678   1.805
   33   HG23  THR   6          HG23      THR   6  -3.811  10.423   1.614
   34    H    ASN   7           H        ASN   7  -3.419  12.298   6.521
   35    HA   ASN   7           HA       ASN   7  -5.556  10.845   7.985
   36    HB2  ASN   7           HB2      ASN   7  -4.208  10.685   9.882
   37    HB3  ASN   7           HB3      ASN   7  -3.204  10.232   8.516
   38   HD21  ASN   7          HD21      ASN   7  -1.674  10.686  10.472
   39   HD22  ASN   7          HD22      ASN   7  -0.992  12.302  10.530
   40    H    LYS   8           H        LYS   8  -5.583  13.651   6.640
   41    HA   LYS   8           HA       LYS   8  -5.966  15.558   8.749
   42    HB2  LYS   8           HB2      LYS   8  -6.836  15.331   5.862
   43    HB3  LYS   8           HB3      LYS   8  -7.517  16.591   6.892
   44    HG2  LYS   8           HG2      LYS   8  -5.639  17.429   5.603
   45    HG3  LYS   8           HG3      LYS   8  -5.338  17.550   7.335
   46    HD2  LYS   8           HD2      LYS   8  -4.307  15.175   5.763
   47    HD3  LYS   8           HD3      LYS   8  -3.449  16.720   5.707
   48    HE2  LYS   8           HE2      LYS   8  -4.091  15.220   8.279
   49    HE3  LYS   8           HE3      LYS   8  -2.541  15.169   7.429
   50    HZ1  LYS   8           HZ1      LYS   8  -3.789  17.586   8.548
   51    HZ2  LYS   8           HZ2      LYS   8  -2.512  16.773   9.189
   52    HZ3  LYS   8           HZ3      LYS   8  -2.358  17.540   7.747
   53    H    THR   9           H        THR   9  -8.144  16.579   9.237
   54    HA   THR   9           HA       THR   9 -10.205  14.449   9.543
   55    HB   THR   9           HB       THR   9 -10.593  15.249  11.863
   56    HG1  THR   9           HG1      THR   9  -8.976  16.535  12.784
   57   HG21  THR   9          HG21      THR   9  -8.640  14.145  12.851
   58   HG22  THR   9          HG22      THR   9  -9.162  13.261  11.404
   59   HG23  THR   9          HG23      THR   9  -7.735  14.320  11.334
   60    H    ASP  10           H        ASP  10  -9.893  16.897   7.733
   61    HA   ASP  10           HA       ASP  10 -11.792  18.838   8.631
   62    HB2  ASP  10           HB2      ASP  10 -10.743  18.118   5.873
   63    HB3  ASP  10           HB3      ASP  10 -11.756  19.522   6.215
   64    HA   PRO  11           HA       PRO  11 -15.614  16.921   8.017
   65    HB2  PRO  11           HB2      PRO  11 -17.231  18.947   7.103
   66    HB3  PRO  11           HB3      PRO  11 -16.574  18.877   8.777
   67    HG2  PRO  11           HG2      PRO  11 -15.459  20.381   6.388
   68    HG3  PRO  11           HG3      PRO  11 -15.775  21.015   8.043
   69    HD2  PRO  11           HD2      PRO  11 -13.302  20.194   7.311
   70    HD3  PRO  11           HD3      PRO  11 -13.932  19.785   8.937
   71    H    ARG  12           H        ARG  12 -13.907  18.019   5.258
   72    HA   ARG  12           HA       ARG  12 -15.766  16.443   3.537
   73    HB2  ARG  12           HB2      ARG  12 -15.294  17.880   1.675
   74    HB3  ARG  12           HB3      ARG  12 -15.864  18.838   3.044
   75    HG2  ARG  12           HG2      ARG  12 -14.127  20.121   2.224
   76    HG3  ARG  12           HG3      ARG  12 -13.336  19.246   3.548
   77    HD2  ARG  12           HD2      ARG  12 -12.376  17.651   1.907
   78    HD3  ARG  12           HD3      ARG  12 -13.263  18.455   0.601
   79    HE   ARG  12           HE       ARG  12 -11.576  20.293   2.080
   80   HH11  ARG  12          HH11      ARG  12 -11.570  17.845  -0.472
   81   HH12  ARG  12          HH12      ARG  12 -10.135  18.471  -1.239
   82   HH21  ARG  12          HH21      ARG  12  -9.697  21.090   1.064
   83   HH22  ARG  12          HH22      ARG  12  -9.074  20.310  -0.369
   84    H    SER  13           H        SER  13 -12.705  16.578   4.931
   85    HA   SER  13           HA       SER  13 -11.444  14.987   2.778
   86    HB2  SER  13           HB2      SER  13 -10.305  16.021   5.394
   87    HB3  SER  13           HB3      SER  13  -9.403  15.208   4.097
   88    HG   SER  13           HG       SER  13  -9.291  17.496   3.936
   89    H    MET  14           H        MET  14 -13.080  14.627   5.822
   90    HA   MET  14           HA       MET  14 -12.074  11.981   6.447
   91    HB2  MET  14           HB2      MET  14 -14.368  13.735   7.365
   92    HB3  MET  14           HB3      MET  14 -14.251  12.060   7.921
   93    HG2  MET  14           HG2      MET  14 -11.741  13.649   8.097
   94    HG3  MET  14           HG3      MET  14 -13.056  14.178   9.146
   95    HE1  MET  14           HE1      MET  14 -12.727  10.362   8.139
   96    HE2  MET  14           HE2      MET  14 -11.041  10.933   8.035
   97    HE3  MET  14           HE3      MET  14 -11.524   9.788   9.309
   98    H    ASN  15           H        ASN  15 -14.185  13.163   4.035
   99    HA   ASN  15           HA       ASN  15 -15.316  10.435   3.681
  100    HB2  ASN  15           HB2      ASN  15 -17.326  11.755   2.659
  101    HB3  ASN  15           HB3      ASN  15 -17.181  11.580   4.414
  102   HD21  ASN  15          HD21      ASN  15 -16.705  13.363   5.710
  103   HD22  ASN  15          HD22      ASN  15 -16.772  14.999   5.097
  104    H    SER  16           H        SER  16 -13.285  12.780   2.374
  105    HA   SER  16           HA       SER  16 -13.759  11.818  -0.387
  106    HB2  SER  16           HB2      SER  16 -12.259  13.559  -1.082
  107    HB3  SER  16           HB3      SER  16 -13.415  14.280   0.065
  108    HG   SER  16           HG       SER  16 -11.219  14.846   0.470
  109    H    ARG  17           H        ARG  17 -12.569  10.440   2.144
  110    HA   ARG  17           HA       ARG  17  -9.945   9.591   1.005
  111    HB2  ARG  17           HB2      ARG  17  -9.938  10.802   3.129
  112    HB3  ARG  17           HB3      ARG  17 -11.013   9.588   3.839
  113    HG2  ARG  17           HG2      ARG  17  -9.282   7.840   3.519
  114    HG3  ARG  17           HG3      ARG  17  -8.215   9.045   2.745
  115    HD2  ARG  17           HD2      ARG  17  -9.266   9.109   5.599
  116    HD3  ARG  17           HD3      ARG  17  -7.592   8.804   5.098
  117    HE   ARG  17           HE       ARG  17  -7.984  11.197   3.957
  118   HH11  ARG  17          HH11      ARG  17  -8.793  10.131   7.239
  119   HH12  ARG  17          HH12      ARG  17  -8.725  11.763   7.873
  120   HH21  ARG  17          HH21      ARG  17  -7.929  13.242   4.801
  121   HH22  ARG  17          HH22      ARG  17  -8.232  13.510   6.514
  122    H    VAL  18           H        VAL  18  -9.415   7.374   1.085
  123    HA   VAL  18           HA       VAL  18 -11.741   5.515   1.388
  124    HB   VAL  18           HB       VAL  18  -9.350   5.226  -0.469
  125   HG11  VAL  18          HG11      VAL  18 -10.318   3.087   0.222
  126   HG12  VAL  18          HG12      VAL  18 -11.950   3.666  -0.201
  127   HG13  VAL  18          HG13      VAL  18 -10.718   3.422  -1.467
  128   HG21  VAL  18          HG21      VAL  18 -10.934   5.628  -2.298
  129   HG22  VAL  18          HG22      VAL  18 -12.204   6.057  -1.120
  130   HG23  VAL  18          HG23      VAL  18 -10.741   7.067  -1.280
  131    H    PHE  19           H        PHE  19 -11.492   3.982   2.888
  132    HA   PHE  19           HA       PHE  19  -8.785   3.408   3.958
  133    HB2  PHE  19           HB2      PHE  19 -10.455   3.791   5.645
  134    HB3  PHE  19           HB3      PHE  19 -11.595   2.702   4.847
  135    HD1  PHE  19           HD2      PHE  19  -8.153   2.670   6.381
  136    HD2  PHE  19           HD1      PHE  19 -11.769   0.495   5.547
  137    HE1  PHE  19           HE2      PHE  19  -7.307   0.754   7.701
  138    HE2  PHE  19           HE1      PHE  19 -10.920  -1.426   6.856
  139    HZ   PHE  19           HZ       PHE  19  -8.688  -1.300   7.935
  140    H    ILE  20           H        ILE  20  -7.814   1.418   3.682
  141    HA   ILE  20           HA       ILE  20  -9.271  -0.589   2.028
  142    HB   ILE  20           HB       ILE  20  -6.406   0.318   1.594
  143   HG12  ILE  20          HG12      ILE  20  -8.808   0.814  -0.210
  144   HG13  ILE  20          HG13      ILE  20  -8.173   2.024   0.923
  145   HG21  ILE  20          HG21      ILE  20  -6.532  -1.140  -0.402
  146   HG22  ILE  20          HG22      ILE  20  -6.906  -2.080   1.048
  147   HG23  ILE  20          HG23      ILE  20  -8.220  -1.550  -0.015
  148   HD11  ILE  20          HD11      ILE  20  -6.582   0.750  -1.329
  149   HD12  ILE  20          HD12      ILE  20  -7.260   2.388  -1.315
  150   HD13  ILE  20          HD13      ILE  20  -5.981   1.952  -0.156
  151    H    GLY  21           H        GLY  21  -9.604  -1.633   4.057
  152    HA2  GLY  21           HA2      GLY  21  -7.266  -2.550   5.581
  153    HA3  GLY  21           HA3      GLY  21  -8.962  -2.873   5.945
  154    H    ASN  22           H        ASN  22  -7.301  -4.909   6.252
  155    HA   ASN  22           HA       ASN  22  -6.760  -6.965   5.731
  156    HB2  ASN  22           HB2      ASN  22  -9.236  -7.134   5.745
  157    HB3  ASN  22           HB3      ASN  22  -9.241  -6.958   3.988
  158   HD21  ASN  22          HD21      ASN  22 -10.346  -9.097   4.061
  159   HD22  ASN  22          HD22      ASN  22  -9.345 -10.536   4.123
  160    H    LEU  23           H        LEU  23  -5.588  -4.878   3.981
  161    HA   LEU  23           HA       LEU  23  -5.668  -5.755   1.254
  162    HB2  LEU  23           HB2      LEU  23  -5.318  -3.436   1.975
  163    HB3  LEU  23           HB3      LEU  23  -3.777  -3.876   2.718
  164    HG   LEU  23           HG       LEU  23  -2.869  -4.488   0.496
  165   HD11  LEU  23          HD11      LEU  23  -4.122  -3.914  -1.542
  166   HD12  LEU  23          HD12      LEU  23  -4.994  -5.147  -0.619
  167   HD13  LEU  23          HD13      LEU  23  -5.532  -3.446  -0.565
  168   HD21  LEU  23          HD21      LEU  23  -4.166  -1.737   0.639
  169   HD22  LEU  23          HD22      LEU  23  -2.830  -2.190  -0.444
  170   HD23  LEU  23          HD23      LEU  23  -2.585  -2.201   1.321
  171    H    ASN  24           H        ASN  24  -3.994  -6.580  -0.045
  172    HA   ASN  24           HA       ASN  24  -2.469  -8.744   1.087
  173    HB2  ASN  24           HB2      ASN  24  -1.812  -9.046  -1.281
  174    HB3  ASN  24           HB3      ASN  24  -3.569  -8.955  -1.060
  175   HD21  ASN  24          HD21      ASN  24  -0.749  -7.370  -2.418
  176   HD22  ASN  24          HD22      ASN  24  -1.637  -6.135  -3.304
  177    H    THR  25           H        THR  25  -1.481  -6.624   2.459
  178    HA   THR  25           HA       THR  25   0.406  -4.999   1.109
  179    HB   THR  25           HB       THR  25   1.058  -4.288   3.361
  180    HG1  THR  25           HG1      THR  25   1.079  -6.320   4.359
  181   HG21  THR  25          HG21      THR  25  -1.924  -4.923   3.309
  182   HG22  THR  25          HG22      THR  25  -1.138  -3.561   4.127
  183   HG23  THR  25          HG23      THR  25  -1.175  -3.611   2.353
  184    H    LEU  26           H        LEU  26   0.722  -8.271   1.582
  185    HA   LEU  26           HA       LEU  26   3.583  -8.239   2.230
  186    HB2  LEU  26           HB2      LEU  26   2.004 -10.567   1.108
  187    HB3  LEU  26           HB3      LEU  26   3.479 -10.593   2.082
  188    HG   LEU  26           HG       LEU  26   0.651  -9.924   2.959
  189   HD11  LEU  26          HD11      LEU  26   2.710 -11.991   3.843
  190   HD12  LEU  26          HD12      LEU  26   1.065 -11.823   4.495
  191   HD13  LEU  26          HD13      LEU  26   1.297 -12.297   2.799
  192   HD21  LEU  26          HD21      LEU  26   3.220  -9.657   4.586
  193   HD22  LEU  26          HD22      LEU  26   1.552  -9.511   5.215
  194   HD23  LEU  26          HD23      LEU  26   2.175  -8.312   4.072
  195    H    VAL  27           H        VAL  27   1.660  -7.673  -0.510
  196    HA   VAL  27           HA       VAL  27   3.978  -8.129  -2.321
  197    HB   VAL  27           HB       VAL  27   1.064  -8.800  -2.915
  198   HG11  VAL  27          HG11      VAL  27   2.027  -9.892  -4.945
  199   HG12  VAL  27          HG12      VAL  27   2.295  -8.141  -4.940
  200   HG13  VAL  27          HG13      VAL  27   3.624  -9.246  -4.511
  201   HG21  VAL  27          HG21      VAL  27   1.996 -10.443  -1.347
  202   HG22  VAL  27          HG22      VAL  27   1.846 -11.167  -2.953
  203   HG23  VAL  27          HG23      VAL  27   3.442 -10.626  -2.375
  204    H    VAL  28           H        VAL  28   1.254  -6.138  -1.292
  205    HA   VAL  28           HA       VAL  28   1.281  -4.493  -3.671
  206    HB   VAL  28           HB       VAL  28  -0.509  -4.924  -1.644
  207   HG11  VAL  28          HG11      VAL  28   0.494  -2.091  -1.235
  208   HG12  VAL  28          HG12      VAL  28  -0.819  -2.918  -0.370
  209   HG13  VAL  28          HG13      VAL  28   0.857  -3.435  -0.124
  210   HG21  VAL  28          HG21      VAL  28  -0.962  -4.094  -3.934
  211   HG22  VAL  28          HG22      VAL  28  -1.844  -3.175  -2.696
  212   HG23  VAL  28          HG23      VAL  28  -0.392  -2.478  -3.445
  213    H    LYS  29           H        LYS  29   1.847  -2.222  -3.689
  214    HA   LYS  29           HA       LYS  29   3.689  -1.281  -1.585
  215    HB2  LYS  29           HB2      LYS  29   4.997  -0.228  -3.645
  216    HB3  LYS  29           HB3      LYS  29   5.408  -1.819  -3.013
  217    HG2  LYS  29           HG2      LYS  29   3.331  -1.713  -5.174
  218    HG3  LYS  29           HG3      LYS  29   5.003  -1.345  -5.633
  219    HD2  LYS  29           HD2      LYS  29   5.827  -3.441  -4.908
  220    HD3  LYS  29           HD3      LYS  29   4.379  -3.794  -3.955
  221    HE2  LYS  29           HE2      LYS  29   4.427  -5.135  -6.007
  222    HE3  LYS  29           HE3      LYS  29   3.038  -4.041  -5.956
  223    HZ1  LYS  29           HZ1      LYS  29   4.148  -2.580  -7.440
  224    HZ2  LYS  29           HZ2      LYS  29   5.533  -3.484  -7.425
  225    HZ3  LYS  29           HZ3      LYS  29   4.152  -4.075  -8.102
  226    H    LYS  30           H        LYS  30   4.138   1.183  -2.047
  227    HA   LYS  30           HA       LYS  30   1.598   2.477  -2.022
  228    HB2  LYS  30           HB2      LYS  30   3.583   3.425  -0.933
  229    HB3  LYS  30           HB3      LYS  30   4.369   3.643  -2.515
  230    HG2  LYS  30           HG2      LYS  30   2.659   5.198  -3.238
  231    HG3  LYS  30           HG3      LYS  30   1.670   4.843  -1.807
  232    HD2  LYS  30           HD2      LYS  30   3.382   5.843  -0.352
  233    HD3  LYS  30           HD3      LYS  30   4.420   6.160  -1.765
  234    HE2  LYS  30           HE2      LYS  30   2.671   7.583  -2.751
  235    HE3  LYS  30           HE3      LYS  30   1.597   7.243  -1.383
  236    HZ1  LYS  30           HZ1      LYS  30   2.713   9.344  -1.140
  237    HZ2  LYS  30           HZ2      LYS  30   3.179   8.317   0.055
  238    HZ3  LYS  30           HZ3      LYS  30   4.192   8.624  -1.205
  239    H    SER  31           H        SER  31   3.834   1.720  -4.632
  240    HA   SER  31           HA       SER  31   2.660   3.545  -6.548
  241    HB2  SER  31           HB2      SER  31   4.488   1.144  -6.944
  242    HB3  SER  31           HB3      SER  31   4.143   2.416  -8.137
  243    HG   SER  31           HG       SER  31   6.083   2.809  -6.974
  244    H    ASP  32           H        ASP  32   1.644   0.550  -5.242
  245    HA   ASP  32           HA       ASP  32   0.183  -0.233  -7.687
  246    HB2  ASP  32           HB2      ASP  32   0.931  -1.511  -5.078
  247    HB3  ASP  32           HB3      ASP  32  -0.551  -2.052  -5.850
  248    H    VAL  33           H        VAL  33  -0.374   1.008  -4.342
  249    HA   VAL  33           HA       VAL  33  -3.231   0.767  -4.528
  250    HB   VAL  33           HB       VAL  33  -1.497   2.593  -2.817
  251   HG11  VAL  33          HG11      VAL  33  -4.408   1.715  -2.528
  252   HG12  VAL  33          HG12      VAL  33  -3.481   2.657  -1.332
  253   HG13  VAL  33          HG13      VAL  33  -3.852   3.351  -2.925
  254   HG21  VAL  33          HG21      VAL  33  -0.998   0.194  -2.467
  255   HG22  VAL  33          HG22      VAL  33  -1.886   0.848  -1.080
  256   HG23  VAL  33          HG23      VAL  33  -2.736  -0.144  -2.287
  257    H    GLU  34           H        GLU  34  -0.903   3.341  -5.416
  258    HA   GLU  34           HA       GLU  34  -3.037   5.177  -6.144
  259    HB2  GLU  34           HB2      GLU  34  -1.255   6.632  -6.915
  260    HB3  GLU  34           HB3      GLU  34  -0.857   5.975  -5.318
  261    HG2  GLU  34           HG2      GLU  34   0.614   4.294  -6.365
  262    HG3  GLU  34           HG3      GLU  34   0.185   4.896  -7.972
  263    H    ALA  35           H        ALA  35  -2.118   2.338  -7.542
  264    HA   ALA  35           HA       ALA  35  -2.678   3.345 -10.296
  265    HB1  ALA  35           HB1      ALA  35  -1.168   0.860  -9.388
  266    HB2  ALA  35           HB2      ALA  35  -1.460   1.348 -11.074
  267    HB3  ALA  35           HB3      ALA  35  -0.435   2.349 -10.019
  268    H    ILE  36           H        ILE  36  -3.980   1.646  -7.652
  269    HA   ILE  36           HA       ILE  36  -5.819   0.069  -9.392
  270    HB   ILE  36           HB       ILE  36  -5.047  -0.151  -6.459
  271   HG12  ILE  36          HG12      ILE  36  -4.670  -2.201  -8.667
  272   HG13  ILE  36          HG13      ILE  36  -3.466  -0.941  -8.380
  273   HG21  ILE  36          HG21      ILE  36  -7.402  -0.786  -6.705
  274   HG22  ILE  36          HG22      ILE  36  -7.009  -1.794  -8.115
  275   HG23  ILE  36          HG23      ILE  36  -6.419  -2.247  -6.500
  276   HD11  ILE  36          HD11      ILE  36  -4.395  -3.037  -6.380
  277   HD12  ILE  36          HD12      ILE  36  -2.795  -2.910  -7.142
  278   HD13  ILE  36          HD13      ILE  36  -3.323  -1.668  -5.984
  279    H    PHE  37           H        PHE  37  -5.604   2.906  -7.397
  280    HA   PHE  37           HA       PHE  37  -8.589   3.037  -7.322
  281    HB2  PHE  37           HB2      PHE  37  -6.476   4.152  -5.465
  282    HB3  PHE  37           HB3      PHE  37  -8.163   4.659  -5.427
  283    HD1  PHE  37           HD2      PHE  37  -6.060   1.542  -5.268
  284    HD2  PHE  37           HD1      PHE  37  -9.703   3.522  -4.123
  285    HE1  PHE  37           HE2      PHE  37  -6.671  -0.400  -3.872
  286    HE2  PHE  37           HE1      PHE  37 -10.334   1.551  -2.741
  287    HZ   PHE  37           HZ       PHE  37  -8.800  -0.407  -2.601
  288    H    SER  38           H        SER  38  -5.813   4.357  -8.861
  289    HA   SER  38           HA       SER  38  -6.917   7.004  -9.253
  290    HB2  SER  38           HB2      SER  38  -4.521   6.542  -9.408
  291    HB3  SER  38           HB3      SER  38  -4.797   5.477 -10.801
  292    HG   SER  38           HG       SER  38  -4.182   7.595 -11.417
  293    H    LYS  39           H        LYS  39  -7.853   3.963 -10.350
  294    HA   LYS  39           HA       LYS  39  -8.818   4.687 -12.991
  295    HB2  LYS  39           HB2      LYS  39  -9.869   2.470 -12.902
  296    HB3  LYS  39           HB3      LYS  39  -8.152   2.401 -12.454
  297    HG2  LYS  39           HG2      LYS  39  -8.742   2.380 -10.073
  298    HG3  LYS  39           HG3      LYS  39 -10.464   2.524 -10.457
  299    HD2  LYS  39           HD2      LYS  39  -8.702   0.220 -11.366
  300    HD3  LYS  39           HD3      LYS  39  -9.703   0.199  -9.894
  301    HE2  LYS  39           HE2      LYS  39 -11.700   0.729 -11.337
  302    HE3  LYS  39           HE3      LYS  39 -10.675   0.479 -12.764
  303    HZ1  LYS  39           HZ1      LYS  39 -11.880  -1.504 -12.177
  304    HZ2  LYS  39           HZ2      LYS  39 -10.273  -1.764 -11.966
  305    HZ3  LYS  39           HZ3      LYS  39 -11.246  -1.505 -10.660
  306    H    TYR  40           H        TYR  40  -9.872   5.465  -9.861
  307    HA   TYR  40           HA       TYR  40 -12.694   5.737 -10.783
  308    HB2  TYR  40           HB2      TYR  40 -11.548   4.506  -8.310
  309    HB3  TYR  40           HB3      TYR  40 -13.070   5.374  -8.169
  310    HD1  TYR  40           HD2      TYR  40 -14.658   4.815 -10.413
  311    HD2  TYR  40           HD1      TYR  40 -11.884   2.195  -8.430
  312    HE1  TYR  40           HE2      TYR  40 -15.920   2.854 -11.256
  313    HE2  TYR  40           HE1      TYR  40 -13.152   0.231  -9.252
  314    HH   TYR  40           HH       TYR  40 -14.937  -0.508 -10.471
  315    H    GLY  41           H        GLY  41  -9.957   7.461  -9.829
  316    HA2  GLY  41           HA2      GLY  41 -11.375   9.893  -9.738
  317    HA3  GLY  41           HA3      GLY  41 -11.123   9.363  -8.065
  318    H    LYS  42           H        LYS  42 -10.074  11.740  -8.901
  319    HA   LYS  42           HA       LYS  42  -7.257  11.414  -9.613
  320    HB2  LYS  42           HB2      LYS  42  -8.356  13.429 -10.358
  321    HB3  LYS  42           HB3      LYS  42  -8.985  13.751  -8.730
  322    HG2  LYS  42           HG2      LYS  42  -7.084  15.230  -9.240
  323    HG3  LYS  42           HG3      LYS  42  -6.743  14.166  -7.878
  324    HD2  LYS  42           HD2      LYS  42  -5.507  12.628  -9.463
  325    HD3  LYS  42           HD3      LYS  42  -5.735  13.856 -10.732
  326    HE2  LYS  42           HE2      LYS  42  -4.605  15.524  -9.278
  327    HE3  LYS  42           HE3      LYS  42  -4.384  14.280  -8.033
  328    HZ1  LYS  42           HZ1      LYS  42  -3.236  14.186 -10.746
  329    HZ2  LYS  42           HZ2      LYS  42  -2.416  14.562  -9.375
  330    HZ3  LYS  42           HZ3      LYS  42  -3.027  13.051  -9.575
  331    H    ILE  43           H        ILE  43  -5.878  10.552  -8.172
  332    HA   ILE  43           HA       ILE  43  -6.364  10.874  -5.297
  333    HB   ILE  43           HB       ILE  43  -4.150   9.490  -6.856
  334   HG12  ILE  43          HG12      ILE  43  -6.640   8.471  -5.419
  335   HG13  ILE  43          HG13      ILE  43  -6.352   8.440  -7.170
  336   HG21  ILE  43          HG21      ILE  43  -4.838   9.442  -3.887
  337   HG22  ILE  43          HG22      ILE  43  -3.560   8.482  -4.669
  338   HG23  ILE  43          HG23      ILE  43  -3.424  10.246  -4.597
  339   HD11  ILE  43          HD11      ILE  43  -5.997   6.229  -6.236
  340   HD12  ILE  43          HD12      ILE  43  -4.439   6.888  -6.804
  341   HD13  ILE  43          HD13      ILE  43  -4.827   6.854  -5.066
  342    H    VAL  44           H        VAL  44  -5.557  12.463  -4.098
  343    HA   VAL  44           HA       VAL  44  -3.275  14.048  -5.188
  344    HB   VAL  44           HB       VAL  44  -4.200  15.905  -3.739
  345   HG11  VAL  44          HG11      VAL  44  -5.960  14.880  -5.998
  346   HG12  VAL  44          HG12      VAL  44  -5.838  16.564  -5.433
  347   HG13  VAL  44          HG13      VAL  44  -4.448  15.787  -6.212
  348   HG21  VAL  44          HG21      VAL  44  -6.571  15.815  -3.148
  349   HG22  VAL  44          HG22      VAL  44  -6.705  14.169  -3.785
  350   HG23  VAL  44          HG23      VAL  44  -5.712  14.479  -2.340
  351    H    GLY  45           H        GLY  45  -4.022  11.699  -2.989
  352    HA2  GLY  45           HA2      GLY  45  -1.476  12.059  -1.660
  353    HA3  GLY  45           HA3      GLY  45  -2.851  12.304  -0.563
  354    H    CYS  46           H        CYS  46  -0.766  10.075  -0.748
  355    HA   CYS  46           HA       CYS  46  -2.702   7.886  -0.486
  356    HB2  CYS  46           HB2      CYS  46  -2.110   7.887  -2.906
  357    HB3  CYS  46           HB3      CYS  46  -0.392   7.762  -2.481
  358    HG   CYS  46           HG       CYS  46  -2.842   5.712  -1.619
  359    H    SER  47           H        SER  47  -1.959   6.187   0.777
  360    HA   SER  47           HA       SER  47   0.836   6.101   1.667
  361    HB2  SER  47           HB2      SER  47  -0.231   7.772   3.184
  362    HB3  SER  47           HB3      SER  47  -1.462   6.564   3.612
  363    HG   SER  47           HG       SER  47   1.339   6.437   4.062
  364    H    VAL  48           H        VAL  48   1.348   4.048   2.634
  365    HA   VAL  48           HA       VAL  48  -0.853   2.110   2.889
  366    HB   VAL  48           HB       VAL  48  -0.315   1.843   0.585
  367   HG11  VAL  48          HG11      VAL  48   2.589   1.520   1.438
  368   HG12  VAL  48          HG12      VAL  48   1.947   1.217  -0.192
  369   HG13  VAL  48          HG13      VAL  48   1.909   2.861   0.479
  370   HG21  VAL  48          HG21      VAL  48   1.119  -0.381   2.089
  371   HG22  VAL  48          HG22      VAL  48  -0.647  -0.236   1.972
  372   HG23  VAL  48          HG23      VAL  48   0.328  -0.483   0.504
  373    H    HIS  49           H        HIS  49  -0.384   0.328   4.150
  374    HA   HIS  49           HA       HIS  49   2.136   0.379   5.714
  375    HB2  HIS  49           HB2      HIS  49  -0.607   0.202   6.986
  376    HB3  HIS  49           HB3      HIS  49   0.942   0.532   7.772
  377    HD2  HIS  49           HD3      HIS  49  -1.788   2.185   5.596
  378    HE1  HIS  49           HE1      HIS  49   0.544   5.355   7.187
  379    HE2  HIS  49           HE2      HIS  49  -1.535   4.784   5.851
  380    H    LYS  50           H        LYS  50   1.586  -1.661   7.497
  381    HA   LYS  50           HA       LYS  50   0.978  -3.959   5.777
  382    HB2  LYS  50           HB2      LYS  50   1.846  -3.633   8.655
  383    HB3  LYS  50           HB3      LYS  50   1.125  -5.149   8.099
  384    HG2  LYS  50           HG2      LYS  50   2.775  -5.246   6.239
  385    HG3  LYS  50           HG3      LYS  50   3.613  -3.838   6.928
  386    HD2  LYS  50           HD2      LYS  50   4.075  -5.060   8.979
  387    HD3  LYS  50           HD3      LYS  50   3.040  -6.412   8.461
  388    HE2  LYS  50           HE2      LYS  50   4.520  -6.844   6.546
  389    HE3  LYS  50           HE3      LYS  50   5.597  -5.529   7.070
  390    HZ1  LYS  50           HZ1      LYS  50   5.926  -6.758   9.127
  391    HZ2  LYS  50           HZ2      LYS  50   4.954  -7.971   8.586
  392    HZ3  LYS  50           HZ3      LYS  50   6.378  -7.657   7.825
  393    H    GLY  51           H        GLY  51  -0.820  -5.154   5.745
  394    HA2  GLY  51           HA2      GLY  51  -2.953  -5.864   6.100
  395    HA3  GLY  51           HA3      GLY  51  -2.923  -5.061   7.681
  396    H    PHE  52           H        PHE  52  -2.393  -2.334   6.406
  397    HA   PHE  52           HA       PHE  52  -5.047  -1.966   5.130
  398    HB2  PHE  52           HB2      PHE  52  -5.664  -0.213   6.576
  399    HB3  PHE  52           HB3      PHE  52  -5.348  -1.672   7.515
  400    HD1  PHE  52           HD2      PHE  52  -3.325  -1.819   8.959
  401    HD2  PHE  52           HD1      PHE  52  -4.337   1.765   6.817
  402    HE1  PHE  52           HE2      PHE  52  -1.749  -0.531  10.377
  403    HE2  PHE  52           HE1      PHE  52  -2.766   3.051   8.209
  404    HZ   PHE  52           HZ       PHE  52  -1.460   1.905  10.003
  405    H    ALA  53           H        ALA  53  -5.284   0.207   4.133
  406    HA   ALA  53           HA       ALA  53  -2.846   1.800   3.767
  407    HB1  ALA  53           HB1      ALA  53  -2.719   0.052   2.007
  408    HB2  ALA  53           HB2      ALA  53  -4.319   0.542   1.413
  409    HB3  ALA  53           HB3      ALA  53  -2.953   1.677   1.322
  410    H    PHE  54           H        PHE  54  -3.395   3.775   2.359
  411    HA   PHE  54           HA       PHE  54  -6.226   4.592   2.641
  412    HB2  PHE  54           HB2      PHE  54  -3.855   5.707   4.096
  413    HB3  PHE  54           HB3      PHE  54  -5.058   6.841   3.492
  414    HD1  PHE  54           HD2      PHE  54  -7.528   6.361   3.997
  415    HD2  PHE  54           HD1      PHE  54  -4.259   4.649   6.206
  416    HE1  PHE  54           HE2      PHE  54  -9.051   5.918   5.903
  417    HE2  PHE  54           HE1      PHE  54  -5.781   4.197   8.106
  418    HZ   PHE  54           HZ       PHE  54  -8.174   4.852   7.959
  419    H    VAL  55           H        VAL  55  -6.921   6.139   1.273
  420    HA   VAL  55           HA       VAL  55  -4.991   7.319  -0.654
  421    HB   VAL  55           HB       VAL  55  -7.598   5.898  -1.360
  422   HG11  VAL  55          HG11      VAL  55  -5.674   7.511  -3.076
  423   HG12  VAL  55          HG12      VAL  55  -7.031   6.530  -3.688
  424   HG13  VAL  55          HG13      VAL  55  -7.356   7.954  -2.690
  425   HG21  VAL  55          HG21      VAL  55  -5.686   4.364  -1.056
  426   HG22  VAL  55          HG22      VAL  55  -6.132   4.496  -2.772
  427   HG23  VAL  55          HG23      VAL  55  -4.708   5.364  -2.155
  428    H    GLN  56           H        GLN  56  -5.453   9.406  -1.161
  429    HA   GLN  56           HA       GLN  56  -7.872  10.593   0.112
  430    HB2  GLN  56           HB2      GLN  56  -5.710  11.138   1.228
  431    HB3  GLN  56           HB3      GLN  56  -5.101  11.798  -0.300
  432    HG2  GLN  56           HG2      GLN  56  -5.823  13.631   1.079
  433    HG3  GLN  56           HG3      GLN  56  -6.975  13.472  -0.253
  434   HE21  GLN  56          HE21      GLN  56  -9.121  12.838   0.181
  435   HE22  GLN  56          HE22      GLN  56  -9.750  12.720   1.808
  436    H    TYR  57           H        TYR  57  -9.287  11.013  -1.425
  437    HA   TYR  57           HA       TYR  57  -8.416  11.795  -4.138
  438    HB2  TYR  57           HB2      TYR  57 -11.136  11.258  -2.899
  439    HB3  TYR  57           HB3      TYR  57 -10.901  11.822  -4.549
  440    HD1  TYR  57           HD2      TYR  57  -8.746  10.289  -5.656
  441    HD2  TYR  57           HD1      TYR  57 -11.803   9.057  -2.904
  442    HE1  TYR  57           HE2      TYR  57  -8.641   7.979  -6.579
  443    HE2  TYR  57           HE1      TYR  57 -11.718   6.744  -3.852
  444    HH   TYR  57           HH       TYR  57 -10.761   5.363  -5.343
  445    H    VAL  58           H        VAL  58 -10.118  13.548  -5.065
  446    HA   VAL  58           HA       VAL  58  -9.421  15.992  -3.628
  447    HB   VAL  58           HB       VAL  58 -10.890  15.488  -6.243
  448   HG11  VAL  58          HG11      VAL  58  -9.797  18.068  -5.048
  449   HG12  VAL  58          HG12      VAL  58 -10.381  17.881  -6.720
  450   HG13  VAL  58          HG13      VAL  58 -11.509  17.701  -5.367
  451   HG21  VAL  58          HG21      VAL  58  -8.508  14.781  -6.238
  452   HG22  VAL  58          HG22      VAL  58  -8.765  16.204  -7.267
  453   HG23  VAL  58          HG23      VAL  58  -8.043  16.397  -5.650
  454    H    ASN  59           H        ASN  59 -12.241  13.924  -4.048
  455    HA   ASN  59           HA       ASN  59 -13.805  15.627  -2.229
  456    HB2  ASN  59           HB2      ASN  59 -15.712  15.776  -3.799
  457    HB3  ASN  59           HB3      ASN  59 -14.278  16.613  -4.410
  458   HD21  ASN  59          HD21      ASN  59 -13.939  16.289  -6.530
  459   HD22  ASN  59          HD22      ASN  59 -14.371  14.831  -7.418
  460    H    GLU  60           H        GLU  60 -16.090  14.599  -1.996
  461    HA   GLU  60           HA       GLU  60 -15.719  11.930  -0.985
  462    HB2  GLU  60           HB2      GLU  60 -17.194  13.363   0.186
  463    HB3  GLU  60           HB3      GLU  60 -18.058  13.833  -1.290
  464    HG2  GLU  60           HG2      GLU  60 -19.076  11.650  -1.495
  465    HG3  GLU  60           HG3      GLU  60 -18.054  10.990  -0.220
  466    H    ARG  61           H        ARG  61 -17.195  13.269  -3.933
  467    HA   ARG  61           HA       ARG  61 -18.667  11.005  -4.757
  468    HB2  ARG  61           HB2      ARG  61 -19.194  12.852  -5.971
  469    HB3  ARG  61           HB3      ARG  61 -17.590  13.536  -5.839
  470    HG2  ARG  61           HG2      ARG  61 -17.974  13.157  -8.146
  471    HG3  ARG  61           HG3      ARG  61 -16.762  11.993  -7.618
  472    HD2  ARG  61           HD2      ARG  61 -18.561  10.262  -7.412
  473    HD3  ARG  61           HD3      ARG  61 -19.743  11.456  -7.977
  474    HE   ARG  61           HE       ARG  61 -17.830  11.466  -9.960
  475   HH11  ARG  61          HH11      ARG  61 -19.753   8.925  -8.430
  476   HH12  ARG  61          HH12      ARG  61 -19.775   7.921  -9.863
  477   HH21  ARG  61          HH21      ARG  61 -17.853  10.130 -11.799
  478   HH22  ARG  61          HH22      ARG  61 -18.704   8.602 -11.766
  479    H    ASN  62           H        ASN  62 -15.233  11.851  -5.204
  480    HA   ASN  62           HA       ASN  62 -14.619   9.641  -6.941
  481    HB2  ASN  62           HB2      ASN  62 -13.043  11.547  -5.198
  482    HB3  ASN  62           HB3      ASN  62 -12.247  10.190  -6.019
  483   HD21  ASN  62          HD21      ASN  62 -14.849  12.487  -7.079
  484   HD22  ASN  62          HD22      ASN  62 -14.019  12.938  -8.561
  485    H    ALA  63           H        ALA  63 -14.670  10.068  -3.382
  486    HA   ALA  63           HA       ALA  63 -13.350   7.570  -2.812
  487    HB1  ALA  63           HB1      ALA  63 -15.260   9.204  -1.099
  488    HB2  ALA  63           HB2      ALA  63 -14.193   7.904  -0.541
  489    HB3  ALA  63           HB3      ALA  63 -13.491   9.410  -1.191
  490    H    ARG  64           H        ARG  64 -16.814   8.511  -3.121
  491    HA   ARG  64           HA       ARG  64 -17.844   5.962  -2.341
  492    HB2  ARG  64           HB2      ARG  64 -18.983   8.050  -4.257
  493    HB3  ARG  64           HB3      ARG  64 -19.909   6.730  -3.533
  494    HG2  ARG  64           HG2      ARG  64 -18.540   8.921  -1.924
  495    HG3  ARG  64           HG3      ARG  64 -20.238   8.959  -2.429
  496    HD2  ARG  64           HD2      ARG  64 -20.688   6.906  -1.176
  497    HD3  ARG  64           HD3      ARG  64 -18.981   6.821  -0.674
  498    HE   ARG  64           HE       ARG  64 -20.045   9.382   0.011
  499   HH11  ARG  64          HH11      ARG  64 -20.333   5.994   0.995
  500   HH12  ARG  64          HH12      ARG  64 -20.688   6.408   2.659
  501   HH21  ARG  64          HH21      ARG  64 -20.535   9.872   2.141
  502   HH22  ARG  64          HH22      ARG  64 -20.836   8.599   3.305
  503    H    ALA  65           H        ALA  65 -16.416   7.167  -5.327
  504    HA   ALA  65           HA       ALA  65 -17.563   5.219  -7.094
  505    HB1  ALA  65           HB1      ALA  65 -16.558   7.392  -7.809
  506    HB2  ALA  65           HB2      ALA  65 -14.955   6.777  -7.324
  507    HB3  ALA  65           HB3      ALA  65 -15.842   6.000  -8.650
  508    H    ALA  66           H        ALA  66 -14.504   5.343  -5.191
  509    HA   ALA  66           HA       ALA  66 -13.761   2.697  -6.263
  510    HB1  ALA  66           HB1      ALA  66 -12.357   4.506  -4.273
  511    HB2  ALA  66           HB2      ALA  66 -11.685   3.041  -5.030
  512    HB3  ALA  66           HB3      ALA  66 -12.089   4.456  -6.037
  513    H    VAL  67           H        VAL  67 -15.133   4.101  -3.306
  514    HA   VAL  67           HA       VAL  67 -14.697   1.779  -1.661
  515    HB   VAL  67           HB       VAL  67 -16.443   4.243  -1.468
  516   HG11  VAL  67          HG11      VAL  67 -17.791   2.511  -0.425
  517   HG12  VAL  67          HG12      VAL  67 -16.373   1.880   0.437
  518   HG13  VAL  67          HG13      VAL  67 -17.027   3.489   0.845
  519   HG21  VAL  67          HG21      VAL  67 -13.998   4.382  -1.038
  520   HG22  VAL  67          HG22      VAL  67 -14.950   4.682   0.434
  521   HG23  VAL  67          HG23      VAL  67 -14.161   3.111   0.199
  522    H    ALA  68           H        ALA  68 -17.047   2.616  -4.119
  523    HA   ALA  68           HA       ALA  68 -18.479   0.071  -3.488
  524    HB1  ALA  68           HB1      ALA  68 -19.372   2.433  -5.186
  525    HB2  ALA  68           HB2      ALA  68 -20.323   0.976  -4.821
  526    HB3  ALA  68           HB3      ALA  68 -19.891   2.098  -3.514
  527    H    GLY  69           H        GLY  69 -16.104   1.364  -5.575
  528    HA2  GLY  69           HA2      GLY  69 -16.921  -0.316  -7.870
  529    HA3  GLY  69           HA3      GLY  69 -15.666   0.929  -7.841
  530    H    GLU  70           H        GLU  70 -14.626  -0.393  -5.203
  531    HA   GLU  70           HA       GLU  70 -13.195  -2.686  -6.511
  532    HB2  GLU  70           HB2      GLU  70 -12.089  -0.449  -4.774
  533    HB3  GLU  70           HB3      GLU  70 -11.177  -1.882  -5.259
  534    HG2  GLU  70           HG2      GLU  70 -12.401   0.075  -7.241
  535    HG3  GLU  70           HG3      GLU  70 -10.764   0.230  -6.596
  536    H    ASP  71           H        ASP  71 -14.981  -1.533  -3.730
  537    HA   ASP  71           HA       ASP  71 -13.731  -3.069  -1.726
  538    HB2  ASP  71           HB2      ASP  71 -15.359  -1.376  -1.176
  539    HB3  ASP  71           HB3      ASP  71 -16.606  -2.192  -2.119
  540    H    GLY  72           H        GLY  72 -13.687  -5.162  -1.179
  541    HA2  GLY  72           HA2      GLY  72 -14.367  -7.355  -1.000
  542    HA3  GLY  72           HA3      GLY  72 -15.757  -7.024  -2.047
  543    H    ARG  73           H        ARG  73 -12.708  -5.947  -3.328
  544    HA   ARG  73           HA       ARG  73 -12.879  -8.125  -5.320
  545    HB2  ARG  73           HB2      ARG  73 -11.717  -6.827  -6.800
  546    HB3  ARG  73           HB3      ARG  73 -12.733  -5.655  -5.944
  547    HG2  ARG  73           HG2      ARG  73 -10.868  -4.819  -4.687
  548    HG3  ARG  73           HG3      ARG  73  -9.846  -6.199  -5.128
  549    HD2  ARG  73           HD2      ARG  73 -10.954  -4.273  -7.190
  550    HD3  ARG  73           HD3      ARG  73  -9.387  -4.045  -6.386
  551    HE   ARG  73           HE       ARG  73  -9.554  -6.697  -7.460
  552   HH11  ARG  73          HH11      ARG  73  -9.139  -3.329  -8.464
  553   HH12  ARG  73          HH12      ARG  73  -8.190  -3.746  -9.870
  554   HH21  ARG  73          HH21      ARG  73  -8.342  -7.206  -9.312
  555   HH22  ARG  73          HH22      ARG  73  -7.769  -5.937 -10.369
  556    H    MET  74           H        MET  74 -10.870  -9.211  -6.081
  557    HA   MET  74           HA       MET  74  -9.025  -9.661  -3.807
  558    HB2  MET  74           HB2      MET  74 -10.021 -11.667  -4.623
  559    HB3  MET  74           HB3      MET  74  -9.588 -11.291  -6.307
  560    HG2  MET  74           HG2      MET  74  -7.289 -11.612  -5.930
  561    HG3  MET  74           HG3      MET  74  -7.448 -11.449  -4.177
  562    HE1  MET  74           HE1      MET  74  -9.651 -13.269  -3.204
  563    HE2  MET  74           HE2      MET  74  -8.670 -14.711  -2.842
  564    HE3  MET  74           HE3      MET  74  -8.013 -13.077  -2.556
  565    H    ILE  75           H        ILE  75  -6.906  -9.259  -3.872
  566    HA   ILE  75           HA       ILE  75  -5.594  -8.482  -6.400
  567    HB   ILE  75           HB       ILE  75  -5.463  -6.836  -3.844
  568   HG12  ILE  75          HG12      ILE  75  -6.779  -6.138  -6.502
  569   HG13  ILE  75          HG13      ILE  75  -7.639  -6.557  -5.014
  570   HG21  ILE  75          HG21      ILE  75  -4.104  -5.282  -5.143
  571   HG22  ILE  75          HG22      ILE  75  -3.363  -6.883  -5.168
  572   HG23  ILE  75          HG23      ILE  75  -4.261  -6.307  -6.593
  573   HD11  ILE  75          HD11      ILE  75  -7.632  -4.163  -5.223
  574   HD12  ILE  75          HD12      ILE  75  -6.600  -4.615  -3.862
  575   HD13  ILE  75          HD13      ILE  75  -5.865  -4.126  -5.409
  576    H    ALA  76           H        ALA  76  -3.577  -9.312  -6.494
  577    HA   ALA  76           HA       ALA  76  -1.876 -10.705  -6.025
  578    HB1  ALA  76           HB1      ALA  76  -1.183  -8.585  -4.918
  579    HB2  ALA  76           HB2      ALA  76  -1.827  -9.220  -3.388
  580    HB3  ALA  76           HB3      ALA  76  -0.462 -10.037  -4.180
  581    H    GLY  77           H        GLY  77  -4.699 -11.548  -4.814
  582    HA2  GLY  77           HA2      GLY  77  -5.031 -13.884  -4.380
  583    HA3  GLY  77           HA3      GLY  77  -3.515 -13.924  -3.471
  584    H    GLN  78           H        GLN  78  -5.075 -11.085  -2.511
  585    HA   GLN  78           HA       GLN  78  -6.763 -12.492  -0.487
  586    HB2  GLN  78           HB2      GLN  78  -4.930 -10.103   0.012
  587    HB3  GLN  78           HB3      GLN  78  -6.159 -10.707   1.116
  588    HG2  GLN  78           HG2      GLN  78  -4.318 -11.698   2.017
  589    HG3  GLN  78           HG3      GLN  78  -4.879 -12.987   0.942
  590   HE21  GLN  78          HE21      GLN  78  -3.595 -13.574  -0.829
  591   HE22  GLN  78          HE22      GLN  78  -1.986 -12.914  -1.110
  592    H    VAL  79           H        VAL  79  -8.611 -11.348   0.201
  593    HA   VAL  79           HA       VAL  79  -9.475  -9.219  -1.671
  594    HB   VAL  79           HB       VAL  79 -11.004 -10.770   0.452
  595   HG11  VAL  79          HG11      VAL  79 -11.987  -8.721  -1.589
  596   HG12  VAL  79          HG12      VAL  79 -13.022  -9.739  -0.566
  597   HG13  VAL  79          HG13      VAL  79 -11.967  -8.521   0.176
  598   HG21  VAL  79          HG21      VAL  79 -10.388 -12.113  -1.528
  599   HG22  VAL  79          HG22      VAL  79 -12.133 -11.771  -1.522
  600   HG23  VAL  79          HG23      VAL  79 -11.052 -10.852  -2.597
  601    H    LEU  80           H        LEU  80 -10.066  -7.188  -0.988
  602    HA   LEU  80           HA       LEU  80  -9.065  -6.429   1.711
  603    HB2  LEU  80           HB2      LEU  80  -8.915  -4.097   0.377
  604    HB3  LEU  80           HB3      LEU  80  -7.579  -5.187   0.661
  605    HG   LEU  80           HG       LEU  80  -7.596  -4.322  -1.606
  606   HD11  LEU  80          HD11      LEU  80  -7.108  -6.290  -2.771
  607   HD12  LEU  80          HD12      LEU  80  -6.699  -6.630  -1.080
  608   HD13  LEU  80          HD13      LEU  80  -8.188  -7.287  -1.815
  609   HD21  LEU  80          HD21      LEU  80 -10.052  -4.084  -1.851
  610   HD22  LEU  80          HD22      LEU  80 -10.200  -5.839  -2.020
  611   HD23  LEU  80          HD23      LEU  80  -9.279  -4.909  -3.227
  612    H    ASP  81           H        ASP  81 -10.184  -5.059   2.948
  613    HA   ASP  81           HA       ASP  81 -13.035  -4.774   2.237
  614    HB2  ASP  81           HB2      ASP  81 -12.283  -5.840   4.438
  615    HB3  ASP  81           HB3      ASP  81 -11.584  -4.286   4.879
  616    H    ILE  82           H        ILE  82 -13.259  -2.965   0.954
  617    HA   ILE  82           HA       ILE  82 -11.779  -0.527   1.755
  618    HB   ILE  82           HB       ILE  82 -13.290  -1.196  -0.786
  619   HG12  ILE  82          HG12      ILE  82 -10.285  -0.910  -0.397
  620   HG13  ILE  82          HG13      ILE  82 -11.107  -2.474  -0.282
  621   HG21  ILE  82          HG21      ILE  82 -11.468   1.160  -0.148
  622   HG22  ILE  82          HG22      ILE  82 -12.293   0.859  -1.692
  623   HG23  ILE  82          HG23      ILE  82 -13.245   1.234  -0.252
  624   HD11  ILE  82          HD11      ILE  82 -11.224  -0.655  -2.724
  625   HD12  ILE  82          HD12      ILE  82 -10.217  -2.112  -2.556
  626   HD13  ILE  82          HD13      ILE  82 -11.984  -2.253  -2.536
  627    H    ASN  83           H        ASN  83 -12.799   1.319   2.379
  628    HA   ASN  83           HA       ASN  83 -15.716   1.521   2.318
  629    HB2  ASN  83           HB2      ASN  83 -15.061  -0.014   4.271
  630    HB3  ASN  83           HB3      ASN  83 -14.276   1.397   4.998
  631   HD21  ASN  83          HD21      ASN  83 -15.595   3.126   5.833
  632   HD22  ASN  83          HD22      ASN  83 -17.312   2.889   6.058
  633    H    LEU  84           H        LEU  84 -16.435   3.676   3.214
  634    HA   LEU  84           HA       LEU  84 -14.567   5.769   2.618
  635    HB2  LEU  84           HB2      LEU  84 -17.334   5.610   3.171
  636    HB3  LEU  84           HB3      LEU  84 -16.652   6.529   4.520
  637    HG   LEU  84           HG       LEU  84 -15.358   7.822   2.573
  638   HD11  LEU  84          HD11      LEU  84 -17.820   6.721   1.175
  639   HD12  LEU  84          HD12      LEU  84 -16.786   8.035   0.566
  640   HD13  LEU  84          HD13      LEU  84 -16.125   6.397   0.739
  641   HD21  LEU  84          HD21      LEU  84 -18.301   8.168   3.266
  642   HD22  LEU  84          HD22      LEU  84 -17.283   9.403   2.481
  643   HD23  LEU  84          HD23      LEU  84 -16.911   8.854   4.136
  644    H    ALA  85           H        ALA  85 -13.574   7.281   4.202
  645    HA   ALA  85           HA       ALA  85 -12.327   5.667   6.258
  646    HB1  ALA  85           HB1      ALA  85 -12.018   8.606   5.581
  647    HB2  ALA  85           HB2      ALA  85 -10.913   7.626   6.583
  648    HB3  ALA  85           HB3      ALA  85 -11.098   7.263   4.843
  649    H    ALA  86           H        ALA  86 -15.200   7.428   6.311
  650    HA   ALA  86           HA       ALA  86 -14.952   7.804   9.257
  651    HB1  ALA  86           HB1      ALA  86 -16.339   9.820   9.037
  652    HB2  ALA  86           HB2      ALA  86 -14.827   9.952   8.110
  653    HB3  ALA  86           HB3      ALA  86 -16.363   9.622   7.269
  654    H    GLU  87           H        GLU  87 -16.206   5.724   7.223
  655    HA   GLU  87           HA       GLU  87 -18.785   5.581   8.701
  656    HB2  GLU  87           HB2      GLU  87 -18.438   5.042   5.732
  657    HB3  GLU  87           HB3      GLU  87 -19.935   4.887   6.680
  658    HG2  GLU  87           HG2      GLU  87 -19.739   7.340   7.247
  659    HG3  GLU  87           HG3      GLU  87 -18.386   7.439   6.109
  660    HA   PRO  88           HA       PRO  88 -16.467   1.468   8.467
  661    HB2  PRO  88           HB2      PRO  88 -15.467   1.230  11.001
  662    HB3  PRO  88           HB3      PRO  88 -14.595   2.112   9.713
  663    HG2  PRO  88           HG2      PRO  88 -16.423   3.276  11.842
  664    HG3  PRO  88           HG3      PRO  88 -14.758   3.795  11.403
  665    HD2  PRO  88           HD2      PRO  88 -16.946   5.043  10.383
  666    HD3  PRO  88           HD3      PRO  88 -15.489   4.748   9.377
  667    H    LYS  89           H        LYS  89 -18.807   1.036   8.247
  668    HA   LYS  89           HA       LYS  89 -20.343   0.564  10.692
  669    HB2  LYS  89           HB2      LYS  89 -20.892  -0.055   7.763
  670    HB3  LYS  89           HB3      LYS  89 -22.047  -0.308   9.087
  671    HG2  LYS  89           HG2      LYS  89 -21.969   2.101   9.634
  672    HG3  LYS  89           HG3      LYS  89 -20.814   2.373   8.314
  673    HD2  LYS  89           HD2      LYS  89 -22.482   1.537   6.677
  674    HD3  LYS  89           HD3      LYS  89 -23.644   1.291   7.995
  675    HE2  LYS  89           HE2      LYS  89 -23.542   3.704   8.538
  676    HE3  LYS  89           HE3      LYS  89 -22.370   3.953   7.238
  677    HZ1  LYS  89           HZ1      LYS  89 -24.046   3.220   5.675
  678    HZ2  LYS  89           HZ2      LYS  89 -25.131   2.985   6.886
  679    HZ3  LYS  89           HZ3      LYS  89 -24.601   4.499   6.546
  680    H    VAL  90           H        VAL  90 -17.898  -1.106   9.086
  681    HA   VAL  90           HA       VAL  90 -18.896  -3.785   9.821
  682    HB   VAL  90           HB       VAL  90 -17.786  -3.419   7.647
  683   HG11  VAL  90          HG11      VAL  90 -16.162  -1.672   8.332
  684   HG12  VAL  90          HG12      VAL  90 -15.299  -2.884   9.316
  685   HG13  VAL  90          HG13      VAL  90 -15.357  -3.044   7.549
  686   HG21  VAL  90          HG21      VAL  90 -17.716  -5.642   8.753
  687   HG22  VAL  90          HG22      VAL  90 -16.308  -5.331   7.723
  688   HG23  VAL  90          HG23      VAL  90 -16.147  -5.210   9.485
  689    H    ASN  91           H        ASN  91 -17.587  -5.206  11.178
  690    HA   ASN  91           HA       ASN  91 -17.092  -3.795  13.645
  691    HB2  ASN  91           HB2      ASN  91 -16.580  -6.733  13.096
  692    HB3  ASN  91           HB3      ASN  91 -17.025  -5.972  14.630
  693   HD21  ASN  91          HD21      ASN  91 -18.151  -7.178  11.538
  694   HD22  ASN  91          HD22      ASN  91 -19.867  -7.065  11.881
  695    H    ARG  92           H        ARG  92 -15.078  -4.415  11.052
  696    HA   ARG  92           HA       ARG  92 -12.834  -4.794  10.751
  697    HB2  ARG  92           HB2      ARG  92 -12.952  -2.638  12.877
  698    HB3  ARG  92           HB3      ARG  92 -11.411  -3.176  12.180
  699    HG2  ARG  92           HG2      ARG  92 -12.211  -2.698   9.916
  700    HG3  ARG  92           HG3      ARG  92 -13.769  -2.133  10.566
  701    HD2  ARG  92           HD2      ARG  92 -11.089  -0.939  11.356
  702    HD3  ARG  92           HD3      ARG  92 -12.074  -0.306  10.037
  703    HE   ARG  92           HE       ARG  92 -13.910  -0.339  12.005
  704   HH11  ARG  92          HH11      ARG  92 -10.572   0.863  12.073
  705   HH12  ARG  92          HH12      ARG  92 -10.931   2.069  13.285
  706   HH21  ARG  92          HH21      ARG  92 -14.320   1.245  13.572
  707   HH22  ARG  92          HH22      ARG  92 -13.027   2.287  14.123
  708    H    GLY  93           H        GLY  93 -13.336  -7.016  11.634
  709    HA2  GLY  93           HA2      GLY  93 -12.483  -7.766  14.248
  710    HA3  GLY  93           HA3      GLY  93 -12.692  -8.833  12.831
  711    H    LYS  94           H        LYS  94 -10.604  -6.540  11.778
  712    HA   LYS  94           HA       LYS  94  -8.471  -6.590  11.138
  713    HB2  LYS  94           HB2      LYS  94  -7.907  -7.507  13.958
  714    HB3  LYS  94           HB3      LYS  94  -6.794  -6.686  12.834
  715    HG2  LYS  94           HG2      LYS  94  -8.460  -4.755  12.776
  716    HG3  LYS  94           HG3      LYS  94  -9.321  -5.551  14.108
  717    HD2  LYS  94           HD2      LYS  94  -6.418  -4.649  14.163
  718    HD3  LYS  94           HD3      LYS  94  -7.780  -3.825  14.948
  719    HE2  LYS  94           HE2      LYS  94  -8.202  -5.841  16.331
  720    HE3  LYS  94           HE3      LYS  94  -6.838  -6.660  15.552
  721    HZ1  LYS  94           HZ1      LYS  94  -6.659  -4.195  17.149
  722    HZ2  LYS  94           HZ2      LYS  94  -6.214  -5.698  17.651
  723    HZ3  LYS  94           HZ3      LYS  94  -5.392  -4.964  16.438
  724    H    ALA  95           H        ALA  95 -10.030  -9.386  11.356
  725    HA   ALA  95           HA       ALA  95  -7.918 -10.730   9.915
  726    HB1  ALA  95           HB1      ALA  95  -8.951 -11.946  12.517
  727    HB2  ALA  95           HB2      ALA  95  -7.824 -12.716  11.371
  728    HB3  ALA  95           HB3      ALA  95  -7.316 -11.279  12.270
  729    H    GLY  96           H        GLY  96  -8.958 -13.322  10.096
  730    HA2  GLY  96           HA2      GLY  96 -11.301 -14.280   9.741
  731    HA3  GLY  96           HA3      GLY  96 -11.447 -13.006   8.500
  732    H    VAL  97           H        VAL  97  -8.268 -13.716   8.525
  733    HA   VAL  97           HA       VAL  97  -8.481 -15.419   6.137
  734    HB   VAL  97           HB       VAL  97  -6.043 -14.092   7.377
  735   HG11  VAL  97          HG11      VAL  97  -6.667 -15.051   4.552
  736   HG12  VAL  97          HG12      VAL  97  -5.186 -14.199   5.044
  737   HG13  VAL  97          HG13      VAL  97  -5.531 -15.814   5.696
  738   HG21  VAL  97          HG21      VAL  97  -7.712 -12.362   6.964
  739   HG22  VAL  97          HG22      VAL  97  -6.448 -12.259   5.728
  740   HG23  VAL  97          HG23      VAL  97  -8.017 -12.999   5.329
  741    H    LYS  98           H        LYS  98  -7.547 -15.592   9.488
  742    HA   LYS  98           HA       LYS  98  -5.928 -18.022   9.182
  743    HB2  LYS  98           HB2      LYS  98  -6.925 -16.495  11.617
  744    HB3  LYS  98           HB3      LYS  98  -5.820 -17.877  11.676
  745    HG2  LYS  98           HG2      LYS  98  -5.277 -15.221  10.280
  746    HG3  LYS  98           HG3      LYS  98  -4.632 -15.729  11.846
  747    HD2  LYS  98           HD2      LYS  98  -3.573 -17.711  10.709
  748    HD3  LYS  98           HD3      LYS  98  -4.051 -17.027   9.142
  749    HE2  LYS  98           HE2      LYS  98  -2.332 -15.625  11.227
  750    HE3  LYS  98           HE3      LYS  98  -1.709 -16.465   9.799
  751    HZ1  LYS  98           HZ1      LYS  98  -3.515 -14.136   9.750
  752    HZ2  LYS  98           HZ2      LYS  98  -1.903 -14.112   9.425
  753    HZ3  LYS  98           HZ3      LYS  98  -2.926 -14.920   8.427
  754    H    ARG  99           H        ARG  99  -6.380 -19.974  10.361
  755    HA   ARG  99           HA       ARG  99  -9.253 -20.723  10.225
  756    HB2  ARG  99           HB2      ARG  99  -6.635 -22.135   9.872
  757    HB3  ARG  99           HB3      ARG  99  -7.956 -23.054  10.604
  758    HG2  ARG  99           HG2      ARG  99  -7.925 -23.383   8.198
  759    HG3  ARG  99           HG3      ARG  99  -9.418 -22.572   8.698
  760    HD2  ARG  99           HD2      ARG  99  -8.495 -20.399   7.978
  761    HD3  ARG  99           HD3      ARG  99  -6.962 -21.192   7.540
  762    HE   ARG  99           HE       ARG  99  -9.015 -22.533   6.158
  763   HH11  ARG  99          HH11      ARG  99  -7.592 -19.284   6.220
  764   HH12  ARG  99          HH12      ARG  99  -7.955 -18.986   4.537
  765   HH21  ARG  99          HH21      ARG  99  -9.482 -22.090   3.984
  766   HH22  ARG  99          HH22      ARG  99  -9.037 -20.554   3.283
  767    H    SER 100           H        SER 100 -10.023 -22.282  11.844
  768    HA   SER 100           HA       SER 100  -9.585 -21.236  14.518
  769    HB2  SER 100           HB2      SER 100 -11.815 -21.881  13.703
  770    HB3  SER 100           HB3      SER 100 -11.247 -23.548  13.453
  771    HG   SER 100           HG       SER 100 -12.337 -23.234  15.467
  772    H    ALA 101           H        ALA 101  -8.910 -22.491  16.359
  773    HA   ALA 101           HA       ALA 101  -6.636 -24.149  15.825
  774    HB1  ALA 101           HB1      ALA 101  -8.189 -23.683  18.403
  775    HB2  ALA 101           HB2      ALA 101  -6.557 -24.389  18.282
  776    HB3  ALA 101           HB3      ALA 101  -6.834 -22.699  17.808
  777    H    ALA 102           H        ALA 102  -9.876 -24.885  15.558
  778    HA   ALA 102           HA       ALA 102  -9.451 -27.767  16.205
  779    HB1  ALA 102           HB1      ALA 102 -11.989 -26.111  15.996
  780    HB2  ALA 102           HB2      ALA 102 -11.910 -27.846  16.407
  781    HB3  ALA 102           HB3      ALA 102 -11.221 -26.643  17.518
  782    H    GLU 103           H        GLU 103  -9.531 -25.574  13.667
  783    HA   GLU 103           HA       GLU 103 -10.448 -27.667  11.752
  784    HB2  GLU 103           HB2      GLU 103 -10.797 -24.647  11.552
  785    HB3  GLU 103           HB3      GLU 103 -11.258 -25.828  10.313
  786    HG2  GLU 103           HG2      GLU 103 -12.811 -26.903  11.931
  787    HG3  GLU 103           HG3      GLU 103 -12.399 -25.666  13.131
  788    H    MET 104           H        MET 104  -7.745 -26.426  12.934
  789    HA   MET 104           HA       MET 104  -6.492 -26.054  10.264
  790    HB2  MET 104           HB2      MET 104  -4.985 -24.523  11.147
  791    HB3  MET 104           HB3      MET 104  -6.569 -24.063  11.778
  792    HG2  MET 104           HG2      MET 104  -5.970 -25.341  13.902
  793    HG3  MET 104           HG3      MET 104  -4.330 -25.472  13.245
  794    HE1  MET 104           HE1      MET 104  -4.845 -22.375  11.674
  795    HE2  MET 104           HE2      MET 104  -3.724 -21.469  12.715
  796    HE3  MET 104           HE3      MET 104  -3.263 -23.076  12.098
  797    H    TYR 105           H        TYR 105  -3.886 -26.327  10.756
  798    HA   TYR 105           HA       TYR 105  -3.542 -29.131  10.704
  799    HB2  TYR 105           HB2      TYR 105  -1.437 -27.009  11.210
  800    HB3  TYR 105           HB3      TYR 105  -1.196 -28.597  10.477
  801    HD1  TYR 105           HD1      TYR 105  -2.210 -29.053   8.186
  802    HD2  TYR 105           HD2      TYR 105  -2.077 -25.126   9.938
  803    HE1  TYR 105           HE1      TYR 105  -2.596 -28.044   5.950
  804    HE2  TYR 105           HE2      TYR 105  -2.478 -24.111   7.715
  805    HH   TYR 105           HH       TYR 105  -2.849 -26.107   4.755
  806    H    GLY 106           H        GLY 106  -3.735 -27.031  13.438
  807    HA2  GLY 106           HA2      GLY 106  -3.580 -27.475  15.693
  808    HA3  GLY 106           HA3      GLY 106  -3.304 -29.184  15.308
  809    H5'    A   1           H5'        A   1   0.541 -12.736   8.068
  810   H5''    A   1          H5''        A   1   1.974 -12.991   7.051
  811    H4'    A   1           H4'        A   1   2.155 -12.385  10.040
  812    H3'    A   1           H3'        A   1   1.060 -10.529   8.425
  813    H2'    A   1           H2'        A   1   2.528 -10.860   6.582
  814   HO2'    A   1          HO2'        A   1   2.558  -8.603   7.159
  815    H1'    A   1           H1'        A   1   4.917 -10.675   8.351
  816    H8     A   1           H8         A   1   5.222 -10.095   5.461
  817    H61    A   1           H61        A   1   6.894 -15.576   3.081
  818    H62    A   1           H62        A   1   6.854 -13.844   2.805
  819    H2     A   1           H2         A   1   5.125 -16.347   7.002
  820    H5'    U   2           H5'        U   2   1.284  -7.394   9.144
  821   H5''    U   2          H5''        U   2   0.730  -6.828  10.735
  822    H4'    U   2           H4'        U   2  -0.741  -5.800   9.216
  823    H3'    U   2           H3'        U   2  -1.796  -7.609  11.080
  824    H2'    U   2           H2'        U   2  -1.887  -9.387   9.400
  825   HO2'    U   2          HO2'        U   2  -4.007  -9.081  10.361
  826    H1'    U   2           H1'        U   2  -3.009  -7.231   7.601
  827    H3     U   2           H3         U   2  -4.230 -10.450   4.641
  828    H5     U   2           H5         U   2  -0.431 -11.707   5.957
  829    H6     U   2           H6         U   2  -0.334  -9.761   7.372
  830    H5'    U   3           H5'        U   3  -5.462  -3.961  11.575
  831   H5''    U   3          H5''        U   3  -5.659  -5.104  10.239
  832    H4'    U   3           H4'        U   3  -5.573  -2.126   9.622
  833    H3'    U   3           H3'        U   3  -7.303  -3.119  11.584
  834    H2'    U   3           H2'        U   3  -8.278  -4.805  10.481
  835   HO2'    U   3          HO2'        U   3  -9.674  -2.491   9.609
  836    H1'    U   3           H1'        U   3  -8.471  -3.659   7.848
  837    H3     U   3           H3         U   3  -5.851  -8.193   7.675
  838    H5     U   3           H5         U   3  -9.919  -8.149   8.738
  839    H6     U   3           H6         U   3  -9.735  -5.759   9.036
  840    H5'    U   4           H5'        U   4  -6.214   0.472   9.719
  841   H5''    U   4          H5''        U   4  -4.960   1.000  10.837
  842    H4'    U   4           H4'        U   4  -5.724   3.041  10.273
  843    H3'    U   4           H3'        U   4  -7.052   2.234  12.740
  844    H2'    U   4           H2'        U   4  -9.191   2.557  11.899
  845   HO2'    U   4          HO2'        U   4  -8.826   4.442  13.230
  846    H1'    U   4           H1'        U   4  -8.020   4.508   9.905
  847    H3     U   4           H3         U   4 -12.208   5.330   8.426
  848    H5     U   4           H5         U   4 -11.992   1.126   8.460
  849    H6     U   4           H6         U   4  -9.775   1.303   9.433
  850    H5'    U   5           H5'        U   5  -3.780   3.238  10.607
  851   H5''    U   5          H5''        U   5  -2.436   3.438  11.742
  852    H4'    U   5           H4'        U   5  -1.614   4.194   9.653
  853    H3'    U   5           H3'        U   5  -1.653   5.919  11.786
  854    H2'    U   5           H2'        U   5  -3.577   7.119  11.167
  855   HO2'    U   5          HO2'        U   5  -1.436   8.452  10.829
  856    H1'    U   5           H1'        U   5  -2.752   7.026   8.262
  857    H3     U   5           H3         U   5  -6.557   8.914   6.880
  858    H5     U   5           H5         U   5  -7.759   6.922  10.390
  859    H6     U   5           H6         U   5  -5.474   6.118  10.633
  860    H5'    U   6           H5'        U   6   1.639   5.311   8.842
  861   H5''    U   6          H5''        U   6   3.019   5.554   9.911
  862    H4'    U   6           H4'        U   6   3.718   5.444   7.562
  863    H3'    U   6           H3'        U   6   4.628   7.280   9.398
  864    H2'    U   6           H2'        U   6   3.150   9.020   8.834
  865   HO2'    U   6          HO2'        U   6   4.301  10.450   7.381
  866    H1'    U   6           H1'        U   6   3.322   8.571   5.872
  867    H3     U   6           H3         U   6   0.805  12.329   6.366
  868    H5     U   6           H5         U   6  -1.600   9.155   7.701
  869    H6     U   6           H6         U   6   0.361   7.745   7.691
  870    H5'    C   7           H5'        C   7   7.460   8.387   9.117
  871   H5''    C   7          H5''        C   7   8.897   7.352   8.980
  872    H4'    C   7           H4'        C   7   7.308   7.733  11.558
  873    H3'    C   7           H3'        C   7   9.246   9.495  10.249
  874    H2'    C   7           H2'        C   7  11.028   9.388  11.805
  875   HO2'    C   7          HO2'        C   7   9.780   9.687  13.692
  876    H1'    C   7           H1'        C   7  10.989   6.778  12.406
  877    H41    C   7           H41        C   7  13.129   5.434   6.520
  878    H42    C   7           H42        C   7  13.351   7.155   6.264
  879    H5     C   7           H5         C   7  12.560   8.838   7.840
  880    H6     C   7           H6         C   7  11.432   9.197   9.930